*HEADER   TOXIN                                   16-AUG-95   1ECI    
*TITLE    ECTATOMIN (WATER SOLUTION, NMR 20 STRUCTURES)               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ECTATOMIN;                                       
*COMPND  3 CHAIN: A, B                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ECTATOMMA TUBERCULATUM;               
*SOURCE  3 ORGANISM_COMMON: ANT;                                      
*SOURCE  4 TISSUE: VENOM                                              
*KEYWDS   PORE-FORMING TOXINS, ANT VENOMS                             
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   D.E.NOLDE,A.G.SOBOL,K.A.PLUZHNIKOV,A.S.ARSENIEV,E.V.GRISHIN 
*REVDAT  1   07-DEC-95 1ECI    0                                      

# EXPERIMENTAL DATA, UPPER AND LOWER LIMIT DISTANCE AND DIHEDRAL ANGLE 
# RESTRAINTS FOR ECTATOMIN IN AQUEOUS SOLUTION  
# 
# !!!! RESIDUE NUMBER RANGE 41 - 74 CORRESPONDS TO B-CHAIN OF ECTATOMIN !!!
#
# PDB ENTRY *1ECI*                                        14-AUG-1995
# 
#   
-------------------------------------------------------------------------
I.	THIS SECTION CONTAINS EXPERIMENTAL DATA: INTENSITIES OF NOESY
	CROSS-PEAKS (MIXING TIME 200 ms, 10 DEGREES CELCIUM) IN 
        MARDIGRAS-INPUT-FILE FORMAT AND SLOWLY EXCHANGING AMIDE PROTONS
-------------------------------------------------------------------------
#
# VOLUMES OF UNAMBIGIOUSLY ASSIGNED NOESY CROSS-PEAKS IN MARDIGRAS
# FORMAT (FORMAT(2(A4,I3,1X),F9.5))
#
-------------------------------------------------------------------------
HEADER  Input cross-peak intensities for MARDIGRAS program
REMARK CORRELATION TIME: ISOTROPIC       6.000nsec 
MIXING TIME:  0.200 
REMARK This file contain experimental data                
ATOM1   ATOM2    INTENSITY 
QA    1 HN    2   0.20667
QA    1 HB    2   0.02240
HN    2 HA    2   0.04778
HN    2 HB    2   0.12000
HN    2 MG1   2   0.07000
HA    2 HB    2   0.23240
HA    2 MG2   2   0.07660
HA    2 MG1   2   0.06490
HB    2 MG1   2   0.11660
HB    2 MG2   2   0.11950
HB    2 HN    3   0.05833
MG2   2 HN    3   0.02922
HN    3 HB    3   0.08889
HN    3 HG12  3   0.02556
HN    3 MD1   3   0.03078
HN    3 MG2   3   0.03222
HN    3 HG11  3   0.02556
HN    3 HNE1  8   0.02136
HA    3 MG2   3   0.06230
HA    3 HG12  3   0.08580
HA    3 MD1   3   0.03240
HA    3 HG11  3   0.05990
HB    3 MG2   3   0.23770
HB    3 MD1   3   0.07740
HB    3 HD1   8   0.05720
HB    3 HNE1  8   0.11600
MG2   3 MD1   3   0.15670
MG2   3 HG12  3   0.05810
MG2   3 HG11  3   0.06680
MG2   3 HD1   4   0.04990
MG2   3 HD2   4   0.04500
MG2   3 HN    7   0.03089
MG2   3 MG2   7   0.12680
MG2   3 HG12  7   0.04870
MG2   3 MD1   7   0.01570
MG2   3 HN    8   0.04222
MG2   3 HD1   8   0.04870
MD1   3 HNE1  8   0.01578
MG2   3 HNE1  8   0.05922
MD1   3 HZ2   8   0.06730
MG2   3 HZ2   8   0.03440
MD1   3 MG2  48   0.03640
MG2   3 MD1  49   0.05100
MD1   3 MD1  49   0.10120
HG11  3 HG12  3   0.13900
HG11  3 MD1   3   0.19550
HA    4 QB    4   0.11150
HA    4 HG1   4   0.04340
HA    4 HG2   4   0.08840
HA    4 HN    5   0.18789
QB    4 HG2   4   0.26070
QB    4 HD1   4   0.01860
QB    4 HN    5   0.04533
HG1   4 QB    4   0.01990
HG1   4 HD2   4   0.02330
HG2   4 HD2   4   0.05450
HG1   4 HD1   4   0.05010
HG2   4 HN    7   0.03656
HD1   4 HD2   4   0.13320
HD2   4 HG12  7   0.02080
HD2   4 MD1   7   0.01980
HD2   4 MG2  48   0.01860
HN    5 HA    5   0.07233
HN    5 HB1   5   0.13256
HN    5 HB2   5   0.10900
HN    5 HG2   5   0.03289
HN    5 HD1   8   0.03478
HA    5 HB2   5   0.10370
HA    5 HG2   5   0.07070
HA    5 HN    8   0.02789
HA    5 HB1   8   0.05630
HB1   5 HA    5   0.04560
HB1   5 HB2   5   0.19400
HG1   5 HN    9   0.01778
HN    6 HA    6   0.08744
HN    6 QB    6   0.16244
HN    6 QG    6   0.07933
HN    6 QD    6   0.06800
HN    6 HN    7   0.07321
HA    6 QG    6   0.22170
HA    6 QD    6   0.13450
HA    6 HN    9   0.03067
QG    6 QE    6   0.16260
QG    6 HN    9   0.02511
QD    6 QG    6   0.19890
QD    6 QE    6   0.22790
HN    7 HA    7   0.05733
HN    7 HB    7   0.13256
HN    7 HG11  7   0.04667
HN    7 HG12  7   0.06067
HN    7 MG2   7   0.04978
HN    7 MD1   7   0.03244
HN    7 HN    8   0.05840
HA    7 HB    7   0.03230
HA    7 HG12  7   0.04340
HA    7 HG11  7   0.03050
HA    7 MG2   7   0.10430
HA    7 MD1   7   0.11040
HA    7 HN    8   0.01144
HA    7 HN   10   0.02733
HA    7 HN   11   0.01422
HA    7 MG2  45   0.03990
HB    7 HG12  7   0.08430
HB    7 MG2   7   0.15730
HB    7 HG11  7   0.11090
HB    7 MD1   7   0.05970
HB    7 HN    8   0.08711
MG2   7 HG11  7   0.05130
HG12  7 MG2   7   0.09710
MG2   7 MD1   7   0.18460
HG12  7 MD1   7   0.09770
HG11  7 MD1   7   0.05490
MG2   7 HN    8   0.03378
MG2   7 MG2  11   0.06020
MG2   7 MG1  11   0.04980
MG2   7 HA   45   0.03660
MG2   7 MG2  45   0.03330
MG2   7 HB   48   0.04420
MG2   7 MG2  48   0.10280
MD1   7 HA   45   0.12050
MD1   7 MG2  45   0.01220
MD1   7 HN   48   0.03144
MD1   7 MG2  48   0.10150
HN    8 HA    8   0.02956
HN    8 HB1   8   0.04733
HN    8 HB2   8   0.04056
HN    8 HN    9   0.05235
HA    8 HE3   8   0.10900
HA    8 HN   11   0.01667
HA    8 MG2  11   0.09600
HB1   8 HB2   8   0.14210
HB1   8 HD1   8   0.07510
HB2   8 HE3   8   0.04160
HB1   8 HN    9   0.04522
HB2   8 HN    9   0.03500
HD1   8 HB2   8   0.02930
HD1   8 HNE1  8   0.17467
HNE1  8 HZ2   8   0.07911
HE3   8 HZ3   8   0.13310
HE3   8 MG2  11   0.10210
HE3   8 MD1  30   0.02420
HZ2   8 HH2   8   0.11240
HZ3   8 MG2  11   0.04100
HZ2   8 RE   29   0.04060
HZ3   8 HA   30   0.02840
HZ3   8 HG11 30   0.04130
HZ3   8 MG2  30   0.08070
HZ3   8 MD1  30   0.09240
HZ2   8 HG1  33   0.03300
HZ2   8 HG2  33   0.05620
HZ3   8 MD1  49   0.03800
HH2   8 HZ3   8   0.16670
HH2   8 MG2  11   0.03930
HH2   8 HA   30   0.03120
HH2   8 HG11 30   0.04120
HH2   8 HG12 30   0.03600
HH2   8 MD1  30   0.05420
HH2   8 MD1  49   0.02820
HH2   8 MG2  52   0.03230
HN    9 HA    9   0.06011
HN    9 HB1   9   0.05800
HN    9 HB2   9   0.04622
HN    9 HG1   9   0.04622
HN    9 HG2   9   0.05533
HN    9 HN   10   0.06654
HA    9 HB1   9   0.04840
HA    9 HB2   9   0.08530
HA    9 HG2   9   0.03710
HA    9 HG1   9   0.05670
HA    9 HN   12   0.01078
HB2   9 HG2   9   0.05490
HB2   9 HG1   9   0.06440
HB1   9 HG2   9   0.03050
HB1   9 HG1   9   0.02610
HB2   9 HN   10   0.02911
HB1   9 HN   10   0.03722
HN   10 HA   10   0.05567
HN   10 HB   10   0.12144
HN   10 MG2  10   0.05589
HN   10 HN   11   0.07506
HN   10 HN   12   0.01667
HB   10 MG2  10   0.10940
HB   10 HN   11   0.05889
MG2  10 HN   11   0.02722
MG2  10 MG1  11   0.08700
MG2  10 HD1  41   0.05240
MG2  10 HNE1 41   0.02622
MG2  10 HZ2  41   0.04800
MG2  10 MG1  45   0.07920
HN   11 HA   11   0.04311
HN   11 HB   11   0.02667
HN   11 MG1  11   0.08756
HN   11 MG2  11   0.10444
HN   11 HN   12   0.07691
HA   11 HB   11   0.10540
HA   11 MG1  11   0.11560
HA   11 MG2  11   0.05470
HA   11 HN   12   0.02056
HA   11 HN   14   0.02311
HA   11 HB   14   0.03890
HA   11 HNE1 41   0.04500
HB   11 MG2  11   0.14680
HB   11 MG1  11   0.14510
HB   11 HZ2  41   0.03490
HB   11 HH2  41   0.02020
MG1  11 MG2  11   0.20050
MG2  11 HN   12   0.06500
MG1  11 HN   12   0.01911
MG2  11 HA   12   0.04870
MG2  11 HB   15   0.04170
MG1  11 HNE1 41   0.02356
MG1  11 HZ2  41   0.03370
MG1  11 MG1  45   0.14630
MG1  11 MG2  45   0.05590
MG1  11 HB   48   0.03450
MG1  11 MG2  49   0.10340
MG1  11 HG11 49   0.03240
MG1  11 MD1  49   0.01830
MG1  11 MD1  53   0.03520
HN   12 HA   12   0.03444
HN   12 HB1  12   0.07378
HN   12 HB2  12   0.05233
HN   12 HD2  13   0.03711
HN   12 HD1  13   0.03878
HA   12 HB1  12   0.02630
HA   12 HB2  12   0.05270
HA   12 HN   15   0.03089
HA   12 HN   16   0.03089
HB1  12 HD1  13   0.02870
HB1  12 MD2  37   0.03000
HA   13 HB1  13   0.11050
HA   13 HB2  13   0.11090
HA   13 HG2  13   0.02750
HA   13 HG1  13   0.06630
HA   13 HD1  13   0.01780
HA   13 HD2  13   0.03150
HB2  13 HB1  13   0.20200
HB1  13 HG2  13   0.02300
HB2  13 HG1  13   0.03740
HB2  13 HD1  13   0.01910
HB1  13 HD2  13   0.05450
HB1  13 HD1  13   0.01730
HB2  13 HD2  13   0.03030
HB2  13 HN   14   0.01856
HB1  13 HN   14   0.05956
HG2  13 HG1  13   0.19590
HG2  13 HD2  13   0.05640
HG1  13 HD1  13   0.03770
HG2  13 HD1  13   0.04680
HG1  13 HN   14   0.04767
HD2  13 HG1  13   0.12600
HD1  13 HN   14   0.01622
HD2  13 HN   14   0.02533
HN   14 HA   14   0.06844
HN   14 HB   14   0.07522
HN   14 MG2  14   0.08489
HN   14 HN   15   0.11753
HN   14 MG1  15   0.03178
HN   14 HN   16   0.02654
HA   14 MG2  14   0.12510
HA   14 HN   15   0.01900
HB   14 MG2  14   0.12230
HB   14 HN   15   0.06500
HB   14 HZ2  41   0.08720
MG2  14 HN   15   0.03689
MG2  14 HA   15   0.03580
MG2  14 MG1  15   0.06580
MG2  14 HNE1 18   0.01856
MG2  14 HZ3  18   0.01880
MG2  14 HH2  18   0.04110
MG2  14 HZ2  41   0.09470
MG2  14 HH2  41   0.03010
MG2  14 MD1  53   0.05410
HN   15 HA   15   0.04633
HN   15 HB   15   0.04567
HN   15 MG1  15   0.06867
HN   15 HN   16   0.06889
HA   15 HB   15   0.12990
HA   15 HN   16   0.01933
HA   15 HN   18   0.03456
HA   15 HE3  18   0.12800
HA   15 HZ3  18   0.02000
HA   15 HN   19   0.01078
HA   15 MD1  53   0.12700
HB   15 MG1  15   0.11710
HB   15 HE3  18   0.03920
MG1  15 HN   16   0.01656
MG1  15 HH2  18   0.07370
MG1  15 HZ3  41   0.03160
HN   16 HA   16   0.05867
HN   16 HB2  16   0.12178
HN   16 HB1  16   0.08056
HN   16 QG   16   0.08056
HN   16 HD1  17   0.08033
HN   16 HD2  17   0.06978
HA   16 HB1  16   0.02960
HA   16 HD1  17   0.02700
HA   16 HN   19   0.02356
HB2  16 QG   16   0.15120
HB2  16 HD2  17   0.14640
HB2  16 HD1  17   0.10340
QG   16 MB   19   0.05250
HA   17 HB2  17   0.12980
HA   17 HG1  17   0.13210
HA   17 HD2  17   0.04490
HA   17 HN   18   0.04067
HA   17 QE   20   0.03970
HA   17 HN   20   0.02844
HB2  17 HB1  17   0.28960
HB1  17 HD2  17   0.02050
HB1  17 HD1  17   0.04420
HB1  17 HN   18   0.03822
HB2  17 HN   18   0.03578
HB1  17 HD1  18   0.03180
HB1  17 HNE1 18   0.01567
HG1  17 HD1  17   0.06320
HG1  17 HD2  17   0.06040
HG2  17 HD1  17   0.09080
HG2  17 HD2  17   0.08300
HG1  17 HN   18   0.02211
HG2  17 HD1  18   0.02250
HG2  17 HNE1 18   0.02478
HG2  17 MD1  64   0.02680
HD1  17 HD2  17   0.17100
HD1  17 HN   18   0.03289
HD2  17 HN   18   0.01633
HN   18 HA   18   0.03700
HN   18 HB2  18   0.05111
HN   18 HB1  18   0.08033
HN   18 HD1  18   0.04811
HN   18 HN   19   0.09444
HN   18 MB   19   0.03856
HA   18 HD1  18   0.08940
HA   18 QD   21   0.03580
HA   18 HG11 64   0.04150
HB1  18 HA   18   0.01530
HB1  18 HB2  18   0.17020
HB1  18 HD1  18   0.02590
HB2  18 HD1  18   0.02060
HB2  18 HE3  18   0.05600
HB1  18 HE3  18   0.04360
HB1  18 HN   19   0.07689
HB2  18 HN   19   0.03989
HB2  18 HB1  21   0.03510
HB2  18 ME   56   0.06010
HB2  18 MG2  64   0.09970
HD1  18 HNE1 18   0.19044
HD1  18 MG2  64   0.03240
HD1  18 HG11 64   0.02080
HD1  18 MD1  64   0.09290
HE3  18 HZ3  18   0.08640
HNE1 18 HZ2  18   0.09933
HE3  18 ME   56   0.02530
HNE1 18 MD1  64   0.01833
HE3  18 MD1  68   0.12860
HZ3  18 HH2  18   0.13680
HZ2  18 HH2  18   0.16400
HZ3  18 MD2  53   0.09140
HZ3  18 MD1  53   0.08930
HZ2  18 HG1  67   0.01360
HZ3  18 HB   68   0.03200
HZ3  18 HB2  71   0.02220
HH2  18 HE3  18   0.00680
HH2  18 HA   68   0.03480
HH2  18 HB2  71   0.05520
HH2  18 QG   71   0.10570
HN   19 HA   19   0.06078
HN   19 MB   19   0.14256
HN   19 HN   20   0.06407
HA   19 MB   19   0.21870
HA   19 HB2  22   0.05180
MB   19 HN   20   0.08467
HN   20 HA   20   0.09178
HN   20 QB   20   0.15889
HN   20 QG   20   0.07022
HN   20 QD   20   0.07622
HA   20 QB   20   0.08060
HA   20 HN   21   0.02267
QB   20 QG   20   0.45120
QG   20 QD   20   0.05100
QG   20 HN   21   0.03289
QD   20 QB   20   0.08120
HN   21 HA   21   0.04400
HN   21 HB1  21   0.08811
HN   21 HB2  21   0.04611
HN   21 HG2  21   0.04478
HN   21 HG1  21   0.02222
HN   21 HN   22   0.10765
HA   21 HB1  21   0.06540
HA   21 HB2  21   0.08130
HA   21 HG2  21   0.02770
HA   21 HG1  21   0.05790
HA   21 HN   22   0.05578
HB2  21 HB1  21   0.43930
HB2  21 HG1  21   0.03640
HB1  21 HG1  21   0.03330
HB2  21 HG2  21   0.03880
HB2  21 HN   22   0.02256
HB2  21 MD1  64   0.02910
QE   21 HB1  21   0.06600
QE   21 HG1  21   0.00980
QE   21 QD   21   0.02390
HN   22 HA   22   0.03311
HN   22 HB2  22   0.08489
HN   22 HB1  22   0.06656
HA   22 HB1  22   0.04010
HA   22 HB2  22   0.04570
HA   22 HN   23   0.07278
HA   22 HA   60   0.02680
HB2  22 HB1  22   0.13850
HB2  22 HN   23   0.08133
HB1  22 HN   23   0.03978
HB1  22 MB   27   0.08310
HB2  22 ME   56   0.01590
HN   24 HA2  24   0.02778
HN   24 HA1  24   0.12178
HA2  24 HA1  24   0.06590
HA2  24 HN   25   0.04267
HA1  24 HN   25   0.08533
HA2  24 HG1  59   0.02270
HN   25 HA   25   0.07111
HN   25 HB1  25   0.08167
HN   25 HB2  25   0.04878
HN   25 HN   26   0.04346
HA   25 HB2  25   0.09250
HA   25 HN   26   0.02567
HA   25 HN   28   0.01189
HB2  25 HN   26   0.01922
HB1  25 HN   26   0.03633
HN   26 HA   26   0.02300
HN   26 HB   26   0.10167
HN   26 HG12 26   0.07078
HN   26 MG2  26   0.02844
HN   26 HG11 26   0.07400
HN   26 MD1  26   0.03089
HN   26 HN   27   0.08284
HA   26 HG12 26   0.08330
HA   26 HN   29   0.02744
HA   26 RD   29   0.03630
HA   26 HN   30   0.02100
HB   26 HA   26   0.06120
HB   26 HG11 26   0.11510
HB   26 MG2  26   0.12400
HB   26 HN   27   0.08200
HG11 26 HA   26   0.02600
HG12 26 MG2  26   0.02630
HG11 26 HG12 26   0.35940
HG11 26 MD1  26   0.19110
MG2  26 MD1  26   0.03630
HG12 26 MD1  26   0.06140
MG2  26 HN   27   0.03189
MG2  26 HE2  31   0.02680
MG2  26 MG2  52   0.02770
MG2  26 HB1  56   0.03860
MG2  26 HB2  56   0.04630
MG2  26 QG   56   0.05700
MD1  26 HA   26   0.14220
HN   27 HA   27   0.04800
HN   27 MB   27   0.15156
HN   27 HN   28   0.05568
HN   27 HB2  56   0.05567
HA   27 MB   27   0.16560
HA   27 HN   30   0.02011
HA   27 HB   30   0.05520
MB   27 HN   28   0.10011
HN   28 HA   28   0.09800
HN   28 HB   28   0.08889
HA   28 HB   28   0.04890
HA   28 MG2  28   0.13000
HA   28 HN   29   0.01822
HA   28 HN   31   0.01656
HA   28 QB   31   0.14740
HA   28 HE1  31   0.06360
HB   28 MG2  28   0.16360
HB   28 HN   29   0.04456
MG2  28 HN   29   0.02933
MG2  28 QD   32   0.02540
HN   29 HA   29   0.04967
HN   29 HB1  29   0.09511
HN   29 HB2  29   0.09178
HN   29 RD   29   0.03967
HN   29 HN   30   0.06568
HA   29 HB1  29   0.10410
HA   29 HB2  29   0.07410
HA   29 RD   29   0.12170
HA   29 HN   30   0.02700
HB2  29 HB1  29   0.09280
HB2  29 RD   29   0.10810
HB1  29 RD   29   0.10710
HB1  29 HN   30   0.05067
HB2  29 HN   30   0.04611
RD   29 RE   29   0.26770
RD   29 HN   30   0.03933
RE   29 HG12 30   0.04630
RD   29 HG12 30   0.04550
RD   29 QB   32   0.02560
RD   29 HG1  32   0.04870
RE   29 HA   29   0.00720
RE   29 HB1  29   0.01340
RE   29 HA   33   0.02520
RE   29 HG2  33   0.03100
HN   30 HA   30   0.06422
HN   30 HB   30   0.14989
HN   30 HG11 30   0.05922
HN   30 HG12 30   0.07567
HN   30 MG2  30   0.05322
HN   30 MD1  30   0.04211
HN   30 HN   31   0.07778
HA   30 HB   30   0.07100
HA   30 MG2  30   0.12070
HA   30 HG12 30   0.07080
HA   30 HG11 30   0.07860
HA   30 MD1  30   0.07040
HA   30 HB1  33   0.04130
HA   30 HB2  33   0.02310
HA   30 HG1  33   0.05260
HA   30 HN   34   0.01678
HB   30 MG2  30   0.12490
HG12 30 HG11 30   0.13030
MG2  30 HG12 30   0.07130
HG12 30 MD1  30   0.17570
HG12 30 HN   31   0.02667
MG2  30 HN   31   0.06500
MG2  30 HA   31   0.02220
MD1  30 HG11 30   0.00540
MD1  30 HN   31   0.02800
MD1  30 MG2  52   0.04740
HN   31 HA   31   0.10711
HN   31 QB   31   0.41011
HN   31 QG   31   0.10378
HN   31 HD2  31   0.04644
HA   31 QB   31   0.08900
HA   31 QG   31   0.06680
HA   31 HD1  31   0.04980
HA   31 HN   34   0.02189
QB   31 QG   31   0.33500
QB   31 HE2  31   0.09060
QG   31 HE1  31   0.07800
HD1  31 HE2  31   0.19060
HD2  31 HE1  31   0.02670
HD1  31 HE1  31   0.03610
HD2  31 HE2  31   0.02330
HE2  31 HE1  31   0.06160
HE2  31 HN   35   0.02989
HA   32 QB   32   0.18390
HA   32 HG2  32   0.04580
HA   32 HG1  32   0.04880
HA   32 QD   32   0.03680
HA   32 HN   33   0.03267
QB   32 QD   32   0.12130
HG1  32 HG2  32   0.39680
HG2  32 QD   32   0.13260
HG1  32 QD   32   0.11930
HG2  32 HNE  32   0.06100
HG1  32 HNE  32   0.11144
HG1  32 HN   33   0.01344
HG2  32 HN   33   0.09889
QD   32 HNE  32   0.12011
HNE  32 HA   32   0.01467
HN   33 HA   33   0.09644
HN   33 HB2  33   0.06433
HN   33 HB1  33   0.08267
HN   33 HG2  33   0.09078
HN   33 HN   34   0.06506
HA   33 HB1  33   0.07740
HA   33 HB2  33   0.09360
HA   33 HG2  33   0.04680
HA   33 HG1  33   0.04620
HA   33 HN   34   0.03667
HA   33 QE   36   0.02160
HB1  33 HB2  33   0.17960
HB1  33 HG1  33   0.08270
HB2  33 HG1  33   0.08090
HB1  33 HG2  33   0.07880
HB2  33 HG2  33   0.07930
HB2  33 HN   34   0.03244
HB1  33 HN   34   0.04167
HG2  33 HG1  33   0.16300
HN   34 HA   34   0.06044
HN   34 HB1  34   0.06011
HN   34 HN   35   0.06593
HA   34 HB1  34   0.07650
HA   34 HN   35   0.02156
HA   34 HN   37   0.01200
HA   34 MD2  37   0.06190
HB2  34 HN   34   0.07644
HB2  34 HB1  34   0.24530
HB1  34 HN   35   0.02144
HB2  34 HN   35   0.03444
HN   35 HA1  35   0.11278
HN   35 HA2  35   0.17833
HN   35 HN   36   0.07568
HA1  35 HA2  35   0.20070
HA1  35 HN   36   0.02389
HA2  35 HA   36   0.01510
HN   36 HA   36   0.07367
HN   36 HB1  36   0.10511
HN   36 QG   36   0.05844
HA   36 HB1  36   0.09270
HA   36 QG   36   0.13230
HA   36 HN   37   0.05244
HB2  36 HN   36   0.05467
HB2  36 HA   36   0.04410
HB2  36 QE   36   0.02100
QG   36 QE   36   0.01660
HN   37 HA   37   0.05722
HN   37 HB1  37   0.04867
HN   37 MD2  37   0.02533
HN   37 MD1  37   0.02711
HA   37 HB1  37   0.21160
HA   37 MD1  37   0.14300
HB2  37 HB1  37   0.39870
MD1  37 HB1  37   0.05900
MD2  37 HB1  37   0.04710
MD2  37 HG   37   0.21900
MD1  37 HG   37   0.15150
HA   41 HD1  41   0.02560
HA   41 HN   42   0.01822
HB1  41 HE3  41   0.05870
HB2  41 HE3  41   0.01250
HB1  41 HN   42   0.02378
HB2  41 HN   42   0.02311
HB2  41 MG1  45   0.06080
HB2  41 MG2  45   0.04260
HD1  41 HNE1 41   0.15111
HD1  41 HN   42   0.02744
HE3  41 HZ3  41   0.15160
HNE1 41 HZ2  41   0.06856
HE3  41 MG1  45   0.04540
HE3  41 HA   46   0.03480
HZ2  41 HH2  41   0.07690
HZ2  41 HB   49   0.07550
HZ3  41 HG11 49   0.07470
HZ3  41 MG2  49   0.06080
HH2  41 HB   49   0.10760
HH2  41 MG2  49   0.01830
HH2  41 HG11 49   0.07120
HN   42 HA   42   0.02156
HN   42 HB2  42   0.01522
HN   42 HB1  42   0.03044
HN   42 HB   45   0.02233
HN   42 MG1  45   0.02378
HN   42 MG2  45   0.02844
HA   42 HB1  42   0.02290
HA   42 HB2  42   0.02320
HA   42 HN   43   0.06667
HB2  42 HB1  42   0.03040
HB2  42 HN   43   0.02556
HN   43 HA   43   0.04711
HN   43 HB   43   0.06467
HN   43 MG2  43   0.03544
HN   43 HN   44   0.04617
HA   43 MG2  43   0.10840
HA   43 QB   46   0.07190
HA   43 HG   47   0.03250
HB   43 MG2  43   0.15060
HB   43 HN   44   0.08733
HN   44 HA   44   0.09889
HN   44 HB   44   0.13644
HN   44 MG2  44   0.09933
HN   44 HG12 44   0.05067
HN   44 HG11 44   0.02878
HN   44 HN   45   0.06173
HA   44 MG2  44   0.25480
HA   44 HG12 44   0.05430
HA   44 HG11 44   0.01270
HA   44 HN   45   0.03233
HA   44 HN   47   0.04322
HA   44 HB2  47   0.03700
HB   44 HA   44   0.14770
HB   44 MG2  44   0.29840
HB   44 HN   45   0.05778
HG12 44 HN   45   0.01378
HN   45 HA   45   0.08522
HN   45 HB   45   0.11822
HN   45 MG2  45   0.16622
HN   45 MG1  45   0.04400
HN   45 HN   46   0.06136
HA   45 HB   45   0.10170
HA   45 MG2  45   0.19360
HA   45 MG1  45   0.13670
HA   45 HN   46   0.03200
HA   45 HN   48   0.01667
HA   45 HN   49   0.01600
HB   45 MG1  45   0.13660
HB   45 MG2  45   0.16850
MG2  45 MG1  45   0.28040
MG1  45 HN   46   0.03300
MG2  45 HN   46   0.01978
MG2  45 HN   48   0.02000
MG1  45 HB   48   0.04280
MG1  45 MG2  49   0.08850
HN   46 HA   46   0.04289
HN   46 QB   46   0.12700
HA   46 QB   46   0.28930
HA   46 MG2  49   0.12110
QB   46 HN   47   0.08278
HN   47 HA   47   0.08789
HN   47 HB2  47   0.06611
HN   47 HB1  47   0.06456
HN   47 HG   47   0.11667
HN   47 HN   48   0.06210
HA   47 HN   50   0.02967
HB2  47 HA   47   0.12240
HB2  47 HB1  47   0.33500
HB1  47 HN   48   0.04544
HB2  47 HN   48   0.02067
HN   48 HB   48   0.07867
HN   48 MG2  48   0.02533
HN   48 HN   49   0.07111
HB   48 MG2  48   0.14400
HB   48 HN   49   0.05711
HN   49 HA   49   0.02633
HN   49 HB   49   0.06333
HN   49 MG2  49   0.10522
HN   49 HG11 49   0.02411
HN   49 MD1  49   0.02100
HN   49 HN   50   0.08160
HA   49 HB   49   0.11930
HA   49 HG11 49   0.03660
HA   49 MG2  49   0.03940
HA   49 MD1  49   0.12120
HB   49 HG11 49   0.27140
HB   49 MG2  49   0.15680
HB   49 MD1  49   0.14010
HB   49 HN   50   0.01233
HB   49 HG   53   0.42370
MG2  49 HG11 49   0.17210
HG12 49 HG11 49   0.28750
HG12 49 MD1  49   0.08340
MG2  49 MD1  49   0.02100
HG11 49 MD1  49   0.13830
MG2  49 HN   50   0.05944
HG11 49 HN   50   0.01522
HG11 49 HN   53   0.07933
HG11 49 HG   53   0.24300
MD1  49 HB   52   0.02630
MD1  49 MG2  52   0.03880
MD1  49 HG   53   0.04380
HN   50 HA   50   0.02989
HN   50 HB2  50   0.04767
HN   50 HB1  50   0.06389
HN   50 HD2  51   0.04444
HN   50 HD1  51   0.03333
HA   50 HB2  50   0.03320
HA   50 HB1  50   0.03630
HA   50 HN   53   0.02178
HA   50 HB1  53   0.05570
HA   50 QG   54   0.06070
HB2  50 HB1  50   0.15070
HB2  50 HD2  51   0.02470
QB   51 HD1  51   0.10910
QB   51 HD2  51   0.09940
QB   51 HN   52   0.05167
HG1  51 QB   51   0.17470
HG2  51 HG1  51   0.05450
HG2  51 HD1  51   0.06750
HG2  51 HD2  51   0.05500
HG1  51 HN   52   0.01911
HD2  51 HD1  51   0.11540
HD1  51 HN   52   0.02656
HD2  51 HN   52   0.01933
HN   52 HA   52   0.07111
HN   52 HB   52   0.07911
HN   52 MG2  52   0.02856
HN   52 HN   53   0.06086
HA   52 MG2  52   0.17270
HA   52 HN   53   0.05400
HB   52 MG2  52   0.10480
HB   52 HN   53   0.04667
HN   53 HB2  53   0.05200
HN   53 HB1  53   0.04522
HN   53 HG   53   0.10122
HN   53 MD1  53   0.05800
HN   53 HN   54   0.06012
HB   11 MD1  53   0.05180
HA   53 HN   53   0.06722
HA   53 HB1  53   0.05270
HA   53 MD2  53   0.03990
HA   53 HN   54   0.01889
HB2  53 HA   53   0.02740
HB1  53 HB2  53   0.09480
HB2  53 MD1  53   0.12670
HB2  53 MD2  53   0.07810
HB2  53 HN   54   0.03733
MD2  53 HN   53   0.04544
HN   54 HA   54   0.05589
HN   54 QB   54   0.13622
HN   54 QG   54   0.04433
HN   54 QD   54   0.11444
HN   54 HN   55   0.06383
HA   54 QB   54   0.15040
HA   54 QG   54   0.06350
HA   54 QD   54   0.19930
HA   54 HN   55   0.02244
HA   54 HN   57   0.02989
HA   54 MB   57   0.07790
QB   54 QG   54   0.11650
QB   54 HN   55   0.12967
QG   54 HN   55   0.01689
HN   55 HA   55   0.07611
HN   55 HB1  55   0.05467
HN   55 HN   56   0.05432
HA   55 HB1  55   0.06900
HA   55 HN   56   0.03922
HB1  55 HN   56   0.02622
HN   56 HA   56   0.12456
HN   56 HB1  56   0.05378
HN   56 HB2  56   0.06467
HN   56 QG   56   0.04422
HA   56 HB1  56   0.08300
HA   56 HB2  56   0.16290
HA   56 QG   56   0.11730
HA   56 HN   57   0.03967
HB2  56 QG   56   0.10270
HB2  56 ME   56   0.13290
HB2  56 HN   57   0.01856
HB1  56 HN   57   0.03478
HB2  56 HN   58   0.01844
HB2  56 MD1  68   0.02250
QG   56 HB1  56   0.06020
QG   56 HN   57   0.02189
HN   57 HA   57   0.07078
HN   57 MB   57   0.16100
HN   57 HN   58   0.04346
HA   57 MB   57   0.25980
HA   57 HN   58   0.02378
HA   57 HN   60   0.02333
MB   57 HN   58   0.07111
HN   58 HA   58   0.06756
HN   58 HB1  58   0.10833
HN   58 HN   59   0.08667
HA   58 HN   59   0.03178
HB2  58 HN   58   0.04933
HB2  58 HA   58   0.07970
HN   59 HA   59   0.03422
HN   59 HB2  59   0.07578
HN   59 HB1  59   0.04656
HN   59 HG2  59   0.03711
HN   59 HN   60   0.10778
HA   59 HB2  59   0.03770
HA   59 HB1  59   0.04640
HA   59 HG1  59   0.02860
HB1  59 HB2  59   0.20290
HB1  59 HG1  59   0.04880
HB1  59 HG2  59   0.03900
HB2  59 HN   60   0.02800
HN   60 QB   60   0.12611
HA   60 HN   61   0.02667
QB   60 HN   61   0.06156
QB   60 HN   64   0.01456
QB   60 HB   64   0.14960
QB   60 MB   65   0.14230
HN   61 HA   61   0.06967
HN   61 HB1  61   0.05711
HN   61 HB2  61   0.04256
HN   61 HN   62   0.02679
HA   61 HB1  61   0.06510
HA   61 HB2  61   0.08990
HA   61 HG2  61   0.05130
HA   61 HN   62   0.20711
HA   61 HA1  62   0.02450
HB2  61 HB1  61   0.21180
HB1  61 HN   62   0.03600
HB2  61 HN   62   0.05167
HB1  61 HN   64   0.01467
HB1  61 MG2  64   0.06050
HG1  61 HN   61   0.02200
HG1  61 HA   61   0.03860
HG1  61 HB2  61   0.05170
HN   62 HA1  62   0.11678
HN   62 HA2  62   0.12022
HN   62 HN   63   0.02457
HA1  62 HA2  62   0.24220
HA1  62 HN   63   0.03789
HN   63 HN   64   0.06481
HA   63 HB2  63   0.08130
HB1  63 HN   63   0.02922
HN   64 HA   64   0.09589
HN   64 HB   64   0.15144
HN   64 MG2  64   0.07644
HN   64 HG11 64   0.06333
HN   64 MD1  64   0.04856
HN   64 HN   65   0.11049
HA   64 HG12 64   0.07120
HA   64 HG11 64   0.09170
HA   64 MG2  64   0.10320
HA   64 MD1  64   0.13140
HA   64 HN   65   0.02689
HA   64 HG2  67   0.02800
HB   64 HG12 64   0.07080
HB   64 HG11 64   0.05980
HB   64 MG2  64   0.15900
HB   64 HN   65   0.07700
HG12 64 MG2  64   0.05580
MG2  64 HG11 64   0.08100
HG12 64 MD1  64   0.13410
MG2  64 MD1  64   0.10200
HG11 64 MD1  64   0.16930
MG2  64 HN   65   0.03856
MG2  64 HA   65   0.05570
HN   65 HA   65   0.10633
HN   65 MB   65   0.22733
HA   65 MB   65   0.30290
HA   65 HN   68   0.03133
HA   65 HB   68   0.14300
MB   65 HN   66   0.05711
HN   66 HA   66   0.06489
HN   66 HB   66   0.09756
HN   66 MG2  66   0.02922
HN   66 HN   67   0.05790
HA   66 HB   66   0.03460
HA   66 MG2  66   0.12810
HB   66 MG2  66   0.14450
HB   66 HN   67   0.06400
MG2  66 HN   67   0.03022
HN   67 HA   67   0.07422
HN   67 HB2  67   0.04833
HN   67 HB1  67   0.05700
HN   67 HG1  67   0.04178
HN   67 HG2  67   0.07411
HN   67 HN   68   0.05062
HA   67 HB2  67   0.05190
HA   67 HG1  67   0.08390
HA   67 HG2  67   0.04980
HB1  67 HG1  67   0.02790
HB2  67 HG1  67   0.04180
HB2  67 HG2  67   0.03830
HB1  67 HG2  67   0.05580
HG1  67 HG2  67   0.26280
HN   68 HA   68   0.05500
HN   68 HB   68   0.12511
HN   68 MD1  68   0.06111
HN   68 HN   69   0.01444
HA   68 HB   68   0.05700
HA   68 MD1  68   0.08020
HA   68 HN   69   0.02633
HA   68 HN   71   0.02089
HB   68 MD1  68   0.12220
HB   68 HN   69   0.13267
MD1  68 HN   69   0.01533
HB2  50 HB2  72   0.03420
MD1  53 HB2  71   0.11130
HB2  56 MD1  68   0.03030
HA   66 HB2  69   0.36050
HN   69 HB1  69   0.15700
HN   69 HB2  69   0.21733
HA   69 HB1  69   0.06630
HA   69 HB2  69   0.05670
HA   69 HN   73   0.02778
HB1  69 HB2  72   0.01230
HN   70 HA   70   0.02800
HN   70 QG   70   0.02333
QB   70 HN   70   0.02411
HN   71 HA   71   0.07867
HN   71 HB1  71   0.06189
HN   71 HB2  71   0.20822
HN   71 QG   71   0.03644
HN   71 QD   71   0.00967
HN   71 HN   72   0.05296
HA   71 HN   72   0.05033
HB2  71 HN   72   0.09044
QG   71 HA   71   0.06990
HN   72 HN   73   0.01370
HB1  72 HN   72   0.12411
HB2  72 HN   72   0.04922
HN   73 HA   73   0.01633
HN   73 QB   73   0.04378
HA   73 QB   73   0.04460
UNRESOLVED 
HN   47 MD1  47   HN   47 MD2  47                 0.06978
HB2  47 MD1  47   HB2  47 MD2  47                 0.11470
HB1  47 MD1  47   HB1  47 MD2  47                 0.12130
HG   47 MD1  47   HG   47 MD2  47                 0.30630
MD1  47 HA   47   MD2  47 HA   47                 0.23690
HE3  18 QG1  68   HE3  18 MG2  68                 0.11860
HZ3  18 QG1  68   HZ3  18 MG2  68                 0.10930
HZ2  18 QG1  68   HZ2  18 MG2  68                 0.01460
HH2  18 QG1  68   HH2  18 MG2  68                 0.04780
HB2  53 QG1  68   HB2  53 MG2  68                 0.07810
HG   53 QG1  68   HG   53 MG2  68                 0.21580
MD1  53 QG1  68   MD1  53 MG2  68                 0.40480
HA   54 QG1  68   HA   54 MG2  68                 0.06070
HB2  56 QG1  68   HB2  56 MG2  68                 0.03160
HN   57 QG1  68   HN   57 MG2  68                 0.04433
MB   57 QG1  68   MB   57 MG2  68                 0.25720
HA   65 QG1  68   HA   65 MG2  68                 0.22530
HN   68 QG1  68   HN   68 MG2  68                 0.13889
HA   68 QG1  68   HA   68 MG2  68                 0.22990
HB   68 QG1  68   HB   68 MG2  68                 0.42370
QG1  68 HN   69   MG2  68 HN   69                 0.06611
QG1  68 HN   71   MG2  68 HN   71                 0.01833
QG1  68 HN   72   MG2  68 HN   72                 0.03878
HA    5 HD1   8   HA    3 HD1   8                 0.18530
HA    3 HNE1  8   HA    5 HNE1  8                 0.03256
HB   14 MD1  53   HA   53 MD1  53                 0.15690
HA  226 MD1 229   0.03000 
-----------------------------------------------------------------------

------------------------------------------------------------------------
#  
#  
#  SLOWLY EXCHANGING HN-PROTONS. To identify slowly exchanging 
#  amide protons, the NOESY spectrum was acquired immediately after
#  dissolving of the sample in D2O.

SLOWLY EXCHANGING PROTONS

HN TRP   8
HN GLU   9
HN THR  10
HN VAL  11
HN CYS  12
HN VAL  15
HN GLU  16
HN ALA  19
HN ALA  27
HN THR  28
HN TYR  29
HN ILE  30
HN LYS  31
HN ARG  32
HN GLU  33
HN CYS  34
HN LYS  46
HN LEU  47
HN THR  48
HN ILE  49
HN CYS  50
HN LEU  53
HN LYS  54
HN SER  55
HN MET  56
HN ALA  57
HN THR  66
HN MET  67
HN ILE  68
HN LYS  69
HN LYS  70
HN LYS  71
HN CYS  72

-----------------------------------------------------------------------
II.	THIS SECTION CONTAINS INPUT DATA FOR DIANA
-----------------------------------------------------------------------
#   
#  This data include all upper limit interproton distance and torsion 
#  angle restraints in DIANA format. Interproton distance restraints have 
#  FORMAT(I3,1X,2A5,I4,1X,2A5,F7.2) and the correspondent records contain 
#  residue number, residue name and atom name of the first and second atom, 
#  respectively, and the distance limit in Angstroms. Torsion angle restraints 
#  have FORMAT(I4,1X,A5,1X,A5,2F8.1) and the correspondent records contain the 
#  residue number, the residue name, the dihedral angle name, and lower and 
#  upper bounds of the allowed interval in degrees.
#
#     
#-----------------------------------------------------------------------
#   Upper limit proton-proton distance restraints for DIANA 

  2 VAL  HB      2 VAL  HA      2.13
  2 VAL  HB      2 VAL  HN      2.64
  2 VAL  HN      1 GLY  QA      2.83
  2 VAL  QG1     2 VAL  HA      5.91
  2 VAL  QG2     2 VAL  HA      5.60
  3 ILE  HB      3 ILE  HN      2.84
  3 ILE  HG12    3 ILE  HA      3.94
  3 ILE  HG12    3 ILE  HN      5.05
  3 ILE  HG13    3 ILE  HA      2.67
  3 ILE  HG13    3 ILE  HN      4.03
  3 ILE  HN      2 VAL  HB      3.13
  3 ILE  QD1     3 ILE  HB      4.37
  3 ILE  QD1     3 ILE  HN      7.04
  3 ILE  QD1     3 ILE  QG2     3.81
  3 ILE  QG2     3 ILE  HA      4.56
  3 ILE  QG2     3 ILE  HG12    4.50
  3 ILE  QG2     3 ILE  HG13    5.22
  4 PRO  HD2     3 ILE  QG2     5.72
  4 PRO  HD2     4 PRO  HG2     4.34
  4 PRO  HD3     3 ILE  QG2     6.37
  4 PRO  HD3     4 PRO  HG2     3.93
  4 PRO  HD3     4 PRO  HG3     4.10
  4 PRO  HG2     4 PRO  HA      3.01
  4 PRO  HG3     4 PRO  HA      3.17
  4 PRO  HG3     4 PRO  QB      2.34
  4 PRO  QB      4 PRO  HA      3.04
  5 LYS  HA      5 LYS  HN      3.51
  5 LYS  HB2     5 LYS  HA      3.54
  5 LYS  HB2     5 LYS  HN      2.92
  5 LYS  HB3     5 LYS  HA      3.57
  5 LYS  HB3     5 LYS  HN      2.49
  5 LYS  HG3     5 LYS  HA      2.90
  5 LYS  HG3     5 LYS  HN      5.04
  5 LYS  HN      4 PRO  HA      2.36
  5 LYS  HN      4 PRO  QB      5.43
  6 LYS  HA      6 LYS  HN      3.28
  6 LYS  QB      6 LYS  HN      2.93
  6 LYS  QD      6 LYS  HA      3.47
  6 LYS  QD      6 LYS  HN      6.26
  6 LYS  QD      6 LYS  QG      4.71
  6 LYS  QE      6 LYS  QD      3.21
  6 LYS  QE      6 LYS  QG      4.60
  6 LYS  QG      6 LYS  HA      3.56
  6 LYS  QG      6 LYS  HN      5.12
  7 ILE  HA      7 ILE  HN      4.16
  7 ILE  HB      7 ILE  HA      3.81
  7 ILE  HB      7 ILE  HN      4.82
  7 ILE  HG12    7 ILE  HB      4.01
  7 ILE  HG12    7 ILE  HN      3.95
  7 ILE  HG13    3 ILE  QG2     5.57
  7 ILE  HG13    4 PRO  HD3     4.98
  7 ILE  HG13    7 ILE  HA      4.47
  7 ILE  HG13    7 ILE  HB      3.81
  7 ILE  HG13    7 ILE  HN      4.43
  7 ILE  HN      3 ILE  QG2     7.97
  7 ILE  HN      6 LYS  HN      4.11
  7 ILE  QD1     7 ILE  HA      3.45
  7 ILE  QD1     7 ILE  QG2     4.07
  7 ILE  QG2     3 ILE  QG2     4.08
  7 ILE  QG2     7 ILE  HA      3.77
  7 ILE  QG2     7 ILE  HG12    5.36
  7 ILE  QG2     7 ILE  HG13    3.86
  7 ILE  QG2     7 ILE  HN      5.66
  8 TRP  HA      8 TRP  HN      4.18
  8 TRP  HB2     5 LYS  HA      3.18
  8 TRP  HB2     8 TRP  HN      3.61
  8 TRP  HB3     8 TRP  HN      3.78
  8 TRP  HD1     3 ILE  HB      3.10
  8 TRP  HD1     3 ILE  QG2     5.89
  8 TRP  HD1     5 LYS  HN      4.27
  8 TRP  HD1     8 TRP  HB2     2.91
  8 TRP  HD1     8 TRP  HE1     2.55
  8 TRP  HE1     3 ILE  HB      3.71
  8 TRP  HE1     3 ILE  HN      4.37
  8 TRP  HE1     3 ILE  QG2     6.39
  8 TRP  HE3     8 TRP  HA      2.65
  8 TRP  HE3     8 TRP  HB3     3.55
  8 TRP  HN      3 ILE  QG2     5.71
  8 TRP  HN      5 LYS  HA      4.25
  8 TRP  HN      7 ILE  HB      3.37
  8 TRP  HN      7 ILE  HN      3.69
  8 TRP  HN      7 ILE  QG2     6.80
  8 TRP  HZ2     3 ILE  QD1     3.91
  8 TRP  HZ2     3 ILE  QG2     7.80
  8 TRP  HZ2     8 TRP  HE1     3.55
  9 GLU  HA      9 GLU  HN      3.28
  9 GLU  HB2     9 GLU  HN      3.57
  9 GLU  HB3     9 GLU  HA      3.09
  9 GLU  HB3     9 GLU  HN      4.84
  9 GLU  HG2     9 GLU  HA      3.64
  9 GLU  HG2     9 GLU  HB3     3.59
  9 GLU  HG3     9 GLU  HB2     6.07
  9 GLU  HG3     9 GLU  HB3     5.48
  9 GLU  HG3     9 GLU  HN      3.73
  9 GLU  HN      5 LYS  HG2     5.04
  9 GLU  HN      6 LYS  HA      5.26
  9 GLU  HN      6 LYS  QG      6.35
  9 GLU  HN      8 TRP  HB2     3.34
  9 GLU  HN      8 TRP  HB3     3.85
  9 GLU  HN      8 TRP  HN      3.40
 10 THR  HA     10 THR  HN      3.68
 10 THR  HB     10 THR  HN      3.82
 10 THR  HN      7 ILE  HA      5.90
 10 THR  HN      9 GLU  HB2     4.12
 10 THR  HN      9 GLU  HB3     5.60
 10 THR  HN      9 GLU  HN      4.05
 11 VAL  HA     11 VAL  HN      4.15
 11 VAL  HB     11 VAL  HA      3.18
 11 VAL  HB     11 VAL  HN      5.18
 11 VAL  HN      8 TRP  HA      5.51
 11 VAL  HN     10 THR  HB      4.30
 11 VAL  HN     10 THR  HN      4.05
 11 VAL  QG1     7 ILE  QG2     7.69
 11 VAL  QG1    10 THR  QG2     5.53
 11 VAL  QG1    11 VAL  HA      3.77
 11 VAL  QG1    11 VAL  HN      3.77
 11 VAL  QG2     7 ILE  QG2     6.86
 11 VAL  QG2     8 TRP  HA      3.33
 11 VAL  QG2     8 TRP  HE3     3.14
 11 VAL  QG2     8 TRP  HH2     5.48
 11 VAL  QG2     8 TRP  HZ3     7.63
 11 VAL  QG2    11 VAL  HN      3.61
 12 CYS  HA     11 VAL  QG2     4.79
 12 CYS  HA     12 CYS  HN      3.78
 12 CYS  HB2    12 CYS  HN      3.17
 12 CYS  HB3    12 CYS  HA      3.51
 12 CYS  HB3    12 CYS  HN      5.38
 12 CYS  HN     11 VAL  HA      5.15
 12 CYS  HN     11 VAL  HN      2.88
 12 CYS  HN     11 VAL  QG2     4.35
 13 PRO  HB2    13 PRO  HA      2.76
 13 PRO  HB3    13 PRO  HA      2.93
 13 PRO  HD2    12 CYS  HB2     4.61
 13 PRO  HD2    12 CYS  HN      3.74
 13 PRO  HD2    13 PRO  HA      4.94
 13 PRO  HD2    13 PRO  HB3     3.92
 13 PRO  HD2    13 PRO  HG2     3.48
 13 PRO  HD2    13 PRO  HG3     4.09
 13 PRO  HD3    12 CYS  HN      3.51
 13 PRO  HD3    13 PRO  HA      3.56
 13 PRO  HD3    13 PRO  HB2     3.26
 13 PRO  HD3    13 PRO  HG2     2.88
 13 PRO  HD3    13 PRO  HG3     3.11
 13 PRO  HG2    13 PRO  HA      4.98
 13 PRO  HG2    13 PRO  HB3     2.87
 13 PRO  HG3    13 PRO  HA      4.82
 13 PRO  HG3    13 PRO  HB2     3.37
 14 THR  HA     14 THR  HN      3.18
 14 THR  HB     11 VAL  HA      5.76
 14 THR  HB     14 THR  HN      3.95
 14 THR  HN     11 VAL  HA      6.73
 14 THR  HN     13 PRO  HB2     5.83
 14 THR  HN     13 PRO  HB3     3.77
 14 THR  HN     13 PRO  HD3     4.33
 14 THR  HN     13 PRO  HG2     3.66
 14 THR  QG2    14 THR  HA      3.40
 14 THR  QG2    14 THR  HN      4.39
 15 VAL  HA     14 THR  QG2     6.03
 15 VAL  HA     15 VAL  HN      4.52
 15 VAL  HB     11 VAL  QG2     6.50
 15 VAL  HB     15 VAL  HA      3.83
 15 VAL  HB     15 VAL  HN      4.93
 15 VAL  HN     12 CYS  HA      4.18
 15 VAL  HN     14 THR  HB      4.15
 15 VAL  HN     14 THR  HN      3.44
 15 VAL  HN     14 THR  QG2     6.82
 15 VAL  QG1    14 THR  HN      7.20
 15 VAL  QG1    14 THR  QG2     6.74
 15 VAL  QG1    15 VAL  HN      4.93
 16 GLU  HA     16 GLU  HN      3.27
 16 GLU  HB2    16 GLU  HN      3.21
 16 GLU  HB3    16 GLU  HN      3.54
 16 GLU  HN     12 CYS  HA      3.91
 16 GLU  HN     14 THR  HN      5.11
 16 GLU  HN     15 VAL  HA      7.27
 16 GLU  HN     15 VAL  HN      4.69
 16 GLU  QG     16 GLU  HB3     3.40
 16 GLU  QG     16 GLU  HN      5.70
 17 PRO  HB3    17 PRO  HA      3.22
 17 PRO  HD2    16 GLU  HB3     2.74
 17 PRO  HD2    16 GLU  HN      3.27
 17 PRO  HD2    17 PRO  HG2     3.66
 17 PRO  HD2    17 PRO  HG3     3.07
 17 PRO  HD3    16 GLU  HB3     3.18
 17 PRO  HD3    16 GLU  HN      3.05
 17 PRO  HD3    17 PRO  HA      4.78
 17 PRO  HD3    17 PRO  HB2     4.45
 17 PRO  HD3    17 PRO  HG2     3.79
 17 PRO  HD3    17 PRO  HG3     3.23
 17 PRO  HG2    17 PRO  HA      2.77
 18 TRP  HA     18 TRP  HN      5.75
 18 TRP  HB2    18 TRP  HA      5.74
 18 TRP  HB2    18 TRP  HN      3.27
 18 TRP  HB3    18 TRP  HN      4.34
 18 TRP  HD1    17 PRO  HB2     5.76
 18 TRP  HD1    17 PRO  HG3     5.35
 18 TRP  HD1    18 TRP  HA      5.65
 18 TRP  HD1    18 TRP  HB2     6.86
 18 TRP  HD1    18 TRP  HB3     6.09
 18 TRP  HD1    18 TRP  HE1     5.79
 18 TRP  HD1    18 TRP  HN      5.11
 18 TRP  HE1    14 THR  QG2     7.79
 18 TRP  HE1    17 PRO  HB2     6.36
 18 TRP  HE1    17 PRO  HG3     6.25
 18 TRP  HE3    15 VAL  HA      4.48
 18 TRP  HE3    15 VAL  HB      4.34
 18 TRP  HE3    18 TRP  HB2     4.11
 18 TRP  HE3    18 TRP  HB3     4.64
 18 TRP  HH2    14 THR  QG2     5.97
 18 TRP  HH2    15 VAL  QG1     4.87
 18 TRP  HN     15 VAL  HA      5.58
 18 TRP  HN     17 PRO  HA      4.26
 18 TRP  HN     17 PRO  HB2     4.39
 18 TRP  HN     17 PRO  HB3     4.29
 18 TRP  HN     17 PRO  HD2     5.69
 18 TRP  HN     17 PRO  HD3     4.57
 18 TRP  HN     17 PRO  HG2     4.81
 18 TRP  HZ2    18 TRP  HE1     4.46
 18 TRP  HZ3    15 VAL  HA      4.11
 19 ALA  HA     19 ALA  HN      3.78
 19 ALA  HN     15 VAL  HA      6.36
 19 ALA  HN     16 GLU  HA      4.84
 19 ALA  HN     18 TRP  HB2     3.89
 19 ALA  HN     18 TRP  HB3     3.66
 19 ALA  HN     18 TRP  HN      3.09
 19 ALA  QB     16 GLU  QG      5.90
 19 ALA  QB     18 TRP  HN      6.40
 19 ALA  QB     19 ALA  HN      3.82
 20 LYS  HA     20 LYS  HN      2.82
 20 LYS  HN     17 PRO  HA      5.44
 20 LYS  HN     19 ALA  HN      4.93
 20 LYS  HN     19 ALA  QB      3.76
 20 LYS  QB     20 LYS  HA      5.31
 20 LYS  QB     20 LYS  HN      3.55
 20 LYS  QD     20 LYS  HN      4.47
 20 LYS  QD     20 LYS  QB      4.92
 20 LYS  QE     17 PRO  HA      5.82
 20 LYS  QG     20 LYS  HN      5.70
 20 LYS  QG     20 LYS  QB      2.25
 21 LYS  HA     21 LYS  HN      3.55
 21 LYS  HB2    21 LYS  HA      3.12
 21 LYS  HB2    21 LYS  HN      3.18
 21 LYS  HB3    21 LYS  HA      3.09
 21 LYS  HB3    21 LYS  HN      3.17
 21 LYS  HG2    21 LYS  HA      2.97
 21 LYS  HG2    21 LYS  HB2     4.18
 21 LYS  HG3    21 LYS  HB3     4.02
 21 LYS  HG3    21 LYS  HN      3.15
 21 LYS  HN     20 LYS  HA      4.73
 21 LYS  HN     20 LYS  QG      5.29
 21 LYS  QD     18 TRP  HA      5.99
 21 LYS  QE     21 LYS  HB2     3.76
 22 CYS  HA     22 CYS  HN      3.89
 22 CYS  HB2    22 CYS  HA      3.59
 22 CYS  HB2    22 CYS  HN      3.10
 22 CYS  HB3    19 ALA  HA      3.15
 22 CYS  HB3    22 CYS  HA      3.47
 22 CYS  HB3    22 CYS  HN      2.80
 22 CYS  HN     21 LYS  HA      3.21
 22 CYS  HN     21 LYS  HB3     6.14
 22 CYS  HN     21 LYS  HN      2.67
 23 SER  HN     22 CYS  HA      3.12
 23 SER  HN     22 CYS  HB2     4.75
 23 SER  HN     22 CYS  HB3     2.84
 24 GLY  HA1    24 GLY  HN      2.53
 24 GLY  HA2    24 GLY  HN      4.14
 25 ASP  HA     25 ASP  HN      3.20
 25 ASP  HB2    25 ASP  HN      2.79
 25 ASP  HB3    25 ASP  HA      3.03
 25 ASP  HN     24 GLY  HA1     2.85
 25 ASP  HN     24 GLY  HA2     3.53
 26 ILE  HB     26 ILE  HA      3.15
 26 ILE  HB     26 ILE  HN      2.74
 26 ILE  HG12   26 ILE  HA      3.51
 26 ILE  HG12   26 ILE  HB      5.02
 26 ILE  HG12   26 ILE  HN      2.98
 26 ILE  HG13   26 ILE  HA      4.60
 26 ILE  HG13   26 ILE  HN      4.56
 26 ILE  HN     25 ASP  HA      4.02
 26 ILE  HN     25 ASP  HB2     3.13
 26 ILE  HN     25 ASP  HN      3.42
 26 ILE  QD1    26 ILE  HA      2.92
 27 ALA  HA     27 ALA  HN      3.24
 27 ALA  HN     26 ILE  HB      3.22
 27 ALA  HN     26 ILE  HN      2.87
 27 ALA  QB     22 CYS  HB2     3.36
 27 ALA  QB     27 ALA  HN      2.56
 28 THR  HA     28 THR  HN      2.76
 28 THR  HB     28 THR  HA      3.99
 28 THR  HB     28 THR  HN      2.75
 28 THR  HN     25 ASP  HA      6.46
 28 THR  HN     27 ALA  HN      3.41
 28 THR  HN     27 ALA  QB      3.52
 28 THR  QG2    28 THR  HA      3.09
 29 TYR  HA     29 TYR  HN      4.38
 29 TYR  HB2    29 TYR  HA      2.60
 29 TYR  HB2    29 TYR  HN      2.65
 29 TYR  HB3    29 TYR  HA      2.93
 29 TYR  HB3    29 TYR  HN      2.67
 29 TYR  HN     26 ILE  HA      4.27
 29 TYR  HN     28 THR  HA      4.90
 29 TYR  HN     28 THR  HB      3.34
 29 TYR  HN     28 THR  QG2     6.00
 29 TYR  QD     26 ILE  HA      5.18
 29 TYR  QD     29 TYR  HA      3.61
 29 TYR  QD     29 TYR  HB2     2.38
 29 TYR  QD     29 TYR  HB3     2.85
 29 TYR  QD     29 TYR  HN      5.60
 30 ILE  HA      8 TRP  HH2     5.06
 30 ILE  HA      8 TRP  HZ3     4.99
 30 ILE  HA     30 ILE  HN      3.05
 30 ILE  HB     27 ALA  HA      3.17
 30 ILE  HB     30 ILE  HA      3.96
 30 ILE  HB     30 ILE  HN      2.67
 30 ILE  HG12    8 TRP  HH2     3.73
 30 ILE  HG12    8 TRP  HZ3     4.94
 30 ILE  HG12   30 ILE  HA      3.10
 30 ILE  HG12   30 ILE  HN      3.51
 30 ILE  HG13    8 TRP  HH2     4.62
 30 ILE  HG13   29 TYR  QD      5.86
 30 ILE  HG13   29 TYR  QE      5.14
 30 ILE  HG13   30 ILE  HA      3.07
 30 ILE  HG13   30 ILE  HN      5.54
 30 ILE  HN     26 ILE  HA      5.07
 30 ILE  HN     27 ALA  HA      5.78
 30 ILE  HN     29 TYR  HA      4.61
 30 ILE  HN     29 TYR  HB2     3.54
 30 ILE  HN     29 TYR  HB3     3.64
 30 ILE  HN     29 TYR  HN      3.15
 30 ILE  HN     29 TYR  QD      5.47
 30 ILE  QD1     8 TRP  HH2     5.15
 30 ILE  QD1     8 TRP  HZ3     3.80
 30 ILE  QD1    30 ILE  HA      4.57
 30 ILE  QD1    30 ILE  HN      5.86
 30 ILE  QG2     8 TRP  HZ3     3.98
 30 ILE  QG2    30 ILE  HA      2.80
 31 LYS  HA     30 ILE  QG2     6.37
 31 LYS  HA     31 LYS  HN      3.37
 31 LYS  HD2    31 LYS  HA      3.46
 31 LYS  HD3    31 LYS  HN      5.26
 31 LYS  HE2    28 THR  HA      2.98
 31 LYS  HE2    31 LYS  HD2     4.26
 31 LYS  HE2    31 LYS  QG      3.53
 31 LYS  HE3    26 ILE  QG2     7.78
 31 LYS  HE3    31 LYS  HD2     2.87
 31 LYS  HE3    31 LYS  HD3     3.07
 31 LYS  HE3    31 LYS  QB      4.57
 31 LYS  HN     28 THR  HA      4.54
 31 LYS  HN     30 ILE  HG13    5.43
 31 LYS  HN     30 ILE  QD1     6.00
 31 LYS  HN     30 ILE  QG2     5.24
 31 LYS  QB     28 THR  HA      5.90
 31 LYS  QB     31 LYS  HA      3.55
 31 LYS  QB     31 LYS  HN      2.80
 31 LYS  QG     31 LYS  HN      3.27
 31 LYS  QG     31 LYS  QB      2.63
 32 ARG  HG2    29 TYR  QD      6.12
 32 ARG  HG2    32 ARG  HA      3.98
 32 ARG  HG2    32 ARG  HE      2.96
 32 ARG  HG3    32 ARG  HA      3.60
 32 ARG  HG3    32 ARG  HE      2.90
 32 ARG  QB     32 ARG  HA      2.68
 32 ARG  QD     32 ARG  HA      5.65
 32 ARG  QD     32 ARG  HE      2.92
 32 ARG  QD     32 ARG  HG2     3.22
 32 ARG  QD     32 ARG  HG3     3.25
 32 ARG  QD     32 ARG  QB      3.89
 33 GLU  HA     29 TYR  QE      5.19
 33 GLU  HA     33 GLU  HN      2.47
 33 GLU  HB2    30 ILE  HA      5.70
 33 GLU  HB2    33 GLU  HA      3.54
 33 GLU  HB2    33 GLU  HN      3.80
 33 GLU  HB3    33 GLU  HA      2.86
 33 GLU  HB3    33 GLU  HN      3.72
 33 GLU  HG2     8 TRP  HZ2     4.08
 33 GLU  HG2    30 ILE  HA      4.45
 33 GLU  HG2    33 GLU  HA      5.09
 33 GLU  HG2    33 GLU  HB2     2.95
 33 GLU  HG2    33 GLU  HB3     3.66
 33 GLU  HG3     8 TRP  HZ2     3.38
 33 GLU  HG3    29 TYR  QE      6.15
 33 GLU  HG3    33 GLU  HA      5.24
 33 GLU  HG3    33 GLU  HB2     4.65
 33 GLU  HG3    33 GLU  HB3     3.15
 33 GLU  HG3    33 GLU  HN      2.64
 33 GLU  HN     32 ARG  HA      3.66
 33 GLU  HN     32 ARG  HG2     2.98
 34 CYS  HA     34 CYS  HN      3.13
 34 CYS  HB2    34 CYS  HA      3.04
 34 CYS  HB2    34 CYS  HN      3.21
 34 CYS  HB3    34 CYS  HN      2.89
 34 CYS  HN     30 ILE  HA      5.16
 34 CYS  HN     31 LYS  HA      4.36
 34 CYS  HN     33 GLU  HA      4.65
 34 CYS  HN     33 GLU  HB2     5.31
 34 CYS  HN     33 GLU  HB3     5.52
 34 CYS  HN     33 GLU  HN      2.76
 35 GLY  HA1    35 GLY  HN      2.86
 35 GLY  HA2    35 GLY  HN      2.29
 35 GLY  HN     34 CYS  HA      4.46
 35 GLY  HN     34 CYS  HB2     5.22
 35 GLY  HN     34 CYS  HB3     3.65
 35 GLY  HN     34 CYS  HN      2.88
 36 LYS  HA     35 GLY  HA2     5.60
 36 LYS  HA     36 LYS  HN      3.09
 36 LYS  HB2    36 LYS  HA      2.72
 36 LYS  HB2    36 LYS  HN      2.50
 36 LYS  HB3    36 LYS  HA      5.21
 36 LYS  HB3    36 LYS  HN      3.72
 36 LYS  HN     35 GLY  HN      2.86
 36 LYS  QE     33 GLU  HA      5.63
 36 LYS  QG     36 LYS  HA      3.37
 36 LYS  QG     36 LYS  HN      4.93
 37 LEU  HA     37 LEU  HN      3.79
 37 LEU  HB2    37 LEU  HA      2.67
 37 LEU  HB2    37 LEU  HN      3.58
 37 LEU  HN     34 CYS  HA      6.63
 37 LEU  HN     36 LYS  HA      3.38
 37 LEU  QD1    37 LEU  HA      3.53
 37 LEU  QD1    37 LEU  HB2     4.64
 37 LEU  QD1    37 LEU  HN      6.97
 37 LEU  QD2    12 CYS  HB2     7.08
 37 LEU  QD2    34 CYS  HA      4.11
 37 LEU  QD2    37 LEU  HN      7.01
 41 TRP  HD1    10 THR  QG2     5.68
 41 TRP  HD1    41 TRP  HA      5.81
 41 TRP  HD1    41 TRP  HE1     3.47
 41 TRP  HE1    11 VAL  HA      5.02
 41 TRP  HE3    41 TRP  HB2     5.12
 41 TRP  HH2    11 VAL  HB      5.82
 41 TRP  HZ2    10 THR  QG2     5.49
 41 TRP  HZ2    11 VAL  HB      5.75
 41 TRP  HZ2    14 THR  HB      4.00
 41 TRP  HZ2    14 THR  QG2     4.46
 41 TRP  HZ2    41 TRP  HE1     5.30
 41 TRP  HZ3    15 VAL  QG1     6.76
 42 SER  HA     42 SER  HN      5.11
 42 SER  HB2    42 SER  HN      4.54
 42 SER  HB3    42 SER  HN      5.20
 42 SER  HN     41 TRP  HB2     5.27
 42 SER  HN     41 TRP  HB3     5.73
 42 SER  HN     41 TRP  HD1     4.64
 43 THR  HA     43 THR  HN      3.61
 43 THR  HB     43 THR  HN      3.24
 43 THR  HN     42 SER  HA      3.82
 43 THR  HN     42 SER  HB3     5.04
 43 THR  QG2    43 THR  HA      3.60
 43 THR  QG2    43 THR  HN      6.67
 44 ILE  HA     44 ILE  HN      2.71
 44 ILE  HB     44 ILE  HA      3.06
 44 ILE  HB     44 ILE  HN      2.86
 44 ILE  HG12   44 ILE  HA      4.49
 44 ILE  HG12   44 ILE  HN      4.75
 44 ILE  HG13   44 ILE  HA      4.64
 44 ILE  HG13   44 ILE  HN      5.28
 44 ILE  HN     43 THR  HB      2.78
 44 ILE  HN     43 THR  HN      3.65
 44 ILE  QG2    44 ILE  HA      2.39
 45 VAL  HA      7 ILE  QD1     3.53
 45 VAL  HA      7 ILE  QG2     6.98
 45 VAL  HA     45 VAL  HN      3.61
 45 VAL  HB     42 SER  HN      5.44
 45 VAL  HB     45 VAL  HA      4.27
 45 VAL  HB     45 VAL  HN      4.18
 45 VAL  HN     44 ILE  HA      3.87
 45 VAL  HN     44 ILE  HB      3.82
 45 VAL  HN     44 ILE  HG13    5.79
 45 VAL  HN     44 ILE  HN      5.42
 45 VAL  QG1    10 THR  QG2     6.70
 45 VAL  QG1    11 VAL  QG1     3.70
 45 VAL  QG1    41 TRP  HB3     5.76
 45 VAL  QG1    41 TRP  HE3     5.31
 45 VAL  QG1    45 VAL  HA      4.32
 45 VAL  QG2     7 ILE  HA      4.10
 45 VAL  QG2    11 VAL  QG1     7.33
 45 VAL  QG2    41 TRP  HB3     5.96
 45 VAL  QG2    42 SER  HN      6.74
 45 VAL  QG2    45 VAL  HA      2.94
 45 VAL  QG2    45 VAL  HN      3.12
 46 LYS  HA     41 TRP  HE3     5.41
 46 LYS  HA     46 LYS  HN      5.00
 46 LYS  HN     45 VAL  HA      4.98
 46 LYS  HN     45 VAL  HN      3.47
 46 LYS  HN     45 VAL  QG1     6.61
 46 LYS  QB     43 THR  HA      4.30
 46 LYS  QB     46 LYS  HA      2.55
 46 LYS  QB     46 LYS  HN      3.42
 47 LEU  HA     47 LEU  HN      3.03
 47 LEU  HB2    47 LEU  HN      3.99
 47 LEU  HB3    47 LEU  HA      3.38
 47 LEU  HB3    47 LEU  HN      3.24
 47 LEU  HG     43 THR  HA      4.03
 47 LEU  HG     47 LEU  HN      3.00
 47 LEU  HN     44 ILE  HA      5.26
 47 LEU  HN     46 LYS  QB      6.32
 48 THR  HB      7 ILE  QG2     5.14
 48 THR  HB     11 VAL  QG1     6.32
 48 THR  HB     45 VAL  QG1     5.26
 48 THR  HB     48 THR  HN      3.87
 48 THR  HN      7 ILE  QD1     7.80
 48 THR  HN     45 VAL  HA      6.12
 48 THR  HN     45 VAL  QG2     7.15
 48 THR  HN     47 LEU  HB2     5.51
 48 THR  HN     47 LEU  HB3     4.16
 48 THR  HN     47 LEU  HN      4.73
 48 THR  QG2     7 ILE  QD1     5.75
 48 THR  QG2     7 ILE  QG2     5.42
 49 ILE  HA     49 ILE  HN      4.46
 49 ILE  HB     41 TRP  HH2     4.42
 49 ILE  HB     41 TRP  HZ2     6.97
 49 ILE  HB     49 ILE  HA      4.01
 49 ILE  HB     49 ILE  HN      6.12
 49 ILE  HG12   11 VAL  QG1     7.06
 49 ILE  HG12   41 TRP  HH2     5.91
 49 ILE  HG12   41 TRP  HZ3     6.03
 49 ILE  HG12   49 ILE  HA      3.65
 49 ILE  HG12   49 ILE  HB      3.03
 49 ILE  HG12   49 ILE  HN      5.60
 49 ILE  HN     45 VAL  HA      7.30
 49 ILE  HN     48 THR  HB      4.66
 49 ILE  HN     48 THR  HN      3.84
 49 ILE  QD1     3 ILE  QD1     5.05
 49 ILE  QD1     3 ILE  QG2     7.54
 49 ILE  QD1     8 TRP  HZ3     5.95
 49 ILE  QD1    49 ILE  HA      2.80
 49 ILE  QD1    49 ILE  HB      4.28
 49 ILE  QD1    49 ILE  HN      7.69
 49 ILE  QG2    11 VAL  QG1     5.05
 49 ILE  QG2    41 TRP  HZ3     4.34
 49 ILE  QG2    45 VAL  QG1     6.12
 49 ILE  QG2    46 LYS  HA      3.67
 49 ILE  QG2    49 ILE  HA      6.47
 49 ILE  QG2    49 ILE  HG12    4.00
 49 ILE  QG2    49 ILE  HN      3.49
 50 CYS  HA     50 CYS  HN      3.86
 50 CYS  HB2    50 CYS  HA      3.86
 50 CYS  HB2    50 CYS  HN      2.93
 50 CYS  HB3    50 CYS  HA      3.98
 50 CYS  HB3    50 CYS  HN      4.32
 50 CYS  HN     47 LEU  HA      4.82
 50 CYS  HN     49 ILE  HB      6.46
 50 CYS  HN     49 ILE  HN      2.90
 50 CYS  HN     49 ILE  QG2     5.48
 51 PRO  HD2    51 PRO  HG3     2.81
 51 PRO  HD2    51 PRO  QB      3.25
 51 PRO  HD3    50 CYS  HN      3.25
 51 PRO  HD3    51 PRO  HG3     3.24
 51 PRO  HD3    51 PRO  QB      3.36
 51 PRO  HG2    51 PRO  QB      2.71
 52 THR  HA     52 THR  HN      3.01
 52 THR  HB     52 THR  HN      3.15
 52 THR  HN     51 PRO  HD2     4.97
 52 THR  HN     51 PRO  HD3     4.73
 52 THR  HN     51 PRO  QB      4.35
 52 THR  QG2     8 TRP  HH2     7.55
 52 THR  QG2    30 ILE  QD1     7.77
 52 THR  QG2    52 THR  HA      2.76
 53 LEU  HA     53 LEU  HN      3.35
 53 LEU  HB2    50 CYS  HA      3.14
 53 LEU  HB2    53 LEU  HA      3.47
 53 LEU  HB2    53 LEU  HN      4.09
 53 LEU  HB3    53 LEU  HA      5.43
 53 LEU  HB3    53 LEU  HN      4.38
 53 LEU  HG     49 ILE  HB      3.89
 53 LEU  HG     49 ILE  HG12    3.32
 53 LEU  HG     49 ILE  QD1     4.91
 53 LEU  HG     53 LEU  HN      5.46
 53 LEU  HN     49 ILE  HG12    5.39
 53 LEU  HN     50 CYS  HA      5.40
 53 LEU  HN     52 THR  HA      3.38
 53 LEU  HN     52 THR  HB      3.90
 53 LEU  HN     52 THR  HN      4.06
 53 LEU  QD1    11 VAL  HB      5.79
 53 LEU  QD1    14 THR  QG2     7.29
 53 LEU  QD1    15 VAL  HA      4.53
 53 LEU  QD1    18 TRP  HZ3     5.20
 53 LEU  QD1    53 LEU  HB3     3.38
 53 LEU  QD1    53 LEU  HN      5.45
 53 LEU  QD2    18 TRP  HZ3     4.08
 53 LEU  QD2    53 LEU  HA      5.78
 53 LEU  QD2    53 LEU  HB3     3.94
 53 LEU  QD2    53 LEU  HN      5.93
 54 LYS  HA     54 LYS  HN      3.30
 54 LYS  HN     53 LEU  HA      6.23
 54 LYS  HN     53 LEU  HB3     4.49
 54 LYS  HN     53 LEU  HN      4.90
 54 LYS  QB     54 LYS  HA      2.82
 54 LYS  QB     54 LYS  HN      3.42
 54 LYS  QD     54 LYS  HA      3.39
 54 LYS  QD     54 LYS  HN      3.72
 54 LYS  QG     50 CYS  HA      3.66
 54 LYS  QG     54 LYS  HA      4.85
 54 LYS  QG     54 LYS  HN      5.76
 54 LYS  QG     54 LYS  QB      3.88
 55 SER  HA     55 SER  HN      2.82
 55 SER  HB2    55 SER  HA      3.87
 55 SER  HB2    55 SER  HN      3.53
 55 SER  HN     54 LYS  HA      5.05
 55 SER  HN     54 LYS  HN      3.42
 55 SER  HN     54 LYS  QB      2.77
 55 SER  HN     54 LYS  QG      7.21
 56 MET  HA     56 MET  HN      2.75
 56 MET  HB2    26 ILE  QG2     4.93
 56 MET  HB2    56 MET  HA      2.75
 56 MET  HB2    56 MET  HN      4.22
 56 MET  HB3    26 ILE  QG2     6.38
 56 MET  HB3    27 ALA  HN      4.12
 56 MET  HB3    56 MET  HA      2.86
 56 MET  HB3    56 MET  HN      3.14
 56 MET  HN     55 SER  HA      3.87
 56 MET  HN     55 SER  HN      3.30
 56 MET  QE     18 TRP  HB3     4.78
 56 MET  QE     56 MET  HB3     3.06
 56 MET  QG     56 MET  HA      3.14
 56 MET  QG     56 MET  HB2     4.52
 56 MET  QG     56 MET  HB3     3.41
 56 MET  QG     56 MET  HN      6.23
 57 ALA  HA     57 ALA  HN      3.12
 57 ALA  HN     54 LYS  HA      4.28
 57 ALA  HN     56 MET  HA      4.09
 57 ALA  HN     56 MET  HB2     3.67
 57 ALA  HN     56 MET  QG      6.15
 57 ALA  QB     54 LYS  HA      5.61
 57 ALA  QB     57 ALA  HN      3.00
 58 LYS  HA     58 LYS  HN      2.98
 58 LYS  HB2    58 LYS  HN      2.32
 58 LYS  HB3    58 LYS  HA      2.92
 58 LYS  HN     56 MET  HB3     5.70
 58 LYS  HN     57 ALA  HA      5.22
 58 LYS  HN     57 ALA  HN      3.24
 58 LYS  HN     57 ALA  QB      4.21
 59 LYS  HA     59 LYS  HN      4.49
 59 LYS  HB2    59 LYS  HA      3.29
 59 LYS  HB2    59 LYS  HN      5.15
 59 LYS  HB3    59 LYS  HA      5.12
 59 LYS  HB3    59 LYS  HN      2.81
 59 LYS  HG2    24 GLY  HA2     3.85
 59 LYS  HG3    59 LYS  HN      3.62
 59 LYS  HN     58 LYS  HA      3.93
 59 LYS  HN     58 LYS  HN      2.59
 60 CYS  HA     22 CYS  HA      4.18
 60 CYS  HN     59 LYS  HB3     5.17
 60 CYS  HN     59 LYS  HN      2.62
 60 CYS  QB     60 CYS  HN      3.14
 61 GLU  HA     61 GLU  HN      2.95
 61 GLU  HB2    61 GLU  HA      3.06
 61 GLU  HB2    61 GLU  HN      4.14
 61 GLU  HB3    61 GLU  HA      2.85
 61 GLU  HB3    61 GLU  HN      3.44
 61 GLU  HG2    61 GLU  HA      4.47
 61 GLU  HG2    61 GLU  HB3     3.07
 61 GLU  HG3    61 GLU  HA      3.47
 61 GLU  HN     60 CYS  HA      4.08
 61 GLU  HN     60 CYS  QB      4.25
 62 GLY  HA1    62 GLY  HN      2.72
 62 GLY  HA2    62 GLY  HN      2.64
 62 GLY  HN     61 GLU  HA      2.29
 62 GLY  HN     61 GLU  HB2     3.99
 62 GLY  HN     61 GLU  HB3     3.53
 62 GLY  HN     61 GLU  HN      5.48
 64 ILE  HA     64 ILE  HN      4.08
 64 ILE  HB     60 CYS  QB      3.97
 64 ILE  HB     64 ILE  HN      4.17
 64 ILE  HG12   18 TRP  HA      5.89
 64 ILE  HG12   18 TRP  HD1     6.07
 64 ILE  HG12   64 ILE  HA      4.50
 64 ILE  HG12   64 ILE  HB      5.24
 64 ILE  HG12   64 ILE  HN      4.30
 64 ILE  HG13   64 ILE  HA      5.03
 64 ILE  HG13   64 ILE  HB      5.86
 64 ILE  HN     60 CYS  QB      5.83
 64 ILE  HN     61 GLU  HB2     4.87
 64 ILE  HN     63 SER  HN      3.51
 64 ILE  QD1    17 PRO  HG3     7.35
 64 ILE  QD1    18 TRP  HD1     4.29
 64 ILE  QD1    21 LYS  HB3     7.97
 64 ILE  QD1    64 ILE  HA      3.91
 64 ILE  QD1    64 ILE  QG2     6.54
 64 ILE  QG2    18 TRP  HB3     3.84
 64 ILE  QG2    18 TRP  HD1     7.84
 64 ILE  QG2    61 GLU  HB2     4.52
 64 ILE  QG2    64 ILE  HA      3.99
 64 ILE  QG2    64 ILE  HG12    4.81
 64 ILE  QG2    64 ILE  HN      4.21
 65 ALA  HA     64 ILE  QG2     5.05
 65 ALA  HA     65 ALA  HN      3.95
 65 ALA  HN     64 ILE  HA      5.66
 65 ALA  HN     64 ILE  HB      3.71
 65 ALA  HN     64 ILE  HN      3.41
 65 ALA  QB     60 CYS  QB      4.24
 65 ALA  QB     65 ALA  HN      2.45
 66 THR  HA     66 THR  HN      3.51
 66 THR  HB     66 THR  HA      4.20
 66 THR  HB     66 THR  HN      2.69
 66 THR  HN     65 ALA  QB      5.59
 66 THR  QG2    66 THR  HA      3.54
 67 MET  HA     67 MET  HN      2.93
 67 MET  HB2    67 MET  HN      2.97
 67 MET  HB3    67 MET  HA      3.16
 67 MET  HB3    67 MET  HN      4.23
 67 MET  HG2    18 TRP  HZ2     7.46
 67 MET  HG2    67 MET  HA      2.95
 67 MET  HG2    67 MET  HB2     3.10
 67 MET  HG2    67 MET  HN      4.33
 67 MET  HG3    64 ILE  HA      4.45
 67 MET  HG3    67 MET  HA      4.74
 67 MET  HG3    67 MET  HB3     2.93
 67 MET  HG3    67 MET  HN      3.01
 67 MET  HN     66 THR  HB      2.89
 67 MET  HN     66 THR  HN      3.16
 67 MET  HN     66 THR  QG2     6.32
 68 ILE  HA     18 TRP  HH2     4.97
 68 ILE  HA     68 ILE  HN      4.00
 68 ILE  HB     18 TRP  HZ3     7.95
 68 ILE  HB     65 ALA  HA      3.57
 68 ILE  HB     68 ILE  HA      4.16
 68 ILE  HB     68 ILE  HN      3.70
 68 ILE  HN     65 ALA  HA      3.72
 68 ILE  HN     67 MET  HN      3.27
 68 ILE  QD1    18 TRP  HE3     3.49
 68 ILE  QD1    68 ILE  HA      4.82
 68 ILE  QD1    68 ILE  HB      4.16
 68 ILE  QD1    68 ILE  HN      5.32
 69 LYS  HB2    69 LYS  HA      3.36
 69 LYS  HB2    69 LYS  HN      2.89
 69 LYS  HB3    66 THR  HA      2.98
 69 LYS  HB3    69 LYS  HA      4.01
 69 LYS  HB3    69 LYS  HN      4.23
 69 LYS  HN     68 ILE  HA      6.42
 69 LYS  HN     68 ILE  HB      4.20
 69 LYS  HN     68 ILE  HN      4.54
 69 LYS  HN     68 ILE  QD1     7.79
 70 LYS  HA     70 LYS  HN      3.96
 71 LYS  HA     71 LYS  HN      3.11
 71 LYS  HB2    71 LYS  HN      2.86
 71 LYS  HB3    18 TRP  HH2     5.83
 71 LYS  HB3    18 TRP  HZ3     6.42
 71 LYS  HB3    53 LEU  QD1     7.18
 71 LYS  HB3    71 LYS  HN      3.13
 71 LYS  HN     68 ILE  HA      5.37
 71 LYS  QG     18 TRP  HH2     4.23
 71 LYS  QG     71 LYS  HA      4.32
 72 CYS  HB2    72 CYS  HN      2.36
 72 CYS  HB3    50 CYS  HB3     4.07
 72 CYS  HN     71 LYS  HA      3.46
 72 CYS  HN     71 LYS  HB3     3.28
 72 CYS  HN     71 LYS  HN      3.22
 73 ASP  HN     69 LYS  HA      4.36
 73 ASP  QB     73 ASP  HA      4.61
 73 ASP  QB     73 ASP  HN      4.58

#
#  Upper distance constraints for hydrogen and disulfide bonds
#
  8 TRP  HN      4 PRO  O       2.00
  8 TRP  N       4 PRO  O       3.00
  9 GLU  HN      5 LYS  O       2.00
  9 GLU  N       5 LYS  O       3.00
 10 THR  HN      6 LYS  O       2.00
 10 THR  N       6 LYS  O       3.00
 11 VAL  HN      7 ILE  O       2.00
 11 VAL  N       7 ILE  O       3.00
 12 CYS  HN      8 TRP  O       2.00
 12 CYS  N       8 TRP  O       3.00
 15 VAL  HN     11 VAL  O       2.00
 15 VAL  N      11 VAL  O       3.00
 16 GLU  HN     12 CYS  O       2.00
 16 GLU  N      12 CYS  O       3.00
 19 ALA  HN     15 VAL  O       2.00
 19 ALA  N      15 VAL  O       3.00
 28 THR  HN     24 GLY  O       2.00
 28 THR  N      24 GLY  O       3.00
 29 TYR  HN     25 ASP  O       2.00
 29 TYR  N      25 ASP  O       3.00
 30 ILE  HN     26 ILE  O       2.00
 30 ILE  N      26 ILE  O       3.00
 31 LYS  HN     27 ALA  O       2.00
 31 LYS  N      27 ALA  O       3.00
 32 ARG  HN     28 THR  O       2.00
 32 ARG  N      28 THR  O       3.00
 33 GLU  HN     29 TYR  O       2.00
 33 GLU  N      29 TYR  O       3.00
 34 CYS  HN     30 ILE  O       2.00
 34 CYS  N      30 ILE  O       3.00
 47 LEU  HN     43 THR  O       2.00
 47 LEU  N      43 THR  O       3.00
 48 THR  HN     44 ILE  O       2.00
 48 THR  N      44 ILE  O       3.00
 49 ILE  HN     45 VAL  O       2.00
 49 ILE  N      45 VAL  O       3.00
 50 CYS  HN     46 LYS  O       2.00
 50 CYS  N      46 LYS  O       3.00
 53 LEU  HN     49 ILE  O       2.00
 53 LEU  N      49 ILE  O       3.00
 54 LYS  HN     50 CYS  O       2.00
 54 LYS  N      50 CYS  O       3.00
 55 SER  HN     51 PRO  O       2.00
 55 SER  N      51 PRO  O       3.00
 56 MET  HN     52 THR  O       2.00
 56 MET  N      52 THR  O       3.00
 57 ALA  HN     53 LEU  O       2.00
 57 ALA  N      53 LEU  O       3.00
 67 MET  HN     63 SER  O       2.00
 67 MET  N      63 SER  O       3.00
 68 ILE  HN     64 ILE  O       2.00
 68 ILE  N      64 ILE  O       3.00
 69 LYS  HN     65 ALA  O       2.00
 69 LYS  N      65 ALA  O       3.00
 70 LYS  HN     66 THR  O       2.00
 70 LYS  N      66 THR  O       3.00
 71 LYS  HN     67 MET  O       2.00
 71 LYS  N      67 MET  O       3.00
 72 CYS  HN     68 ILE  O       2.00
 72 CYS  N      68 ILE  O       3.00
 22 CYSS SG     60 CYSS SG      2.10
 22 CYSS SG     60 CYSS CB      3.10
 22 CYSS CB     60 CYSS SG      3.10
 12 CYSS SG     34 CYSS SG      2.10
 12 CYSS SG     34 CYSS CB      3.10
 12 CYSS CB     34 CYSS SG      3.10
 50 CYSS SG     72 CYSS SG      2.10
 50 CYSS SG     72 CYSS CB      3.10
 50 CYSS CB     72 CYSS SG      3.10

#
# Lower interproton distance constraints
#

  2 VAL  HB      2 VAL  HA      1.52
  2 VAL  HB      2 VAL  HN      1.57
  2 VAL  HN      1 GLY  QA      2.07
  2 VAL  QG1     2 VAL  HA      3.71
  2 VAL  QG2     2 VAL  HA      3.33
  3 ILE  HB      3 ILE  HN      1.66
  3 ILE  HG12    3 ILE  HA      1.99
  3 ILE  HG12    3 ILE  HN      2.54
  3 ILE  HG13    3 ILE  HA      1.74
  3 ILE  HG13    3 ILE  HN      2.17
  3 ILE  HN      2 VAL  HB      2.13
  3 ILE  QD1     3 ILE  HB      2.55
  3 ILE  QD1     3 ILE  HN      3.15
  3 ILE  QD1     3 ILE  QG2     2.93
  3 ILE  QG2     3 ILE  HA      2.80
  3 ILE  QG2     3 ILE  HG12    2.79
  3 ILE  QG2     3 ILE  HG13    2.98
  4 PRO  HD2     3 ILE  QG2     2.80
  4 PRO  HD2     4 PRO  HG2     2.06
  4 PRO  HD3     3 ILE  QG2     3.24
  4 PRO  HD3     4 PRO  HG2     2.25
  4 PRO  HD3     4 PRO  HG3     2.21
  4 PRO  HG2     4 PRO  HA      2.04
  4 PRO  HG3     4 PRO  HA      2.00
  4 PRO  HG3     4 PRO  QB      1.67
  4 PRO  QB      4 PRO  HA      2.29
  5 LYS  HA      5 LYS  HN      1.93
  5 LYS  HB2     5 LYS  HA      1.98
  5 LYS  HB2     5 LYS  HN      1.83
  5 LYS  HB3     5 LYS  HA      1.92
  5 LYS  HB3     5 LYS  HN      1.50
  5 LYS  HG3     5 LYS  HA      1.65
  5 LYS  HG3     5 LYS  HN      2.03
  5 LYS  HN      4 PRO  HA      1.34
  5 LYS  HN      4 PRO  QB      3.15
  6 LYS  HA      6 LYS  HN      1.46
  6 LYS  QB      6 LYS  HN      2.09
  6 LYS  QD      6 LYS  HA      1.82
  6 LYS  QD      6 LYS  HN      3.14
  6 LYS  QD      6 LYS  QG      2.87
  6 LYS  QE      6 LYS  QD      2.43
  6 LYS  QE      6 LYS  QG      2.79
  6 LYS  QG      6 LYS  HA      1.69
  6 LYS  QG      6 LYS  HN      3.09
  7 ILE  HA      7 ILE  HN      1.45
  7 ILE  HB      7 ILE  HA      1.61
  7 ILE  HB      7 ILE  HN      1.62
  7 ILE  HG12    7 ILE  HB      1.48
  7 ILE  HG12    7 ILE  HN      1.36
  7 ILE  HG13    3 ILE  QG2     2.41
  7 ILE  HG13    4 PRO  HD3     1.82
  7 ILE  HG13    7 ILE  HA      1.54
  7 ILE  HG13    7 ILE  HB      1.62
  7 ILE  HG13    7 ILE  HN      1.50
  7 ILE  HN      3 ILE  QG2     2.85
  7 ILE  HN      6 LYS  HN      1.60
  7 ILE  QD1     7 ILE  HA      1.62
  7 ILE  QD1     7 ILE  QG2     2.61
  7 ILE  QG2     3 ILE  QG2     2.92
  7 ILE  QG2     7 ILE  HA      1.90
  7 ILE  QG2     7 ILE  HG12    2.70
  7 ILE  QG2     7 ILE  HG13    1.98
  7 ILE  QG2     7 ILE  HN      2.70
  8 TRP  HA      8 TRP  HN      2.45
  8 TRP  HB2     5 LYS  HA      2.04
  8 TRP  HB2     8 TRP  HN      2.08
  8 TRP  HB3     8 TRP  HN      2.38
  8 TRP  HD1     3 ILE  HB      1.75
  8 TRP  HD1     3 ILE  QG2     3.15
  8 TRP  HD1     5 LYS  HN      2.17
  8 TRP  HD1     8 TRP  HB2     1.81
  8 TRP  HD1     8 TRP  HE1     1.56
  8 TRP  HE1     3 ILE  HB      1.86
  8 TRP  HE1     3 ILE  HN      1.98
  8 TRP  HE1     3 ILE  QG2     2.61
  8 TRP  HE3     8 TRP  HA      2.25
  8 TRP  HE3     8 TRP  HB3     2.58
  8 TRP  HN      3 ILE  QG2     2.79
  8 TRP  HN      5 LYS  HA      2.27
  8 TRP  HN      7 ILE  HB      1.58
  8 TRP  HN      7 ILE  HN      1.57
  8 TRP  HN      7 ILE  QG2     3.37
  8 TRP  HZ2     3 ILE  QD1     2.23
  8 TRP  HZ2     3 ILE  QG2     2.89
  8 TRP  HZ2     8 TRP  HE1     1.86
  9 GLU  HA      9 GLU  HN      1.71
  9 GLU  HB2     9 GLU  HN      1.94
  9 GLU  HB3     9 GLU  HA      1.74
  9 GLU  HB3     9 GLU  HN      2.11
  9 GLU  HG2     9 GLU  HA      1.51
  9 GLU  HG2     9 GLU  HB3     1.65
  9 GLU  HG3     9 GLU  HB2     1.80
  9 GLU  HG3     9 GLU  HB3     2.02
  9 GLU  HG3     9 GLU  HN      1.67
  9 GLU  HN      5 LYS  HG2     2.16
  9 GLU  HN      6 LYS  HA      1.80
  9 GLU  HN      6 LYS  QG      2.93
  9 GLU  HN      8 TRP  HB2     1.98
  9 GLU  HN      8 TRP  HB3     2.49
  9 GLU  HN      8 TRP  HN      1.83
 10 THR  HA     10 THR  HN      2.07
 10 THR  HB     10 THR  HN      1.30
 10 THR  HN      7 ILE  HA      1.53
 10 THR  HN      9 GLU  HB2     1.95
 10 THR  HN      9 GLU  HB3     2.56
 10 THR  HN      9 GLU  HN      1.62
 11 VAL  HA     11 VAL  HN      1.91
 11 VAL  HB     11 VAL  HA      1.38
 11 VAL  HB     11 VAL  HN      2.09
 11 VAL  HN      8 TRP  HA      2.68
 11 VAL  HN     10 THR  HB      1.64
 11 VAL  HN     10 THR  HN      1.46
 11 VAL  QG1     7 ILE  QG2     3.20
 11 VAL  QG1    10 THR  QG2     3.01
 11 VAL  QG1    11 VAL  HA      1.95
 11 VAL  QG1    11 VAL  HN      2.00
 11 VAL  QG2     7 ILE  QG2     2.86
 11 VAL  QG2     8 TRP  HA      2.30
 11 VAL  QG2     8 TRP  HE3     2.25
 11 VAL  QG2     8 TRP  HH2     2.26
 11 VAL  QG2     8 TRP  HZ3     2.83
 11 VAL  QG2    11 VAL  HN      1.80
 12 CYS  HA     11 VAL  QG2     2.68
 12 CYS  HA     12 CYS  HN      2.51
 12 CYS  HB2    12 CYS  HN      1.61
 12 CYS  HB3    12 CYS  HA      2.22
 12 CYS  HB3    12 CYS  HN      2.36
 12 CYS  HN     11 VAL  HA      2.41
 12 CYS  HN     11 VAL  HN      1.68
 12 CYS  HN     11 VAL  QG2     2.29
 13 PRO  HB2    13 PRO  HA      1.38
 13 PRO  HB3    13 PRO  HA      1.71
 13 PRO  HD2    12 CYS  HB2     2.71
 13 PRO  HD2    12 CYS  HN      2.33
 13 PRO  HD2    13 PRO  HA      2.55
 13 PRO  HD2    13 PRO  HB3     2.61
 13 PRO  HD2    13 PRO  HG2     2.43
 13 PRO  HD2    13 PRO  HG3     2.81
 13 PRO  HD3    12 CYS  HN      2.06
 13 PRO  HD3    13 PRO  HA      1.86
 13 PRO  HD3    13 PRO  HB2     1.98
 13 PRO  HD3    13 PRO  HG2     1.69
 13 PRO  HD3    13 PRO  HG3     2.15
 13 PRO  HG2    13 PRO  HA      2.01
 13 PRO  HG2    13 PRO  HB3     2.14
 13 PRO  HG3    13 PRO  HA      2.44
 13 PRO  HG3    13 PRO  HB2     2.33
 14 THR  HA     14 THR  HN      2.07
 14 THR  HB     11 VAL  HA      1.95
 14 THR  HB     14 THR  HN      1.54
 14 THR  HN     11 VAL  HA      2.24
 14 THR  HN     13 PRO  HB2     2.38
 14 THR  HN     13 PRO  HB3     2.19
 14 THR  HN     13 PRO  HD3     2.10
 14 THR  HN     13 PRO  HG2     1.80
 14 THR  QG2    14 THR  HA      2.54
 14 THR  QG2    14 THR  HN      2.33
 15 VAL  HA     14 THR  QG2     2.72
 15 VAL  HA     15 VAL  HN      1.85
 15 VAL  HB     11 VAL  QG2     2.05
 15 VAL  HB     15 VAL  HA      1.46
 15 VAL  HB     15 VAL  HN      1.70
 15 VAL  HN     12 CYS  HA      2.41
 15 VAL  HN     14 THR  HB      1.52
 15 VAL  HN     14 THR  HN      1.41
 15 VAL  HN     14 THR  QG2     3.24
 15 VAL  QG1    14 THR  HN      2.59
 15 VAL  QG1    14 THR  QG2     3.25
 15 VAL  QG1    15 VAL  HN      2.17
 16 GLU  HA     16 GLU  HN      2.03
 16 GLU  HB2    16 GLU  HN      1.55
 16 GLU  HB3    16 GLU  HN      1.73
 16 GLU  HN     12 CYS  HA      2.26
 16 GLU  HN     14 THR  HN      1.62
 16 GLU  HN     15 VAL  HA      2.44
 16 GLU  HN     15 VAL  HN      1.70
 16 GLU  QG     16 GLU  HB3     2.07
 16 GLU  QG     16 GLU  HN      1.88
 17 PRO  HB3    17 PRO  HA      2.01
 17 PRO  HD2    16 GLU  HB3     1.62
 17 PRO  HD2    16 GLU  HN      1.80
 17 PRO  HD2    17 PRO  HG2     1.93
 17 PRO  HD2    17 PRO  HG3     1.71
 17 PRO  HD3    16 GLU  HB3     1.85
 17 PRO  HD3    16 GLU  HN      1.66
 17 PRO  HD3    17 PRO  HA      2.40
 17 PRO  HD3    17 PRO  HB2     2.66
 17 PRO  HD3    17 PRO  HG2     2.04
 17 PRO  HD3    17 PRO  HG3     1.80
 17 PRO  HG2    17 PRO  HA      1.47
 18 TRP  HA     18 TRP  HN      2.11
 18 TRP  HB2    18 TRP  HA      2.28
 18 TRP  HB2    18 TRP  HN      1.74
 18 TRP  HB3    18 TRP  HN      2.05
 18 TRP  HD1    17 PRO  HB2     2.39
 18 TRP  HD1    17 PRO  HG3     1.64
 18 TRP  HD1    18 TRP  HA      1.30
 18 TRP  HD1    18 TRP  HB2     2.62
 18 TRP  HD1    18 TRP  HB3     1.98
 18 TRP  HD1    18 TRP  HE1     1.30
 18 TRP  HD1    18 TRP  HN      1.54
 18 TRP  HE1    14 THR  QG2     3.02
 18 TRP  HE1    17 PRO  HB2     2.15
 18 TRP  HE1    17 PRO  HG3     2.29
 18 TRP  HE3    15 VAL  HA      1.72
 18 TRP  HE3    15 VAL  HB      1.46
 18 TRP  HE3    18 TRP  HB2     1.86
 18 TRP  HE3    18 TRP  HB3     2.05
 18 TRP  HH2    14 THR  QG2     2.59
 18 TRP  HH2    15 VAL  QG1     2.02
 18 TRP  HN     15 VAL  HA      2.27
 18 TRP  HN     17 PRO  HA      2.13
 18 TRP  HN     17 PRO  HB2     2.29
 18 TRP  HN     17 PRO  HB3     2.23
 18 TRP  HN     17 PRO  HD2     2.34
 18 TRP  HN     17 PRO  HD3     2.24
 18 TRP  HN     17 PRO  HG2     2.10
 18 TRP  HZ2    18 TRP  HE1     1.45
 18 TRP  HZ3    15 VAL  HA      1.89
 19 ALA  HA     19 ALA  HN      1.78
 19 ALA  HN     15 VAL  HA      2.37
 19 ALA  HN     16 GLU  HA      2.20
 19 ALA  HN     18 TRP  HB2     1.88
 19 ALA  HN     18 TRP  HB3     1.72
 19 ALA  HN     18 TRP  HN      1.43
 19 ALA  QB     16 GLU  QG      2.88
 19 ALA  QB     18 TRP  HN      2.88
 19 ALA  QB     19 ALA  HN      1.77
 20 LYS  HA     20 LYS  HN      1.84
 20 LYS  HN     17 PRO  HA      2.21
 20 LYS  HN     19 ALA  HN      1.44
 20 LYS  HN     19 ALA  QB      1.91
 20 LYS  QB     20 LYS  HA      2.43
 20 LYS  QB     20 LYS  HN      1.81
 20 LYS  QD     20 LYS  HN      1.78
 20 LYS  QD     20 LYS  QB      2.89
 20 LYS  QE     17 PRO  HA      2.64
 20 LYS  QG     20 LYS  HN      1.91
 20 LYS  QG     20 LYS  QB      1.47
 21 LYS  HA     21 LYS  HN      2.77
 21 LYS  HB2    21 LYS  HA      2.46
 21 LYS  HB2    21 LYS  HN      2.38
 21 LYS  HB3    21 LYS  HA      2.39
 21 LYS  HB3    21 LYS  HN      2.46
 21 LYS  HG2    21 LYS  HA      2.19
 21 LYS  HG2    21 LYS  HB2     2.77
 21 LYS  HG3    21 LYS  HB3     2.54
 21 LYS  HG3    21 LYS  HN      2.11
 21 LYS  HN     20 LYS  HA      2.76
 21 LYS  HN     20 LYS  QG      3.03
 21 LYS  QD     18 TRP  HA      2.73
 21 LYS  QE     21 LYS  HB2     2.60
 22 CYS  HA     22 CYS  HN      2.94
 22 CYS  HB2    22 CYS  HA      2.79
 22 CYS  HB2    22 CYS  HN      2.63
 22 CYS  HB3    19 ALA  HA      1.99
 22 CYS  HB3    22 CYS  HA      2.62
 22 CYS  HB3    22 CYS  HN      2.27
 22 CYS  HN     21 LYS  HA      2.51
 22 CYS  HN     21 LYS  HB3     3.80
 22 CYS  HN     21 LYS  HN      2.26
 23 SER  HN     22 CYS  HA      2.62
 23 SER  HN     22 CYS  HB2     3.15
 23 SER  HN     22 CYS  HB3     2.23
 24 GLY  HA1    24 GLY  HN      2.19
 24 GLY  HA2    24 GLY  HN      3.40
 25 ASP  HA     25 ASP  HN      2.77
 25 ASP  HB2    25 ASP  HN      2.28
 25 ASP  HB3    25 ASP  HA      2.44
 25 ASP  HN     24 GLY  HA1     2.48
 25 ASP  HN     24 GLY  HA2     2.93
 26 ILE  HB     26 ILE  HA      1.81
 26 ILE  HB     26 ILE  HN      1.47
 26 ILE  HG12   26 ILE  HA      2.15
 26 ILE  HG12   26 ILE  HB      2.28
 26 ILE  HG12   26 ILE  HN      1.88
 26 ILE  HG13   26 ILE  HA      2.55
 26 ILE  HG13   26 ILE  HN      2.51
 26 ILE  HN     25 ASP  HA      2.67
 26 ILE  HN     25 ASP  HB2     2.03
 26 ILE  HN     25 ASP  HN      2.39
 26 ILE  QD1    26 ILE  HA      2.24
 27 ALA  HA     27 ALA  HN      2.14
 27 ALA  HN     26 ILE  HB      1.63
 27 ALA  HN     26 ILE  HN      1.56
 27 ALA  QB     22 CYS  HB2     2.46
 27 ALA  QB     27 ALA  HN      1.90
 28 THR  HA     28 THR  HN      1.54
 28 THR  HB     28 THR  HA      2.53
 28 THR  HB     28 THR  HN      2.00
 28 THR  HN     25 ASP  HA      3.04
 28 THR  HN     27 ALA  HN      1.73
 28 THR  HN     27 ALA  QB      2.21
 28 THR  QG2    28 THR  HA      2.24
 29 TYR  HA     29 TYR  HN      2.97
 29 TYR  HB2    29 TYR  HA      1.93
 29 TYR  HB2    29 TYR  HN      1.97
 29 TYR  HB3    29 TYR  HA      2.20
 29 TYR  HB3    29 TYR  HN      1.93
 29 TYR  HN     26 ILE  HA      2.96
 29 TYR  HN     28 THR  HA      2.76
 29 TYR  HN     28 THR  HB      2.45
 29 TYR  HN     28 THR  QG2     3.64
 29 TYR  QD     26 ILE  HA      2.92
 29 TYR  QD     29 TYR  HA      2.68
 29 TYR  QD     29 TYR  HB2     1.81
 29 TYR  QD     29 TYR  HB3     2.01
 29 TYR  QD     29 TYR  HN      3.76
 30 ILE  HA      8 TRP  HH2     2.05
 30 ILE  HA      8 TRP  HZ3     2.01
 30 ILE  HA     30 ILE  HN      1.61
 30 ILE  HB     27 ALA  HA      2.11
 30 ILE  HB     30 ILE  HA      2.00
 30 ILE  HB     30 ILE  HN      1.57
 30 ILE  HG12    8 TRP  HH2     1.90
 30 ILE  HG12    8 TRP  HZ3     2.39
 30 ILE  HG12   30 ILE  HA      1.67
 30 ILE  HG12   30 ILE  HN      1.98
 30 ILE  HG13    8 TRP  HH2     2.16
 30 ILE  HG13   29 TYR  QD      3.62
 30 ILE  HG13   29 TYR  QE      2.90
 30 ILE  HG13   30 ILE  HA      1.64
 30 ILE  HG13   30 ILE  HN      2.36
 30 ILE  HN     26 ILE  HA      2.59
 30 ILE  HN     27 ALA  HA      2.49
 30 ILE  HN     29 TYR  HA      2.78
 30 ILE  HN     29 TYR  HB2     2.12
 30 ILE  HN     29 TYR  HB3     2.16
 30 ILE  HN     29 TYR  HN      2.04
 30 ILE  HN     29 TYR  QD      2.97
 30 ILE  QD1     8 TRP  HH2     2.79
 30 ILE  QD1     8 TRP  HZ3     2.37
 30 ILE  QD1    30 ILE  HA      2.89
 30 ILE  QD1    30 ILE  HN      2.90
 30 ILE  QG2     8 TRP  HZ3     2.53
 30 ILE  QG2    30 ILE  HA      1.95
 31 LYS  HA     30 ILE  QG2     2.69
 31 LYS  HA     31 LYS  HN      1.81
 31 LYS  HD2    31 LYS  HA      2.24
 31 LYS  HD3    31 LYS  HN      2.27
 31 LYS  HE2    28 THR  HA      1.64
 31 LYS  HE2    31 LYS  HD2     2.38
 31 LYS  HE2    31 LYS  QG      2.23
 31 LYS  HE3    26 ILE  QG2     2.69
 31 LYS  HE3    31 LYS  HD2     1.84
 31 LYS  HE3    31 LYS  HD3     2.15
 31 LYS  HE3    31 LYS  QB      3.10
 31 LYS  HN     28 THR  HA      2.00
 31 LYS  HN     30 ILE  HG13    2.77
 31 LYS  HN     30 ILE  QD1     3.14
 31 LYS  HN     30 ILE  QG2     2.90
 31 LYS  QB     28 THR  HA      2.18
 31 LYS  QB     31 LYS  HA      2.09
 31 LYS  QB     31 LYS  HN      1.68
 31 LYS  QG     31 LYS  HN      1.90
 31 LYS  QG     31 LYS  QB      1.82
 32 ARG  HG2    29 TYR  QD      2.89
 32 ARG  HG2    32 ARG  HA      2.68
 32 ARG  HG2    32 ARG  HE      2.04
 32 ARG  HG3    32 ARG  HA      2.53
 32 ARG  HG3    32 ARG  HE      1.89
 32 ARG  QB     32 ARG  HA      2.23
 32 ARG  QD     32 ARG  HA      3.34
 32 ARG  QD     32 ARG  HE      2.12
 32 ARG  QD     32 ARG  HG2     2.25
 32 ARG  QD     32 ARG  HG3     2.43
 32 ARG  QD     32 ARG  QB      2.93
 33 GLU  HA     29 TYR  QE      2.53
 33 GLU  HA     33 GLU  HN      1.78
 33 GLU  HB2    30 ILE  HA      1.81
 33 GLU  HB2    33 GLU  HA      2.11
 33 GLU  HB2    33 GLU  HN      1.66
 33 GLU  HB3    33 GLU  HA      2.17
 33 GLU  HB3    33 GLU  HN      2.00
 33 GLU  HG2     8 TRP  HZ2     1.86
 33 GLU  HG2    30 ILE  HA      2.04
 33 GLU  HG2    33 GLU  HA      2.96
 33 GLU  HG2    33 GLU  HB2     1.99
 33 GLU  HG2    33 GLU  HB3     2.19
 33 GLU  HG3     8 TRP  HZ2     2.10
 33 GLU  HG3    29 TYR  QE      2.33
 33 GLU  HG3    33 GLU  HA      2.54
 33 GLU  HG3    33 GLU  HB2     2.01
 33 GLU  HG3    33 GLU  HB3     1.94
 33 GLU  HG3    33 GLU  HN      1.69
 33 GLU  HN     32 ARG  HA      2.28
 33 GLU  HN     32 ARG  HG2     1.89
 34 CYS  HA     34 CYS  HN      2.51
 34 CYS  HB2    34 CYS  HA      2.65
 34 CYS  HB2    34 CYS  HN      2.73
 34 CYS  HB3    34 CYS  HN      2.37
 34 CYS  HN     30 ILE  HA      2.53
 34 CYS  HN     31 LYS  HA      2.26
 34 CYS  HN     33 GLU  HA      3.07
 34 CYS  HN     33 GLU  HB2     2.41
 34 CYS  HN     33 GLU  HB3     2.62
 34 CYS  HN     33 GLU  HN      1.88
 35 GLY  HA1    35 GLY  HN      2.51
 35 GLY  HA2    35 GLY  HN      1.95
 35 GLY  HN     31 LYS  HE3     2.39
 35 GLY  HN     34 CYS  HA      3.00
 35 GLY  HN     34 CYS  HB2     3.62
 35 GLY  HN     34 CYS  HB3     2.63
 35 GLY  HN     34 CYS  HN      2.23
 36 LYS  HA     35 GLY  HA2     3.26
 36 LYS  HA     36 LYS  HN      2.35
 36 LYS  HB2    36 LYS  HA      2.03
 36 LYS  HB2    36 LYS  HN      1.72
 36 LYS  HB3    36 LYS  HA      2.82
 36 LYS  HB3    36 LYS  HN      1.86
 36 LYS  HN     35 GLY  HN      1.94
 36 LYS  QE     33 GLU  HA      3.04
 36 LYS  QG     36 LYS  HA      2.38
 36 LYS  QG     36 LYS  HN      2.42
 37 LEU  HA     37 LEU  HN      2.65
 37 LEU  HB2    37 LEU  HA      2.12
 37 LEU  HB2    37 LEU  HN      2.67
 37 LEU  HN     34 CYS  HA      3.40
 37 LEU  HN     36 LYS  HA      2.65
 37 LEU  QD1    37 LEU  HA      2.54
 37 LEU  QD1    37 LEU  HB2     2.79
 37 LEU  QD1    37 LEU  HN      3.59
 37 LEU  QD2    12 CYS  HB2     2.33
 37 LEU  QD2    34 CYS  HA      2.60
 37 LEU  QD2    37 LEU  HN      3.26
 41 TRP  HD1    10 THR  QG2     2.55
 41 TRP  HD1    41 TRP  HA      2.54
 41 TRP  HD1    41 TRP  HE1     1.30
 41 TRP  HE1    11 VAL  HA      1.84
 41 TRP  HE3    41 TRP  HB2     1.76
 41 TRP  HH2    11 VAL  HB      1.84
 41 TRP  HZ2    10 THR  QG2     2.20
 41 TRP  HZ2    11 VAL  HB      1.88
 41 TRP  HZ2    14 THR  HB      1.38
 41 TRP  HZ2    14 THR  QG2     2.14
 41 TRP  HZ2    41 TRP  HE1     1.41
 41 TRP  HZ3    15 VAL  QG1     2.46
 42 SER  HA     42 SER  HN      2.57
 42 SER  HB2    42 SER  HN      2.11
 42 SER  HB3    42 SER  HN      2.86
 42 SER  HN     41 TRP  HB2     1.72
 42 SER  HN     41 TRP  HB3     2.61
 42 SER  HN     41 TRP  HD1     2.16
 43 THR  HA     43 THR  HN      2.19
 43 THR  HB     43 THR  HN      1.67
 43 THR  HN     42 SER  HA      1.67
 43 THR  HN     42 SER  HB3     2.44
 43 THR  QG2    43 THR  HA      2.35
 43 THR  QG2    43 THR  HN      3.29
 44 ILE  HA     44 ILE  HN      1.60
 44 ILE  HB     44 ILE  HA      1.66
 44 ILE  HB     44 ILE  HN      1.62
 44 ILE  HG12   44 ILE  HA      2.22
 44 ILE  HG12   44 ILE  HN      1.98
 44 ILE  HG13   44 ILE  HA      1.71
 44 ILE  HG13   44 ILE  HN      2.20
 44 ILE  HN     43 THR  HB      1.82
 44 ILE  HN     43 THR  HN      2.29
 44 ILE  QG2    44 ILE  HA      1.79
 45 VAL  HA      7 ILE  QD1     1.83
 45 VAL  HA      7 ILE  QG2     2.84
 45 VAL  HA     45 VAL  HN      1.59
 45 VAL  HB     42 SER  HN      2.02
 45 VAL  HB     45 VAL  HA      1.57
 45 VAL  HB     45 VAL  HN      1.57
 45 VAL  HN     44 ILE  HA      1.88
 45 VAL  HN     44 ILE  HB      1.73
 45 VAL  HN     44 ILE  HG13    2.46
 45 VAL  HN     44 ILE  HN      2.13
 45 VAL  QG1    10 THR  QG2     3.13
 45 VAL  QG1    11 VAL  QG1     2.21
 45 VAL  QG1    41 TRP  HB3     1.97
 45 VAL  QG1    41 TRP  HE3     2.22
 45 VAL  QG1    45 VAL  HA      1.67
 45 VAL  QG2     7 ILE  HA      2.00
 45 VAL  QG2    11 VAL  QG1     3.00
 45 VAL  QG2    41 TRP  HB3     2.04
 45 VAL  QG2    42 SER  HN      2.52
 45 VAL  QG2    45 VAL  HA      1.54
 45 VAL  QG2    45 VAL  HN      1.60
 46 LYS  HA     41 TRP  HE3     2.17
 46 LYS  HA     46 LYS  HN      2.15
 46 LYS  HN     45 VAL  HA      2.15
 46 LYS  HN     45 VAL  HN      1.81
 46 LYS  HN     45 VAL  QG1     2.30
 46 LYS  QB     43 THR  HA      2.54
 46 LYS  QB     46 LYS  HA      1.59
 46 LYS  QB     46 LYS  HN      2.08
 47 LEU  HA     47 LEU  HN      1.80
 47 LEU  HB2    47 LEU  HN      2.45
 47 LEU  HB3    47 LEU  HA      2.14
 47 LEU  HB3    47 LEU  HN      2.09
 47 LEU  HG     43 THR  HA      2.14
 47 LEU  HG     47 LEU  HN      1.47
 47 LEU  HN     44 ILE  HA      2.02
 47 LEU  HN     46 LYS  QB      2.57
 48 THR  HB      7 ILE  QG2     2.33
 48 THR  HB     11 VAL  QG1     2.23
 48 THR  HB     45 VAL  QG1     2.10
 48 THR  HB     48 THR  HN      1.30
 48 THR  HN      7 ILE  QD1     2.49
 48 THR  HN     45 VAL  HA      1.89
 48 THR  HN     45 VAL  QG2     2.79
 48 THR  HN     47 LEU  HB2     2.50
 48 THR  HN     47 LEU  HB3     2.14
 48 THR  HN     47 LEU  HN      1.84
 48 THR  QG2     7 ILE  QD1     2.72
 48 THR  QG2     7 ILE  QG2     2.98
 49 ILE  HA     49 ILE  HN      1.87
 49 ILE  HB     41 TRP  HH2     1.75
 49 ILE  HB     41 TRP  HZ2     1.93
 49 ILE  HB     49 ILE  HA      1.88
 49 ILE  HB     49 ILE  HN      2.25
 49 ILE  HG12   11 VAL  QG1     2.86
 49 ILE  HG12   41 TRP  HH2     2.16
 49 ILE  HG12   41 TRP  HZ3     2.17
 49 ILE  HG12   49 ILE  HA      2.22
 49 ILE  HG12   49 ILE  HB      1.60
 49 ILE  HG12   49 ILE  HN      2.49
 49 ILE  HN     45 VAL  HA      2.05
 49 ILE  HN     48 THR  HB      1.56
 49 ILE  HN     48 THR  HN      1.50
 49 ILE  QD1     3 ILE  QD1     2.73
 49 ILE  QD1     3 ILE  QG2     3.11
 49 ILE  QD1     8 TRP  HZ3     2.55
 49 ILE  QD1    49 ILE  HA      1.79
 49 ILE  QD1    49 ILE  HB      2.36
 49 ILE  QD1    49 ILE  HN      2.91
 49 ILE  QG2    11 VAL  QG1     2.58
 49 ILE  QG2    41 TRP  HZ3     2.13
 49 ILE  QG2    45 VAL  QG1     2.39
 49 ILE  QG2    46 LYS  HA      1.80
 49 ILE  QG2    49 ILE  HA      2.91
 49 ILE  QG2    49 ILE  HG12    2.19
 49 ILE  QG2    49 ILE  HN      1.72
 50 CYS  HA     50 CYS  HN      2.44
 50 CYS  HB2    50 CYS  HA      2.46
 50 CYS  HB2    50 CYS  HN      1.75
 50 CYS  HB3    50 CYS  HA      2.75
 50 CYS  HB3    50 CYS  HN      2.34
 50 CYS  HN     47 LEU  HA      2.38
 50 CYS  HN     49 ILE  HB      2.51
 50 CYS  HN     49 ILE  HN      1.50
 50 CYS  HN     49 ILE  QG2     2.46
 51 PRO  HD2    51 PRO  HG3     2.06
 51 PRO  HD2    51 PRO  QB      2.46
 51 PRO  HD3    50 CYS  HN      2.40
 51 PRO  HD3    51 PRO  HG3     2.47
 51 PRO  HD3    51 PRO  QB      2.61
 51 PRO  HG2    51 PRO  QB      2.39
 52 THR  HA     52 THR  HN      1.91
 52 THR  HB     52 THR  HN      1.38
 52 THR  HN     51 PRO  HD2     2.03
 52 THR  HN     51 PRO  HD3     2.30
 52 THR  HN     51 PRO  QB      2.82
 52 THR  QG2     8 TRP  HH2     2.71
 52 THR  QG2    30 ILE  QD1     3.41
 52 THR  QG2    52 THR  HA      2.18
 53 LEU  HA     53 LEU  HN      1.74
 53 LEU  HB2    50 CYS  HA      2.10
 53 LEU  HB2    53 LEU  HA      1.93
 53 LEU  HB2    53 LEU  HN      1.64
 53 LEU  HB3    53 LEU  HA      2.14
 53 LEU  HB3    53 LEU  HN      1.72
 53 LEU  HG     49 ILE  HB      1.63
 53 LEU  HG     49 ILE  HG12    1.57
 53 LEU  HG     49 ILE  QD1     2.65
 53 LEU  HG     53 LEU  HN      1.80
 53 LEU  HN     49 ILE  HG12    2.10
 53 LEU  HN     50 CYS  HA      2.51
 53 LEU  HN     52 THR  HA      1.91
 53 LEU  HN     52 THR  HB      1.45
 53 LEU  HN     52 THR  HN      1.57
 53 LEU  QD1    11 VAL  HB      1.81
 53 LEU  QD1    14 THR  QG2     3.06
 53 LEU  QD1    15 VAL  HA      1.95
 53 LEU  QD1    18 TRP  HZ3     2.17
 53 LEU  QD1    53 LEU  HB3     1.67
 53 LEU  QD1    53 LEU  HN      2.00
 53 LEU  QD2    18 TRP  HZ3     1.96
 53 LEU  QD2    53 LEU  HA      3.02
 53 LEU  QD2    53 LEU  HB3     2.15
 53 LEU  QD2    53 LEU  HN      2.54
 54 LYS  HA     54 LYS  HN      1.62
 54 LYS  HN     53 LEU  HA      2.22
 54 LYS  HN     53 LEU  HB3     1.70
 54 LYS  HN     53 LEU  HN      1.43
 54 LYS  QB     54 LYS  HA      1.91
 54 LYS  QB     54 LYS  HN      2.26
 54 LYS  QD     54 LYS  HA      1.57
 54 LYS  QD     54 LYS  HN      1.88
 54 LYS  QG     50 CYS  HA      2.52
 54 LYS  QG     54 LYS  HA      2.66
 54 LYS  QG     54 LYS  HN      2.65
 54 LYS  QG     54 LYS  QB      2.62
 55 SER  HA     55 SER  HN      1.57
 55 SER  HB2    55 SER  HA      1.80
 55 SER  HB2    55 SER  HN      1.71
 55 SER  HN     54 LYS  HA      2.75
 55 SER  HN     54 LYS  HN      1.66
 55 SER  HN     54 LYS  QB      1.89
 55 SER  HN     54 LYS  QG      2.83
 56 MET  HA     56 MET  HN      1.52
 56 MET  HB2    26 ILE  QG2     2.48
 56 MET  HB2    56 MET  HA      1.83
 56 MET  HB2    56 MET  HN      2.38
 56 MET  HB3    26 ILE  QG2     3.15
 56 MET  HB3    27 ALA  HN      1.87
 56 MET  HB3    56 MET  HA      1.62
 56 MET  HB3    56 MET  HN      1.75
 56 MET  HN     55 SER  HA      2.09
 56 MET  HN     55 SER  HN      1.65
 56 MET  QE     18 TRP  HB3     2.37
 56 MET  QE     56 MET  HB3     2.19
 56 MET  QG     56 MET  HA      2.17
 56 MET  QG     56 MET  HB2     3.02
 56 MET  QG     56 MET  HB3     2.38
 56 MET  QG     56 MET  HN      3.43
 57 ALA  HA     57 ALA  HN      1.89
 57 ALA  HN     54 LYS  HA      2.13
 57 ALA  HN     56 MET  HA      2.39
 57 ALA  HN     56 MET  HB2     2.30
 57 ALA  HN     56 MET  QG      3.28
 57 ALA  QB     54 LYS  HA      2.12
 57 ALA  QB     57 ALA  HN      1.95
 58 LYS  HA     58 LYS  HN      2.26
 58 LYS  HB2    58 LYS  HN      1.82
 58 LYS  HB3    58 LYS  HA      2.28
 58 LYS  HN     56 MET  HB3     2.56
 58 LYS  HN     57 ALA  HA      2.44
 58 LYS  HN     57 ALA  HN      2.24
 58 LYS  HN     57 ALA  QB      2.30
 59 LYS  HA     59 LYS  HN      3.27
 59 LYS  HB2    59 LYS  HA      2.60
 59 LYS  HB2    59 LYS  HN      2.56
 59 LYS  HB3    59 LYS  HA      2.95
 59 LYS  HB3    59 LYS  HN      2.13
 59 LYS  HG2    24 GLY  HA2     2.35
 59 LYS  HG3    59 LYS  HN      2.30
 59 LYS  HN     58 LYS  HA      2.78
 59 LYS  HN     58 LYS  HN      2.08
 60 CYS  HA     22 CYS  HA      3.11
 60 CYS  HN     59 LYS  HB3     2.90
 60 CYS  HN     59 LYS  HN      2.15
 60 CYS  QB     60 CYS  HN      2.35
 61 GLU  HA     61 GLU  HN      2.29
 61 GLU  HB2    61 GLU  HA      2.44
 61 GLU  HB2    61 GLU  HN      2.53
 61 GLU  HB3    61 GLU  HA      2.22
 61 GLU  HB3    61 GLU  HN      2.50
 61 GLU  HG2    61 GLU  HA      2.93
 61 GLU  HG2    61 GLU  HB3     2.33
 61 GLU  HG3    61 GLU  HA      2.15
 61 GLU  HN     60 CYS  HA      2.81
 61 GLU  HN     60 CYS  QB      2.89
 62 GLY  HA1    62 GLY  HN      2.35
 62 GLY  HA2    62 GLY  HN      2.36
 62 GLY  HN     61 GLU  HA      1.92
 62 GLY  HN     61 GLU  HB2     3.01
 62 GLY  HN     61 GLU  HB3     2.70
 62 GLY  HN     61 GLU  HN      3.52
 64 ILE  HA     64 ILE  HN      1.70
 64 ILE  HB     60 CYS  QB      2.27
 64 ILE  HB     64 ILE  HN      1.72
 64 ILE  HG12   18 TRP  HA      1.55
 64 ILE  HG12   18 TRP  HD1     1.39
 64 ILE  HG12   64 ILE  HA      1.30
 64 ILE  HG12   64 ILE  HB      2.03
 64 ILE  HG12   64 ILE  HN      1.64
 64 ILE  HG13   64 ILE  HA      1.64
 64 ILE  HG13   64 ILE  HB      2.18
 64 ILE  HN     60 CYS  QB      2.58
 64 ILE  HN     61 GLU  HB2     2.56
 64 ILE  HN     63 SER  HN      2.04
 64 ILE  QD1    17 PRO  HG3     2.66
 64 ILE  QD1    18 TRP  HD1     1.64
 64 ILE  QD1    21 LYS  HB3     3.09
 64 ILE  QD1    64 ILE  HA      1.94
 64 ILE  QD1    64 ILE  QG2     3.29
 64 ILE  QG2    18 TRP  HB3     2.08
 64 ILE  QG2    18 TRP  HD1     2.58
 64 ILE  QG2    61 GLU  HB2     2.84
 64 ILE  QG2    64 ILE  HA      2.12
 64 ILE  QG2    64 ILE  HG12    2.24
 64 ILE  QG2    64 ILE  HN      2.31
 65 ALA  HA     64 ILE  QG2     2.52
 65 ALA  HA     65 ALA  HN      1.58
 65 ALA  HN     64 ILE  HA      2.15
 65 ALA  HN     64 ILE  HB      1.46
 65 ALA  HN     64 ILE  HN      1.35
 65 ALA  QB     60 CYS  QB      2.47
 65 ALA  QB     65 ALA  HN      1.41
 66 THR  HA     66 THR  HN      2.33
 66 THR  HB     66 THR  HA      2.68
 66 THR  HB     66 THR  HN      2.16
 66 THR  HN     65 ALA  QB      2.82
 66 THR  QG2    66 THR  HA      2.46
 67 MET  HA     67 MET  HN      2.17
 67 MET  HB2    67 MET  HN      2.17
 67 MET  HB3    67 MET  HA      2.15
 67 MET  HB3    67 MET  HN      2.40
 67 MET  HG2    18 TRP  HZ2     2.82
 67 MET  HG2    67 MET  HA      2.30
 67 MET  HG2    67 MET  HB2     2.32
 67 MET  HG2    67 MET  HN      2.66
 67 MET  HG3    64 ILE  HA      2.23
 67 MET  HG3    67 MET  HA      2.48
 67 MET  HG3    67 MET  HB3     2.23
 67 MET  HG3    67 MET  HN      2.24
 67 MET  HN     66 THR  HB      2.18
 67 MET  HN     66 THR  HN      2.43
 67 MET  HN     66 THR  QG2     3.75
 68 ILE  HA     18 TRP  HH2     2.10
 68 ILE  HA     68 ILE  HN      1.48
 68 ILE  HB     18 TRP  HZ3     2.16
 68 ILE  HB     65 ALA  HA      1.65
 68 ILE  HB     68 ILE  HA      1.50
 68 ILE  HB     68 ILE  HN      1.55
 68 ILE  HN     65 ALA  HA      1.80
 68 ILE  HN     67 MET  HN      1.93
 68 ILE  QD1    18 TRP  HE3     1.83
 68 ILE  QD1    68 ILE  HA      2.10
 68 ILE  QD1    68 ILE  HB      2.05
 68 ILE  QD1    68 ILE  HN      2.48
 69 LYS  HB2    69 LYS  HA      1.79
 69 LYS  HB2    69 LYS  HN      1.34
 69 LYS  HB3    66 THR  HA      1.51
 69 LYS  HB3    69 LYS  HA      2.50
 69 LYS  HB3    69 LYS  HN      1.93
 69 LYS  HN     68 ILE  HA      2.07
 69 LYS  HN     68 ILE  HB      1.77
 69 LYS  HN     68 ILE  HN      2.01
 69 LYS  HN     68 ILE  QD1     3.21
 70 LYS  HA     70 LYS  HN      2.64
 71 LYS  HA     71 LYS  HN      2.19
 71 LYS  HB2    71 LYS  HN      1.91
 71 LYS  HB3    18 TRP  HH2     2.26
 71 LYS  HB3    18 TRP  HZ3     2.02
 71 LYS  HB3    53 LEU  QD1     2.07
 71 LYS  HB3    71 LYS  HN      1.64
 71 LYS  HN     68 ILE  HA      2.27
 71 LYS  QG     18 TRP  HH2     2.46
 71 LYS  QG     71 LYS  HA      3.12
 72 CYS  HB2    72 CYS  HN      1.58
 72 CYS  HB3    50 CYS  HB3     2.17
 72 CYS  HN     71 LYS  HA      2.40
 72 CYS  HN     71 LYS  HB3     1.94
 72 CYS  HN     71 LYS  HN      2.00
 73 ASP  HN     69 LYS  HA      2.35
 73 ASP  QB     73 ASP  HA      3.15
 73 ASP  QB     73 ASP  HN      2.73
 25 ASP  HN     24 GLY  HN      3.50 
 23 SER  HN     22 CYS  HN      3.50 
 23 SER  HN     24 GLY  HN      3.50 

#
# Lower distance constraints for hydrogen and disulfide bonds.
#

  8 TRP  HN      4 PRO  O       1.80
  8 TRP  N       4 PRO  O       2.70
  9 GLU  HN      5 LYS  O       1.80
  9 GLU  N       5 LYS  O       2.70
 10 THR  HN      6 LYS  O       1.80
 10 THR  N       6 LYS  O       2.70
 11 VAL  HN      7 ILE  O       1.80
 11 VAL  N       7 ILE  O       2.70
 12 CYS  HN      8 TRP  O       1.80
 12 CYS  N       8 TRP  O       2.70
 15 VAL  HN     11 VAL  O       1.80
 15 VAL  N      11 VAL  O       2.70
 16 GLU  HN     12 CYS  O       1.80
 16 GLU  N      12 CYS  O       2.70
 19 ALA  HN     15 VAL  O       1.80
 19 ALA  N      15 VAL  O       2.70
 28 THR  HN     24 GLY  O       1.80
 28 THR  N      24 GLY  O       2.70
 29 TYR  HN     25 ASP  O       1.80
 29 TYR  N      25 ASP  O       2.70
 30 ILE  HN     26 ILE  O       1.80
 30 ILE  N      26 ILE  O       2.70
 31 LYS  HN     27 ALA  O       1.80
 31 LYS  N      27 ALA  O       2.70
 32 ARG  HN     28 THR  O       1.80
 32 ARG  N      28 THR  O       2.70
 33 GLU  HN     29 TYR  O       1.80
 33 GLU  N      29 TYR  O       2.70
 34 CYS  HN     30 ILE  O       1.80
 34 CYS  N      30 ILE  O       2.70
 47 LEU  HN     43 THR  O       1.80
 47 LEU  N      43 THR  O       2.70
 48 THR  HN     44 ILE  O       1.80
 48 THR  N      44 ILE  O       2.70
 49 ILE  HN     45 VAL  O       1.80
 49 ILE  N      45 VAL  O       2.70
 50 CYS  HN     46 LYS  O       1.80
 50 CYS  N      46 LYS  O       2.70
 53 LEU  HN     49 ILE  O       1.80
 53 LEU  N      49 ILE  O       2.70
 54 LYS  HN     50 CYS  O       1.80
 54 LYS  N      50 CYS  O       2.70
 55 SER  HN     51 PRO  O       1.80
 55 SER  N      51 PRO  O       2.70
 56 MET  HN     52 THR  O       1.80
 56 MET  N      52 THR  O       2.70
 57 ALA  HN     53 LEU  O       1.80
 57 ALA  N      53 LEU  O       2.70
 67 MET  HN     63 SER  O       1.80
 67 MET  N      63 SER  O       2.70
 68 ILE  HN     64 ILE  O       1.80
 68 ILE  N      64 ILE  O       2.70
 69 LYS  HN     65 ALA  O       1.80
 69 LYS  N      65 ALA  O       2.70
 70 LYS  HN     66 THR  O       1.80
 70 LYS  N      66 THR  O       2.70
 71 LYS  HN     67 MET  O       1.80
 71 LYS  N      67 MET  O       2.70
 72 CYS  HN     68 ILE  O       1.80
 72 CYS  N      68 ILE  O       2.70
 22 CYSS SG     60 CYSS SG      2.00
 22 CYSS SG     60 CYSS CB      3.00
 22 CYSS CB     60 CYSS SG      3.00
 12 CYSS SG     34 CYSS SG      2.00
 12 CYSS SG     34 CYSS CB      3.00
 12 CYSS CB     34 CYSS SG      3.00
 50 CYSS SG     72 CYSS SG      2.00
 50 CYSS SG     72 CYSS CB      3.00
 50 CYSS CB     72 CYSS SG      3.00

#----------------------------------------------------------------------
#  Dihedral angle constraints for DIANA obtained from local structure
#  analysis 

   2 VAL   PHI    -150.0    80.0
   2 VAL   PSI    -210.0    30.0
   2 VAL   CHI1     15.0   225.0
   3 ILE   PHI    -200.0    80.0
   3 ILE   CHI1     17.0   345.0
   4 PRO   PSI      50.0   230.0
   5 LYS   PHI    -170.0    50.0
   6 LYS   PHI    -200.0    80.0
   7 ILE   PHI    -130.0   -30.0
   7 ILE   PSI    -170.0    50.0
   7 ILE   CHI1    135.0   345.0
   7 ILE   CHI21  -110.0   215.0
   8 TRP   PHI    -190.0   -30.0
   9 GLU   PHI    -200.0    80.0
  10 THR   PHI    -130.0   -30.0
  10 THR   PSI     -70.0    30.0
  10 THR   CHI1    135.0   345.0
  11 VAL   PHI    -150.0   -30.0
  11 VAL   PSI     -90.0    50.0
  11 VAL   CHI1    255.0   345.0
  12 CYS   PHI    -200.0    80.0
  13 PRO   PSI    -190.0    10.0
  14 THR   PHI    -190.0   -30.0
  14 THR   PSI     -90.0    10.0
  15 VAL   PHI    -150.0   -30.0
  15 VAL   PSI     -70.0    30.0
  16 GLU   PHI    -200.0    80.0
  17 PRO   PSI    -210.0    50.0
  18 TRP   PHI    -190.0   -30.0
  18 TRP   PSI    -110.0    30.0
  19 ALA   PHI    -170.0   -30.0
  19 ALA   PSI     -90.0   130.0
  20 LYS   PHI    -110.0    80.0
  20 LYS   PSI    -130.0   110.0
  21 LYS   PHI    -200.0    80.0
  21 LYS   PSI    -130.0   150.0
  22 CYS   PHI    -170.0    30.0
  22 CYS   PSI      90.0   350.0
  23 SER   PHI    -200.0    80.0
  25 ASP   PHI    -110.0   -30.0
  25 ASP   PSI    -110.0    30.0
  26 ILE   PHI    -150.0   -30.0
  26 ILE   PSI    -150.0    10.0
  26 ILE   CHI1   -105.0   107.0
  26 ILE   CHI21    15.0   340.0
  27 ALA   PHI    -150.0   -30.0
  27 ALA   PSI    -110.0   130.0
  28 THR   PHI    -130.0    70.0
  28 THR   PSI    -150.0    30.0
  29 TYR   PHI    -150.0   -30.0
  29 TYR   PSI    -150.0    10.0
  30 ILE   PHI    -150.0   -30.0
  30 ILE   PSI    -150.0    30.0
  30 ILE   CHI1    135.0   345.0
  30 ILE   CHI21  -110.0   215.0
  31 LYS   PHI    -200.0    50.0
  33 GLU   PHI    -190.0    80.0
  33 GLU   PSI    -150.0   170.0
  34 CYS   PHI    -130.0   -30.0
  34 CYS   PSI    -110.0    30.0
  36 LYS   PHI    -200.0    50.0
  37 LEU   PHI    -200.0    80.0
  37 LEU   CHI1   -221.0   105.0
  37 LEU   CHI2     15.0   221.0
  41 TRP   PHI    -200.0    80.0
  41 TRP   PSI    -210.0    10.0
  41 TRP   CHI2     45.0   315.0
  42 SER   PHI    -190.0   -30.0
  42 SER   PSI      70.0   250.0
  43 THR   PHI    -190.0   -30.0
  43 THR   PSI    -170.0    10.0
  43 THR   CHI1    255.0   345.0
  44 ILE   PHI    -170.0    80.0
  44 ILE   PSI     -90.0   150.0
  44 ILE   CHI1    115.0   345.0
  44 ILE   CHI21  -110.0   215.0
  45 VAL   PHI    -130.0    50.0
  45 VAL   CHI1     15.0   245.0
  46 LYS   PHI    -190.0   -30.0
  47 LEU   PHI    -200.0    80.0
  47 LEU   PSI     -70.0   170.0
  47 LEU   CHI1   -221.0   105.0
  47 LEU   CHI2     15.0   221.0
  48 THR   PHI    -200.0   -30.0
  48 THR   PSI    -120.0    30.0
  48 THR   CHI1    255.0   345.0
  49 ILE   PHI    -130.0   -30.0
  49 ILE   PSI    -130.0    30.0
  49 ILE   CHI1    135.0   345.0
  50 CYS   PHI    -200.0    80.0
  51 PRO   PSI     -30.0    50.0
  52 THR   PHI    -200.0    80.0
  52 THR   PSI    -190.0    50.0
  53 LEU   PHI    -200.0    80.0
  53 LEU   CHI1   -110.0   105.0
  53 LEU   CHI2     75.0   221.0
  54 LYS   PHI    -150.0    80.0
  54 LYS   PSI     -90.0    30.0
  55 SER   PHI    -200.0    80.0
  55 SER   PSI    -110.0   150.0
  56 MET   PHI    -150.0    80.0
  57 ALA   PHI     -90.0   -30.0
  57 ALA   PSI     -70.0    10.0
  58 LYS   PHI    -170.0   -30.0
  58 LYS   PSI    -150.0    50.0
  59 LYS   PHI    -190.0   -30.0
  60 CYS   PHI    -150.0    80.0
  60 CYS   PSI    -190.0    70.0
  61 GLU   PHI    -230.0   -30.0
  61 GLU   PSI      70.0   190.0
  63 SER   PHI    -200.0    80.0
  63 SER   PSI    -130.0   190.0
  64 ILE   PHI    -170.0   -30.0
  64 ILE   PSI     -70.0    30.0
  64 ILE   CHI1    135.0   345.0
  64 ILE   CHI21  -110.0   215.0
  65 ALA   PHI    -150.0    50.0
  65 ALA   PSI     -50.0   130.0
  66 THR   PHI    -130.0   -30.0
  66 THR   PSI     -90.0   -10.0
  66 THR   CHI1    255.0   345.0
  67 MET   PHI    -200.0    80.0
  68 ILE   PHI    -150.0    80.0
  68 ILE   PSI    -170.0   -30.0
  71 LYS   PHI    -200.0    80.0

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  604 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   3.563 -14.878   6.915
    2   2H    GLY   1          3H        GLY   1   4.424 -14.255   8.241
    3   3H    GLY   1          2H        GLY   1   3.005 -13.486   7.711
    4   1HA   GLY   1          2HA       GLY   1   4.949 -12.265   7.021
    5   2HA   GLY   1          1HA       GLY   1   5.534 -13.719   6.190
    6    H    VAL   2           H        VAL   2   3.725 -14.728   4.765
    7    HA   VAL   2           HA       VAL   2   3.162 -12.895   2.638
    8    HB   VAL   2           HB       VAL   2   3.656 -15.300   2.351
    9   1HG1  VAL   2          2HG1      VAL   2   2.456 -16.273   4.236
   10   2HG1  VAL   2          1HG1      VAL   2   0.894 -15.820   3.515
   11   3HG1  VAL   2          3HG1      VAL   2   1.926 -17.028   2.717
   12   1HG2  VAL   2          1HG2      VAL   2   2.582 -14.128   0.505
   13   2HG2  VAL   2          3HG2      VAL   2   2.012 -15.810   0.588
   14   3HG2  VAL   2          2HG2      VAL   2   0.972 -14.494   1.170
   15    H    ILE   3           H        ILE   3   1.172 -12.313   1.765
   16    HA   ILE   3           HA       ILE   3  -1.036 -11.998   3.729
   17    HB   ILE   3           HB       ILE   3  -0.379 -10.456   1.199
   18   1HG1  ILE   3          2HG1      ILE   3  -0.085  -9.700   4.133
   19   2HG1  ILE   3          1HG1      ILE   3   1.226 -10.032   3.000
   20   1HG2  ILE   3          2HG2      ILE   3  -2.813 -10.503   1.571
   21   2HG2  ILE   3          1HG2      ILE   3  -2.577  -9.973   3.251
   22   3HG2  ILE   3          3HG2      ILE   3  -2.176  -8.882   1.904
   23   1HD1  ILE   3          1HD1      ILE   3  -0.718  -7.688   2.796
   24   2HD1  ILE   3          3HD1      ILE   3   0.968  -7.613   3.349
   25   3HD1  ILE   3          2HD1      ILE   3   0.611  -8.042   1.663
   26    HA   PRO   4           HA       PRO   4  -3.191 -14.914   1.052
   27   1HB   PRO   4          2HB       PRO   4  -5.491 -15.153   2.454
   28   2HB   PRO   4          1HB       PRO   4  -3.937 -15.695   3.172
   29   1HG   PRO   4          1HG       PRO   4  -5.356 -13.017   3.529
   30   2HG   PRO   4          2HG       PRO   4  -4.790 -14.149   4.805
   31   1HD   PRO   4          1HD       PRO   4  -3.254 -12.032   3.985
   32   2HD   PRO   4          2HD       PRO   4  -2.514 -13.601   4.451
   33    H    LYS   5           H        LYS   5  -5.286 -15.104  -0.047
   34    HA   LYS   5           HA       LYS   5  -5.885 -12.982  -1.767
   35   1HB   LYS   5          2HB       LYS   5  -6.393 -15.384  -2.193
   36   2HB   LYS   5          1HB       LYS   5  -7.666 -15.330  -0.965
   37   1HG   LYS   5          2HG       LYS   5  -8.822 -13.547  -2.349
   38   2HG   LYS   5          1HG       LYS   5  -7.598 -13.800  -3.601
   39   1HD   LYS   5          2HD       LYS   5  -8.297 -16.155  -3.840
   40   2HD   LYS   5          1HD       LYS   5  -9.488 -15.948  -2.542
   41   1HE   LYS   5          2HE       LYS   5 -10.687 -14.251  -3.926
   42   2HE   LYS   5          1HE       LYS   5  -9.506 -14.506  -5.235
   43   1HZ   LYS   5          1HZ       LYS   5 -11.278 -16.571  -4.067
   44   2HZ   LYS   5          3HZ       LYS   5 -11.496 -15.803  -5.566
   45   3HZ   LYS   5          2HZ       LYS   5 -10.153 -16.813  -5.316
   46    H    LYS   6           H        LYS   6  -7.651 -14.106   1.090
   47    HA   LYS   6           HA       LYS   6  -9.893 -12.455   1.029
   48   1HB   LYS   6          2HB       LYS   6  -9.615 -14.348   2.578
   49   2HB   LYS   6          1HB       LYS   6  -8.346 -13.477   3.448
   50   1HG   LYS   6          2HG       LYS   6 -10.475 -13.381   4.672
   51   2HG   LYS   6          1HG       LYS   6  -9.976 -11.763   4.158
   52   1HD   LYS   6          2HD       LYS   6 -11.571 -11.883   2.248
   53   2HD   LYS   6          1HD       LYS   6 -12.066 -13.503   2.771
   54   1HE   LYS   6          2HE       LYS   6 -12.903 -12.553   4.914
   55   2HE   LYS   6          1HE       LYS   6 -12.400 -10.929   4.386
   56   1HZ   LYS   6          2HZ       LYS   6 -13.874 -11.130   2.503
   57   2HZ   LYS   6          1HZ       LYS   6 -14.354 -12.679   3.008
   58   3HZ   LYS   6          3HZ       LYS   6 -14.728 -11.322   3.960
   59    H    ILE   7           H        ILE   7  -6.804 -11.825   2.701
   60    HA   ILE   7           HA       ILE   7  -7.477  -9.253   3.682
   61    HB   ILE   7           HB       ILE   7  -4.784 -10.487   3.060
   62   1HG1  ILE   7          2HG1      ILE   7  -6.052 -11.640   4.819
   63   2HG1  ILE   7          1HG1      ILE   7  -4.598 -10.865   5.459
   64   1HG2  ILE   7          1HG2      ILE   7  -5.339  -7.889   4.554
   65   2HG2  ILE   7          3HG2      ILE   7  -3.769  -8.719   4.493
   66   3HG2  ILE   7          2HG2      ILE   7  -4.481  -8.063   3.006
   67   1HD1  ILE   7          2HD1      ILE   7  -5.997  -9.003   6.353
   68   2HD1  ILE   7          1HD1      ILE   7  -7.453  -9.797   5.707
   69   3HD1  ILE   7          3HD1      ILE   7  -6.509 -10.580   6.993
   70    H    TRP   8           H        TRP   8  -5.863 -10.196   0.652
   71    HA   TRP   8           HA       TRP   8  -5.300  -7.633  -0.338
   72   1HB   TRP   8          2HB       TRP   8  -5.937 -10.227  -1.790
   73   2HB   TRP   8          1HB       TRP   8  -5.479  -8.738  -2.644
   74    HD1  TRP   8          1HD       TRP   8  -3.769 -11.787  -1.499
   75    HE1  TRP   8          1HE       TRP   8  -1.327 -11.437  -0.981
   76    HE3  TRP   8          3HE       TRP   8  -3.764  -6.672  -1.331
   77    HZ2  TRP   8          2HZ       TRP   8   0.401  -9.238  -0.535
   78    HZ3  TRP   8          3HZ       TRP   8  -1.642  -5.488  -0.892
   79    HH2  TRP   8          2HH       TRP   8   0.436  -6.767  -0.493
   80    H    GLU   9           H        GLU   9  -8.283  -9.493  -0.597
   81    HA   GLU   9           HA       GLU   9  -9.787  -7.691  -2.201
   82   1HB   GLU   9          2HB       GLU   9 -10.700  -9.652  -0.048
   83   2HB   GLU   9          1HB       GLU   9 -11.773  -8.832  -1.190
   84   1HG   GLU   9          2HG       GLU   9 -10.766  -9.957  -3.075
   85   2HG   GLU   9          1HG       GLU   9  -9.477 -10.642  -2.073
   86    H    THR  10           H        THR  10  -9.443  -8.000   1.305
   87    HA   THR  10           HA       THR  10 -11.324  -6.053   2.124
   88    HB   THR  10           HB       THR  10  -8.786  -7.044   3.498
   89    HG1  THR  10           HG1      THR  10 -10.371  -8.648   2.963
   90   1HG2  THR  10          1HG2      THR  10 -11.217  -5.671   4.733
   91   2HG2  THR  10          3HG2      THR  10  -9.858  -6.392   5.626
   92   3HG2  THR  10          2HG2      THR  10  -9.587  -4.970   4.597
   93    H    VAL  11           H        VAL  11  -7.835  -5.791   1.582
   94    HA   VAL  11           HA       VAL  11  -7.606  -3.086   2.495
   95    HB   VAL  11           HB       VAL  11  -5.330  -3.153   1.666
   96   1HG1  VAL  11          1HG1      VAL  11  -6.117  -5.678   3.158
   97   2HG1  VAL  11          3HG1      VAL  11  -4.470  -5.020   3.043
   98   3HG1  VAL  11          2HG1      VAL  11  -5.745  -4.089   3.858
   99   1HG2  VAL  11          2HG2      VAL  11  -5.988  -5.852   0.451
  100   2HG2  VAL  11          1HG2      VAL  11  -5.566  -4.367  -0.431
  101   3HG2  VAL  11          3HG2      VAL  11  -4.357  -5.161   0.601
  102    H    CYS  12           H        CYS  12  -8.224  -4.503  -0.619
  103    HA   CYS  12           HA       CYS  12  -7.455  -3.077  -2.645
  104   1HB   CYS  12          2HB       CYS  12 -10.231  -3.962  -1.967
  105   2HB   CYS  12          1HB       CYS  12 -10.027  -2.942  -3.386
  106    HA   PRO  13           HA       PRO  13 -10.211   0.852  -2.465
  107   1HB   PRO  13          2HB       PRO  13 -11.610   1.449  -0.170
  108   2HB   PRO  13          1HB       PRO  13 -12.273   0.418  -1.478
  109   1HG   PRO  13          1HG       PRO  13 -10.863  -0.449   1.088
  110   2HG   PRO  13          2HG       PRO  13 -12.434  -1.012   0.426
  111   1HD   PRO  13          1HD       PRO  13 -10.196  -2.444  -0.029
  112   2HD   PRO  13          2HD       PRO  13 -11.397  -2.215  -1.343
  113    H    THR  14           H        THR  14  -9.046   0.100   0.799
  114    HA   THR  14           HA       THR  14  -8.199   2.674   1.592
  115    HB   THR  14           HB       THR  14  -7.087  -0.044   2.428
  116    HG1  THR  14           HG1      THR  14  -8.695   0.165   4.083
  117   1HG2  THR  14          1HG2      THR  14  -7.103   2.622   3.919
  118   2HG2  THR  14          3HG2      THR  14  -6.568   1.062   4.582
  119   3HG2  THR  14          2HG2      THR  14  -5.669   1.812   3.244
  120    H    VAL  15           H        VAL  15  -6.343   0.004   0.174
  121    HA   VAL  15           HA       VAL  15  -3.865   1.426   0.013
  122    HB   VAL  15           HB       VAL  15  -3.040  -0.444  -1.283
  123   1HG1  VAL  15          1HG1      VAL  15  -4.712  -1.291   1.107
  124   2HG1  VAL  15          3HG1      VAL  15  -3.381  -2.237   0.397
  125   3HG1  VAL  15          2HG1      VAL  15  -3.054  -0.652   1.136
  126   1HG2  VAL  15          2HG2      VAL  15  -5.882  -1.520  -1.313
  127   2HG2  VAL  15          1HG2      VAL  15  -4.944  -0.968  -2.718
  128   3HG2  VAL  15          3HG2      VAL  15  -4.432  -2.413  -1.819
  129    H    GLU  16           H        GLU  16  -6.583   1.181  -2.112
  130    HA   GLU  16           HA       GLU  16  -5.607   1.417  -4.651
  131   1HB   GLU  16          2HB       GLU  16  -7.967   1.164  -4.144
  132   2HB   GLU  16          1HB       GLU  16  -8.052   2.786  -3.472
  133   1HG   GLU  16          2HG       GLU  16  -7.408   2.204  -6.395
  134   2HG   GLU  16          1HG       GLU  16  -9.044   2.486  -5.786
  135    HA   PRO  17           HA       PRO  17  -5.647   6.264  -4.686
  136   1HB   PRO  17          2HB       PRO  17  -5.137   7.543  -2.275
  137   2HB   PRO  17          1HB       PRO  17  -6.781   7.224  -2.912
  138   1HG   PRO  17          1HG       PRO  17  -5.152   5.557  -0.941
  139   2HG   PRO  17          2HG       PRO  17  -6.849   6.128  -0.797
  140   1HD   PRO  17          1HD       PRO  17  -6.377   3.636  -1.653
  141   2HD   PRO  17          2HD       PRO  17  -7.618   4.625  -2.491
  142    H    TRP  18           H        TRP  18  -3.641   4.913  -2.092
  143    HA   TRP  18           HA       TRP  18  -1.258   6.367  -2.646
  144   1HB   TRP  18          2HB       TRP  18  -1.453   3.598  -1.380
  145   2HB   TRP  18          1HB       TRP  18  -0.124   4.760  -1.210
  146    HD1  TRP  18          1HD       TRP  18  -1.715   7.481  -0.451
  147    HE1  TRP  18          1HE       TRP  18  -2.921   7.709   1.745
  148    HE3  TRP  18          3HE       TRP  18  -2.281   2.514   0.596
  149    HZ2  TRP  18          2HZ       TRP  18  -4.000   5.973   3.706
  150    HZ3  TRP  18          3HZ       TRP  18  -3.433   1.845   2.684
  151    HH2  TRP  18          2HH       TRP  18  -4.292   3.572   4.234
  152    H    ALA  19           H        ALA  19  -2.449   3.248  -3.779
  153    HA   ALA  19           HA       ALA  19  -0.073   2.120  -4.757
  154   1HB   ALA  19          1HB       ALA  19  -2.939   1.700  -5.708
  155   2HB   ALA  19          3HB       ALA  19  -1.567   0.630  -6.076
  156   3HB   ALA  19          2HB       ALA  19  -2.122   0.821  -4.397
  157    H    LYS  20           H        LYS  20  -2.641   3.641  -6.743
  158    HA   LYS  20           HA       LYS  20  -1.119   3.760  -9.130
  159   1HB   LYS  20          2HB       LYS  20  -3.617   5.146  -8.193
  160   2HB   LYS  20          1HB       LYS  20  -2.801   5.746  -9.642
  161   1HG   LYS  20          2HG       LYS  20  -4.549   4.148 -10.260
  162   2HG   LYS  20          1HG       LYS  20  -2.955   3.526 -10.696
  163   1HD   LYS  20          2HD       LYS  20  -4.278   1.711  -9.802
  164   2HD   LYS  20          1HD       LYS  20  -2.991   2.079  -8.645
  165   1HE   LYS  20          2HE       LYS  20  -4.665   3.469  -7.347
  166   2HE   LYS  20          1HE       LYS  20  -5.927   2.890  -8.453
  167   1HZ   LYS  20          1HZ       LYS  20  -4.185   1.174  -6.784
  168   2HZ   LYS  20          3HZ       LYS  20  -5.806   1.558  -6.458
  169   3HZ   LYS  20          2HZ       LYS  20  -5.410   0.640  -7.832
  170    H    LYS  21           H        LYS  21  -1.499   6.123  -6.528
  171    HA   LYS  21           HA       LYS  21   0.393   8.000  -7.738
  172   1HB   LYS  21          2HB       LYS  21  -0.842   7.925  -4.953
  173   2HB   LYS  21          1HB       LYS  21   0.098   9.263  -5.637
  174   1HG   LYS  21          2HG       LYS  21  -1.618   9.546  -7.420
  175   2HG   LYS  21          1HG       LYS  21  -2.564   8.230  -6.712
  176   1HD   LYS  21          2HD       LYS  21  -3.524  10.341  -6.006
  177   2HD   LYS  21          1HD       LYS  21  -2.794   9.548  -4.604
  178   1HE   LYS  21          2HE       LYS  21  -2.301  11.960  -4.579
  179   2HE   LYS  21          1HE       LYS  21  -0.799  11.039  -4.805
  180   1HZ   LYS  21          1HZ       LYS  21  -2.396  12.308  -6.952
  181   2HZ   LYS  21          3HZ       LYS  21  -0.936  12.897  -6.313
  182   3HZ   LYS  21          2HZ       LYS  21  -0.960  11.427  -7.166
  183    H    CYS  22           H        CYS  22   1.568   5.560  -7.622
  184    HA   CYS  22           HA       CYS  22   3.960   6.102  -6.074
  185   1HB   CYS  22          2HB       CYS  22   2.372   4.889  -4.466
  186   2HB   CYS  22          1HB       CYS  22   2.466   3.485  -5.545
  187    H    SER  23           H        SER  23   5.522   4.164  -6.393
  188    HA   SER  23           HA       SER  23   5.131   2.634  -8.867
  189   1HB   SER  23          2HB       SER  23   7.136   3.541  -9.970
  190   2HB   SER  23          1HB       SER  23   5.984   4.850  -9.643
  191    HG   SER  23           HG       SER  23   7.237   5.329  -7.737
  192    H    GLY  24           H        GLY  24   7.479   1.668  -9.391
  193   1HA   GLY  24          2HA       GLY  24   9.300   0.362  -8.665
  194   2HA   GLY  24          1HA       GLY  24   8.830   0.653  -6.984
  195    H    ASP  25           H        ASP  25   9.512  -1.722  -7.288
  196    HA   ASP  25           HA       ASP  25   7.932  -3.677  -8.544
  197   1HB   ASP  25          2HB       ASP  25   9.627  -3.925  -6.013
  198   2HB   ASP  25          1HB       ASP  25   9.070  -5.276  -7.018
  199    H    ILE  26           H        ILE  26   7.796  -2.461  -5.228
  200    HA   ILE  26           HA       ILE  26   5.853  -4.294  -4.236
  201    HB   ILE  26           HB       ILE  26   6.407  -1.482  -3.242
  202   1HG1  ILE  26          2HG1      ILE  26   8.549  -2.637  -3.433
  203   2HG1  ILE  26          1HG1      ILE  26   8.099  -2.412  -1.745
  204   1HG2  ILE  26          1HG2      ILE  26   5.351  -3.954  -1.805
  205   2HG2  ILE  26          3HG2      ILE  26   5.741  -2.398  -1.039
  206   3HG2  ILE  26          2HG2      ILE  26   4.421  -2.501  -2.225
  207   1HD1  ILE  26          1HD1      ILE  26   7.821  -5.017  -3.322
  208   2HD1  ILE  26          3HD1      ILE  26   9.076  -4.653  -2.115
  209   3HD1  ILE  26          2HD1      ILE  26   7.377  -4.794  -1.612
  210    H    ALA  27           H        ALA  27   5.550  -0.969  -5.468
  211    HA   ALA  27           HA       ALA  27   2.787  -0.576  -5.157
  212   1HB   ALA  27          2HB       ALA  27   4.330   1.217  -5.868
  213   2HB   ALA  27          1HB       ALA  27   4.593   0.393  -7.423
  214   3HB   ALA  27          3HB       ALA  27   2.990   1.053  -7.025
  215    H    THR  28           H        THR  28   4.564  -1.973  -7.873
  216    HA   THR  28           HA       THR  28   2.400  -2.641  -9.566
  217    HB   THR  28           HB       THR  28   5.112  -4.005  -9.256
  218    HG1  THR  28           HG1      THR  28   4.230  -1.875 -10.940
  219   1HG2  THR  28          1HG2      THR  28   3.199  -4.011 -11.636
  220   2HG2  THR  28          3HG2      THR  28   4.839  -4.702 -11.612
  221   3HG2  THR  28          2HG2      THR  28   3.564  -5.408 -10.595
  222    H    TYR  29           H        TYR  29   3.912  -4.408  -6.910
  223    HA   TYR  29           HA       TYR  29   2.692  -6.940  -7.314
  224   1HB   TYR  29          2HB       TYR  29   4.612  -6.778  -5.880
  225   2HB   TYR  29          1HB       TYR  29   3.823  -5.599  -4.829
  226    HD1  TYR  29          1HD       TYR  29   3.094  -9.057  -6.158
  227    HD2  TYR  29          2HD       TYR  29   3.105  -6.398  -2.786
  228    HE1  TYR  29          1HE       TYR  29   2.238 -10.875  -4.719
  229    HE2  TYR  29          2HE       TYR  29   2.261  -8.219  -1.347
  230    HH   TYR  29           HH       TYR  29   1.515 -11.450  -2.676
  231    H    ILE  30           H        ILE  30   1.869  -4.466  -4.889
  232    HA   ILE  30           HA       ILE  30  -0.479  -5.576  -3.875
  233    HB   ILE  30           HB       ILE  30   0.298  -2.655  -4.216
  234   1HG1  ILE  30          2HG1      ILE  30   0.603  -4.479  -1.798
  235   2HG1  ILE  30          1HG1      ILE  30   1.906  -4.079  -2.924
  236   1HG2  ILE  30          1HG2      ILE  30  -1.841  -3.847  -2.397
  237   2HG2  ILE  30          3HG2      ILE  30  -1.291  -2.156  -2.368
  238   3HG2  ILE  30          2HG2      ILE  30  -2.120  -2.790  -3.800
  239   1HD1  ILE  30          2HD1      ILE  30   1.700  -1.679  -2.324
  240   2HD1  ILE  30          1HD1      ILE  30   0.397  -2.078  -1.179
  241   3HD1  ILE  30          3HD1      ILE  30   2.045  -2.679  -0.896
  242    H    LYS  31           H        LYS  31  -0.097  -3.308  -6.557
  243    HA   LYS  31           HA       LYS  31  -2.724  -2.893  -7.384
  244   1HB   LYS  31          2HB       LYS  31  -0.787  -1.737  -8.316
  245   2HB   LYS  31          1HB       LYS  31  -0.170  -3.225  -9.017
  246   1HG   LYS  31          2HG       LYS  31  -2.791  -1.918  -9.846
  247   2HG   LYS  31          1HG       LYS  31  -1.244  -1.590 -10.627
  248   1HD   LYS  31          2HD       LYS  31  -2.760  -4.241 -10.619
  249   2HD   LYS  31          1HD       LYS  31  -2.496  -3.151 -11.973
  250   1HE   LYS  31          2HE       LYS  31  -0.097  -3.618 -11.987
  251   2HE   LYS  31          1HE       LYS  31  -0.249  -4.630 -10.534
  252   1HZ   LYS  31          1HZ       LYS  31  -1.568  -5.130 -13.134
  253   2HZ   LYS  31          3HZ       LYS  31  -0.211  -5.951 -12.527
  254   3HZ   LYS  31          2HZ       LYS  31  -1.710  -6.090 -11.740
  255    H    ARG  32           H        ARG  32  -0.520  -5.499  -8.357
  256    HA   ARG  32           HA       ARG  32  -2.273  -6.930 -10.050
  257   1HB   ARG  32          2HB       ARG  32   0.180  -7.269  -9.988
  258   2HB   ARG  32          1HB       ARG  32   0.045  -7.994  -8.379
  259   1HG   ARG  32          2HG       ARG  32  -1.362  -9.816  -9.311
  260   2HG   ARG  32          1HG       ARG  32  -1.207  -9.101 -10.926
  261   1HD   ARG  32          2HD       ARG  32   1.247  -9.466 -10.855
  262   2HD   ARG  32          1HD       ARG  32   1.097 -10.163  -9.223
  263    HE   ARG  32           HE       ARG  32  -0.655 -11.563 -10.959
  264   1HH1  ARG  32          2HH2      ARG  32   2.783 -11.086 -10.416
  265   2HH1  ARG  32          1HH2      ARG  32   3.216 -12.645 -11.037
  266   1HH2  ARG  32          2HH1      ARG  32  -0.068 -13.600 -11.768
  267   2HH2  ARG  32          1HH1      ARG  32   1.600 -14.068 -11.802
  268    H    GLU  33           H        GLU  33  -1.741  -7.171  -6.546
  269    HA   GLU  33           HA       GLU  33  -3.102  -9.623  -6.111
  270   1HB   GLU  33          2HB       GLU  33  -2.837  -7.300  -4.158
  271   2HB   GLU  33          1HB       GLU  33  -3.206  -8.981  -3.766
  272   1HG   GLU  33          2HG       GLU  33  -0.569  -7.900  -4.829
  273   2HG   GLU  33          1HG       GLU  33  -0.883  -8.513  -3.213
  274    H    CYS  34           H        CYS  34  -4.259  -6.318  -5.471
  275    HA   CYS  34           HA       CYS  34  -6.946  -7.016  -4.887
  276   1HB   CYS  34          2HB       CYS  34  -6.027  -4.863  -4.197
  277   2HB   CYS  34          1HB       CYS  34  -5.761  -4.389  -5.888
  278    H    GLY  35           H        GLY  35  -5.465  -5.796  -7.862
  279   1HA   GLY  35          2HA       GLY  35  -7.760  -5.483  -9.455
  280   2HA   GLY  35          1HA       GLY  35  -6.123  -5.742 -10.076
  281    H    LYS  36           H        LYS  36  -5.414  -8.136  -9.592
  282    HA   LYS  36           HA       LYS  36  -7.051  -9.911 -11.156
  283   1HB   LYS  36          2HB       LYS  36  -4.531  -9.926 -11.078
  284   2HB   LYS  36          1HB       LYS  36  -4.625 -10.573  -9.434
  285   1HG   LYS  36          2HG       LYS  36  -5.808 -12.581 -10.278
  286   2HG   LYS  36          1HG       LYS  36  -5.716 -11.937 -11.927
  287   1HD   LYS  36          2HD       LYS  36  -3.226 -11.980 -11.792
  288   2HD   LYS  36          1HD       LYS  36  -3.333 -12.642 -10.153
  289   1HE   LYS  36          2HE       LYS  36  -2.867 -14.443 -11.755
  290   2HE   LYS  36          1HE       LYS  36  -4.488 -14.665 -11.058
  291   1HZ   LYS  36          1HZ       LYS  36  -3.876 -13.410 -13.672
  292   2HZ   LYS  36          3HZ       LYS  36  -4.492 -14.975 -13.437
  293   3HZ   LYS  36          2HZ       LYS  36  -5.424 -13.622 -13.006
  294    H    LEU  37           H        LEU  37  -8.995  -9.924 -10.029
  295    HA   LEU  37           HA       LEU  37  -9.308 -11.896  -7.932
  296   1HB   LEU  37          2HB       LEU  37  -8.509  -9.847  -6.700
  297   2HB   LEU  37          1HB       LEU  37  -9.900  -8.964  -7.317
  298    HG   LEU  37           HG       LEU  37 -10.100  -9.667  -4.966
  299   1HD1  LEU  37          2HD1      LEU  37 -12.167  -9.241  -6.198
  300   2HD1  LEU  37          1HD1      LEU  37 -12.235 -10.940  -6.723
  301   3HD1  LEU  37          3HD1      LEU  37 -12.393 -10.539  -5.006
  302   1HD2  LEU  37          1HD2      LEU  37  -8.912 -11.785  -5.003
  303   2HD2  LEU  37          3HD2      LEU  37 -10.560 -12.031  -4.382
  304   3HD2  LEU  37          2HD2      LEU  37 -10.161 -12.506  -6.047
  305   1H    TRP   1          1H        TRP   1  -4.817  -0.493  10.164
  306   2H    TRP   1          3H        TRP   1  -4.464   1.168  10.114
  307   3H    TRP   1          2H        TRP   1  -4.292   0.307  11.567
  308    HA   TRP   1           HA       TRP   1  -6.242   1.609  11.651
  309   1HB   TRP   1          2HB       TRP   1  -8.110   1.114  10.008
  310   2HB   TRP   1          1HB       TRP   1  -6.714   1.992   9.364
  311    HD1  TRP   1          1HD       TRP   1  -8.279  -1.663   9.266
  312    HE1  TRP   1          1HE       TRP   1  -7.358  -2.906   7.274
  313    HE3  TRP   1          3HE       TRP   1  -4.981   1.888   7.645
  314    HZ2  TRP   1          2HZ       TRP   1  -5.486  -2.401   5.208
  315    HZ3  TRP   1          3HZ       TRP   1  -3.627   1.442   5.622
  316    HH2  TRP   1          2HH       TRP   1  -3.884  -0.696   4.404
  317    H    SER   2           H        SER   2  -6.373  -1.761  10.527
  318    HA   SER   2           HA       SER   2  -8.308  -2.558  12.568
  319   1HB   SER   2          2HB       SER   2  -8.226  -3.535  10.243
  320   2HB   SER   2          1HB       SER   2  -6.634  -4.218  10.628
  321    HG   SER   2           HG       SER   2  -8.324  -5.747  10.957
  322    H    THR   3           H        THR   3  -7.686  -4.684  13.777
  323    HA   THR   3           HA       THR   3  -5.188  -4.382  15.254
  324    HB   THR   3           HB       THR   3  -7.278  -6.604  15.300
  325    HG1  THR   3           HG1      THR   3  -7.936  -5.472  17.216
  326   1HG2  THR   3          2HG2      THR   3  -5.094  -7.367  16.236
  327   2HG2  THR   3          1HG2      THR   3  -5.068  -5.951  17.310
  328   3HG2  THR   3          3HG2      THR   3  -6.324  -7.196  17.508
  329    H    ILE   4           H        ILE   4  -6.596  -6.999  13.289
  330    HA   ILE   4           HA       ILE   4  -4.032  -8.301  12.885
  331    HB   ILE   4           HB       ILE   4  -6.816  -8.844  11.820
  332   1HG1  ILE   4          2HG1      ILE   4  -6.608 -10.968  13.150
  333   2HG1  ILE   4          1HG1      ILE   4  -5.115 -10.332  13.843
  334   1HG2  ILE   4          1HG2      ILE   4  -4.313 -10.484  11.276
  335   2HG2  ILE   4          3HG2      ILE   4  -5.978 -10.994  10.913
  336   3HG2  ILE   4          2HG2      ILE   4  -5.280  -9.593  10.078
  337   1HD1  ILE   4          1HD1      ILE   4  -7.872  -9.058  14.138
  338   2HD1  ILE   4          3HD1      ILE   4  -7.038 -10.036  15.367
  339   3HD1  ILE   4          2HD1      ILE   4  -6.364  -8.472  14.884
  340    H    VAL   5           H        VAL   5  -6.423  -6.866  10.669
  341    HA   VAL   5           HA       VAL   5  -5.029  -7.306   8.282
  342    HB   VAL   5           HB       VAL   5  -6.964  -5.035   8.852
  343   1HG1  VAL   5          1HG1      VAL   5  -6.206  -6.334   6.212
  344   2HG1  VAL   5          3HG1      VAL   5  -7.496  -5.131   6.443
  345   3HG1  VAL   5          2HG1      VAL   5  -5.803  -4.681   6.736
  346   1HG2  VAL   5          2HG2      VAL   5  -7.555  -7.871   7.919
  347   2HG2  VAL   5          1HG2      VAL   5  -7.982  -7.169   9.497
  348   3HG2  VAL   5          3HG2      VAL   5  -8.736  -6.544   8.015
  349    H    LYS   6           H        LYS   6  -4.967  -4.480  10.391
  350    HA   LYS   6           HA       LYS   6  -3.424  -2.657   8.961
  351   1HB   LYS   6          2HB       LYS   6  -4.435  -2.117  11.089
  352   2HB   LYS   6          1HB       LYS   6  -3.507  -3.375  11.918
  353   1HG   LYS   6          2HG       LYS   6  -1.413  -2.085  11.495
  354   2HG   LYS   6          1HG       LYS   6  -2.374  -0.812  10.719
  355   1HD   LYS   6          2HD       LYS   6  -3.541  -0.341  12.822
  356   2HD   LYS   6          1HD       LYS   6  -2.793  -1.745  13.591
  357   1HE   LYS   6          2HE       LYS   6  -1.718   0.376  14.303
  358   2HE   LYS   6          1HE       LYS   6  -0.589  -0.707  13.461
  359   1HZ   LYS   6          2HZ       LYS   6  -0.938   0.556  11.452
  360   2HZ   LYS   6          1HZ       LYS   6  -2.015   1.595  12.257
  361   3HZ   LYS   6          3HZ       LYS   6  -0.375   1.557  12.703
  362    H    LEU   7           H        LEU   7  -2.214  -4.995  11.354
  363    HA   LEU   7           HA       LEU   7   0.544  -4.557  10.926
  364   1HB   LEU   7          2HB       LEU   7  -0.874  -7.030  12.000
  365   2HB   LEU   7          1HB       LEU   7   0.853  -6.684  12.173
  366    HG   LEU   7           HG       LEU   7  -1.427  -5.021  13.309
  367   1HD1  LEU   7          2HD1      LEU   7  -1.188  -7.141  14.498
  368   2HD1  LEU   7          1HD1      LEU   7   0.555  -6.854  14.714
  369   3HD1  LEU   7          3HD1      LEU   7  -0.629  -5.799  15.522
  370   1HD2  LEU   7          2HD2      LEU   7   1.574  -4.632  13.647
  371   2HD2  LEU   7          1HD2      LEU   7   0.459  -3.557  12.770
  372   3HD2  LEU   7          3HD2      LEU   7   0.310  -3.744  14.529
  373    H    THR   8           H        THR   8  -1.699  -6.679   9.289
  374    HA   THR   8           HA       THR   8   0.199  -8.406   8.029
  375    HB   THR   8           HB       THR   8  -2.656  -7.674   7.252
  376    HG1  THR   8           HG1      THR   8  -2.363  -8.668   9.324
  377   1HG2  THR   8          1HG2      THR   8  -0.969 -10.050   6.343
  378   2HG2  THR   8          3HG2      THR   8  -2.700  -9.814   6.011
  379   3HG2  THR   8          2HG2      THR   8  -1.506  -8.696   5.319
  380    H    ILE   9           H        ILE   9  -1.648  -5.648   6.718
  381    HA   ILE   9           HA       ILE   9  -0.296  -5.793   4.167
  382    HB   ILE   9           HB       ILE   9  -2.689  -5.197   4.424
  383   1HG1  ILE   9          2HG1      ILE   9  -2.741  -3.330   2.784
  384   2HG1  ILE   9          1HG1      ILE   9  -1.011  -3.078   3.037
  385   1HG2  ILE   9          2HG2      ILE   9  -2.595  -3.753   6.419
  386   2HG2  ILE   9          1HG2      ILE   9  -1.707  -2.521   5.499
  387   3HG2  ILE   9          3HG2      ILE   9  -3.374  -2.931   5.051
  388   1HD1  ILE   9          1HD1      ILE   9  -2.283  -5.620   1.927
  389   2HD1  ILE   9          3HD1      ILE   9  -1.435  -4.374   0.983
  390   3HD1  ILE   9          2HD1      ILE   9  -0.538  -5.353   2.162
  391    H    CYS  10           H        CYS  10  -0.211  -3.588   6.897
  392    HA   CYS  10           HA       CYS  10   1.064  -1.383   5.968
  393   1HB   CYS  10          2HB       CYS  10   1.200  -2.739   8.649
  394   2HB   CYS  10          1HB       CYS  10   2.155  -1.281   8.337
  395    HA   PRO  11           HA       PRO  11   5.584  -3.080   6.726
  396   1HB   PRO  11          2HB       PRO  11   5.853  -5.780   6.046
  397   2HB   PRO  11          1HB       PRO  11   5.732  -5.153   7.720
  398   1HG   PRO  11          1HG       PRO  11   3.518  -6.225   5.924
  399   2HG   PRO  11          2HG       PRO  11   3.875  -6.634   7.636
  400   1HD   PRO  11          1HD       PRO  11   1.952  -4.865   7.112
  401   2HD   PRO  11          2HD       PRO  11   3.127  -4.486   8.415
  402    H    THR  12           H        THR  12   3.585  -4.828   4.365
  403    HA   THR  12           HA       THR  12   5.273  -4.606   2.101
  404    HB   THR  12           HB       THR  12   2.217  -4.614   2.110
  405    HG1  THR  12           HG1      THR  12   2.507  -6.908   2.021
  406   1HG2  THR  12          2HG2      THR  12   3.221  -4.155  -0.119
  407   2HG2  THR  12          1HG2      THR  12   4.214  -5.621   0.031
  408   3HG2  THR  12          3HG2      THR  12   2.443  -5.753  -0.070
  409    H    LEU  13           H        LEU  13   2.674  -2.492   3.287
  410    HA   LEU  13           HA       LEU  13   2.664  -0.583   1.214
  411   1HB   LEU  13          2HB       LEU  13   2.024  -0.146   4.162
  412   2HB   LEU  13          1HB       LEU  13   1.593   0.934   2.832
  413    HG   LEU  13           HG       LEU  13   0.600  -1.902   3.199
  414   1HD1  LEU  13          1HD1      LEU  13  -0.851   0.752   3.548
  415   2HD1  LEU  13          3HD1      LEU  13  -1.611  -0.855   3.625
  416   3HD1  LEU  13          2HD1      LEU  13  -0.401  -0.385   4.839
  417   1HD2  LEU  13          2HD2      LEU  13  -0.146   0.138   1.065
  418   2HD2  LEU  13          1HD2      LEU  13   0.757  -1.375   0.815
  419   3HD2  LEU  13          3HD2      LEU  13  -0.945  -1.432   1.319
  420    H    LYS  14           H        LYS  14   4.661  -0.759   4.116
  421    HA   LYS  14           HA       LYS  14   5.913   1.791   3.931
  422   1HB   LYS  14          2HB       LYS  14   6.859  -0.844   5.135
  423   2HB   LYS  14          1HB       LYS  14   7.753   0.672   5.288
  424   1HG   LYS  14          2HG       LYS  14   4.896   0.257   6.268
  425   2HG   LYS  14          1HG       LYS  14   6.339   0.120   7.284
  426   1HD   LYS  14          2HD       LYS  14   6.888   2.505   6.792
  427   2HD   LYS  14          1HD       LYS  14   5.426   2.630   5.802
  428   1HE   LYS  14          2HE       LYS  14   5.054   3.604   8.026
  429   2HE   LYS  14          1HE       LYS  14   4.020   2.173   7.799
  430   1HZ   LYS  14          2HZ       LYS  14   5.644   0.879   9.015
  431   2HZ   LYS  14          1HZ       LYS  14   6.610   2.258   9.240
  432   3HZ   LYS  14          3HZ       LYS  14   5.070   2.172   9.953
  433    H    SER  15           H        SER  15   6.847  -1.393   2.690
  434    HA   SER  15           HA       SER  15   9.270  -0.710   1.420
  435   1HB   SER  15          2HB       SER  15   7.222  -2.792   0.515
  436   2HB   SER  15          1HB       SER  15   8.946  -2.738   0.082
  437    HG   SER  15           HG       SER  15   7.916  -3.010   2.733
  438    H    MET  16           H        MET  16   5.945  -0.589   0.244
  439    HA   MET  16           HA       MET  16   6.408   0.327  -2.406
  440   1HB   MET  16          2HB       MET  16   4.239  -0.588  -1.558
  441   2HB   MET  16          1HB       MET  16   4.038   0.849  -0.556
  442   1HG   MET  16          2HG       MET  16   3.930   2.269  -2.546
  443   2HG   MET  16          1HG       MET  16   4.197   0.866  -3.595
  444   1HE   MET  16          1HE       MET  16   1.742   2.740  -1.155
  445   2HE   MET  16          3HE       MET  16   0.380   1.601  -1.035
  446   3HE   MET  16          2HE       MET  16   1.949   1.186  -0.310
  447    H    ALA  17           H        ALA  17   5.936   2.026   0.635
  448    HA   ALA  17           HA       ALA  17   5.595   4.671  -0.244
  449   1HB   ALA  17          2HB       ALA  17   5.129   3.951   2.058
  450   2HB   ALA  17          1HB       ALA  17   6.860   3.658   2.341
  451   3HB   ALA  17          3HB       ALA  17   6.279   5.307   2.057
  452    H    LYS  18           H        LYS  18   8.508   2.802   0.214
  453    HA   LYS  18           HA       LYS  18  10.538   4.662   0.389
  454   1HB   LYS  18          2HB       LYS  18  10.574   2.176  -1.380
  455   2HB   LYS  18          1HB       LYS  18  11.987   3.011  -0.733
  456   1HG   LYS  18          2HG       LYS  18   9.893   1.673   1.019
  457   2HG   LYS  18          1HG       LYS  18  11.318   0.843   0.411
  458   1HD   LYS  18          2HD       LYS  18  11.691   1.503   2.704
  459   2HD   LYS  18          1HD       LYS  18  12.780   2.400   1.647
  460   1HE   LYS  18          2HE       LYS  18  11.806   3.733   3.545
  461   2HE   LYS  18          1HE       LYS  18  11.530   4.453   1.956
  462   1HZ   LYS  18          1HZ       LYS  18   9.616   2.790   3.505
  463   2HZ   LYS  18          3HZ       LYS  18   9.539   4.475   3.298
  464   3HZ   LYS  18          2HZ       LYS  18   9.323   3.444   1.966
  465    H    LYS  19           H        LYS  19   8.829   3.702  -2.548
  466    HA   LYS  19           HA       LYS  19   9.900   6.115  -3.907
  467   1HB   LYS  19          2HB       LYS  19  11.249   4.094  -4.558
  468   2HB   LYS  19          1HB       LYS  19   9.773   3.352  -5.193
  469   1HG   LYS  19          2HG       LYS  19   9.535   5.280  -6.792
  470   2HG   LYS  19          1HG       LYS  19  11.049   5.946  -6.174
  471   1HD   LYS  19          2HD       LYS  19  10.732   3.249  -7.564
  472   2HD   LYS  19          1HD       LYS  19  11.346   4.726  -8.319
  473   1HE   LYS  19          2HE       LYS  19  12.669   3.233  -6.000
  474   2HE   LYS  19          1HE       LYS  19  13.198   3.213  -7.696
  475   1HZ   LYS  19          1HZ       LYS  19  13.030   5.609  -5.965
  476   2HZ   LYS  19          3HZ       LYS  19  14.454   4.787  -6.391
  477   3HZ   LYS  19          2HZ       LYS  19  13.542   5.582  -7.583
  478    H    CYS  20           H        CYS  20   7.619   6.497  -2.929
  479    HA   CYS  20           HA       CYS  20   5.615   6.009  -5.062
  480   1HB   CYS  20          2HB       CYS  20   5.296   7.130  -2.256
  481   2HB   CYS  20          1HB       CYS  20   3.995   7.070  -3.455
  482    H    GLU  21           H        GLU  21   4.132   7.847  -5.495
  483    HA   GLU  21           HA       GLU  21   5.748  10.080  -6.491
  484   1HB   GLU  21          2HB       GLU  21   2.750   9.704  -6.831
  485   2HB   GLU  21          1HB       GLU  21   3.860  10.627  -7.852
  486   1HG   GLU  21          2HG       GLU  21   3.547   7.611  -7.661
  487   2HG   GLU  21          1HG       GLU  21   3.336   8.647  -9.079
  488    H    GLY  22           H        GLY  22   5.167  12.247  -6.235
  489   1HA   GLY  22          2HA       GLY  22   4.704  14.176  -5.064
  490   2HA   GLY  22          1HA       GLY  22   3.237  13.359  -4.506
  491    H    SER  23           H        SER  23   3.196  12.394  -2.535
  492    HA   SER  23           HA       SER  23   5.501  11.923  -0.863
  493   1HB   SER  23          2HB       SER  23   5.206  14.441  -0.655
  494   2HB   SER  23          1HB       SER  23   3.585  14.148   0.008
  495    HG   SER  23           HG       SER  23   4.612  12.932   1.702
  496    H    ILE  24           H        ILE  24   3.539  10.342  -1.868
  497    HA   ILE  24           HA       ILE  24   1.323   9.834  -0.147
  498    HB   ILE  24           HB       ILE  24   2.753   8.282  -2.296
  499   1HG1  ILE  24          2HG1      ILE  24   1.436  10.158  -3.064
  500   2HG1  ILE  24          1HG1      ILE  24   0.703   8.637  -3.583
  501   1HG2  ILE  24          1HG2      ILE  24   0.338   7.245  -0.782
  502   2HG2  ILE  24          3HG2      ILE  24   0.971   6.573  -2.304
  503   3HG2  ILE  24          2HG2      ILE  24   1.960   6.520  -0.831
  504   1HD1  ILE  24          2HD1      ILE  24  -0.993   8.817  -1.790
  505   2HD1  ILE  24          1HD1      ILE  24  -0.268  10.352  -1.253
  506   3HD1  ILE  24          3HD1      ILE  24  -1.020  10.235  -2.855
  507    H    ALA  25           H        ALA  25   4.628   8.745  -0.115
  508    HA   ALA  25           HA       ALA  25   4.674   6.608   1.624
  509   1HB   ALA  25          2HB       ALA  25   6.684   7.612   0.584
  510   2HB   ALA  25          1HB       ALA  25   6.525   9.042   1.627
  511   3HB   ALA  25          3HB       ALA  25   6.906   7.459   2.344
  512    H    THR  26           H        THR  26   4.349  10.024   2.450
  513    HA   THR  26           HA       THR  26   4.422   9.897   5.262
  514    HB   THR  26           HB       THR  26   2.815  11.773   3.469
  515    HG1  THR  26           HG1      THR  26   4.711  13.079   3.690
  516   1HG2  THR  26          1HG2      THR  26   3.794  12.181   6.333
  517   2HG2  THR  26          3HG2      THR  26   2.997  13.406   5.318
  518   3HG2  THR  26          2HG2      THR  26   2.099  11.963   5.837
  519    H    MET  27           H        MET  27   1.641   9.725   3.061
  520    HA   MET  27           HA       MET  27  -0.418   9.466   4.983
  521   1HB   MET  27          2HB       MET  27  -0.297   8.444   2.115
  522   2HB   MET  27          1HB       MET  27  -1.749   8.431   3.122
  523   1HG   MET  27          2HG       MET  27  -1.837  10.341   1.643
  524   2HG   MET  27          1HG       MET  27  -1.640  10.907   3.307
  525   1HE   MET  27          1HE       MET  27  -1.007  13.320   2.393
  526   2HE   MET  27          3HE       MET  27   0.276  13.618   1.196
  527   3HE   MET  27          2HE       MET  27  -1.195  12.736   0.722
  528    H    ILE  28           H        ILE  28   1.438   6.990   3.263
  529    HA   ILE  28           HA       ILE  28   0.198   4.655   4.185
  530    HB   ILE  28           HB       ILE  28   3.103   5.259   3.540
  531   1HG1  ILE  28          2HG1      ILE  28   1.641   5.556   1.633
  532   2HG1  ILE  28          1HG1      ILE  28   2.695   4.157   1.400
  533   1HG2  ILE  28          1HG2      ILE  28   1.893   2.518   4.006
  534   2HG2  ILE  28          3HG2      ILE  28   3.497   2.829   3.296
  535   3HG2  ILE  28          2HG2      ILE  28   3.160   3.308   4.969
  536   1HD1  ILE  28          2HD1      ILE  28   0.812   2.640   1.998
  537   2HD1  ILE  28          1HD1      ILE  28  -0.242   4.053   2.234
  538   3HD1  ILE  28          3HD1      ILE  28   0.403   3.681   0.619
  539    H    LYS  29           H        LYS  29   3.010   6.309   5.569
  540    HA   LYS  29           HA       LYS  29   3.348   4.650   7.835
  541   1HB   LYS  29          2HB       LYS  29   5.075   6.171   6.914
  542   2HB   LYS  29          1HB       LYS  29   4.131   7.571   7.445
  543   1HG   LYS  29          2HG       LYS  29   4.401   6.897   9.801
  544   2HG   LYS  29          1HG       LYS  29   5.272   5.437   9.308
  545   1HD   LYS  29          2HD       LYS  29   6.206   8.301   8.822
  546   2HD   LYS  29          1HD       LYS  29   6.786   7.242  10.117
  547   1HE   LYS  29          2HE       LYS  29   7.677   5.652   8.411
  548   2HE   LYS  29          1HE       LYS  29   7.121   6.742   7.119
  549   1HZ   LYS  29          2HZ       LYS  29   8.518   8.466   8.022
  550   2HZ   LYS  29          1HZ       LYS  29   9.053   7.427   9.255
  551   3HZ   LYS  29          3HZ       LYS  29   9.434   7.089   7.635
  552    H    LYS  30           H        LYS  30   1.439   7.552   7.350
  553    HA   LYS  30           HA       LYS  30   0.851   8.273  10.001
  554   1HB   LYS  30          2HB       LYS  30   0.367   9.627   7.936
  555   2HB   LYS  30          1HB       LYS  30  -0.956   8.522   7.554
  556   1HG   LYS  30          2HG       LYS  30  -1.837  10.544   8.594
  557   2HG   LYS  30          1HG       LYS  30  -2.113   9.152   9.649
  558   1HD   LYS  30          2HD       LYS  30  -1.405  11.107  10.955
  559   2HD   LYS  30          1HD       LYS  30  -0.195   9.821  11.064
  560   1HE   LYS  30          2HE       LYS  30   1.210  10.999   9.374
  561   2HE   LYS  30          1HE       LYS  30  -0.014  12.286   9.262
  562   1HZ   LYS  30          1HZ       LYS  30   1.465  11.497  11.705
  563   2HZ   LYS  30          3HZ       LYS  30   1.768  12.873  10.756
  564   3HZ   LYS  30          2HZ       LYS  30   0.301  12.729  11.599
  565    H    LYS  31           H        LYS  31  -1.059   6.268   7.769
  566    HA   LYS  31           HA       LYS  31  -3.045   5.401   9.619
  567   1HB   LYS  31          2HB       LYS  31  -1.976   4.007   7.119
  568   2HB   LYS  31          1HB       LYS  31  -3.485   3.610   7.949
  569   1HG   LYS  31          2HG       LYS  31  -2.856   6.254   6.565
  570   2HG   LYS  31          1HG       LYS  31  -3.865   4.955   5.915
  571   1HD   LYS  31          2HD       LYS  31  -5.450   5.257   7.826
  572   2HD   LYS  31          1HD       LYS  31  -4.453   6.596   8.418
  573   1HE   LYS  31          2HE       LYS  31  -6.379   7.475   7.174
  574   2HE   LYS  31          1HE       LYS  31  -4.877   7.840   6.295
  575   1HZ   LYS  31          2HZ       LYS  31  -5.272   5.917   4.910
  576   2HZ   LYS  31          1HZ       LYS  31  -6.710   5.578   5.746
  577   3HZ   LYS  31          3HZ       LYS  31  -6.577   7.001   4.828
  578    H    CYS  32           H        CYS  32  -0.143   3.830   8.395
  579    HA   CYS  32           HA       CYS  32  -0.355   1.450   9.988
  580   1HB   CYS  32          2HB       CYS  32   1.765   2.621   8.158
  581   2HB   CYS  32          1HB       CYS  32   2.012   1.090   9.011
  582    H    ASP  33           H        ASP  33   1.953   0.764  10.883
  583    HA   ASP  33           HA       ASP  33   3.101   2.770  12.719
  584   1HB   ASP  33          2HB       ASP  33   2.812   1.337  14.675
  585   2HB   ASP  33          1HB       ASP  33   1.232   1.677  13.962
  586    H    LYS  34           H        LYS  34   4.829   1.566  14.094
  587    HA   LYS  34           HA       LYS  34   6.247  -0.617  12.863
  588   1HB   LYS  34          2HB       LYS  34   8.292   0.701  12.242
  589   2HB   LYS  34          1HB       LYS  34   6.894   0.982  11.215
  590   1HG   LYS  34          2HG       LYS  34   7.966   3.092  11.576
  591   2HG   LYS  34          1HG       LYS  34   6.444   3.111  12.472
  592   1HD   LYS  34          2HD       LYS  34   7.642   2.724  14.586
  593   2HD   LYS  34          1HD       LYS  34   9.178   2.570  13.716
  594   1HE   LYS  34          2HE       LYS  34   9.000   4.792  14.744
  595   2HE   LYS  34          1HE       LYS  34   8.941   4.958  12.975
  596   1HZ   LYS  34          2HZ       LYS  34   6.544   5.054  13.109
  597   2HZ   LYS  34          1HZ       LYS  34   6.607   4.905  14.799
  598   3HZ   LYS  34          3HZ       LYS  34   7.253   6.283  14.045
   
  No H/Q in entry =         598
  Start of MODEL           2
 Raw file had  604 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   4.373 -14.091   6.597
    2   2H    GLY   1          3H        GLY   1   5.474 -13.165   7.501
    3   3H    GLY   1          2H        GLY   1   3.954 -12.524   7.095
    4   1HA   GLY   1          2HA       GLY   1   5.675 -11.583   5.717
    5   2HA   GLY   1          1HA       GLY   1   6.114 -13.221   5.195
    6    H    VAL   2           H        VAL   2   4.050 -14.515   4.533
    7    HA   VAL   2           HA       VAL   2   3.011 -13.336   2.142
    8    HB   VAL   2           HB       VAL   2   3.487 -15.749   2.526
    9   1HG1  VAL   2          2HG1      VAL   2   2.644 -16.059   4.783
   10   2HG1  VAL   2          1HG1      VAL   2   0.978 -15.756   4.241
   11   3HG1  VAL   2          3HG1      VAL   2   1.848 -17.200   3.675
   12   1HG2  VAL   2          1HG2      VAL   2   2.116 -15.137   0.611
   13   2HG2  VAL   2          3HG2      VAL   2   1.583 -16.690   1.294
   14   3HG2  VAL   2          2HG2      VAL   2   0.639 -15.222   1.600
   15    H    ILE   3           H        ILE   3   0.717 -13.258   1.605
   16    HA   ILE   3           HA       ILE   3  -1.099 -12.479   3.820
   17    HB   ILE   3           HB       ILE   3  -0.502 -10.893   1.296
   18   1HG1  ILE   3          2HG1      ILE   3  -0.064 -10.221   4.228
   19   2HG1  ILE   3          1HG1      ILE   3   1.181 -10.568   3.026
   20   1HG2  ILE   3          2HG2      ILE   3  -2.916 -10.812   1.723
   21   2HG2  ILE   3          1HG2      ILE   3  -2.617 -10.330   3.409
   22   3HG2  ILE   3          3HG2      ILE   3  -2.181  -9.239   2.074
   23   1HD1  ILE   3          2HD1      ILE   3   0.578  -8.519   1.773
   24   2HD1  ILE   3          1HD1      ILE   3  -0.677  -8.147   2.983
   25   3HD1  ILE   3          3HD1      ILE   3   1.037  -8.157   3.452
   26    HA   PRO   4           HA       PRO   4  -3.702 -15.136   1.328
   27   1HB   PRO   4          2HB       PRO   4  -5.990 -15.011   2.774
   28   2HB   PRO   4          1HB       PRO   4  -4.503 -15.724   3.485
   29   1HG   PRO   4          1HG       PRO   4  -5.553 -12.871   3.760
   30   2HG   PRO   4          2HG       PRO   4  -5.104 -14.019   5.067
   31   1HD   PRO   4          1HD       PRO   4  -3.324 -12.160   4.145
   32   2HD   PRO   4          2HD       PRO   4  -2.787 -13.804   4.631
   33    H    LYS   5           H        LYS   5  -5.762 -15.135   0.216
   34    HA   LYS   5           HA       LYS   5  -6.150 -12.984  -1.548
   35   1HB   LYS   5          2HB       LYS   5  -6.806 -15.403  -1.896
   36   2HB   LYS   5          1HB       LYS   5  -8.178 -15.140  -0.808
   37   1HG   LYS   5          2HG       LYS   5  -9.044 -13.381  -2.362
   38   2HG   LYS   5          1HG       LYS   5  -7.679 -13.691  -3.446
   39   1HD   LYS   5          2HD       LYS   5  -9.612 -14.849  -4.325
   40   2HD   LYS   5          1HD       LYS   5  -8.470 -16.052  -3.716
   41   1HE   LYS   5          2HE       LYS   5 -10.777 -16.658  -3.103
   42   2HE   LYS   5          1HE       LYS   5  -9.833 -16.296  -1.642
   43   1HZ   LYS   5          1HZ       LYS   5 -11.659 -14.426  -3.041
   44   2HZ   LYS   5          3HZ       LYS   5 -11.992 -15.247  -1.590
   45   3HZ   LYS   5          2HZ       LYS   5 -10.758 -14.080  -1.645
   46    H    LYS   6           H        LYS   6  -7.951 -13.929   1.333
   47    HA   LYS   6           HA       LYS   6 -10.134 -12.202   1.312
   48   1HB   LYS   6          2HB       LYS   6  -9.490 -14.090   2.952
   49   2HB   LYS   6          1HB       LYS   6  -8.539 -12.883   3.812
   50   1HG   LYS   6          2HG       LYS   6 -11.547 -12.779   3.323
   51   2HG   LYS   6          1HG       LYS   6 -10.769 -13.260   4.831
   52   1HD   LYS   6          2HD       LYS   6 -10.724 -10.475   3.592
   53   2HD   LYS   6          1HD       LYS   6 -11.666 -10.994   4.986
   54   1HE   LYS   6          2HE       LYS   6  -9.623 -11.383   6.297
   55   2HE   LYS   6          1HE       LYS   6  -8.616 -10.950   4.897
   56   1HZ   LYS   6          1HZ       LYS   6 -10.582  -9.175   6.225
   57   2HZ   LYS   6          3HZ       LYS   6  -8.893  -9.103   6.403
   58   3HZ   LYS   6          2HZ       LYS   6  -9.602  -8.775   4.896
   59    H    ILE   7           H        ILE   7  -6.965 -11.622   2.850
   60    HA   ILE   7           HA       ILE   7  -7.448  -8.989   3.713
   61    HB   ILE   7           HB       ILE   7  -4.877 -10.415   2.997
   62   1HG1  ILE   7          2HG1      ILE   7  -6.165 -11.321   4.919
   63   2HG1  ILE   7          1HG1      ILE   7  -4.553 -10.741   5.354
   64   1HG2  ILE   7          1HG2      ILE   7  -5.125  -7.688   4.337
   65   2HG2  ILE   7          3HG2      ILE   7  -3.634  -8.650   4.234
   66   3HG2  ILE   7          2HG2      ILE   7  -4.398  -8.037   2.754
   67   1HD1  ILE   7          1HD1      ILE   7  -7.171  -9.235   5.821
   68   2HD1  ILE   7          3HD1      ILE   7  -6.233 -10.106   7.056
   69   3HD1  ILE   7          2HD1      ILE   7  -5.551  -8.661   6.277
   70    H    TRP   8           H        TRP   8  -5.893 -10.079   0.685
   71    HA   TRP   8           HA       TRP   8  -5.250  -7.590  -0.402
   72   1HB   TRP   8          2HB       TRP   8  -6.090 -10.171  -1.785
   73   2HB   TRP   8          1HB       TRP   8  -5.460  -8.756  -2.653
   74    HD1  TRP   8          1HD       TRP   8  -4.121 -11.950  -1.410
   75    HE1  TRP   8          1HE       TRP   8  -1.655 -11.869  -0.897
   76    HE3  TRP   8          3HE       TRP   8  -3.540  -6.864  -1.331
   77    HZ2  TRP   8          2HZ       TRP   8   0.319  -9.874  -0.532
   78    HZ3  TRP   8          3HZ       TRP   8  -1.295  -5.920  -0.904
   79    HH2  TRP   8          2HH       TRP   8   0.630  -7.426  -0.511
   80    H    GLU   9           H        GLU   9  -8.303  -9.334  -0.618
   81    HA   GLU   9           HA       GLU   9  -9.689  -7.532  -2.344
   82   1HB   GLU   9          2HB       GLU   9 -10.706  -9.518  -0.265
   83   2HB   GLU   9          1HB       GLU   9 -11.729  -8.698  -1.457
   84   1HG   GLU   9          2HG       GLU   9 -10.601  -9.764  -3.303
   85   2HG   GLU   9          1HG       GLU   9  -9.325 -10.392  -2.250
   86    H    THR  10           H        THR  10  -9.536  -7.815   1.176
   87    HA   THR  10           HA       THR  10 -11.430  -5.824   1.869
   88    HB   THR  10           HB       THR  10  -9.005  -6.893   3.376
   89    HG1  THR  10           HG1      THR  10 -10.648  -8.418   2.802
   90   1HG2  THR  10          1HG2      THR  10 -11.405  -5.366   4.486
   91   2HG2  THR  10          3HG2      THR  10 -10.127  -6.144   5.449
   92   3HG2  THR  10          2HG2      THR  10  -9.734  -4.757   4.408
   93    H    VAL  11           H        VAL  11  -7.932  -5.656   1.430
   94    HA   VAL  11           HA       VAL  11  -7.667  -2.933   2.301
   95    HB   VAL  11           HB       VAL  11  -5.363  -3.078   1.597
   96   1HG1  VAL  11          1HG1      VAL  11  -6.294  -5.558   3.082
   97   2HG1  VAL  11          3HG1      VAL  11  -4.624  -4.959   3.037
   98   3HG1  VAL  11          2HG1      VAL  11  -5.904  -3.975   3.779
   99   1HG2  VAL  11          1HG2      VAL  11  -5.525  -4.310  -0.495
  100   2HG2  VAL  11          3HG2      VAL  11  -4.380  -5.110   0.602
  101   3HG2  VAL  11          2HG2      VAL  11  -6.011  -5.776   0.382
  102    H    CYS  12           H        CYS  12  -8.174  -4.434  -0.787
  103    HA   CYS  12           HA       CYS  12  -7.306  -3.036  -2.806
  104   1HB   CYS  12          2HB       CYS  12 -10.098  -3.964  -2.262
  105   2HB   CYS  12          1HB       CYS  12  -9.828  -2.979  -3.693
  106    HA   PRO  13           HA       PRO  13 -10.200   0.800  -2.857
  107   1HB   PRO  13          2HB       PRO  13 -11.640   1.451  -0.595
  108   2HB   PRO  13          1HB       PRO  13 -12.264   0.368  -1.881
  109   1HG   PRO  13          1HG       PRO  13 -10.881  -0.393   0.731
  110   2HG   PRO  13          2HG       PRO  13 -12.427  -1.011   0.058
  111   1HD   PRO  13          1HD       PRO  13 -10.154  -2.407  -0.311
  112   2HD   PRO  13          2HD       PRO  13 -11.327  -2.240  -1.658
  113    H    THR  14           H        THR  14  -9.092   0.239   0.465
  114    HA   THR  14           HA       THR  14  -8.289   2.873   1.122
  115    HB   THR  14           HB       THR  14  -7.226   0.210   2.151
  116    HG1  THR  14           HG1      THR  14  -8.868   0.511   3.747
  117   1HG2  THR  14          1HG2      THR  14  -7.248   2.956   3.489
  118   2HG2  THR  14          3HG2      THR  14  -6.740   1.435   4.257
  119   3HG2  THR  14          2HG2      THR  14  -5.807   2.096   2.898
  120    H    VAL  15           H        VAL  15  -6.450   0.140  -0.173
  121    HA   VAL  15           HA       VAL  15  -3.928   1.523  -0.227
  122    HB   VAL  15           HB       VAL  15  -3.033  -0.431  -1.306
  123   1HG1  VAL  15          2HG1      VAL  15  -3.279  -0.501   1.111
  124   2HG1  VAL  15          1HG1      VAL  15  -4.930  -1.140   0.958
  125   3HG1  VAL  15          3HG1      VAL  15  -3.544  -2.124   0.428
  126   1HG2  VAL  15          2HG2      VAL  15  -5.871  -1.488  -1.541
  127   2HG2  VAL  15          1HG2      VAL  15  -4.800  -1.023  -2.881
  128   3HG2  VAL  15          3HG2      VAL  15  -4.392  -2.417  -1.860
  129    H    GLU  16           H        GLU  16  -6.525   1.164  -2.469
  130    HA   GLU  16           HA       GLU  16  -5.406   1.344  -4.971
  131   1HB   GLU  16          2HB       GLU  16  -7.795   1.064  -4.575
  132   2HB   GLU  16          1HB       GLU  16  -7.935   2.710  -3.971
  133   1HG   GLU  16          2HG       GLU  16  -7.109   2.003  -6.819
  134   2HG   GLU  16          1HG       GLU  16  -8.778   2.334  -6.329
  135    HA   PRO  17           HA       PRO  17  -5.363   6.192  -4.966
  136   1HB   PRO  17          2HB       PRO  17  -5.109   7.458  -2.518
  137   2HB   PRO  17          1HB       PRO  17  -6.683   7.136  -3.317
  138   1HG   PRO  17          1HG       PRO  17  -5.250   5.461  -1.206
  139   2HG   PRO  17          2HG       PRO  17  -6.951   6.039  -1.214
  140   1HD   PRO  17          1HD       PRO  17  -6.411   3.553  -2.039
  141   2HD   PRO  17          2HD       PRO  17  -7.567   4.551  -2.979
  142    H    TRP  18           H        TRP  18  -3.600   4.717  -2.240
  143    HA   TRP  18           HA       TRP  18  -1.213   6.244  -2.490
  144   1HB   TRP  18          2HB       TRP  18  -1.516   3.410  -1.407
  145   2HB   TRP  18          1HB       TRP  18  -0.113   4.465  -1.168
  146    HD1  TRP  18          1HD       TRP  18  -1.651   7.257  -0.345
  147    HE1  TRP  18          1HE       TRP  18  -2.743   7.445   1.913
  148    HE3  TRP  18          3HE       TRP  18  -2.267   2.272   0.586
  149    HZ2  TRP  18          2HZ       TRP  18  -3.787   5.675   3.856
  150    HZ3  TRP  18          3HZ       TRP  18  -3.361   1.568   2.691
  151    HH2  TRP  18          2HH       TRP  18  -4.109   3.265   4.330
  152    H    ALA  19           H        ALA  19  -1.845   2.907  -3.520
  153    HA   ALA  19           HA       ALA  19   0.521   2.356  -4.884
  154   1HB   ALA  19          2HB       ALA  19  -1.154   0.645  -4.301
  155   2HB   ALA  19          1HB       ALA  19  -2.295   1.336  -5.477
  156   3HB   ALA  19          3HB       ALA  19  -0.783   0.583  -6.039
  157    H    LYS  20           H        LYS  20  -2.479   3.699  -6.165
  158    HA   LYS  20           HA       LYS  20  -1.857   3.999  -8.884
  159   1HB   LYS  20          2HB       LYS  20  -4.088   4.398  -7.968
  160   2HB   LYS  20          1HB       LYS  20  -3.500   5.763  -7.010
  161   1HG   LYS  20          2HG       LYS  20  -2.991   7.006  -9.111
  162   2HG   LYS  20          1HG       LYS  20  -3.608   5.637 -10.057
  163   1HD   LYS  20          2HD       LYS  20  -5.845   5.934  -9.083
  164   2HD   LYS  20          1HD       LYS  20  -5.248   7.238  -8.039
  165   1HE   LYS  20          2HE       LYS  20  -4.732   8.604 -10.062
  166   2HE   LYS  20          1HE       LYS  20  -5.353   7.295 -11.095
  167   1HZ   LYS  20          2HZ       LYS  20  -7.481   7.498 -10.000
  168   2HZ   LYS  20          1HZ       LYS  20  -6.885   8.748  -9.015
  169   3HZ   LYS  20          3HZ       LYS  20  -7.016   8.979 -10.693
  170    H    LYS  21           H        LYS  21  -1.466   6.353  -6.261
  171    HA   LYS  21           HA       LYS  21   0.366   8.047  -7.808
  172   1HB   LYS  21          2HB       LYS  21  -0.654   8.213  -4.939
  173   2HB   LYS  21          1HB       LYS  21   0.330   9.447  -5.744
  174   1HG   LYS  21          2HG       LYS  21  -1.466   9.837  -7.388
  175   2HG   LYS  21          1HG       LYS  21  -2.440   8.545  -6.664
  176   1HD   LYS  21          2HD       LYS  21  -3.261  10.714  -5.912
  177   2HD   LYS  21          1HD       LYS  21  -2.576   9.822  -4.544
  178   1HE   LYS  21          2HE       LYS  21  -0.481  11.179  -4.724
  179   2HE   LYS  21          1HE       LYS  21  -1.196  12.079  -6.083
  180   1HZ   LYS  21          2HZ       LYS  21  -2.973  12.775  -4.632
  181   2HZ   LYS  21          1HZ       LYS  21  -2.293  11.915  -3.336
  182   3HZ   LYS  21          3HZ       LYS  21  -1.465  13.241  -4.002
  183    H    CYS  22           H        CYS  22   1.478   5.624  -7.690
  184    HA   CYS  22           HA       CYS  22   3.921   6.074  -6.167
  185   1HB   CYS  22          2HB       CYS  22   2.332   4.859  -4.582
  186   2HB   CYS  22          1HB       CYS  22   2.357   3.487  -5.705
  187    H    SER  23           H        SER  23   5.458   4.220  -6.532
  188    HA   SER  23           HA       SER  23   5.224   2.906  -9.162
  189   1HB   SER  23          2HB       SER  23   7.381   4.977  -8.489
  190   2HB   SER  23          1HB       SER  23   7.342   3.971  -9.954
  191    HG   SER  23           HG       SER  23   5.322   5.847  -9.184
  192    H    GLY  24           H        GLY  24   7.572   1.984  -9.640
  193   1HA   GLY  24          2HA       GLY  24   9.393   0.660  -8.977
  194   2HA   GLY  24          1HA       GLY  24   8.943   0.908  -7.283
  195    H    ASP  25           H        ASP  25   9.677  -1.435  -7.644
  196    HA   ASP  25           HA       ASP  25   8.113  -3.388  -8.939
  197   1HB   ASP  25          2HB       ASP  25   9.939  -3.680  -6.507
  198   2HB   ASP  25          1HB       ASP  25   9.374  -5.009  -7.538
  199    H    ILE  26           H        ILE  26   8.103  -2.372  -5.537
  200    HA   ILE  26           HA       ILE  26   6.232  -4.307  -4.616
  201    HB   ILE  26           HB       ILE  26   6.811  -1.565  -3.456
  202   1HG1  ILE  26          2HG1      ILE  26   8.911  -2.768  -3.725
  203   2HG1  ILE  26          1HG1      ILE  26   8.484  -2.630  -2.022
  204   1HG2  ILE  26          1HG2      ILE  26   5.653  -4.074  -2.166
  205   2HG2  ILE  26          3HG2      ILE  26   6.106  -2.597  -1.296
  206   3HG2  ILE  26          2HG2      ILE  26   4.794  -2.552  -2.489
  207   1HD1  ILE  26          1HD1      ILE  26   8.115  -5.126  -3.750
  208   2HD1  ILE  26          3HD1      ILE  26   9.384  -4.873  -2.531
  209   3HD1  ILE  26          2HD1      ILE  26   7.683  -4.991  -2.029
  210    H    ALA  27           H        ALA  27   5.787  -0.933  -5.655
  211    HA   ALA  27           HA       ALA  27   3.031  -0.646  -5.236
  212   1HB   ALA  27          1HB       ALA  27   4.706   0.443  -7.545
  213   2HB   ALA  27          3HB       ALA  27   3.102   1.039  -7.063
  214   3HB   ALA  27          2HB       ALA  27   4.482   1.215  -5.958
  215    H    THR  28           H        THR  28   4.739  -1.963  -8.036
  216    HA   THR  28           HA       THR  28   2.523  -2.612  -9.671
  217    HB   THR  28           HB       THR  28   5.244  -3.986  -9.487
  218    HG1  THR  28           HG1      THR  28   5.746  -2.496 -11.179
  219   1HG2  THR  28          1HG2      THR  28   3.253  -3.910 -11.798
  220   2HG2  THR  28          3HG2      THR  28   4.887  -4.612 -11.849
  221   3HG2  THR  28          2HG2      THR  28   3.641  -5.339 -10.811
  222    H    TYR  29           H        TYR  29   4.200  -4.491  -7.174
  223    HA   TYR  29           HA       TYR  29   2.920  -6.984  -7.536
  224   1HB   TYR  29          2HB       TYR  29   4.889  -6.854  -6.153
  225   2HB   TYR  29          1HB       TYR  29   4.131  -5.691  -5.057
  226    HD1  TYR  29          1HD       TYR  29   3.502  -9.152  -6.421
  227    HD2  TYR  29          2HD       TYR  29   3.296  -6.501  -3.048
  228    HE1  TYR  29          1HE       TYR  29   2.581 -10.980  -5.036
  229    HE2  TYR  29          2HE       TYR  29   2.371  -8.330  -1.668
  230    HH   TYR  29           HH       TYR  29   1.693 -11.549  -3.055
  231    H    ILE  30           H        ILE  30   2.185  -4.459  -5.144
  232    HA   ILE  30           HA       ILE  30  -0.118  -5.538  -3.989
  233    HB   ILE  30           HB       ILE  30   0.653  -2.638  -4.496
  234   1HG1  ILE  30          2HG1      ILE  30   1.005  -4.299  -1.975
  235   2HG1  ILE  30          1HG1      ILE  30   2.277  -4.069  -3.179
  236   1HG2  ILE  30          1HG2      ILE  30  -1.423  -3.724  -2.543
  237   2HG2  ILE  30          3HG2      ILE  30  -0.859  -2.039  -2.619
  238   3HG2  ILE  30          2HG2      ILE  30  -1.749  -2.735  -3.985
  239   1HD1  ILE  30          2HD1      ILE  30   2.202  -1.621  -2.800
  240   2HD1  ILE  30          1HD1      ILE  30   0.941  -1.847  -1.562
  241   3HD1  ILE  30          3HD1      ILE  30   2.574  -2.501  -1.303
  242    H    LYS  31           H        LYS  31   0.199  -3.432  -6.801
  243    HA   LYS  31           HA       LYS  31  -2.493  -2.993  -7.468
  244   1HB   LYS  31          2HB       LYS  31  -0.323  -1.987  -8.477
  245   2HB   LYS  31          1HB       LYS  31  -0.259  -3.427  -9.493
  246   1HG   LYS  31          2HG       LYS  31  -1.292  -1.691 -10.785
  247   2HG   LYS  31          1HG       LYS  31  -2.552  -2.859 -10.366
  248   1HD   LYS  31          2HD       LYS  31  -3.414  -0.585 -10.120
  249   2HD   LYS  31          1HD       LYS  31  -3.331  -1.363  -8.533
  250   1HE   LYS  31          2HE       LYS  31  -1.211  -0.143  -8.045
  251   2HE   LYS  31          1HE       LYS  31  -1.299   0.637  -9.640
  252   1HZ   LYS  31          2HZ       LYS  31  -3.403   1.602  -9.002
  253   2HZ   LYS  31          1HZ       LYS  31  -3.313   0.856  -7.478
  254   3HZ   LYS  31          3HZ       LYS  31  -2.179   2.043  -7.911
  255    H    ARG  32           H        ARG  32  -0.319  -5.632  -8.329
  256    HA   ARG  32           HA       ARG  32  -2.076  -7.091 -10.045
  257   1HB   ARG  32          2HB       ARG  32   0.390  -7.362 -10.029
  258   2HB   ARG  32          1HB       ARG  32   0.308  -8.070  -8.410
  259   1HG   ARG  32          2HG       ARG  32  -1.065  -9.932  -9.286
  260   2HG   ARG  32          1HG       ARG  32  -0.960  -9.243 -10.919
  261   1HD   ARG  32          2HD       ARG  32   1.526  -9.522 -10.845
  262   2HD   ARG  32          1HD       ARG  32   1.377 -10.250  -9.227
  263    HE   ARG  32           HE       ARG  32  -0.312 -11.614 -11.097
  264   1HH1  ARG  32          1HH2      ARG  32   3.515 -12.788 -10.779
  265   2HH1  ARG  32          2HH2      ARG  32   3.064 -11.215 -10.208
  266   1HH2  ARG  32          2HH1      ARG  32   0.299 -13.673 -11.817
  267   2HH2  ARG  32          1HH1      ARG  32   1.952 -14.178 -11.689
  268    H    GLU  33           H        GLU  33  -1.421  -7.291  -6.556
  269    HA   GLU  33           HA       GLU  33  -2.765  -9.738  -6.044
  270   1HB   GLU  33          2HB       GLU  33  -2.300  -7.372  -4.178
  271   2HB   GLU  33          1HB       GLU  33  -2.822  -8.988  -3.681
  272   1HG   GLU  33          2HG       GLU  33  -0.156  -8.298  -4.999
  273   2HG   GLU  33          1HG       GLU  33  -0.405  -8.697  -3.297
  274    H    CYS  34           H        CYS  34  -3.888  -6.419  -5.411
  275    HA   CYS  34           HA       CYS  34  -6.596  -7.090  -4.852
  276   1HB   CYS  34          2HB       CYS  34  -5.728  -4.945  -4.139
  277   2HB   CYS  34          1HB       CYS  34  -5.322  -4.490  -5.806
  278    H    GLY  35           H        GLY  35  -5.100  -5.772  -7.788
  279   1HA   GLY  35          2HA       GLY  35  -7.437  -5.551  -9.367
  280   2HA   GLY  35          1HA       GLY  35  -5.783  -5.607  -9.993
  281    H    LYS  36           H        LYS  36  -4.786  -7.837  -9.962
  282    HA   LYS  36           HA       LYS  36  -6.563  -9.785 -11.233
  283   1HB   LYS  36          2HB       LYS  36  -4.191  -9.269 -12.003
  284   2HB   LYS  36          1HB       LYS  36  -3.606 -10.081 -10.550
  285   1HG   LYS  36          2HG       LYS  36  -5.052 -12.112 -11.371
  286   2HG   LYS  36          1HG       LYS  36  -5.122 -11.252 -12.912
  287   1HD   LYS  36          2HD       LYS  36  -3.314 -12.650 -13.278
  288   2HD   LYS  36          1HD       LYS  36  -2.491 -11.193 -12.701
  289   1HE   LYS  36          2HE       LYS  36  -3.134 -13.673 -11.034
  290   2HE   LYS  36          1HE       LYS  36  -1.535 -13.203 -11.647
  291   1HZ   LYS  36          1HZ       LYS  36  -3.187 -11.650  -9.745
  292   2HZ   LYS  36          3HZ       LYS  36  -1.825 -12.582  -9.353
  293   3HZ   LYS  36          2HZ       LYS  36  -1.658 -11.206 -10.332
  294    H    LEU  37           H        LEU  37  -7.769  -9.758  -9.086
  295    HA   LEU  37           HA       LEU  37  -6.728 -11.110  -6.796
  296   1HB   LEU  37          2HB       LEU  37  -8.652  -9.520  -6.802
  297   2HB   LEU  37          1HB       LEU  37  -9.616 -10.699  -7.682
  298    HG   LEU  37           HG       LEU  37 -10.075 -10.497  -5.223
  299   1HD1  LEU  37          2HD1      LEU  37 -10.830 -12.495  -6.408
  300   2HD1  LEU  37          1HD1      LEU  37  -9.272 -13.297  -6.110
  301   3HD1  LEU  37          3HD1      LEU  37 -10.327 -12.886  -4.749
  302   1HD2  LEU  37          1HD2      LEU  37  -7.819 -10.195  -4.373
  303   2HD2  LEU  37          3HD2      LEU  37  -8.555 -11.629  -3.622
  304   3HD2  LEU  37          2HD2      LEU  37  -7.356 -11.825  -4.913
  305   1H    TRP   1          1H        TRP   1  -5.992  -3.694   9.087
  306   2H    TRP   1          3H        TRP   1  -5.483  -2.617   7.876
  307   3H    TRP   1          2H        TRP   1  -4.857  -2.484   9.450
  308    HA   TRP   1           HA       TRP   1  -6.483  -0.768   9.074
  309   1HB   TRP   1          2HB       TRP   1  -8.374  -3.129   8.603
  310   2HB   TRP   1          1HB       TRP   1  -8.829  -1.418   8.637
  311    HD1  TRP   1          1HD       TRP   1  -9.606  -2.943   6.042
  312    HE1  TRP   1          1HE       TRP   1  -8.581  -2.521   3.788
  313    HE3  TRP   1          3HE       TRP   1  -5.240  -0.674   7.576
  314    HZ2  TRP   1          2HZ       TRP   1  -6.189  -1.418   2.776
  315    HZ3  TRP   1          3HZ       TRP   1  -3.630   0.046   5.878
  316    HH2  TRP   1          2HH       TRP   1  -4.095  -0.324   3.475
  317    H    SER   2           H        SER   2  -7.819  -3.800  10.354
  318    HA   SER   2           HA       SER   2  -8.365  -2.821  13.000
  319   1HB   SER   2          2HB       SER   2  -9.479  -4.787  11.817
  320   2HB   SER   2          1HB       SER   2  -7.976  -5.703  12.057
  321    HG   SER   2           HG       SER   2  -9.563  -4.548  14.136
  322    H    THR   3           H        THR   3  -7.333  -4.432  14.842
  323    HA   THR   3           HA       THR   3  -4.667  -3.680  15.295
  324    HB   THR   3           HB       THR   3  -6.175  -6.108  16.368
  325    HG1  THR   3           HG1      THR   3  -5.881  -3.446  17.361
  326   1HG2  THR   3          1HG2      THR   3  -3.746  -4.665  17.529
  327   2HG2  THR   3          3HG2      THR   3  -4.658  -5.971  18.320
  328   3HG2  THR   3          2HG2      THR   3  -3.741  -6.302  16.834
  329    H    ILE   4           H        ILE   4  -5.863  -6.884  14.324
  330    HA   ILE   4           HA       ILE   4  -3.263  -7.967  13.731
  331    HB   ILE   4           HB       ILE   4  -6.052  -8.937  13.000
  332   1HG1  ILE   4          2HG1      ILE   4  -4.232  -9.738  15.305
  333   2HG1  ILE   4          1HG1      ILE   4  -5.668  -8.714  15.441
  334   1HG2  ILE   4          2HG2      ILE   4  -4.384  -9.970  11.519
  335   2HG2  ILE   4          1HG2      ILE   4  -3.404 -10.445  12.926
  336   3HG2  ILE   4          3HG2      ILE   4  -5.009 -11.167  12.666
  337   1HD1  ILE   4          2HD1      ILE   4  -7.097 -10.608  14.691
  338   2HD1  ILE   4          1HD1      ILE   4  -5.655 -11.646  14.583
  339   3HD1  ILE   4          3HD1      ILE   4  -6.175 -11.009  16.158
  340    H    VAL   5           H        VAL   5  -5.972  -6.891  11.713
  341    HA   VAL   5           HA       VAL   5  -4.993  -7.560   9.178
  342    HB   VAL   5           HB       VAL   5  -6.744  -5.205   9.953
  343   1HG1  VAL   5          2HG1      VAL   5  -5.914  -4.929   7.650
  344   2HG1  VAL   5          1HG1      VAL   5  -6.448  -6.575   7.250
  345   3HG1  VAL   5          3HG1      VAL   5  -7.646  -5.323   7.647
  346   1HG2  VAL   5          1HG2      VAL   5  -7.687  -7.323  10.766
  347   2HG2  VAL   5          3HG2      VAL   5  -8.654  -6.689   9.418
  348   3HG2  VAL   5          2HG2      VAL   5  -7.524  -8.036   9.147
  349    H    LYS   6           H        LYS   6  -4.545  -4.562  10.994
  350    HA   LYS   6           HA       LYS   6  -3.159  -3.010   9.112
  351   1HB   LYS   6          2HB       LYS   6  -3.997  -2.154  11.229
  352   2HB   LYS   6          1HB       LYS   6  -2.826  -3.128  12.144
  353   1HG   LYS   6          2HG       LYS   6  -0.993  -1.817  10.960
  354   2HG   LYS   6          1HG       LYS   6  -2.258  -0.785  10.281
  355   1HD   LYS   6          2HD       LYS   6  -1.658  -1.144  13.246
  356   2HD   LYS   6          1HD       LYS   6  -1.158   0.226  12.253
  357   1HE   LYS   6          2HE       LYS   6  -3.053   0.978  13.489
  358   2HE   LYS   6          1HE       LYS   6  -3.642   0.696  11.839
  359   1HZ   LYS   6          1HZ       LYS   6  -3.893  -1.190  14.110
  360   2HZ   LYS   6          3HZ       LYS   6  -5.128  -0.199  13.498
  361   3HZ   LYS   6          2HZ       LYS   6  -4.484  -1.438  12.539
  362    H    LEU   7           H        LEU   7  -1.807  -5.188  11.585
  363    HA   LEU   7           HA       LEU   7   0.917  -4.944  11.017
  364   1HB   LEU   7          2HB       LEU   7  -0.609  -7.446  11.867
  365   2HB   LEU   7          1HB       LEU   7   1.143  -7.235  11.973
  366    HG   LEU   7           HG       LEU   7  -0.897  -5.509  13.420
  367   1HD1  LEU   7          1HD1      LEU   7   0.819  -7.783  14.502
  368   2HD1  LEU   7          3HD1      LEU   7  -0.192  -6.694  15.482
  369   3HD1  LEU   7          2HD1      LEU   7  -0.951  -7.791  14.308
  370   1HD2  LEU   7          2HD2      LEU   7   2.131  -5.620  13.702
  371   2HD2  LEU   7          1HD2      LEU   7   1.181  -4.286  13.007
  372   3HD2  LEU   7          3HD2      LEU   7   1.029  -4.676  14.732
  373    H    THR   8           H        THR   8  -1.515  -6.847   9.345
  374    HA   THR   8           HA       THR   8   0.277  -8.402   7.731
  375    HB   THR   8           HB       THR   8  -2.642  -7.692   7.194
  376    HG1  THR   8           HG1      THR   8  -2.307  -8.662   9.261
  377   1HG2  THR   8          1HG2      THR   8  -0.973 -10.069   6.266
  378   2HG2  THR   8          3HG2      THR   8  -2.711  -9.832   5.967
  379   3HG2  THR   8          2HG2      THR   8  -1.526  -8.724   5.240
  380    H    ILE   9           H        ILE   9  -1.772  -5.584   6.920
  381    HA   ILE   9           HA       ILE   9  -0.748  -5.507   4.218
  382    HB   ILE   9           HB       ILE   9  -3.074  -5.059   4.622
  383   1HG1  ILE   9          2HG1      ILE   9  -3.373  -2.974   3.326
  384   2HG1  ILE   9          1HG1      ILE   9  -1.673  -2.570   3.591
  385   1HG2  ILE   9          2HG2      ILE   9  -3.013  -4.014   6.840
  386   2HG2  ILE   9          1HG2      ILE   9  -2.266  -2.554   6.155
  387   3HG2  ILE   9          3HG2      ILE   9  -3.917  -3.015   5.685
  388   1HD1  ILE   9          1HD1      ILE   9  -2.693  -5.015   2.074
  389   2HD1  ILE   9          3HD1      ILE   9  -2.028  -3.536   1.343
  390   3HD1  ILE   9          2HD1      ILE   9  -0.982  -4.591   2.318
  391    H    CYS  10           H        CYS  10  -0.513  -3.303   6.975
  392    HA   CYS  10           HA       CYS  10   0.700  -1.107   5.956
  393   1HB   CYS  10          2HB       CYS  10   1.095  -2.464   8.621
  394   2HB   CYS  10          1HB       CYS  10   1.966  -0.982   8.220
  395    HA   PRO  11           HA       PRO  11   5.253  -2.756   6.452
  396   1HB   PRO  11          2HB       PRO  11   5.586  -5.475   5.962
  397   2HB   PRO  11          1HB       PRO  11   5.464  -4.752   7.599
  398   1HG   PRO  11          1HG       PRO  11   3.263  -5.988   5.893
  399   2HG   PRO  11          2HG       PRO  11   3.667  -6.310   7.612
  400   1HD   PRO  11          1HD       PRO  11   1.674  -4.618   7.046
  401   2HD   PRO  11          2HD       PRO  11   2.855  -4.159   8.316
  402    H    THR  12           H        THR  12   3.138  -4.634   4.303
  403    HA   THR  12           HA       THR  12   4.722  -4.630   1.962
  404    HB   THR  12           HB       THR  12   1.674  -4.494   2.145
  405    HG1  THR  12           HG1      THR  12   1.881  -6.806   2.137
  406   1HG2  THR  12          2HG2      THR  12   2.523  -4.171  -0.159
  407   2HG2  THR  12          1HG2      THR  12   3.480  -5.664  -0.023
  408   3HG2  THR  12          3HG2      THR  12   1.700  -5.734   0.013
  409    H    LEU  13           H        LEU  13   2.319  -2.316   3.141
  410    HA   LEU  13           HA       LEU  13   2.404  -0.481   0.965
  411   1HB   LEU  13          2HB       LEU  13   1.679   0.056   3.875
  412   2HB   LEU  13          1HB       LEU  13   1.325   1.106   2.499
  413    HG   LEU  13           HG       LEU  13   0.219  -1.685   2.914
  414   1HD1  LEU  13          1HD1      LEU  13  -1.106   1.043   3.165
  415   2HD1  LEU  13          3HD1      LEU  13  -1.954  -0.518   3.251
  416   3HD1  LEU  13          2HD1      LEU  13  -0.751  -0.089   4.490
  417   1HD2  LEU  13          2HD2      LEU  13  -0.400   0.328   0.714
  418   2HD2  LEU  13          1HD2      LEU  13   0.466  -1.216   0.518
  419   3HD2  LEU  13          3HD2      LEU  13  -1.246  -1.215   0.982
  420    H    LYS  14           H        LYS  14   4.396  -0.793   3.841
  421    HA   LYS  14           HA       LYS  14   5.749   1.730   3.659
  422   1HB   LYS  14          2HB       LYS  14   6.632  -0.917   4.898
  423   2HB   LYS  14          1HB       LYS  14   7.512   0.602   5.059
  424   1HG   LYS  14          2HG       LYS  14   4.692   0.075   6.087
  425   2HG   LYS  14          1HG       LYS  14   6.167   0.123   7.058
  426   1HD   LYS  14          2HD       LYS  14   6.489   2.519   6.378
  427   2HD   LYS  14          1HD       LYS  14   4.946   2.449   5.502
  428   1HE   LYS  14          2HE       LYS  14   4.604   3.510   7.668
  429   2HE   LYS  14          1HE       LYS  14   3.779   1.935   7.664
  430   1HZ   LYS  14          1HZ       LYS  14   6.455   2.502   8.796
  431   2HZ   LYS  14          3HZ       LYS  14   5.023   2.273   9.689
  432   3HZ   LYS  14          2HZ       LYS  14   5.678   0.991   8.794
  433    H    SER  15           H        SER  15   6.518  -1.528   2.523
  434    HA   SER  15           HA       SER  15   8.956  -1.024   1.199
  435   1HB   SER  15          2HB       SER  15   6.766  -3.050   0.529
  436   2HB   SER  15          1HB       SER  15   8.438  -3.099  -0.078
  437    HG   SER  15           HG       SER  15   7.661  -3.172   2.671
  438    H    MET  16           H        MET  16   5.623  -0.719   0.100
  439    HA   MET  16           HA       MET  16   6.111   0.087  -2.595
  440   1HB   MET  16          2HB       MET  16   3.921  -0.711  -1.748
  441   2HB   MET  16          1HB       MET  16   3.784   0.727  -0.732
  442   1HG   MET  16          2HG       MET  16   3.730   2.166  -2.712
  443   2HG   MET  16          1HG       MET  16   3.945   0.767  -3.775
  444   1HE   MET  16          1HE       MET  16   1.549   2.764  -1.395
  445   2HE   MET  16          3HE       MET  16   0.139   1.685  -1.261
  446   3HE   MET  16          2HE       MET  16   1.685   1.222  -0.513
  447    H    ALA  17           H        ALA  17   5.707   1.849   0.413
  448    HA   ALA  17           HA       ALA  17   5.540   4.502  -0.482
  449   1HB   ALA  17          1HB       ALA  17   6.712   3.422   2.118
  450   2HB   ALA  17          3HB       ALA  17   6.249   5.103   1.817
  451   3HB   ALA  17          2HB       ALA  17   5.009   3.829   1.814
  452    H    LYS  18           H        LYS  18   8.318   2.449  -0.062
  453    HA   LYS  18           HA       LYS  18  10.507   4.093   0.110
  454   1HB   LYS  18          2HB       LYS  18  10.163   1.673  -1.714
  455   2HB   LYS  18          1HB       LYS  18  11.718   2.384  -1.272
  456   1HG   LYS  18          2HG       LYS  18   9.722   1.141   0.671
  457   2HG   LYS  18          1HG       LYS  18  11.179   0.353   0.057
  458   1HD   LYS  18          2HD       LYS  18  11.110   2.866   1.790
  459   2HD   LYS  18          1HD       LYS  18  11.496   1.231   2.346
  460   1HE   LYS  18          2HE       LYS  18  13.494   1.190   0.855
  461   2HE   LYS  18          1HE       LYS  18  13.117   2.845   0.321
  462   1HZ   LYS  18          2HZ       LYS  18  13.313   3.586   2.591
  463   2HZ   LYS  18          1HZ       LYS  18  13.675   2.008   3.104
  464   3HZ   LYS  18          3HZ       LYS  18  14.746   2.831   2.077
  465    H    LYS  19           H        LYS  19   8.713   3.347  -2.864
  466    HA   LYS  19           HA       LYS  19   9.979   5.697  -4.190
  467   1HB   LYS  19          2HB       LYS  19  11.054   3.526  -4.888
  468   2HB   LYS  19          1HB       LYS  19   9.483   2.978  -5.484
  469   1HG   LYS  19          2HG       LYS  19   9.464   4.909  -7.103
  470   2HG   LYS  19          1HG       LYS  19  11.063   5.376  -6.508
  471   1HD   LYS  19          2HD       LYS  19  12.006   3.238  -7.285
  472   2HD   LYS  19          1HD       LYS  19  10.400   2.697  -7.805
  473   1HE   LYS  19          2HE       LYS  19  11.708   3.477  -9.741
  474   2HE   LYS  19          1HE       LYS  19  10.316   4.551  -9.470
  475   1HZ   LYS  19          2HZ       LYS  19  11.768   6.063  -8.299
  476   2HZ   LYS  19          1HZ       LYS  19  13.096   5.039  -8.564
  477   3HZ   LYS  19          3HZ       LYS  19  12.328   5.791  -9.880
  478    H    CYS  20           H        CYS  20   7.651   6.095  -3.017
  479    HA   CYS  20           HA       CYS  20   5.588   5.897  -5.126
  480   1HB   CYS  20          2HB       CYS  20   5.408   6.844  -2.252
  481   2HB   CYS  20          1HB       CYS  20   4.076   6.957  -3.415
  482    H    GLU  21           H        GLU  21   4.241   7.719  -5.539
  483    HA   GLU  21           HA       GLU  21   5.818  10.033  -6.387
  484   1HB   GLU  21          2HB       GLU  21   2.852   9.375  -6.744
  485   2HB   GLU  21          1HB       GLU  21   3.748  10.647  -7.585
  486   1HG   GLU  21          2HG       GLU  21   5.118   9.016  -8.763
  487   2HG   GLU  21          1HG       GLU  21   4.444   7.682  -7.808
  488    H    GLY  22           H        GLY  22   5.119  12.178  -6.043
  489   1HA   GLY  22          2HA       GLY  22   4.590  14.033  -4.785
  490   2HA   GLY  22          1HA       GLY  22   3.151  13.135  -4.280
  491    H    SER  23           H        SER  23   3.095  12.167  -2.332
  492    HA   SER  23           HA       SER  23   5.375  11.689  -0.628
  493   1HB   SER  23          2HB       SER  23   5.068  14.202  -0.393
  494   2HB   SER  23          1HB       SER  23   3.435  13.894   0.240
  495    HG   SER  23           HG       SER  23   4.436  12.662   1.937
  496    H    ILE  24           H        ILE  24   3.470  10.087  -1.667
  497    HA   ILE  24           HA       ILE  24   1.195   9.547  -0.056
  498    HB   ILE  24           HB       ILE  24   2.828   7.959  -2.030
  499   1HG1  ILE  24          2HG1      ILE  24   1.541   9.702  -3.043
  500   2HG1  ILE  24          1HG1      ILE  24   0.823   8.140  -3.452
  501   1HG2  ILE  24          1HG2      ILE  24   0.351   6.900  -0.645
  502   2HG2  ILE  24          3HG2      ILE  24   1.108   6.191  -2.093
  503   3HG2  ILE  24          2HG2      ILE  24   2.001   6.238  -0.559
  504   1HD1  ILE  24          2HD1      ILE  24  -0.964   8.485  -1.790
  505   2HD1  ILE  24          1HD1      ILE  24  -0.261  10.060  -1.349
  506   3HD1  ILE  24          3HD1      ILE  24  -0.920   9.805  -2.978
  507    H    ALA  25           H        ALA  25   4.496   8.384   0.095
  508    HA   ALA  25           HA       ALA  25   4.452   6.323   1.913
  509   1HB   ALA  25          1HB       ALA  25   6.404   8.676   1.821
  510   2HB   ALA  25          3HB       ALA  25   6.719   7.110   2.606
  511   3HB   ALA  25          2HB       ALA  25   6.504   7.194   0.843
  512    H    THR  26           H        THR  26   4.354   9.776   2.659
  513    HA   THR  26           HA       THR  26   4.476   9.669   5.475
  514    HB   THR  26           HB       THR  26   3.069  11.694   3.678
  515    HG1  THR  26           HG1      THR  26   5.101  12.782   3.891
  516   1HG2  THR  26          1HG2      THR  26   4.092  12.018   6.537
  517   2HG2  THR  26          3HG2      THR  26   3.432  13.314   5.512
  518   3HG2  THR  26          2HG2      THR  26   2.382  11.984   6.047
  519    H    MET  27           H        MET  27   1.635   9.801   3.342
  520    HA   MET  27           HA       MET  27  -0.364   9.826   5.344
  521   1HB   MET  27          2HB       MET  27  -0.422   8.954   2.434
  522   2HB   MET  27          1HB       MET  27  -1.864   8.947   3.459
  523   1HG   MET  27          2HG       MET  27  -1.787  10.998   2.137
  524   2HG   MET  27          1HG       MET  27  -1.613  11.376   3.856
  525   1HE   MET  27          2HE       MET  27  -0.977  13.487   1.592
  526   2HE   MET  27          1HE       MET  27  -0.763  13.810   3.330
  527   3HE   MET  27          3HE       MET  27   0.552  14.178   2.191
  528    H    ILE  28           H        ILE  28   0.949   7.110   3.488
  529    HA   ILE  28           HA       ILE  28  -0.549   4.977   4.499
  530    HB   ILE  28           HB       ILE  28   2.372   5.152   3.664
  531   1HG1  ILE  28          2HG1      ILE  28  -0.035   4.124   2.129
  532   2HG1  ILE  28          1HG1      ILE  28   0.671   5.730   1.930
  533   1HG2  ILE  28          2HG2      ILE  28   2.133   3.159   5.073
  534   2HG2  ILE  28          1HG2      ILE  28   0.737   2.619   4.112
  535   3HG2  ILE  28          3HG2      ILE  28   2.361   2.692   3.382
  536   1HD1  ILE  28          2HD1      ILE  28   2.818   4.691   1.202
  537   2HD1  ILE  28          1HD1      ILE  28   2.081   3.077   1.368
  538   3HD1  ILE  28          3HD1      ILE  28   1.459   4.218   0.159
  539    H    LYS  29           H        LYS  29   2.562   6.199   5.660
  540    HA   LYS  29           HA       LYS  29   2.829   4.479   7.896
  541   1HB   LYS  29          2HB       LYS  29   4.711   5.662   6.819
  542   2HB   LYS  29          1HB       LYS  29   4.068   7.212   7.383
  543   1HG   LYS  29          2HG       LYS  29   4.431   6.590   9.701
  544   2HG   LYS  29          1HG       LYS  29   4.896   4.944   9.252
  545   1HD   LYS  29          2HD       LYS  29   6.877   6.269   9.818
  546   2HD   LYS  29          1HD       LYS  29   6.910   5.829   8.103
  547   1HE   LYS  29          2HE       LYS  29   6.123   8.102   7.493
  548   2HE   LYS  29          1HE       LYS  29   6.061   8.548   9.215
  549   1HZ   LYS  29          2HZ       LYS  29   8.416   8.098   9.368
  550   2HZ   LYS  29          1HZ       LYS  29   8.468   7.675   7.723
  551   3HZ   LYS  29          3HZ       LYS  29   8.101   9.270   8.178
  552    H    LYS  30           H        LYS  30   1.330   7.635   7.565
  553    HA   LYS  30           HA       LYS  30   1.095   8.502  10.216
  554   1HB   LYS  30          2HB       LYS  30   0.425   9.701   8.065
  555   2HB   LYS  30          1HB       LYS  30  -1.055   8.746   8.072
  556   1HG   LYS  30          2HG       LYS  30  -0.229  10.643  10.297
  557   2HG   LYS  30          1HG       LYS  30  -1.292  11.080   8.959
  558   1HD   LYS  30          2HD       LYS  30  -2.915   9.318   9.716
  559   2HD   LYS  30          1HD       LYS  30  -1.872   9.000  11.113
  560   1HE   LYS  30          2HE       LYS  30  -3.195  11.678  10.515
  561   2HE   LYS  30          1HE       LYS  30  -3.752  10.489  11.714
  562   1HZ   LYS  30          1HZ       LYS  30  -1.106  11.821  11.695
  563   2HZ   LYS  30          3HZ       LYS  30  -2.406  12.207  12.718
  564   3HZ   LYS  30          2HZ       LYS  30  -1.647  10.692  12.842
  565    H    LYS  31           H        LYS  31  -1.195   6.560   8.336
  566    HA   LYS  31           HA       LYS  31  -2.967   5.879  10.460
  567   1HB   LYS  31          2HB       LYS  31  -2.399   4.421   7.839
  568   2HB   LYS  31          1HB       LYS  31  -3.807   4.158   8.884
  569   1HG   LYS  31          2HG       LYS  31  -4.531   6.497   8.513
  570   2HG   LYS  31          1HG       LYS  31  -3.125   6.776   7.471
  571   1HD   LYS  31          2HD       LYS  31  -3.957   4.994   5.922
  572   2HD   LYS  31          1HD       LYS  31  -5.387   4.798   6.946
  573   1HE   LYS  31          2HE       LYS  31  -4.617   7.368   5.478
  574   2HE   LYS  31          1HE       LYS  31  -5.869   6.216   4.962
  575   1HZ   LYS  31          1HZ       LYS  31  -5.836   7.703   7.521
  576   2HZ   LYS  31          3HZ       LYS  31  -6.802   8.069   6.174
  577   3HZ   LYS  31          2HZ       LYS  31  -7.036   6.612   7.018
  578    H    CYS  32           H        CYS  32  -0.266   4.125   8.972
  579    HA   CYS  32           HA       CYS  32  -0.661   1.667  10.365
  580   1HB   CYS  32          2HB       CYS  32   1.614   2.814   8.725
  581   2HB   CYS  32          1HB       CYS  32   1.712   1.212   9.476
  582    H    ASP  33           H        ASP  33   2.260   3.715  10.637
  583    HA   ASP  33           HA       ASP  33   2.227   3.780  13.515
  584   1HB   ASP  33          2HB       ASP  33   4.257   2.335  13.871
  585   2HB   ASP  33          1HB       ASP  33   2.800   1.448  13.411
  586    H    LYS  34           H        LYS  34   2.382   5.918  12.320
  587    HA   LYS  34           HA       LYS  34   5.026   6.844  11.583
  588   1HB   LYS  34          2HB       LYS  34   2.920   7.847  10.741
  589   2HB   LYS  34          1HB       LYS  34   2.515   8.387  12.375
  590   1HG   LYS  34          2HG       LYS  34   4.482   9.878  12.383
  591   2HG   LYS  34          1HG       LYS  34   4.962   9.285  10.786
  592   1HD   LYS  34          2HD       LYS  34   3.866  11.460  10.574
  593   2HD   LYS  34          1HD       LYS  34   2.865  10.211   9.820
  594   1HE   LYS  34          2HE       LYS  34   1.488  11.808  11.114
  595   2HE   LYS  34          1HE       LYS  34   1.379  10.177  11.812
  596   1HZ   LYS  34          2HZ       LYS  34   3.054  10.815  13.423
  597   2HZ   LYS  34          1HZ       LYS  34   3.134  12.373  12.755
  598   3HZ   LYS  34          3HZ       LYS  34   1.705  11.844  13.506
   
  No H/Q in entry =         598
  Start of MODEL           3
 Raw file had  604 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   1.374 -15.881  -1.132
    2   2H    GLY   1          3H        GLY   1   0.858 -17.487  -1.350
    3   3H    GLY   1          2H        GLY   1   0.180 -16.535  -0.117
    4   1HA   GLY   1          2HA       GLY   1   1.750 -18.110   0.781
    5   2HA   GLY   1          1HA       GLY   1   2.998 -17.429  -0.280
    6    H    VAL   2           H        VAL   2   3.076 -14.940  -0.126
    7    HA   VAL   2           HA       VAL   2   3.878 -14.166   2.488
    8    HB   VAL   2           HB       VAL   2   4.823 -13.228   0.437
    9   1HG1  VAL   2          2HG1      VAL   2   2.853 -13.020  -0.996
   10   2HG1  VAL   2          1HG1      VAL   2   2.204 -11.727   0.039
   11   3HG1  VAL   2          3HG1      VAL   2   3.707 -11.467  -0.867
   12   1HG2  VAL   2          1HG2      VAL   2   5.148 -12.000   2.499
   13   2HG2  VAL   2          3HG2      VAL   2   4.968 -10.862   1.146
   14   3HG2  VAL   2          2HG2      VAL   2   3.616 -11.128   2.270
   15    H    ILE   3           H        ILE   3   1.027 -13.363   0.575
   16    HA   ILE   3           HA       ILE   3  -0.546 -12.841   3.017
   17    HB   ILE   3           HB       ILE   3  -0.218 -10.944   0.664
   18   1HG1  ILE   3          2HG1      ILE   3   0.329 -10.546   3.628
   19   2HG1  ILE   3          1HG1      ILE   3   1.535 -10.717   2.347
   20   1HG2  ILE   3          2HG2      ILE   3  -2.607 -11.037   1.216
   21   2HG2  ILE   3          1HG2      ILE   3  -2.234 -10.723   2.928
   22   3HG2  ILE   3          3HG2      ILE   3  -1.926  -9.476   1.700
   23   1HD1  ILE   3          2HD1      ILE   3   0.792  -8.592   1.325
   24   2HD1  ILE   3          1HD1      ILE   3  -0.426  -8.396   2.611
   25   3HD1  ILE   3          3HD1      ILE   3   1.304  -8.367   3.013
   26    HA   PRO   4           HA       PRO   4  -3.308 -15.257   0.428
   27   1HB   PRO   4          2HB       PRO   4  -5.461 -15.404   2.061
   28   2HB   PRO   4          1HB       PRO   4  -3.896 -16.129   2.560
   29   1HG   PRO   4          1HG       PRO   4  -5.013 -13.374   3.258
   30   2HG   PRO   4          2HG       PRO   4  -4.419 -14.645   4.379
   31   1HD   PRO   4          1HD       PRO   4  -2.791 -12.614   3.539
   32   2HD   PRO   4          2HD       PRO   4  -2.156 -14.273   3.800
   33    H    LYS   5           H        LYS   5  -5.457 -15.191  -0.513
   34    HA   LYS   5           HA       LYS   5  -6.105 -12.836  -1.887
   35   1HB   LYS   5          2HB       LYS   5  -6.768 -15.065  -2.665
   36   2HB   LYS   5          1HB       LYS   5  -7.855 -15.258  -1.281
   37   1HG   LYS   5          2HG       LYS   5  -9.256 -13.394  -2.084
   38   2HG   LYS   5          1HG       LYS   5  -8.151 -13.117  -3.437
   39   1HD   LYS   5          2HD       LYS   5  -9.719 -15.693  -2.991
   40   2HD   LYS   5          1HD       LYS   5 -10.255 -14.371  -4.038
   41   1HE   LYS   5          2HE       LYS   5  -8.195 -14.664  -5.433
   42   2HE   LYS   5          1HE       LYS   5  -7.714 -16.031  -4.401
   43   1HZ   LYS   5          1HZ       LYS   5 -10.219 -15.833  -5.969
   44   2HZ   LYS   5          3HZ       LYS   5  -8.859 -16.768  -6.373
   45   3HZ   LYS   5          2HZ       LYS   5  -9.761 -17.138  -4.983
   46    H    LYS   6           H        LYS   6  -7.542 -14.207   1.038
   47    HA   LYS   6           HA       LYS   6  -9.741 -12.576   1.466
   48   1HB   LYS   6          2HB       LYS   6  -9.162 -14.522   2.864
   49   2HB   LYS   6          1HB       LYS   6  -7.773 -13.653   3.527
   50   1HG   LYS   6          2HG       LYS   6  -9.698 -13.668   5.091
   51   2HG   LYS   6          1HG       LYS   6  -9.231 -12.030   4.623
   52   1HD   LYS   6          2HD       LYS   6 -11.677 -12.267   4.677
   53   2HD   LYS   6          1HD       LYS   6 -11.121 -11.916   3.037
   54   1HE   LYS   6          2HE       LYS   6 -11.341 -14.335   2.453
   55   2HE   LYS   6          1HE       LYS   6 -11.915 -14.671   4.105
   56   1HZ   LYS   6          2HZ       LYS   6 -13.741 -13.157   3.726
   57   2HZ   LYS   6          1HZ       LYS   6 -13.189 -12.843   2.151
   58   3HZ   LYS   6          3HZ       LYS   6 -13.735 -14.398   2.566
   59    H    ILE   7           H        ILE   7  -6.436 -11.981   2.662
   60    HA   ILE   7           HA       ILE   7  -6.922  -9.420   3.773
   61    HB   ILE   7           HB       ILE   7  -4.387 -10.684   2.710
   62   1HG1  ILE   7          2HG1      ILE   7  -5.356 -11.877   4.608
   63   2HG1  ILE   7          1HG1      ILE   7  -3.817 -11.122   5.038
   64   1HG2  ILE   7          1HG2      ILE   7  -4.627  -8.119   4.337
   65   2HG2  ILE   7          3HG2      ILE   7  -3.109  -8.986   4.010
   66   3HG2  ILE   7          2HG2      ILE   7  -4.030  -8.270   2.669
   67   1HD1  ILE   7          1HD1      ILE   7  -6.590 -10.054   5.757
   68   2HD1  ILE   7          3HD1      ILE   7  -5.467 -10.881   6.857
   69   3HD1  ILE   7          2HD1      ILE   7  -5.044  -9.287   6.195
   70    H    TRP   8           H        TRP   8  -5.654 -10.317   0.564
   71    HA   TRP   8           HA       TRP   8  -5.132  -7.768  -0.441
   72   1HB   TRP   8          2HB       TRP   8  -5.994 -10.315  -1.864
   73   2HB   TRP   8          1HB       TRP   8  -5.512  -8.840  -2.731
   74    HD1  TRP   8          1HD       TRP   8  -3.899 -11.987  -1.894
   75    HE1  TRP   8          1HE       TRP   8  -1.413 -11.803  -1.525
   76    HE3  TRP   8          3HE       TRP   8  -3.588  -6.903  -1.337
   77    HZ2  TRP   8          2HZ       TRP   8   0.465  -9.742  -1.043
   78    HZ3  TRP   8          3HZ       TRP   8  -1.380  -5.874  -0.949
   79    HH2  TRP   8          2HH       TRP   8   0.644  -7.290  -0.797
   80    H    GLU   9           H        GLU   9  -8.187  -9.515  -0.474
   81    HA   GLU   9           HA       GLU   9  -9.712  -7.673  -2.025
   82   1HB   GLU   9          2HB       GLU   9 -10.536  -9.669   0.129
   83   2HB   GLU   9          1HB       GLU   9 -11.673  -8.815  -0.927
   84   1HG   GLU   9          2HG       GLU   9 -10.761  -9.882  -2.907
   85   2HG   GLU   9          1HG       GLU   9  -9.434 -10.597  -1.982
   86    H    THR  10           H        THR  10  -9.299  -8.071   1.467
   87    HA   THR  10           HA       THR  10 -11.085  -6.042   2.324
   88    HB   THR  10           HB       THR  10  -8.648  -7.221   3.724
   89    HG1  THR  10           HG1      THR  10 -10.284  -8.730   3.063
   90   1HG2  THR  10          1HG2      THR  10 -11.073  -5.785   4.906
   91   2HG2  THR  10          3HG2      THR  10  -9.799  -6.610   5.835
   92   3HG2  THR  10          2HG2      THR  10  -9.402  -5.169   4.877
   93    H    VAL  11           H        VAL  11  -7.611  -5.960   1.683
   94    HA   VAL  11           HA       VAL  11  -7.183  -3.304   2.687
   95    HB   VAL  11           HB       VAL  11  -4.971  -3.427   1.720
   96   1HG1  VAL  11          1HG1      VAL  11  -5.758  -5.976   3.171
   97   2HG1  VAL  11          3HG1      VAL  11  -4.095  -5.382   2.965
   98   3HG1  VAL  11          2HG1      VAL  11  -5.272  -4.431   3.897
   99   1HG2  VAL  11          2HG2      VAL  11  -5.794  -6.055   0.461
  100   2HG2  VAL  11          1HG2      VAL  11  -5.372  -4.557  -0.399
  101   3HG2  VAL  11          3HG2      VAL  11  -4.134  -5.425   0.534
  102    H    CYS  12           H        CYS  12  -7.939  -4.600  -0.472
  103    HA   CYS  12           HA       CYS  12  -7.193  -3.040  -2.426
  104   1HB   CYS  12          2HB       CYS  12  -9.970  -3.983  -1.798
  105   2HB   CYS  12          1HB       CYS  12  -9.735  -2.935  -3.191
  106    HA   PRO  13           HA       PRO  13 -10.054   0.804  -1.939
  107   1HB   PRO  13          2HB       PRO  13 -11.410   1.201   0.424
  108   2HB   PRO  13          1HB       PRO  13 -12.081   0.249  -0.941
  109   1HG   PRO  13          1HG       PRO  13 -10.589  -0.766   1.524
  110   2HG   PRO  13          2HG       PRO  13 -12.163  -1.316   0.859
  111   1HD   PRO  13          1HD       PRO  13  -9.911  -2.660   0.246
  112   2HD   PRO  13          2HD       PRO  13 -11.145  -2.356  -1.021
  113    H    THR  14           H        THR  14  -8.778  -0.150   1.232
  114    HA   THR  14           HA       THR  14  -7.920   2.358   2.187
  115    HB   THR  14           HB       THR  14  -6.687  -0.389   2.712
  116    HG1  THR  14           HG1      THR  14  -8.193  -0.406   4.450
  117   1HG2  THR  14          2HG2      THR  14  -5.284   1.463   3.585
  118   2HG2  THR  14          1HG2      THR  14  -6.694   2.131   4.437
  119   3HG2  THR  14          3HG2      THR  14  -6.036   0.548   4.908
  120    H    VAL  15           H        VAL  15  -6.087  -0.154   0.470
  121    HA   VAL  15           HA       VAL  15  -3.740   1.542   0.161
  122    HB   VAL  15           HB       VAL  15  -2.699  -0.372  -0.861
  123   1HG1  VAL  15          2HG1      VAL  15  -2.746  -0.348   1.568
  124   2HG1  VAL  15          1HG1      VAL  15  -4.313  -1.191   1.582
  125   3HG1  VAL  15          3HG1      VAL  15  -2.861  -2.021   0.975
  126   1HG2  VAL  15          2HG2      VAL  15  -5.406  -1.758  -0.826
  127   2HG2  VAL  15          1HG2      VAL  15  -4.492  -1.249  -2.263
  128   3HG2  VAL  15          3HG2      VAL  15  -3.855  -2.532  -1.213
  129    H    GLU  16           H        GLU  16  -6.577   1.548  -1.455
  130    HA   GLU  16           HA       GLU  16  -5.894   1.522  -4.189
  131   1HB   GLU  16          2HB       GLU  16  -8.211   1.496  -3.360
  132   2HB   GLU  16          1HB       GLU  16  -8.055   3.152  -2.789
  133   1HG   GLU  16          2HG       GLU  16  -7.828   2.319  -5.712
  134   2HG   GLU  16          1HG       GLU  16  -9.316   2.904  -4.950
  135    HA   PRO  17           HA       PRO  17  -5.245   6.321  -4.057
  136   1HB   PRO  17          2HB       PRO  17  -4.656   7.487  -1.624
  137   2HB   PRO  17          1HB       PRO  17  -6.323   7.333  -2.268
  138   1HG   PRO  17          1HG       PRO  17  -4.858   5.474  -0.339
  139   2HG   PRO  17          2HG       PRO  17  -6.485   6.213  -0.165
  140   1HD   PRO  17          1HD       PRO  17  -6.277   3.707  -1.087
  141   2HD   PRO  17          2HD       PRO  17  -7.422   4.845  -1.874
  142    H    TRP  18           H        TRP  18  -3.450   4.573  -1.517
  143    HA   TRP  18           HA       TRP  18  -0.955   5.874  -1.895
  144   1HB   TRP  18          2HB       TRP  18  -1.441   3.046  -0.864
  145   2HB   TRP  18          1HB       TRP  18   0.072   3.957  -0.714
  146    HD1  TRP  18          1HD       TRP  18  -1.144   6.857   0.300
  147    HE1  TRP  18          1HE       TRP  18  -2.006   7.063   2.649
  148    HE3  TRP  18          3HE       TRP  18  -2.077   1.909   1.189
  149    HZ2  TRP  18          2HZ       TRP  18  -2.992   5.332   4.656
  150    HZ3  TRP  18          3HZ       TRP  18  -3.011   1.239   3.380
  151    HH2  TRP  18          2HH       TRP  18  -3.462   2.947   5.112
  152    H    ALA  19           H        ALA  19  -1.905   2.621  -2.951
  153    HA   ALA  19           HA       ALA  19   0.339   1.984  -4.492
  154   1HB   ALA  19          2HB       ALA  19  -1.356   0.325  -3.819
  155   2HB   ALA  19          1HB       ALA  19  -2.550   1.082  -4.901
  156   3HB   ALA  19          3HB       ALA  19  -1.112   0.285  -5.580
  157    H    LYS  20           H        LYS  20  -2.693   3.476  -5.528
  158    HA   LYS  20           HA       LYS  20  -2.282   3.717  -8.289
  159   1HB   LYS  20          2HB       LYS  20  -4.413   4.235  -7.218
  160   2HB   LYS  20          1HB       LYS  20  -3.689   5.578  -6.321
  161   1HG   LYS  20          2HG       LYS  20  -3.280   6.778  -8.470
  162   2HG   LYS  20          1HG       LYS  20  -4.028   5.432  -9.351
  163   1HD   LYS  20          2HD       LYS  20  -6.171   5.850  -8.241
  164   2HD   LYS  20          1HD       LYS  20  -5.444   7.122  -7.240
  165   1HE   LYS  20          2HE       LYS  20  -4.994   8.458  -9.302
  166   2HE   LYS  20          1HE       LYS  20  -5.751   7.180 -10.283
  167   1HZ   LYS  20          2HZ       LYS  20  -7.785   7.495  -9.052
  168   2HZ   LYS  20          1HZ       LYS  20  -7.065   8.715  -8.115
  169   3HZ   LYS  20          3HZ       LYS  20  -7.294   8.949  -9.782
  170    H    LYS  21           H        LYS  21  -1.597   6.127  -5.778
  171    HA   LYS  21           HA       LYS  21   0.099   7.721  -7.575
  172   1HB   LYS  21          2HB       LYS  21  -0.784   8.093  -4.684
  173   2HB   LYS  21          1HB       LYS  21   0.210   9.253  -5.586
  174   1HG   LYS  21          2HG       LYS  21  -1.624   9.592  -7.198
  175   2HG   LYS  21          1HG       LYS  21  -2.602   8.368  -6.375
  176   1HD   LYS  21          2HD       LYS  21  -3.319  10.643  -5.754
  177   2HD   LYS  21          1HD       LYS  21  -2.712   9.752  -4.353
  178   1HE   LYS  21          2HE       LYS  21  -1.927  12.100  -4.329
  179   2HE   LYS  21          1HE       LYS  21  -0.556  10.980  -4.486
  180   1HZ   LYS  21          2HZ       LYS  21  -0.581  11.351  -6.857
  181   2HZ   LYS  21          1HZ       LYS  21  -1.884  12.429  -6.704
  182   3HZ   LYS  21          3HZ       LYS  21  -0.378  12.814  -6.019
  183    H    CYS  22           H        CYS  22   1.317   5.407  -7.454
  184    HA   CYS  22           HA       CYS  22   3.791   5.981  -5.983
  185   1HB   CYS  22          2HB       CYS  22   2.285   4.583  -4.458
  186   2HB   CYS  22          1HB       CYS  22   2.424   3.272  -5.645
  187    H    SER  23           H        SER  23   5.445   4.256  -6.465
  188    HA   SER  23           HA       SER  23   5.190   2.996  -9.129
  189   1HB   SER  23          2HB       SER  23   7.345   5.030  -8.362
  190   2HB   SER  23          1HB       SER  23   7.346   4.055  -9.849
  191    HG   SER  23           HG       SER  23   5.333   5.933  -9.073
  192    H    GLY  24           H        GLY  24   7.430   1.994  -9.657
  193   1HA   GLY  24          2HA       GLY  24   9.244   0.620  -9.076
  194   2HA   GLY  24          1HA       GLY  24   8.850   0.838  -7.364
  195    H    ASP  25           H        ASP  25   9.537  -1.504  -7.859
  196    HA   ASP  25           HA       ASP  25   7.862  -3.390  -9.112
  197   1HB   ASP  25          2HB       ASP  25   9.880  -3.747  -6.852
  198   2HB   ASP  25          1HB       ASP  25   9.128  -5.082  -7.741
  199    H    ILE  26           H        ILE  26   8.045  -2.408  -5.717
  200    HA   ILE  26           HA       ILE  26   6.245  -4.317  -4.644
  201    HB   ILE  26           HB       ILE  26   6.746  -1.500  -3.629
  202   1HG1  ILE  26          2HG1      ILE  26   8.908  -2.572  -3.952
  203   2HG1  ILE  26          1HG1      ILE  26   8.545  -2.400  -2.236
  204   1HG2  ILE  26          1HG2      ILE  26   5.835  -4.020  -2.179
  205   2HG2  ILE  26          3HG2      ILE  26   6.228  -2.475  -1.399
  206   3HG2  ILE  26          2HG2      ILE  26   4.853  -2.582  -2.519
  207   1HD1  ILE  26          1HD1      ILE  26   8.273  -4.978  -3.856
  208   2HD1  ILE  26          3HD1      ILE  26   9.576  -4.594  -2.708
  209   3HD1  ILE  26          2HD1      ILE  26   7.913  -4.807  -2.121
  210    H    ALA  27           H        ALA  27   5.692  -0.957  -5.674
  211    HA   ALA  27           HA       ALA  27   2.946  -0.723  -5.165
  212   1HB   ALA  27          2HB       ALA  27   4.365   1.181  -5.855
  213   2HB   ALA  27          1HB       ALA  27   4.554   0.472  -7.475
  214   3HB   ALA  27          3HB       ALA  27   2.956   1.034  -6.928
  215    H    THR  28           H        THR  28   4.585  -1.877  -8.076
  216    HA   THR  28           HA       THR  28   2.349  -2.441  -9.703
  217    HB   THR  28           HB       THR  28   5.077  -3.807  -9.614
  218    HG1  THR  28           HG1      THR  28   5.540  -2.247 -11.255
  219   1HG2  THR  28          1HG2      THR  28   3.058  -3.671 -11.899
  220   2HG2  THR  28          3HG2      THR  28   4.701  -4.347 -11.997
  221   3HG2  THR  28          2HG2      THR  28   3.478  -5.130 -10.972
  222    H    TYR  29           H        TYR  29   4.066  -4.463  -7.359
  223    HA   TYR  29           HA       TYR  29   2.774  -6.930  -7.875
  224   1HB   TYR  29          2HB       TYR  29   4.861  -6.776  -6.606
  225   2HB   TYR  29          1HB       TYR  29   4.055  -5.874  -5.321
  226    HD1  TYR  29          1HD       TYR  29   2.103  -7.069  -4.060
  227    HD2  TYR  29          2HD       TYR  29   4.993  -9.116  -6.492
  228    HE1  TYR  29          1HE       TYR  29   1.515  -9.197  -2.967
  229    HE2  TYR  29          2HE       TYR  29   4.404 -11.247  -5.387
  230    HH   TYR  29           HH       TYR  29   1.855 -11.409  -2.890
  231    H    ILE  30           H        ILE  30   2.159  -4.570  -5.292
  232    HA   ILE  30           HA       ILE  30  -0.093  -5.701  -4.095
  233    HB   ILE  30           HB       ILE  30   0.647  -2.777  -4.516
  234   1HG1  ILE  30          2HG1      ILE  30   1.093  -4.494  -2.048
  235   2HG1  ILE  30          1HG1      ILE  30   2.313  -4.289  -3.308
  236   1HG2  ILE  30          1HG2      ILE  30  -1.343  -3.951  -2.524
  237   2HG2  ILE  30          3HG2      ILE  30  -0.787  -2.262  -2.551
  238   3HG2  ILE  30          2HG2      ILE  30  -1.730  -2.903  -3.909
  239   1HD1  ILE  30          1HD1      ILE  30   1.096  -2.040  -1.634
  240   2HD1  ILE  30          3HD1      ILE  30   2.724  -2.726  -1.438
  241   3HD1  ILE  30          2HD1      ILE  30   2.314  -1.841  -2.920
  242    H    LYS  31           H        LYS  31   0.098  -3.490  -6.835
  243    HA   LYS  31           HA       LYS  31  -2.628  -3.003  -7.321
  244   1HB   LYS  31          2HB       LYS  31  -0.534  -1.917  -8.381
  245   2HB   LYS  31          1HB       LYS  31  -0.492  -3.302  -9.472
  246   1HG   LYS  31          2HG       LYS  31  -1.603  -1.480 -10.600
  247   2HG   LYS  31          1HG       LYS  31  -2.796  -2.741 -10.257
  248   1HD   LYS  31          2HD       LYS  31  -3.739  -0.517  -9.818
  249   2HD   LYS  31          1HD       LYS  31  -3.629  -1.443  -8.314
  250   1HE   LYS  31          2HE       LYS  31  -1.546  -0.199  -7.708
  251   2HE   LYS  31          1HE       LYS  31  -1.677   0.734  -9.217
  252   1HZ   LYS  31          2HZ       LYS  31  -3.815   1.540  -8.480
  253   2HZ   LYS  31          1HZ       LYS  31  -3.688   0.646  -7.041
  254   3HZ   LYS  31          3HZ       LYS  31  -2.604   1.917  -7.350
  255    H    ARG  32           H        ARG  32  -0.508  -5.563  -8.525
  256    HA   ARG  32           HA       ARG  32  -2.317  -6.935 -10.216
  257   1HB   ARG  32          2HB       ARG  32   0.145  -7.293 -10.188
  258   2HB   ARG  32          1HB       ARG  32   0.021  -8.039  -8.592
  259   1HG   ARG  32          2HG       ARG  32   0.241  -9.780 -10.239
  260   2HG   ARG  32          1HG       ARG  32  -1.382  -9.853  -9.544
  261   1HD   ARG  32          2HD       ARG  32  -2.314  -8.737 -11.548
  262   2HD   ARG  32          1HD       ARG  32  -0.677  -8.584 -12.234
  263    HE   ARG  32           HE       ARG  32  -1.256 -11.319 -11.572
  264   1HH1  ARG  32          2HH2      ARG  32  -1.990  -8.808 -13.916
  265   2HH1  ARG  32          1HH2      ARG  32  -2.293  -9.931 -15.199
  266   1HH2  ARG  32          2HH1      ARG  32  -1.643 -12.773 -13.271
  267   2HH2  ARG  32          1HH1      ARG  32  -2.097 -12.178 -14.831
  268    H    GLU  33           H        GLU  33  -1.589  -7.334  -6.761
  269    HA   GLU  33           HA       GLU  33  -3.011  -9.731  -6.299
  270   1HB   GLU  33          2HB       GLU  33  -2.597  -7.463  -4.306
  271   2HB   GLU  33          1HB       GLU  33  -2.954  -9.153  -3.942
  272   1HG   GLU  33          2HG       GLU  33  -0.385  -8.105  -5.185
  273   2HG   GLU  33          1HG       GLU  33  -0.591  -8.634  -3.524
  274    H    CYS  34           H        CYS  34  -4.043  -6.402  -5.544
  275    HA   CYS  34           HA       CYS  34  -6.713  -7.070  -4.817
  276   1HB   CYS  34          2HB       CYS  34  -5.738  -4.968  -4.083
  277   2HB   CYS  34          1HB       CYS  34  -5.488  -4.440  -5.760
  278    H    GLY  35           H        GLY  35  -5.432  -5.615  -7.797
  279   1HA   GLY  35          2HA       GLY  35  -7.888  -5.329  -9.173
  280   2HA   GLY  35          1HA       GLY  35  -6.287  -5.340  -9.928
  281    H    LYS  36           H        LYS  36  -5.286  -7.541 -10.150
  282    HA   LYS  36           HA       LYS  36  -7.086  -9.367 -11.488
  283   1HB   LYS  36          2HB       LYS  36  -4.721  -8.917 -12.192
  284   2HB   LYS  36          1HB       LYS  36  -4.160  -9.773 -10.764
  285   1HG   LYS  36          2HG       LYS  36  -5.964 -11.028 -12.873
  286   2HG   LYS  36          1HG       LYS  36  -4.214 -11.062 -12.999
  287   1HD   LYS  36          2HD       LYS  36  -5.761 -12.317 -10.688
  288   2HD   LYS  36          1HD       LYS  36  -5.311 -13.167 -12.154
  289   1HE   LYS  36          2HE       LYS  36  -3.745 -13.699 -10.353
  290   2HE   LYS  36          1HE       LYS  36  -2.914 -12.845 -11.665
  291   1HZ   LYS  36          1HZ       LYS  36  -3.894 -11.602  -9.162
  292   2HZ   LYS  36          3HZ       LYS  36  -2.287 -12.047  -9.482
  293   3HZ   LYS  36          2HZ       LYS  36  -3.025 -10.831 -10.404
  294    H    LEU  37           H        LEU  37  -8.535 -10.150 -10.125
  295    HA   LEU  37           HA       LEU  37  -7.814 -12.186  -8.192
  296   1HB   LEU  37          2HB       LEU  37  -7.461  -9.917  -7.034
  297   2HB   LEU  37          1HB       LEU  37  -9.201  -9.693  -7.113
  298    HG   LEU  37           HG       LEU  37  -7.824 -12.018  -5.719
  299   1HD1  LEU  37          2HD1      LEU  37  -7.246  -9.911  -4.607
  300   2HD1  LEU  37          1HD1      LEU  37  -8.964  -9.461  -4.516
  301   3HD1  LEU  37          3HD1      LEU  37  -8.353 -10.862  -3.601
  302   1HD2  LEU  37          2HD2      LEU  37 -10.727 -11.103  -5.611
  303   2HD2  LEU  37          1HD2      LEU  37 -10.117 -12.612  -6.331
  304   3HD2  LEU  37          3HD2      LEU  37 -10.009 -12.357  -4.579
  305   1H    TRP   1          1H        TRP   1 -11.226   1.644   9.611
  306   2H    TRP   1          3H        TRP   1 -12.478   1.623   8.461
  307   3H    TRP   1          2H        TRP   1 -12.668   0.811   9.941
  308    HA   TRP   1           HA       TRP   1 -12.231  -0.741   8.178
  309   1HB   TRP   1          2HB       TRP   1 -10.974   0.966   6.799
  310   2HB   TRP   1          1HB       TRP   1  -9.599   0.798   7.909
  311    HD1  TRP   1          1HD       TRP   1 -11.843  -1.840   5.897
  312    HE1  TRP   1          1HE       TRP   1 -10.320  -3.532   4.814
  313    HE3  TRP   1          3HE       TRP   1  -7.380   0.034   7.527
  314    HZ2  TRP   1          2HZ       TRP   1  -7.530  -4.040   4.702
  315    HZ3  TRP   1          3HZ       TRP   1  -5.282  -1.076   6.830
  316    HH2  TRP   1          2HH       TRP   1  -5.358  -3.130   5.464
  317    H    SER   2           H        SER   2 -10.547  -2.507   8.367
  318    HA   SER   2           HA       SER   2 -10.390  -3.240  11.123
  319   1HB   SER   2          2HB       SER   2 -10.754  -4.886   9.324
  320   2HB   SER   2          1HB       SER   2  -9.137  -4.548   8.667
  321    HG   SER   2           HG       SER   2  -9.218  -6.413  10.099
  322    H    THR   3           H        THR   3  -8.833  -3.264  12.523
  323    HA   THR   3           HA       THR   3  -6.379  -1.772  12.135
  324    HB   THR   3           HB       THR   3  -7.373  -3.433  14.494
  325    HG1  THR   3           HG1      THR   3  -7.485  -0.632  13.952
  326   1HG2  THR   3          1HG2      THR   3  -5.160  -1.328  14.400
  327   2HG2  THR   3          3HG2      THR   3  -5.779  -2.123  15.865
  328   3HG2  THR   3          2HG2      THR   3  -4.918  -3.074  14.635
  329    H    ILE   4           H        ILE   4  -7.187  -5.149  12.873
  330    HA   ILE   4           HA       ILE   4  -4.581  -6.206  13.009
  331    HB   ILE   4           HB       ILE   4  -7.155  -7.553  12.110
  332   1HG1  ILE   4          2HG1      ILE   4  -7.482  -6.578  14.293
  333   2HG1  ILE   4          1HG1      ILE   4  -7.375  -8.333  14.439
  334   1HG2  ILE   4          1HG2      ILE   4  -4.585  -8.829  13.126
  335   2HG2  ILE   4          3HG2      ILE   4  -6.121  -9.683  12.845
  336   3HG2  ILE   4          2HG2      ILE   4  -5.255  -8.945  11.482
  337   1HD1  ILE   4          2HD1      ILE   4  -5.024  -8.132  15.236
  338   2HD1  ILE   4          1HD1      ILE   4  -5.134  -6.361  15.093
  339   3HD1  ILE   4          3HD1      ILE   4  -6.149  -7.222  16.269
  340    H    VAL   5           H        VAL   5  -6.842  -6.217  10.262
  341    HA   VAL   5           HA       VAL   5  -5.136  -7.378   8.340
  342    HB   VAL   5           HB       VAL   5  -7.396  -5.389   7.931
  343   1HG1  VAL   5          1HG1      VAL   5  -6.094  -7.277   5.922
  344   2HG1  VAL   5          3HG1      VAL   5  -7.551  -6.303   5.628
  345   3HG1  VAL   5          2HG1      VAL   5  -5.994  -5.503   5.910
  346   1HG2  VAL   5          1HG2      VAL   5  -8.116  -7.431   9.127
  347   2HG2  VAL   5          3HG2      VAL   5  -8.783  -7.395   7.480
  348   3HG2  VAL   5          2HG2      VAL   5  -7.393  -8.438   7.856
  349    H    LYS   6           H        LYS   6  -5.574  -3.974   9.253
  350    HA   LYS   6           HA       LYS   6  -3.958  -2.742   7.316
  351   1HB   LYS   6          2HB       LYS   6  -5.336  -1.496   8.979
  352   2HB   LYS   6          1HB       LYS   6  -4.201  -1.956  10.254
  353   1HG   LYS   6          2HG       LYS   6  -2.386  -0.733   9.152
  354   2HG   LYS   6          1HG       LYS   6  -3.445  -0.321   7.797
  355   1HD   LYS   6          2HD       LYS   6  -3.823   0.583  10.689
  356   2HD   LYS   6          1HD       LYS   6  -3.135   1.565   9.388
  357   1HE   LYS   6          2HE       LYS   6  -5.995   0.491   9.453
  358   2HE   LYS   6          1HE       LYS   6  -5.499   2.158   9.817
  359   1HZ   LYS   6          2HZ       LYS   6  -4.614   2.346   7.599
  360   2HZ   LYS   6          1HZ       LYS   6  -5.076   0.751   7.247
  361   3HZ   LYS   6          3HZ       LYS   6  -6.260   1.929   7.552
  362    H    LEU   7           H        LEU   7  -2.977  -3.826  10.558
  363    HA   LEU   7           HA       LEU   7  -0.247  -3.316  10.463
  364   1HB   LEU   7          2HB       LEU   7  -1.711  -5.620  11.818
  365   2HB   LEU   7          1HB       LEU   7  -0.037  -5.158  12.155
  366    HG   LEU   7           HG       LEU   7  -2.448  -3.345  12.545
  367   1HD1  LEU   7          1HD1      LEU   7  -0.854  -4.906  14.616
  368   2HD1  LEU   7          3HD1      LEU   7  -2.119  -3.707  14.973
  369   3HD1  LEU   7          2HD1      LEU   7  -2.536  -5.214  14.126
  370   1HD2  LEU   7          2HD2      LEU   7   0.451  -2.958  13.383
  371   2HD2  LEU   7          1HD2      LEU   7  -0.415  -2.051  12.119
  372   3HD2  LEU   7          3HD2      LEU   7  -0.905  -1.893  13.818
  373    H    THR   8           H        THR   8  -1.959  -6.189   9.328
  374    HA   THR   8           HA       THR   8   0.221  -7.837   8.657
  375    HB   THR   8           HB       THR   8  -2.510  -7.619   7.313
  376    HG1  THR   8           HG1      THR   8  -2.541  -8.050   9.584
  377   1HG2  THR   8          1HG2      THR   8  -0.548  -9.957   7.318
  378   2HG2  THR   8          3HG2      THR   8  -2.199  -9.978   6.653
  379   3HG2  THR   8          2HG2      THR   8  -0.957  -8.946   5.910
  380    H    ILE   9           H        ILE   9  -1.574  -5.544   6.609
  381    HA   ILE   9           HA       ILE   9   0.142  -5.993   4.327
  382    HB   ILE   9           HB       ILE   9  -2.240  -5.530   4.074
  383   1HG1  ILE   9          2HG1      ILE   9  -2.145  -3.900   2.227
  384   2HG1  ILE   9          1HG1      ILE   9  -0.522  -3.420   2.728
  385   1HG2  ILE   9          1HG2      ILE   9  -1.637  -2.717   5.052
  386   2HG2  ILE   9          3HG2      ILE   9  -3.153  -3.234   4.276
  387   3HG2  ILE   9          2HG2      ILE   9  -2.677  -3.932   5.835
  388   1HD1  ILE   9          1HD1      ILE   9  -1.345  -6.202   1.769
  389   2HD1  ILE   9          3HD1      ILE   9  -0.432  -4.995   0.830
  390   3HD1  ILE   9          2HD1      ILE   9   0.298  -5.733   2.271
  391    H    CYS  10           H        CYS  10   0.327  -3.857   7.016
  392    HA   CYS  10           HA       CYS  10   1.314  -1.488   5.983
  393   1HB   CYS  10          2HB       CYS  10   2.182  -2.797   8.579
  394   2HB   CYS  10          1HB       CYS  10   2.521  -1.122   8.117
  395    HA   PRO  11           HA       PRO  11   5.945  -3.028   6.296
  396   1HB   PRO  11          2HB       PRO  11   6.291  -5.734   5.721
  397   2HB   PRO  11          1HB       PRO  11   6.240  -5.043   7.373
  398   1HG   PRO  11          1HG       PRO  11   3.965  -6.274   5.759
  399   2HG   PRO  11          2HG       PRO  11   4.458  -6.617   7.453
  400   1HD   PRO  11          1HD       PRO  11   2.431  -4.946   7.013
  401   2HD   PRO  11          2HD       PRO  11   3.670  -4.485   8.224
  402    H    THR  12           H        THR  12   3.770  -4.841   4.158
  403    HA   THR  12           HA       THR  12   5.300  -4.788   1.775
  404    HB   THR  12           HB       THR  12   2.258  -4.622   2.012
  405    HG1  THR  12           HG1      THR  12   3.999  -6.889   2.036
  406   1HG2  THR  12          2HG2      THR  12   3.094  -4.307  -0.299
  407   2HG2  THR  12          1HG2      THR  12   4.023  -5.818  -0.171
  408   3HG2  THR  12          3HG2      THR  12   2.244  -5.859  -0.122
  409    H    LEU  13           H        LEU  13   2.870  -2.543   3.031
  410    HA   LEU  13           HA       LEU  13   2.964  -0.611   0.947
  411   1HB   LEU  13          2HB       LEU  13   2.177  -0.244   3.872
  412   2HB   LEU  13          1HB       LEU  13   1.815   0.871   2.548
  413    HG   LEU  13           HG       LEU  13   0.842  -1.995   2.687
  414   1HD1  LEU  13          2HD1      LEU  13  -0.186  -0.684   4.482
  415   2HD1  LEU  13          1HD1      LEU  13  -0.654   0.579   3.320
  416   3HD1  LEU  13          3HD1      LEU  13  -1.386  -1.040   3.219
  417   1HD2  LEU  13          1HD2      LEU  13   1.010  -1.188   0.379
  418   2HD2  LEU  13          3HD2      LEU  13  -0.691  -1.351   0.856
  419   3HD2  LEU  13          2HD2      LEU  13   0.062   0.259   0.796
  420    H    LYS  14           H        LYS  14   4.971  -1.058   3.785
  421    HA   LYS  14           HA       LYS  14   6.217   1.522   3.843
  422   1HB   LYS  14          2HB       LYS  14   7.179  -1.208   4.801
  423   2HB   LYS  14          1HB       LYS  14   8.065   0.293   5.072
  424   1HG   LYS  14          2HG       LYS  14   5.224  -0.186   6.055
  425   2HG   LYS  14          1HG       LYS  14   6.670  -0.496   7.024
  426   1HD   LYS  14          2HD       LYS  14   7.290   1.913   6.820
  427   2HD   LYS  14          1HD       LYS  14   5.810   2.204   5.888
  428   1HE   LYS  14          2HE       LYS  14   4.421   1.569   7.814
  429   2HE   LYS  14          1HE       LYS  14   5.873   1.155   8.757
  430   1HZ   LYS  14          1HZ       LYS  14   5.223   3.829   7.660
  431   2HZ   LYS  14          3HZ       LYS  14   5.059   3.351   9.281
  432   3HZ   LYS  14          2HZ       LYS  14   6.600   3.428   8.571
  433    H    SER  15           H        SER  15   7.158  -1.583   2.427
  434    HA   SER  15           HA       SER  15   9.534  -0.818   1.116
  435   1HB   SER  15          2HB       SER  15   7.471  -2.900   0.247
  436   2HB   SER  15          1HB       SER  15   9.159  -2.806  -0.306
  437    HG   SER  15           HG       SER  15   8.314  -3.177   2.400
  438    H    MET  16           H        MET  16   6.178  -0.751   0.040
  439    HA   MET  16           HA       MET  16   6.518   0.215  -2.603
  440   1HB   MET  16          2HB       MET  16   4.406  -0.760  -1.642
  441   2HB   MET  16          1HB       MET  16   4.206   0.702  -0.670
  442   1HG   MET  16          2HG       MET  16   4.022   2.066  -2.690
  443   2HG   MET  16          1HG       MET  16   4.289   0.644  -3.715
  444   1HE   MET  16          2HE       MET  16   2.083   1.182  -0.430
  445   2HE   MET  16          1HE       MET  16   1.839   2.643  -1.421
  446   3HE   MET  16          3HE       MET  16   0.497   1.502  -1.172
  447    H    ALA  17           H        ALA  17   6.106   1.860   0.468
  448    HA   ALA  17           HA       ALA  17   5.671   4.512  -0.346
  449   1HB   ALA  17          1HB       ALA  17   7.043   3.469   2.172
  450   2HB   ALA  17          3HB       ALA  17   6.424   5.112   1.948
  451   3HB   ALA  17          2HB       ALA  17   5.298   3.737   1.957
  452    H    LYS  18           H        LYS  18   8.647   2.718   0.042
  453    HA   LYS  18           HA       LYS  18  10.631   4.607   0.223
  454   1HB   LYS  18          2HB       LYS  18  10.662   2.110  -1.526
  455   2HB   LYS  18          1HB       LYS  18  12.085   3.039  -1.021
  456   1HG   LYS  18          2HG       LYS  18  11.594   2.531   1.351
  457   2HG   LYS  18          1HG       LYS  18  10.133   1.659   0.877
  458   1HD   LYS  18          2HD       LYS  18  11.725  -0.017   1.343
  459   2HD   LYS  18          1HD       LYS  18  11.627   0.056  -0.419
  460   1HE   LYS  18          2HE       LYS  18  13.826   1.370   1.244
  461   2HE   LYS  18          1HE       LYS  18  13.965  -0.213   0.454
  462   1HZ   LYS  18          2HZ       LYS  18  13.550   0.878  -1.662
  463   2HZ   LYS  18          1HZ       LYS  18  13.499   2.387  -0.883
  464   3HZ   LYS  18          3HZ       LYS  18  14.935   1.487  -0.890
  465    H    LYS  19           H        LYS  19   8.922   3.670  -2.737
  466    HA   LYS  19           HA       LYS  19   9.908   6.153  -4.037
  467   1HB   LYS  19          2HB       LYS  19  11.290   4.149  -4.747
  468   2HB   LYS  19          1HB       LYS  19   9.814   3.443  -5.425
  469   1HG   LYS  19          2HG       LYS  19   9.601   5.476  -6.922
  470   2HG   LYS  19          1HG       LYS  19  11.135   6.063  -6.270
  471   1HD   LYS  19          2HD       LYS  19  11.526   5.006  -8.423
  472   2HD   LYS  19          1HD       LYS  19  12.270   4.024  -7.151
  473   1HE   LYS  19          2HE       LYS  19  10.350   2.454  -7.223
  474   2HE   LYS  19          1HE       LYS  19   9.577   3.450  -8.478
  475   1HZ   LYS  19          2HZ       LYS  19  11.475   3.059  -9.893
  476   2HZ   LYS  19          1HZ       LYS  19  12.210   2.110  -8.691
  477   3HZ   LYS  19          3HZ       LYS  19  10.765   1.592  -9.417
  478    H    CYS  20           H        CYS  20   7.562   6.252  -2.930
  479    HA   CYS  20           HA       CYS  20   5.565   5.860  -5.078
  480   1HB   CYS  20          2HB       CYS  20   5.265   6.841  -2.219
  481   2HB   CYS  20          1HB       CYS  20   3.948   6.825  -3.400
  482    H    GLU  21           H        GLU  21   4.036   7.644  -5.422
  483    HA   GLU  21           HA       GLU  21   5.536  10.019  -6.291
  484   1HB   GLU  21          2HB       GLU  21   2.597   9.405  -6.768
  485   2HB   GLU  21          1HB       GLU  21   3.652  10.467  -7.700
  486   1HG   GLU  21          2HG       GLU  21   3.745   7.419  -7.624
  487   2HG   GLU  21          1HG       GLU  21   3.201   8.432  -8.967
  488    H    GLY  22           H        GLY  22   4.711  12.120  -6.005
  489   1HA   GLY  22          2HA       GLY  22   3.968  13.954  -4.830
  490   2HA   GLY  22          1HA       GLY  22   2.594  12.956  -4.337
  491    H    SER  23           H        SER  23   2.604  11.956  -2.378
  492    HA   SER  23           HA       SER  23   4.867  11.810  -0.596
  493   1HB   SER  23          2HB       SER  23   3.967  13.327   1.165
  494   2HB   SER  23          1HB       SER  23   4.378  14.215  -0.314
  495    HG   SER  23           HG       SER  23   1.758  13.324   0.422
  496    H    ILE  24           H        ILE  24   3.156   9.984  -1.671
  497    HA   ILE  24           HA       ILE  24   1.043   9.131   0.041
  498    HB   ILE  24           HB       ILE  24   2.741   7.843  -2.074
  499   1HG1  ILE  24          2HG1      ILE  24   1.149   9.291  -3.014
  500   2HG1  ILE  24          1HG1      ILE  24   0.572   7.639  -3.279
  501   1HG2  ILE  24          1HG2      ILE  24   0.636   6.326  -0.521
  502   2HG2  ILE  24          3HG2      ILE  24   1.369   5.794  -2.052
  503   3HG2  ILE  24          2HG2      ILE  24   2.377   5.981  -0.605
  504   1HD1  ILE  24          2HD1      ILE  24  -1.062   7.871  -1.448
  505   2HD1  ILE  24          1HD1      ILE  24  -0.503   9.535  -1.150
  506   3HD1  ILE  24          3HD1      ILE  24  -1.288   9.123  -2.686
  507    H    ALA  25           H        ALA  25   4.468   8.353  -0.065
  508    HA   ALA  25           HA       ALA  25   4.747   6.295   1.741
  509   1HB   ALA  25          2HB       ALA  25   6.622   7.345   0.510
  510   2HB   ALA  25          1HB       ALA  25   6.482   8.804   1.512
  511   3HB   ALA  25          3HB       ALA  25   6.989   7.267   2.250
  512    H    THR  26           H        THR  26   4.445   9.735   2.488
  513    HA   THR  26           HA       THR  26   4.707   9.662   5.294
  514    HB   THR  26           HB       THR  26   3.016  11.537   3.577
  515    HG1  THR  26           HG1      THR  26   5.738  11.690   4.429
  516   1HG2  THR  26          1HG2      THR  26   4.211  11.977   6.351
  517   2HG2  THR  26          3HG2      THR  26   3.366  13.201   5.374
  518   3HG2  THR  26          2HG2      THR  26   2.482  11.784   5.985
  519    H    MET  27           H        MET  27   1.774   9.558   3.286
  520    HA   MET  27           HA       MET  27  -0.130   9.445   5.370
  521   1HB   MET  27          2HB       MET  27  -0.327   8.374   2.526
  522   2HB   MET  27          1HB       MET  27  -1.696   8.614   3.624
  523   1HG   MET  27          2HG       MET  27   0.140  10.761   2.480
  524   2HG   MET  27          1HG       MET  27  -1.564  10.495   2.089
  525   1HE   MET  27          2HE       MET  27  -3.572  10.852   3.886
  526   2HE   MET  27          1HE       MET  27  -2.725   9.837   5.078
  527   3HE   MET  27          3HE       MET  27  -3.307  11.453   5.540
  528    H    ILE  28           H        ILE  28   1.302   6.797   3.493
  529    HA   ILE  28           HA       ILE  28   0.031   4.576   4.609
  530    HB   ILE  28           HB       ILE  28   2.902   4.954   3.673
  531   1HG1  ILE  28          2HG1      ILE  28   0.550   3.708   2.216
  532   2HG1  ILE  28          1HG1      ILE  28   1.078   5.380   1.994
  533   1HG2  ILE  28          1HG2      ILE  28   1.456   2.328   4.202
  534   2HG2  ILE  28          3HG2      ILE  28   3.044   2.492   3.415
  535   3HG2  ILE  28          2HG2      ILE  28   2.846   2.969   5.109
  536   1HD1  ILE  28          2HD1      ILE  28   3.301   4.556   1.205
  537   2HD1  ILE  28          1HD1      ILE  28   2.728   2.879   1.391
  538   3HD1  ILE  28          3HD1      ILE  28   1.965   3.952   0.202
  539    H    LYS  29           H        LYS  29   3.051   6.113   5.641
  540    HA   LYS  29           HA       LYS  29   3.635   4.554   7.899
  541   1HB   LYS  29          2HB       LYS  29   5.220   6.102   6.838
  542   2HB   LYS  29          1HB       LYS  29   4.252   7.486   7.331
  543   1HG   LYS  29          2HG       LYS  29   5.559   5.579   9.312
  544   2HG   LYS  29          1HG       LYS  29   6.376   7.006   8.675
  545   1HD   LYS  29          2HD       LYS  29   3.854   6.988  10.405
  546   2HD   LYS  29          1HD       LYS  29   5.478   7.448  10.895
  547   1HE   LYS  29          2HE       LYS  29   5.447   9.397   9.415
  548   2HE   LYS  29          1HE       LYS  29   3.862   8.920   8.767
  549   1HZ   LYS  29          1HZ       LYS  29   4.441   9.571  11.599
  550   2HZ   LYS  29          3HZ       LYS  29   3.673  10.595  10.482
  551   3HZ   LYS  29          2HZ       LYS  29   2.930   9.144  10.954
  552    H    LYS  30           H        LYS  30   1.743   7.538   7.655
  553    HA   LYS  30           HA       LYS  30   1.288   7.980  10.402
  554   1HB   LYS  30          2HB       LYS  30  -0.289   8.772   7.930
  555   2HB   LYS  30          1HB       LYS  30  -0.731   9.288   9.569
  556   1HG   LYS  30          2HG       LYS  30   1.310  10.505   9.845
  557   2HG   LYS  30          1HG       LYS  30   2.034   9.782   8.409
  558   1HD   LYS  30          2HD       LYS  30   1.408  12.103   7.980
  559   2HD   LYS  30          1HD       LYS  30   0.466  11.011   6.963
  560   1HE   LYS  30          2HE       LYS  30  -0.612  12.194   9.557
  561   2HE   LYS  30          1HE       LYS  30  -0.810  12.975   7.974
  562   1HZ   LYS  30          2HZ       LYS  30  -1.912  10.998   7.181
  563   2HZ   LYS  30          1HZ       LYS  30  -1.733  10.253   8.695
  564   3HZ   LYS  30          3HZ       LYS  30  -2.708  11.634   8.539
  565    H    LYS  31           H        LYS  31  -0.933   6.518   8.024
  566    HA   LYS  31           HA       LYS  31  -3.099   6.038   9.695
  567   1HB   LYS  31          2HB       LYS  31  -2.132   4.888   7.112
  568   2HB   LYS  31          1HB       LYS  31  -3.325   3.929   7.984
  569   1HG   LYS  31          2HG       LYS  31  -4.540   5.239   6.452
  570   2HG   LYS  31          1HG       LYS  31  -4.830   5.943   8.037
  571   1HD   LYS  31          2HD       LYS  31  -2.900   7.078   5.977
  572   2HD   LYS  31          1HD       LYS  31  -4.574   7.590   6.159
  573   1HE   LYS  31          2HE       LYS  31  -2.291   8.039   8.126
  574   2HE   LYS  31          1HE       LYS  31  -3.224   9.233   7.225
  575   1HZ   LYS  31          1HZ       LYS  31  -4.323   7.436   9.297
  576   2HZ   LYS  31          3HZ       LYS  31  -3.942   9.080   9.505
  577   3HZ   LYS  31          2HZ       LYS  31  -5.178   8.623   8.433
  578    H    CYS  32           H        CYS  32  -0.470   3.787   8.927
  579    HA   CYS  32           HA       CYS  32  -1.465   1.718  10.696
  580   1HB   CYS  32          2HB       CYS  32  -0.233   1.286   8.565
  581   2HB   CYS  32          1HB       CYS  32   1.235   1.918   9.315
  582    H    ASP  33           H        ASP  33   0.916   4.274  10.957
  583    HA   ASP  33           HA       ASP  33   1.383   3.845  13.768
  584   1HB   ASP  33          2HB       ASP  33   3.768   3.174  13.631
  585   2HB   ASP  33          1HB       ASP  33   2.698   1.943  12.953
  586    H    LYS  34           H        LYS  34   0.593   6.090  13.173
  587    HA   LYS  34           HA       LYS  34   2.388   7.990  12.040
  588   1HB   LYS  34          2HB       LYS  34   0.928   9.734  13.019
  589   2HB   LYS  34          1HB       LYS  34   0.042   8.525  12.104
  590   1HG   LYS  34          2HG       LYS  34   0.294   8.147  15.084
  591   2HG   LYS  34          1HG       LYS  34  -0.774   9.422  14.499
  592   1HD   LYS  34          2HD       LYS  34  -1.053   6.574  13.479
  593   2HD   LYS  34          1HD       LYS  34  -1.762   7.072  15.013
  594   1HE   LYS  34          2HE       LYS  34  -3.428   7.183  13.206
  595   2HE   LYS  34          1HE       LYS  34  -3.110   8.800  13.863
  596   1HZ   LYS  34          2HZ       LYS  34  -1.622   9.200  12.010
  597   2HZ   LYS  34          1HZ       LYS  34  -1.973   7.666  11.375
  598   3HZ   LYS  34          3HZ       LYS  34  -3.195   8.837  11.483
   
  No H/Q in entry =         598
  Start of MODEL           4
 Raw file had  604 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   1.076 -15.578  -0.363
    2   2H    GLY   1          3H        GLY   1   0.618 -17.207  -0.512
    3   3H    GLY   1          2H        GLY   1  -0.131 -16.216   0.648
    4   1HA   GLY   1          2HA       GLY   1   1.457 -17.690   1.676
    5   2HA   GLY   1          1HA       GLY   1   2.719 -17.023   0.621
    6    H    VAL   2           H        VAL   2   2.708 -14.528   0.639
    7    HA   VAL   2           HA       VAL   2   3.409 -13.584   3.224
    8    HB   VAL   2           HB       VAL   2   4.369 -12.720   1.149
    9   1HG1  VAL   2          2HG1      VAL   2   2.435 -12.672  -0.341
   10   2HG1  VAL   2          1HG1      VAL   2   1.708 -11.350   0.604
   11   3HG1  VAL   2          3HG1      VAL   2   3.221 -11.081  -0.279
   12   1HG2  VAL   2          1HG2      VAL   2   4.592 -11.368   3.146
   13   2HG2  VAL   2          3HG2      VAL   2   4.403 -10.315   1.726
   14   3HG2  VAL   2          2HG2      VAL   2   3.033 -10.572   2.831
   15    H    ILE   3           H        ILE   3   0.582 -13.001   1.206
   16    HA   ILE   3           HA       ILE   3  -1.079 -12.392   3.571
   17    HB   ILE   3           HB       ILE   3  -0.698 -10.619   1.134
   18   1HG1  ILE   3          2HG1      ILE   3  -0.313 -10.085   4.095
   19   2HG1  ILE   3          1HG1      ILE   3   0.947 -10.234   2.866
   20   1HG2  ILE   3          2HG2      ILE   3  -3.113 -10.749   1.531
   21   2HG2  ILE   3          1HG2      ILE   3  -2.865 -10.332   3.244
   22   3HG2  ILE   3          3HG2      ILE   3  -2.503  -9.145   1.972
   23   1HD1  ILE   3          2HD1      ILE   3   0.154  -8.172   1.760
   24   2HD1  ILE   3          1HD1      ILE   3  -1.116  -7.993   2.996
   25   3HD1  ILE   3          3HD1      ILE   3   0.596  -7.885   3.456
   26    HA   PRO   4           HA       PRO   4  -3.691 -15.060   1.105
   27   1HB   PRO   4          2HB       PRO   4  -5.960 -15.032   2.591
   28   2HB   PRO   4          1HB       PRO   4  -4.438 -15.714   3.256
   29   1HG   PRO   4          1HG       PRO   4  -5.564 -12.900   3.611
   30   2HG   PRO   4          2HG       PRO   4  -5.054 -14.061   4.886
   31   1HD   PRO   4          1HD       PRO   4  -3.351 -12.135   3.979
   32   2HD   PRO   4          2HD       PRO   4  -2.751 -13.773   4.401
   33    H    LYS   5           H        LYS   5  -5.786 -15.117   0.042
   34    HA   LYS   5           HA       LYS   5  -6.197 -12.972  -1.725
   35   1HB   LYS   5          2HB       LYS   5  -6.771 -15.307  -2.229
   36   2HB   LYS   5          1HB       LYS   5  -8.038 -15.291  -0.994
   37   1HG   LYS   5          2HG       LYS   5  -9.314 -13.633  -2.251
   38   2HG   LYS   5          1HG       LYS   5  -8.025 -13.498  -3.460
   39   1HD   LYS   5          2HD       LYS   5  -9.669 -16.007  -2.901
   40   2HD   LYS   5          1HD       LYS   5  -9.967 -14.868  -4.224
   41   1HE   LYS   5          2HE       LYS   5  -7.718 -15.390  -5.172
   42   2HE   LYS   5          1HE       LYS   5  -7.447 -16.563  -3.861
   43   1HZ   LYS   5          1HZ       LYS   5  -9.644 -16.651  -5.844
   44   2HZ   LYS   5          3HZ       LYS   5  -8.254 -17.626  -5.849
   45   3HZ   LYS   5          2HZ       LYS   5  -9.386 -17.769  -4.592
   46    H    LYS   6           H        LYS   6  -8.074 -13.959   1.112
   47    HA   LYS   6           HA       LYS   6 -10.244 -12.186   0.897
   48   1HB   LYS   6          2HB       LYS   6  -9.757 -14.200   2.524
   49   2HB   LYS   6          1HB       LYS   6  -9.069 -12.978   3.583
   50   1HG   LYS   6          2HG       LYS   6 -11.925 -13.069   2.513
   51   2HG   LYS   6          1HG       LYS   6 -11.422 -13.517   4.138
   52   1HD   LYS   6          2HD       LYS   6 -11.216 -10.689   3.026
   53   2HD   LYS   6          1HD       LYS   6 -12.590 -11.303   3.931
   54   1HE   LYS   6          2HE       LYS   6 -11.196 -10.013   5.431
   55   2HE   LYS   6          1HE       LYS   6 -11.098 -11.724   5.898
   56   1HZ   LYS   6          1HZ       LYS   6  -9.125 -10.271   4.237
   57   2HZ   LYS   6          3HZ       LYS   6  -8.948 -10.652   5.882
   58   3HZ   LYS   6          2HZ       LYS   6  -9.018 -11.893   4.729
   59    H    ILE   7           H        ILE   7  -7.237 -11.802   2.781
   60    HA   ILE   7           HA       ILE   7  -7.689  -9.191   3.741
   61    HB   ILE   7           HB       ILE   7  -5.126 -10.700   3.172
   62   1HG1  ILE   7          2HG1      ILE   7  -6.629 -11.627   4.938
   63   2HG1  ILE   7          1HG1      ILE   7  -5.027 -11.155   5.522
   64   1HG2  ILE   7          1HG2      ILE   7  -5.397  -8.041   4.632
   65   2HG2  ILE   7          3HG2      ILE   7  -3.934  -9.052   4.607
   66   3HG2  ILE   7          2HG2      ILE   7  -4.541  -8.330   3.101
   67   1HD1  ILE   7          1HD1      ILE   7  -7.578  -9.502   5.870
   68   2HD1  ILE   7          3HD1      ILE   7  -6.813 -10.512   7.117
   69   3HD1  ILE   7          2HD1      ILE   7  -5.967  -9.082   6.490
   70    H    TRP   8           H        TRP   8  -6.129 -10.249   0.724
   71    HA   TRP   8           HA       TRP   8  -5.313  -7.737  -0.231
   72   1HB   TRP   8          2HB       TRP   8  -6.141 -10.269  -1.690
   73   2HB   TRP   8          1HB       TRP   8  -5.654  -8.805  -2.569
   74    HD1  TRP   8          1HD       TRP   8  -4.031 -11.916  -1.552
   75    HE1  TRP   8          1HE       TRP   8  -1.557 -11.679  -1.127
   76    HE3  TRP   8          3HE       TRP   8  -3.810  -6.810  -1.221
   77    HZ2  TRP   8          2HZ       TRP   8   0.274  -9.568  -0.684
   78    HZ3  TRP   8          3HZ       TRP   8  -1.634  -5.730  -0.801
   79    HH2  TRP   8          2HH       TRP   8   0.408  -7.105  -0.535
   80    H    GLU   9           H        GLU   9  -8.439  -9.341  -0.629
   81    HA   GLU   9           HA       GLU   9  -9.681  -7.262  -2.133
   82   1HB   GLU   9          2HB       GLU   9 -10.642  -9.659  -0.619
   83   2HB   GLU   9          1HB       GLU   9 -11.824  -8.413  -1.031
   84   1HG   GLU   9          2HG       GLU   9 -11.794 -10.168  -2.743
   85   2HG   GLU   9          1HG       GLU   9 -11.247  -8.630  -3.427
   86    H    THR  10           H        THR  10  -9.333  -7.763   1.329
   87    HA   THR  10           HA       THR  10 -11.171  -5.803   2.251
   88    HB   THR  10           HB       THR  10  -8.538  -6.684   3.523
   89    HG1  THR  10           HG1      THR  10 -10.019  -8.405   3.076
   90   1HG2  THR  10          1HG2      THR  10 -11.013  -5.441   4.804
   91   2HG2  THR  10          3HG2      THR  10  -9.591  -6.063   5.670
   92   3HG2  THR  10          2HG2      THR  10  -9.431  -4.648   4.606
   93    H    VAL  11           H        VAL  11  -7.690  -5.613   1.620
   94    HA   VAL  11           HA       VAL  11  -7.558  -2.744   1.977
   95    HB   VAL  11           HB       VAL  11  -5.226  -2.931   1.383
   96   1HG1  VAL  11          2HG1      VAL  11  -5.820  -3.426   3.681
   97   2HG1  VAL  11          1HG1      VAL  11  -6.091  -5.140   3.281
   98   3HG1  VAL  11          3HG1      VAL  11  -4.455  -4.448   3.176
   99   1HG2  VAL  11          2HG2      VAL  11  -5.741  -5.844   0.693
  100   2HG2  VAL  11          1HG2      VAL  11  -5.281  -4.553  -0.437
  101   3HG2  VAL  11          3HG2      VAL  11  -4.143  -5.080   0.820
  102    H    CYS  12           H        CYS  12  -8.487  -4.709  -0.612
  103    HA   CYS  12           HA       CYS  12  -7.346  -3.569  -2.872
  104   1HB   CYS  12          2HB       CYS  12  -8.666  -5.591  -2.969
  105   2HB   CYS  12          1HB       CYS  12 -10.135  -4.723  -2.544
  106    HA   PRO  13           HA       PRO  13 -10.649  -0.049  -3.033
  107   1HB   PRO  13          2HB       PRO  13 -12.228   0.371  -0.832
  108   2HB   PRO  13          1HB       PRO  13 -12.696  -0.749  -2.153
  109   1HG   PRO  13          1HG       PRO  13 -11.305  -1.413   0.484
  110   2HG   PRO  13          2HG       PRO  13 -12.775  -2.164  -0.226
  111   1HD   PRO  13          1HD       PRO  13 -10.362  -3.312  -0.566
  112   2HD   PRO  13          2HD       PRO  13 -11.534  -3.266  -1.927
  113    H    THR  14           H        THR  14  -9.241  -0.869   0.099
  114    HA   THR  14           HA       THR  14  -8.960   1.719   1.208
  115    HB   THR  14           HB       THR  14  -7.251  -0.765   1.670
  116    HG1  THR  14           HG1      THR  14  -8.760  -1.116   3.370
  117   1HG2  THR  14          1HG2      THR  14  -7.699   1.640   3.490
  118   2HG2  THR  14          3HG2      THR  14  -6.810   0.157   3.911
  119   3HG2  THR  14          2HG2      THR  14  -6.182   1.239   2.650
  120    H    VAL  15           H        VAL  15  -6.151  -0.227   0.192
  121    HA   VAL  15           HA       VAL  15  -4.698   2.153  -0.661
  122    HB   VAL  15           HB       VAL  15  -2.826   0.618  -1.053
  123   1HG1  VAL  15          1HG1      VAL  15  -4.193   0.161   1.627
  124   2HG1  VAL  15          3HG1      VAL  15  -2.479  -0.153   1.274
  125   3HG1  VAL  15          2HG1      VAL  15  -3.110   1.507   1.202
  126   1HG2  VAL  15          1HG2      VAL  15  -4.000  -1.386  -1.865
  127   2HG2  VAL  15          3HG2      VAL  15  -2.953  -1.779  -0.485
  128   3HG2  VAL  15          2HG2      VAL  15  -4.703  -1.637  -0.249
  129    H    GLU  16           H        GLU  16  -7.026   1.674  -2.144
  130    HA   GLU  16           HA       GLU  16  -6.414   0.611  -4.735
  131   1HB   GLU  16          2HB       GLU  16  -8.727   0.857  -3.784
  132   2HB   GLU  16          1HB       GLU  16  -8.594   2.599  -3.979
  133   1HG   GLU  16          2HG       GLU  16  -8.392   2.368  -6.411
  134   2HG   GLU  16          1HG       GLU  16  -8.367   0.597  -6.268
  135    HA   PRO  17           HA       PRO  17  -5.816   5.146  -6.159
  136   1HB   PRO  17          2HB       PRO  17  -5.561   7.189  -4.375
  137   2HB   PRO  17          1HB       PRO  17  -7.168   6.571  -4.875
  138   1HG   PRO  17          1HG       PRO  17  -5.550   5.847  -2.391
  139   2HG   PRO  17          2HG       PRO  17  -7.265   6.357  -2.503
  140   1HD   PRO  17          1HD       PRO  17  -6.577   3.732  -2.381
  141   2HD   PRO  17          2HD       PRO  17  -7.961   4.295  -3.380
  142    H    TRP  18           H        TRP  18  -4.215   4.651  -3.032
  143    HA   TRP  18           HA       TRP  18  -1.911   6.203  -3.523
  144   1HB   TRP  18          2HB       TRP  18  -2.210   3.889  -1.570
  145   2HB   TRP  18          1HB       TRP  18  -0.976   5.168  -1.508
  146    HD1  TRP  18          1HD       TRP  18  -2.644   7.854  -1.901
  147    HE1  TRP  18          1HE       TRP  18  -4.459   8.604  -0.319
  148    HE3  TRP  18          3HE       TRP  18  -3.555   3.370   0.354
  149    HZ2  TRP  18          2HZ       TRP  18  -6.118   7.410   1.650
  150    HZ3  TRP  18          3HZ       TRP  18  -5.306   3.222   2.099
  151    HH2  TRP  18          2HH       TRP  18  -6.587   5.239   2.739
  152    H    ALA  19           H        ALA  19  -2.479   2.758  -4.053
  153    HA   ALA  19           HA       ALA  19   0.120   1.861  -4.595
  154   1HB   ALA  19          1HB       ALA  19  -2.496   1.025  -5.936
  155   2HB   ALA  19          3HB       ALA  19  -0.973   0.102  -5.979
  156   3HB   ALA  19          2HB       ALA  19  -1.821   0.349  -4.434
  157    H    LYS  20           H        LYS  20  -2.282   3.069  -6.913
  158    HA   LYS  20           HA       LYS  20  -0.603   3.217  -9.203
  159   1HB   LYS  20          2HB       LYS  20  -3.140   4.714  -8.441
  160   2HB   LYS  20          1HB       LYS  20  -2.344   4.908 -10.005
  161   1HG   LYS  20          2HG       LYS  20  -4.250   3.337 -10.115
  162   2HG   LYS  20          1HG       LYS  20  -2.723   2.565 -10.559
  163   1HD   LYS  20          2HD       LYS  20  -2.597   1.396  -8.458
  164   2HD   LYS  20          1HD       LYS  20  -3.923   2.348  -7.776
  165   1HE   LYS  20          2HE       LYS  20  -5.507   1.279  -9.355
  166   2HE   LYS  20          1HE       LYS  20  -4.170   0.357 -10.084
  167   1HZ   LYS  20          1HZ       LYS  20  -5.029   0.232  -7.248
  168   2HZ   LYS  20          3HZ       LYS  20  -5.366  -0.931  -8.439
  169   3HZ   LYS  20          2HZ       LYS  20  -3.763  -0.659  -7.947
  170    H    LYS  21           H        LYS  21  -1.357   5.513  -6.659
  171    HA   LYS  21           HA       LYS  21   0.308   7.666  -7.731
  172   1HB   LYS  21          2HB       LYS  21  -1.176   7.344  -5.087
  173   2HB   LYS  21          1HB       LYS  21  -0.377   8.825  -5.641
  174   1HG   LYS  21          2HG       LYS  21  -1.910   9.036  -7.515
  175   2HG   LYS  21          1HG       LYS  21  -2.639   7.464  -7.169
  176   1HD   LYS  21          2HD       LYS  21  -4.104   9.271  -6.398
  177   2HD   LYS  21          1HD       LYS  21  -3.521   8.320  -5.027
  178   1HE   LYS  21          2HE       LYS  21  -3.482  10.724  -4.485
  179   2HE   LYS  21          1HE       LYS  21  -1.828  10.072  -4.532
  180   1HZ   LYS  21          2HZ       LYS  21  -1.601  10.908  -6.768
  181   2HZ   LYS  21          1HZ       LYS  21  -3.179  11.535  -6.725
  182   3HZ   LYS  21          3HZ       LYS  21  -1.987  12.165  -5.690
  183    H    CYS  22           H        CYS  22   1.755   5.385  -7.457
  184    HA   CYS  22           HA       CYS  22   3.969   6.126  -5.773
  185   1HB   CYS  22          2HB       CYS  22   2.397   4.974  -4.129
  186   2HB   CYS  22          1HB       CYS  22   2.527   3.509  -5.118
  187    H    SER  23           H        SER  23   5.685   4.351  -5.946
  188    HA   SER  23           HA       SER  23   5.550   2.948  -8.566
  189   1HB   SER  23          2HB       SER  23   7.735   4.893  -7.680
  190   2HB   SER  23          1HB       SER  23   7.783   3.896  -9.151
  191    HG   SER  23           HG       SER  23   5.758   5.824  -8.541
  192    H    GLY  24           H        GLY  24   7.746   1.836  -8.929
  193   1HA   GLY  24          2HA       GLY  24   9.395   0.316  -8.230
  194   2HA   GLY  24          1HA       GLY  24   8.900   0.565  -6.550
  195    H    ASP  25           H        ASP  25   9.412  -1.838  -7.018
  196    HA   ASP  25           HA       ASP  25   7.672  -3.598  -8.341
  197   1HB   ASP  25          2HB       ASP  25   9.337  -4.091  -5.824
  198   2HB   ASP  25          1HB       ASP  25   8.668  -5.348  -6.883
  199    H    ILE  26           H        ILE  26   7.584  -2.408  -5.025
  200    HA   ILE  26           HA       ILE  26   5.558  -4.083  -3.978
  201    HB   ILE  26           HB       ILE  26   6.178  -1.210  -3.199
  202   1HG1  ILE  26          2HG1      ILE  26   8.268  -2.461  -3.202
  203   2HG1  ILE  26          1HG1      ILE  26   7.763  -2.081  -1.558
  204   1HG2  ILE  26          1HG2      ILE  26   4.948  -3.492  -1.605
  205   2HG2  ILE  26          3HG2      ILE  26   5.398  -1.900  -0.949
  206   3HG2  ILE  26          2HG2      ILE  26   4.116  -2.026  -2.173
  207   1HD1  ILE  26          2HD1      ILE  26   6.935  -4.412  -1.265
  208   2HD1  ILE  26          1HD1      ILE  26   7.436  -4.793  -2.931
  209   3HD1  ILE  26          3HD1      ILE  26   8.657  -4.381  -1.705
  210    H    ALA  27           H        ALA  27   5.354  -0.797  -5.314
  211    HA   ALA  27           HA       ALA  27   2.599  -0.329  -5.114
  212   1HB   ALA  27          1HB       ALA  27   4.527   0.574  -7.304
  213   2HB   ALA  27          3HB       ALA  27   2.931   1.285  -6.981
  214   3HB   ALA  27          2HB       ALA  27   4.222   1.411  -5.766
  215    H    THR  28           H        THR  28   4.422  -1.777  -7.768
  216    HA   THR  28           HA       THR  28   2.303  -2.312  -9.561
  217    HB   THR  28           HB       THR  28   4.940  -3.802  -9.174
  218    HG1  THR  28           HG1      THR  28   4.242  -1.568 -10.811
  219   1HG2  THR  28          1HG2      THR  28   3.154  -3.626 -11.645
  220   2HG2  THR  28          3HG2      THR  28   4.755  -4.396 -11.566
  221   3HG2  THR  28          2HG2      THR  28   3.398  -5.077 -10.644
  222    H    TYR  29           H        TYR  29   3.648  -4.224  -6.915
  223    HA   TYR  29           HA       TYR  29   2.406  -6.709  -7.554
  224   1HB   TYR  29          2HB       TYR  29   4.386  -6.547  -6.111
  225   2HB   TYR  29          1HB       TYR  29   3.459  -5.660  -4.895
  226    HD1  TYR  29          1HD       TYR  29   1.391  -6.877  -3.850
  227    HD2  TYR  29          2HD       TYR  29   4.526  -8.884  -5.995
  228    HE1  TYR  29          1HE       TYR  29   0.672  -9.023  -2.896
  229    HE2  TYR  29          2HE       TYR  29   3.817 -11.036  -5.005
  230    HH   TYR  29           HH       TYR  29   0.988 -11.231  -2.824
  231    H    ILE  30           H        ILE  30   1.611  -4.401  -4.960
  232    HA   ILE  30           HA       ILE  30  -0.778  -5.652  -4.130
  233    HB   ILE  30           HB       ILE  30   0.233  -2.821  -3.802
  234   1HG1  ILE  30          2HG1      ILE  30   0.170  -5.265  -1.993
  235   2HG1  ILE  30          1HG1      ILE  30   1.591  -4.546  -2.754
  236   1HG2  ILE  30          1HG2      ILE  30  -2.196  -4.073  -2.445
  237   2HG2  ILE  30          3HG2      ILE  30  -1.463  -2.507  -2.019
  238   3HG2  ILE  30          2HG2      ILE  30  -2.220  -2.723  -3.608
  239   1HD1  ILE  30          1HD1      ILE  30  -0.117  -3.208  -0.605
  240   2HD1  ILE  30          3HD1      ILE  30   1.471  -3.963  -0.362
  241   3HD1  ILE  30          2HD1      ILE  30   1.327  -2.517  -1.379
  242    H    LYS  31           H        LYS  31  -0.253  -3.052  -6.449
  243    HA   LYS  31           HA       LYS  31  -2.829  -2.365  -7.228
  244   1HB   LYS  31          2HB       LYS  31  -0.825  -1.310  -8.122
  245   2HB   LYS  31          1HB       LYS  31  -0.323  -2.799  -8.909
  246   1HG   LYS  31          2HG       LYS  31  -2.829  -1.244  -9.648
  247   2HG   LYS  31          1HG       LYS  31  -1.262  -1.000 -10.421
  248   1HD   LYS  31          2HD       LYS  31  -3.001  -3.509 -10.553
  249   2HD   LYS  31          1HD       LYS  31  -2.647  -2.367 -11.842
  250   1HE   LYS  31          2HE       LYS  31  -0.318  -3.045 -11.944
  251   2HE   LYS  31          1HE       LYS  31  -0.507  -4.087 -10.515
  252   1HZ   LYS  31          1HZ       LYS  31  -1.945  -4.405 -13.081
  253   2HZ   LYS  31          3HZ       LYS  31  -0.621  -5.336 -12.558
  254   3HZ   LYS  31          2HZ       LYS  31  -2.094  -5.402 -11.714
  255    H    ARG  32           H        ARG  32  -0.886  -5.114  -8.350
  256    HA   ARG  32           HA       ARG  32  -2.804  -6.214 -10.140
  257   1HB   ARG  32          2HB       ARG  32  -0.341  -6.697 -10.148
  258   2HB   ARG  32          1HB       ARG  32  -0.564  -7.683  -8.694
  259   1HG   ARG  32          2HG       ARG  32  -2.096  -9.184  -9.925
  260   2HG   ARG  32          1HG       ARG  32  -1.910  -8.190 -11.382
  261   1HD   ARG  32          2HD       ARG  32   0.539  -8.718 -11.393
  262   2HD   ARG  32          1HD       ARG  32   0.292  -9.775  -9.983
  263    HE   ARG  32           HE       ARG  32  -1.519 -10.514 -12.056
  264   1HH1  ARG  32          2HH2      ARG  32   1.899 -10.586 -11.265
  265   2HH1  ARG  32          1HH2      ARG  32   2.215 -11.994 -12.223
  266   1HH2  ARG  32          2HH1      ARG  32  -1.093 -12.373 -13.293
  267   2HH2  ARG  32          1HH1      ARG  32   0.515 -13.007 -13.373
  268    H    GLU  33           H        GLU  33  -2.132  -6.897  -6.709
  269    HA   GLU  33           HA       GLU  33  -3.687  -9.211  -6.365
  270   1HB   GLU  33          2HB       GLU  33  -3.435  -6.967  -4.317
  271   2HB   GLU  33          1HB       GLU  33  -3.788  -8.666  -4.003
  272   1HG   GLU  33          2HG       GLU  33  -1.148  -7.512  -4.972
  273   2HG   GLU  33          1HG       GLU  33  -1.492  -8.166  -3.371
  274    H    CYS  34           H        CYS  34  -4.613  -5.849  -5.854
  275    HA   CYS  34           HA       CYS  34  -7.370  -6.291  -5.258
  276   1HB   CYS  34          2HB       CYS  34  -6.157  -4.336  -4.504
  277   2HB   CYS  34          1HB       CYS  34  -5.769  -3.868  -6.157
  278    H    GLY  35           H        GLY  35  -5.810  -4.930  -8.140
  279   1HA   GLY  35          2HA       GLY  35  -8.169  -4.622  -9.703
  280   2HA   GLY  35          1HA       GLY  35  -6.510  -4.579 -10.315
  281    H    LYS  36           H        LYS  36  -5.450  -6.814 -10.339
  282    HA   LYS  36           HA       LYS  36  -6.986  -8.570 -12.053
  283   1HB   LYS  36          2HB       LYS  36  -4.462  -8.012 -12.178
  284   2HB   LYS  36          1HB       LYS  36  -4.249  -9.172 -10.867
  285   1HG   LYS  36          2HG       LYS  36  -5.499  -9.808 -13.570
  286   2HG   LYS  36          1HG       LYS  36  -3.814 -10.107 -13.150
  287   1HD   LYS  36          2HD       LYS  36  -6.203 -11.416 -11.774
  288   2HD   LYS  36          1HD       LYS  36  -5.252 -12.143 -13.065
  289   1HE   LYS  36          2HE       LYS  36  -4.063 -11.302 -10.382
  290   2HE   LYS  36          1HE       LYS  36  -4.615 -12.948 -10.762
  291   1HZ   LYS  36          1HZ       LYS  36  -2.550 -11.419 -12.234
  292   2HZ   LYS  36          3HZ       LYS  36  -2.255 -12.670 -11.125
  293   3HZ   LYS  36          2HZ       LYS  36  -3.058 -13.001 -12.585
  294    H    LEU  37           H        LEU  37  -8.676  -9.105 -10.668
  295    HA   LEU  37           HA       LEU  37  -8.402 -11.609  -9.321
  296   1HB   LEU  37          2HB       LEU  37  -7.487 -10.120  -7.549
  297   2HB   LEU  37          1HB       LEU  37  -8.967  -9.171  -7.571
  298    HG   LEU  37           HG       LEU  37  -8.660 -10.769  -5.661
  299   1HD1  LEU  37          2HD1      LEU  37 -10.889  -9.887  -6.123
  300   2HD1  LEU  37          1HD1      LEU  37 -11.208 -11.201  -7.277
  301   3HD1  LEU  37          3HD1      LEU  37 -10.987 -11.568  -5.561
  302   1HD2  LEU  37          1HD2      LEU  37  -7.682 -12.673  -6.788
  303   2HD2  LEU  37          3HD2      LEU  37  -9.182 -13.161  -5.971
  304   3HD2  LEU  37          2HD2      LEU  37  -9.170 -12.926  -7.733
  305   1H    TRP   1          2H        TRP   1  -6.830   0.876  12.105
  306   2H    TRP   1          1H        TRP   1  -6.338  -0.064  10.780
  307   3H    TRP   1          3H        TRP   1  -6.910   1.516  10.532
  308    HA   TRP   1           HA       TRP   1  -9.061   0.895  11.362
  309   1HB   TRP   1          2HB       TRP   1  -9.753  -0.481   9.408
  310   2HB   TRP   1          1HB       TRP   1  -8.744   0.909   8.978
  311    HD1  TRP   1          1HD       TRP   1  -8.229  -3.004   9.595
  312    HE1  TRP   1          1HE       TRP   1  -6.362  -3.818   8.107
  313    HE3  TRP   1          3HE       TRP   1  -6.946   1.478   7.500
  314    HZ2  TRP   1          2HZ       TRP   1  -4.633  -2.701   6.168
  315    HZ3  TRP   1          3HZ       TRP   1  -5.152   1.539   5.796
  316    HH2  TRP   1          2HH       TRP   1  -3.998  -0.548   5.132
  317    H    SER   2           H        SER   2  -6.740  -1.731  11.418
  318    HA   SER   2           HA       SER   2  -8.309  -3.072  13.531
  319   1HB   SER   2          2HB       SER   2  -9.040  -4.119  11.369
  320   2HB   SER   2          1HB       SER   2  -7.341  -4.492  11.003
  321    HG   SER   2           HG       SER   2  -8.439  -6.284  11.972
  322    H    THR   3           H        THR   3  -7.085  -4.699  14.639
  323    HA   THR   3           HA       THR   3  -4.329  -4.016  15.106
  324    HB   THR   3           HB       THR   3  -5.986  -6.409  16.019
  325    HG1  THR   3           HG1      THR   3  -5.348  -3.929  17.278
  326   1HG2  THR   3          1HG2      THR   3  -3.338  -5.357  17.123
  327   2HG2  THR   3          3HG2      THR   3  -4.321  -6.658  17.835
  328   3HG2  THR   3          2HG2      THR   3  -3.557  -6.892  16.248
  329    H    ILE   4           H        ILE   4  -5.871  -6.985  13.882
  330    HA   ILE   4           HA       ILE   4  -3.411  -8.186  13.021
  331    HB   ILE   4           HB       ILE   4  -6.318  -8.845  12.484
  332   1HG1  ILE   4          2HG1      ILE   4  -5.837 -10.873  13.866
  333   2HG1  ILE   4          1HG1      ILE   4  -4.234 -10.221  14.215
  334   1HG2  ILE   4          1HG2      ILE   4  -3.898 -10.451  11.579
  335   2HG2  ILE   4          3HG2      ILE   4  -5.583 -11.016  11.539
  336   3HG2  ILE   4          2HG2      ILE   4  -5.086  -9.644  10.532
  337   1HD1  ILE   4          1HD1      ILE   4  -6.877  -8.908  15.001
  338   2HD1  ILE   4          3HD1      ILE   4  -5.811  -9.841  16.078
  339   3HD1  ILE   4          2HD1      ILE   4  -5.248  -8.305  15.403
  340    H    VAL   5           H        VAL   5  -6.163  -6.907  11.140
  341    HA   VAL   5           HA       VAL   5  -5.105  -7.545   8.613
  342    HB   VAL   5           HB       VAL   5  -7.066  -5.312   9.228
  343   1HG1  VAL   5          2HG1      VAL   5  -6.254  -5.240   6.913
  344   2HG1  VAL   5          1HG1      VAL   5  -6.677  -6.952   6.696
  345   3HG1  VAL   5          3HG1      VAL   5  -7.956  -5.746   6.969
  346   1HG2  VAL   5          2HG2      VAL   5  -7.660  -8.264   8.788
  347   2HG2  VAL   5          1HG2      VAL   5  -7.865  -7.362  10.306
  348   3HG2  VAL   5          3HG2      VAL   5  -8.872  -6.967   8.897
  349    H    LYS   6           H        LYS   6  -5.074  -4.393  10.286
  350    HA   LYS   6           HA       LYS   6  -3.802  -2.935   8.217
  351   1HB   LYS   6          2HB       LYS   6  -4.990  -1.945  10.217
  352   2HB   LYS   6          1HB       LYS   6  -3.580  -2.393  11.197
  353   1HG   LYS   6          2HG       LYS   6  -2.132  -0.983   9.742
  354   2HG   LYS   6          1HG       LYS   6  -3.553  -0.516   8.797
  355   1HD   LYS   6          2HD       LYS   6  -2.983   1.259  10.368
  356   2HD   LYS   6          1HD       LYS   6  -4.543   0.550  10.802
  357   1HE   LYS   6          2HE       LYS   6  -3.173   0.983  12.814
  358   2HE   LYS   6          1HE       LYS   6  -3.458  -0.762  12.616
  359   1HZ   LYS   6          2HZ       LYS   6  -1.293  -0.943  11.575
  360   2HZ   LYS   6          1HZ       LYS   6  -1.029   0.720  11.792
  361   3HZ   LYS   6          3HZ       LYS   6  -1.168  -0.299  13.143
  362    H    LEU   7           H        LEU   7  -2.411  -4.446  11.120
  363    HA   LEU   7           HA       LEU   7   0.289  -3.763  10.569
  364   1HB   LEU   7          2HB       LEU   7  -0.838  -6.018  12.266
  365   2HB   LEU   7          1HB       LEU   7   0.863  -5.536  12.236
  366    HG   LEU   7           HG       LEU   7  -1.477  -3.799  13.109
  367   1HD1  LEU   7          2HD1      LEU   7  -0.945  -5.540  14.756
  368   2HD1  LEU   7          1HD1      LEU   7   0.768  -5.062  14.736
  369   3HD1  LEU   7          3HD1      LEU   7  -0.462  -3.941  15.367
  370   1HD2  LEU   7          2HD2      LEU   7   1.487  -3.111  13.085
  371   2HD2  LEU   7          1HD2      LEU   7   0.222  -2.376  12.074
  372   3HD2  LEU   7          3HD2      LEU   7   0.202  -2.136  13.832
  373    H    THR   8           H        THR   8  -1.652  -6.384   9.347
  374    HA   THR   8           HA       THR   8   0.448  -8.111   8.470
  375    HB   THR   8           HB       THR   8  -2.410  -7.724   7.504
  376    HG1  THR   8           HG1      THR   8  -1.968  -8.602   9.640
  377   1HG2  THR   8          1HG2      THR   8  -0.482  -9.955   6.721
  378   2HG2  THR   8          3HG2      THR   8  -2.221  -9.903   6.353
  379   3HG2  THR   8          2HG2      THR   8  -1.126  -8.705   5.631
  380    H    ILE   9           H        ILE   9  -1.446  -5.675   6.700
  381    HA   ILE   9           HA       ILE   9   0.115  -5.908   4.293
  382    HB   ILE   9           HB       ILE   9  -2.263  -5.316   4.288
  383   1HG1  ILE   9          2HG1      ILE   9  -2.204  -3.470   2.631
  384   2HG1  ILE   9          1HG1      ILE   9  -0.509  -3.185   3.032
  385   1HG2  ILE   9          1HG2      ILE   9  -1.451  -2.654   5.513
  386   2HG2  ILE   9          3HG2      ILE   9  -3.044  -3.038   4.831
  387   3HG2  ILE   9          2HG2      ILE   9  -2.459  -3.918   6.259
  388   1HD1  ILE   9          1HD1      ILE   9  -1.638  -5.770   1.871
  389   2HD1  ILE   9          3HD1      ILE   9  -0.728  -4.535   0.975
  390   3HD1  ILE   9          2HD1      ILE   9   0.074  -5.470   2.253
  391    H    CYS  10           H        CYS  10   0.175  -3.785   7.042
  392    HA   CYS  10           HA       CYS  10   1.392  -1.499   6.190
  393   1HB   CYS  10          2HB       CYS  10   1.349  -2.946   8.792
  394   2HB   CYS  10          1HB       CYS  10   2.521  -1.627   8.618
  395    HA   PRO  11           HA       PRO  11   5.941  -3.115   6.962
  396   1HB   PRO  11          2HB       PRO  11   6.303  -5.786   6.222
  397   2HB   PRO  11          1HB       PRO  11   6.105  -5.214   7.907
  398   1HG   PRO  11          1HG       PRO  11   3.980  -6.282   6.002
  399   2HG   PRO  11          2HG       PRO  11   4.295  -6.743   7.710
  400   1HD   PRO  11          1HD       PRO  11   2.347  -5.000   7.190
  401   2HD   PRO  11          2HD       PRO  11   3.476  -4.641   8.540
  402    H    THR  12           H        THR  12   4.034  -4.838   4.512
  403    HA   THR  12           HA       THR  12   5.750  -4.509   2.284
  404    HB   THR  12           HB       THR  12   2.695  -4.579   2.279
  405    HG1  THR  12           HG1      THR  12   4.620  -6.690   2.218
  406   1HG2  THR  12          1HG2      THR  12   4.709  -5.391   0.136
  407   2HG2  THR  12          3HG2      THR  12   2.945  -5.600   0.043
  408   3HG2  THR  12          2HG2      THR  12   3.645  -3.966   0.076
  409    H    LEU  13           H        LEU  13   3.118  -2.482   3.524
  410    HA   LEU  13           HA       LEU  13   3.167  -0.454   1.549
  411   1HB   LEU  13          2HB       LEU  13   2.333  -0.249   4.473
  412   2HB   LEU  13          1HB       LEU  13   1.981   0.936   3.216
  413    HG   LEU  13           HG       LEU  13   1.017  -1.934   3.266
  414   1HD1  LEU  13          2HD1      LEU  13  -0.115  -0.589   4.961
  415   2HD1  LEU  13          1HD1      LEU  13  -0.505   0.656   3.752
  416   3HD1  LEU  13          3HD1      LEU  13  -1.238  -0.960   3.634
  417   1HD2  LEU  13          2HD2      LEU  13   0.376   0.264   1.261
  418   2HD2  LEU  13          1HD2      LEU  13   1.312  -1.215   0.947
  419   3HD2  LEU  13          3HD2      LEU  13  -0.416  -1.327   1.335
  420    H    LYS  14           H        LYS  14   5.201  -0.902   4.376
  421    HA   LYS  14           HA       LYS  14   6.375   1.711   4.428
  422   1HB   LYS  14          2HB       LYS  14   7.612  -0.950   5.254
  423   2HB   LYS  14          1HB       LYS  14   8.258   0.645   5.636
  424   1HG   LYS  14          2HG       LYS  14   5.605  -0.491   6.608
  425   2HG   LYS  14          1HG       LYS  14   7.080  -0.323   7.560
  426   1HD   LYS  14          2HD       LYS  14   6.936   2.162   7.316
  427   2HD   LYS  14          1HD       LYS  14   5.431   1.967   6.398
  428   1HE   LYS  14          2HE       LYS  14   4.336   0.933   8.354
  429   2HE   LYS  14          1HE       LYS  14   5.837   1.080   9.296
  430   1HZ   LYS  14          2HZ       LYS  14   5.721   3.473   9.000
  431   2HZ   LYS  14          1HZ       LYS  14   4.279   3.309   8.120
  432   3HZ   LYS  14          3HZ       LYS  14   4.324   2.879   9.761
  433    H    SER  15           H        SER  15   7.324  -1.329   2.879
  434    HA   SER  15           HA       SER  15   9.607  -0.460   1.480
  435   1HB   SER  15          2HB       SER  15   7.577  -2.563   0.603
  436   2HB   SER  15          1HB       SER  15   9.248  -2.401   0.023
  437    HG   SER  15           HG       SER  15   8.467  -2.907   2.727
  438    H    MET  16           H        MET  16   6.195  -0.368   0.574
  439    HA   MET  16           HA       MET  16   6.374   0.684  -2.040
  440   1HB   MET  16          2HB       MET  16   4.277  -0.175  -1.014
  441   2HB   MET  16          1HB       MET  16   4.260   1.184   0.110
  442   1HG   MET  16          2HG       MET  16   4.035   2.756  -1.776
  443   2HG   MET  16          1HG       MET  16   4.023   1.398  -2.915
  444   1HE   MET  16          2HE       MET  16   2.073  -0.378  -3.084
  445   2HE   MET  16          1HE       MET  16   2.271  -0.766  -1.358
  446   3HE   MET  16          3HE       MET  16   0.653  -0.405  -2.011
  447    H    ALA  17           H        ALA  17   6.139   2.292   1.090
  448    HA   ALA  17           HA       ALA  17   5.921   4.970   0.297
  449   1HB   ALA  17          2HB       ALA  17   5.476   4.199   2.589
  450   2HB   ALA  17          1HB       ALA  17   7.195   3.812   2.819
  451   3HB   ALA  17          3HB       ALA  17   6.688   5.497   2.608
  452    H    LYS  18           H        LYS  18   8.772   2.959   0.626
  453    HA   LYS  18           HA       LYS  18  10.874   4.743   0.751
  454   1HB   LYS  18          2HB       LYS  18  10.700   2.218  -0.945
  455   2HB   LYS  18          1HB       LYS  18  12.198   3.068  -0.544
  456   1HG   LYS  18          2HG       LYS  18  11.797   2.662   1.868
  457   2HG   LYS  18          1HG       LYS  18  10.299   1.802   1.474
  458   1HD   LYS  18          2HD       LYS  18  11.572   0.098   0.230
  459   2HD   LYS  18          1HD       LYS  18  13.082   0.963   0.551
  460   1HE   LYS  18          2HE       LYS  18  11.276  -0.270   2.689
  461   2HE   LYS  18          1HE       LYS  18  12.782  -0.987   2.072
  462   1HZ   LYS  18          2HZ       LYS  18  13.967   0.956   2.836
  463   2HZ   LYS  18          1HZ       LYS  18  12.527   1.639   3.418
  464   3HZ   LYS  18          3HZ       LYS  18  13.135   0.215   4.118
  465    H    LYS  19           H        LYS  19   8.980   3.908  -2.118
  466    HA   LYS  19           HA       LYS  19  10.059   6.282  -3.519
  467   1HB   LYS  19          2HB       LYS  19  11.454   4.266  -4.130
  468   2HB   LYS  19          1HB       LYS  19   9.995   3.504  -4.774
  469   1HG   LYS  19          2HG       LYS  19   9.768   5.477  -6.369
  470   2HG   LYS  19          1HG       LYS  19  11.324   6.064  -5.772
  471   1HD   LYS  19          2HD       LYS  19  11.669   4.889  -7.867
  472   2HD   LYS  19          1HD       LYS  19  12.399   3.946  -6.556
  473   1HE   LYS  19          2HE       LYS  19  10.429   2.429  -6.541
  474   2HE   LYS  19          1HE       LYS  19   9.674   3.399  -7.828
  475   1HZ   LYS  19          2HZ       LYS  19  11.537   2.894  -9.245
  476   2HZ   LYS  19          1HZ       LYS  19  12.265   1.973  -8.018
  477   3HZ   LYS  19          3HZ       LYS  19  10.794   1.466  -8.704
  478    H    CYS  20           H        CYS  20   7.740   6.631  -2.593
  479    HA   CYS  20           HA       CYS  20   5.761   5.991  -4.699
  480   1HB   CYS  20          2HB       CYS  20   5.457   7.324  -1.995
  481   2HB   CYS  20          1HB       CYS  20   4.155   7.263  -3.189
  482    H    GLU  21           H        GLU  21   4.242   7.751  -5.218
  483    HA   GLU  21           HA       GLU  21   5.762   9.924  -6.497
  484   1HB   GLU  21          2HB       GLU  21   2.845   9.048  -6.753
  485   2HB   GLU  21          1HB       GLU  21   3.682  10.201  -7.805
  486   1HG   GLU  21          2HG       GLU  21   5.163   8.464  -8.654
  487   2HG   GLU  21          1HG       GLU  21   4.565   7.292  -7.475
  488    H    GLY  22           H        GLY  22   5.167  12.070  -6.338
  489   1HA   GLY  22          2HA       GLY  22   4.609  14.049  -5.293
  490   2HA   GLY  22          1HA       GLY  22   3.137  13.232  -4.747
  491    H    SER  23           H        SER  23   3.054  12.336  -2.731
  492    HA   SER  23           HA       SER  23   5.294  11.938  -0.979
  493   1HB   SER  23          2HB       SER  23   4.694  13.653   0.733
  494   2HB   SER  23          1HB       SER  23   5.202  14.406  -0.791
  495    HG   SER  23           HG       SER  23   2.497  13.971   0.038
  496    H    ILE  24           H        ILE  24   3.113  10.465  -1.975
  497    HA   ILE  24           HA       ILE  24   1.012  10.106  -0.066
  498    HB   ILE  24           HB       ILE  24   2.125   8.267  -2.211
  499   1HG1  ILE  24          2HG1      ILE  24   1.284  10.307  -3.183
  500   2HG1  ILE  24          1HG1      ILE  24   0.165   8.987  -3.542
  501   1HG2  ILE  24          1HG2      ILE  24  -0.489   7.977  -0.680
  502   2HG2  ILE  24          3HG2      ILE  24  -0.018   7.036  -2.116
  503   3HG2  ILE  24          2HG2      ILE  24   0.913   6.883  -0.611
  504   1HD1  ILE  24          1HD1      ILE  24  -0.234  11.106  -1.377
  505   2HD1  ILE  24          3HD1      ILE  24  -1.050  11.060  -2.949
  506   3HD1  ILE  24          2HD1      ILE  24  -1.363   9.782  -1.750
  507    H    ALA  25           H        ALA  25   4.159   8.655  -0.491
  508    HA   ALA  25           HA       ALA  25   4.315   6.521   1.195
  509   1HB   ALA  25          1HB       ALA  25   6.271   8.863   0.994
  510   2HB   ALA  25          3HB       ALA  25   6.671   7.256   1.638
  511   3HB   ALA  25          2HB       ALA  25   6.220   7.442  -0.072
  512    H    THR  26           H        THR  26   4.495   9.916   2.202
  513    HA   THR  26           HA       THR  26   5.000   9.558   4.956
  514    HB   THR  26           HB       THR  26   3.498  11.826   3.574
  515    HG1  THR  26           HG1      THR  26   6.280  11.455   4.109
  516   1HG2  THR  26          1HG2      THR  26   5.053  11.818   6.207
  517   2HG2  THR  26          3HG2      THR  26   4.319  13.242   5.431
  518   3HG2  THR  26          2HG2      THR  26   3.285  11.938   6.054
  519    H    MET  27           H        MET  27   1.920  10.068   3.259
  520    HA   MET  27           HA       MET  27   0.173  10.055   5.470
  521   1HB   MET  27          2HB       MET  27  -0.237   9.261   2.564
  522   2HB   MET  27          1HB       MET  27  -1.553   9.262   3.741
  523   1HG   MET  27          2HG       MET  27  -1.554  11.296   2.370
  524   2HG   MET  27          1HG       MET  27  -1.336  11.656   4.084
  525   1HE   MET  27          1HE       MET  27   1.253  11.971   5.125
  526   2HE   MET  27          3HE       MET  27   1.956  13.424   4.379
  527   3HE   MET  27          2HE       MET  27   0.241  13.404   4.847
  528    H    ILE  28           H        ILE  28   0.987   7.387   3.281
  529    HA   ILE  28           HA       ILE  28  -0.456   5.298   4.437
  530    HB   ILE  28           HB       ILE  28   2.241   5.297   3.039
  531   1HG1  ILE  28          2HG1      ILE  28   0.485   6.233   1.646
  532   2HG1  ILE  28          1HG1      ILE  28   1.019   4.672   1.015
  533   1HG2  ILE  28          1HG2      ILE  28   0.445   2.901   3.560
  534   2HG2  ILE  28          3HG2      ILE  28   1.866   2.917   2.490
  535   3HG2  ILE  28          2HG2      ILE  28   2.066   3.185   4.234
  536   1HD1  ILE  28          2HD1      ILE  28  -1.005   3.590   1.992
  537   2HD1  ILE  28          1HD1      ILE  28  -1.541   5.170   2.613
  538   3HD1  ILE  28          3HD1      ILE  28  -1.422   4.894   0.862
  539    H    LYS  29           H        LYS  29   2.831   6.347   5.152
  540    HA   LYS  29           HA       LYS  29   3.599   4.414   7.038
  541   1HB   LYS  29          2HB       LYS  29   4.980   6.197   5.856
  542   2HB   LYS  29          1HB       LYS  29   4.382   7.365   7.018
  543   1HG   LYS  29          2HG       LYS  29   5.996   4.864   7.680
  544   2HG   LYS  29          1HG       LYS  29   6.681   6.470   7.475
  545   1HD   LYS  29          2HD       LYS  29   4.728   5.708   9.680
  546   2HD   LYS  29          1HD       LYS  29   6.475   5.735   9.842
  547   1HE   LYS  29          2HE       LYS  29   5.672   7.770  10.815
  548   2HE   LYS  29          1HE       LYS  29   6.440   8.207   9.276
  549   1HZ   LYS  29          1HZ       LYS  29   3.537   7.819   9.697
  550   2HZ   LYS  29          3HZ       LYS  29   4.332   9.317   9.613
  551   3HZ   LYS  29          2HZ       LYS  29   4.285   8.306   8.253
  552    H    LYS  30           H        LYS  30   1.988   7.532   7.473
  553    HA   LYS  30           HA       LYS  30   1.864   7.698  10.261
  554   1HB   LYS  30          2HB       LYS  30   1.314   9.530   8.667
  555   2HB   LYS  30          1HB       LYS  30  -0.204   8.709   8.281
  556   1HG   LYS  30          2HG       LYS  30  -0.548  10.537   9.902
  557   2HG   LYS  30          1HG       LYS  30  -1.001   8.968  10.574
  558   1HD   LYS  30          2HD       LYS  30   0.198  10.343  12.232
  559   2HD   LYS  30          1HD       LYS  30   1.101   8.869  11.857
  560   1HE   LYS  30          2HE       LYS  30   2.595  10.180  10.344
  561   2HE   LYS  30          1HE       LYS  30   1.686  11.656  10.742
  562   1HZ   LYS  30          1HZ       LYS  30   3.137   9.930  12.665
  563   2HZ   LYS  30          3HZ       LYS  30   3.666  11.435  12.082
  564   3HZ   LYS  30          2HZ       LYS  30   2.273  11.341  13.047
  565    H    LYS  31           H        LYS  31  -0.453   6.245   8.018
  566    HA   LYS  31           HA       LYS  31  -2.537   5.533   9.747
  567   1HB   LYS  31          2HB       LYS  31  -1.488   3.935   7.365
  568   2HB   LYS  31          1HB       LYS  31  -3.093   3.789   8.089
  569   1HG   LYS  31          2HG       LYS  31  -3.688   6.042   7.384
  570   2HG   LYS  31          1HG       LYS  31  -2.044   6.339   6.799
  571   1HD   LYS  31          2HD       LYS  31  -2.349   4.474   5.134
  572   2HD   LYS  31          1HD       LYS  31  -4.024   4.303   5.684
  573   1HE   LYS  31          2HE       LYS  31  -3.923   5.613   3.610
  574   2HE   LYS  31          1HE       LYS  31  -4.502   6.637   4.944
  575   1HZ   LYS  31          2HZ       LYS  31  -2.260   7.480   5.189
  576   2HZ   LYS  31          1HZ       LYS  31  -1.729   6.511   3.902
  577   3HZ   LYS  31          3HZ       LYS  31  -2.847   7.758   3.621
  578    H    CYS  32           H        CYS  32   0.286   3.646   8.777
  579    HA   CYS  32           HA       CYS  32  -0.224   1.293  10.237
  580   1HB   CYS  32          2HB       CYS  32   2.325   2.510   9.140
  581   2HB   CYS  32          1HB       CYS  32   2.291   0.924   9.938
  582    H    ASP  33           H        ASP  33   1.372   4.272  11.270
  583    HA   ASP  33           HA       ASP  33   2.450   3.278  13.722
  584   1HB   ASP  33          2HB       ASP  33   1.446   6.107  13.181
  585   2HB   ASP  33          1HB       ASP  33   2.609   5.608  14.421
  586    H    LYS  34           H        LYS  34   1.703   4.160  15.861
  587    HA   LYS  34           HA       LYS  34  -1.116   4.514  16.363
  588   1HB   LYS  34          2HB       LYS  34  -0.216   1.832  15.998
  589   2HB   LYS  34          1HB       LYS  34  -0.403   2.025  17.739
  590   1HG   LYS  34          2HG       LYS  34  -2.541   2.611  15.651
  591   2HG   LYS  34          1HG       LYS  34  -2.452   1.156  16.657
  592   1HD   LYS  34          2HD       LYS  34  -2.735   2.572  18.699
  593   2HD   LYS  34          1HD       LYS  34  -2.879   4.004  17.669
  594   1HE   LYS  34          2HE       LYS  34  -4.780   1.616  17.624
  595   2HE   LYS  34          1HE       LYS  34  -5.101   3.180  18.405
  596   1HZ   LYS  34          2HZ       LYS  34  -4.869   4.251  16.272
  597   2HZ   LYS  34          1HZ       LYS  34  -4.560   2.758  15.524
  598   3HZ   LYS  34          3HZ       LYS  34  -6.080   3.063  16.218
   
  No H/Q in entry =         598
  Start of MODEL           5
 Raw file had  604 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   0.794 -17.571   0.173
    2   2H    GLY   1          3H        GLY   1   1.618 -18.273  -1.136
    3   3H    GLY   1          2H        GLY   1   2.328 -18.260   0.409
    4   1HA   GLY   1          2HA       GLY   1   3.329 -16.608  -1.011
    5   2HA   GLY   1          1HA       GLY   1   1.726 -15.888  -1.255
    6    H    VAL   2           H        VAL   2   3.325 -14.139  -0.442
    7    HA   VAL   2           HA       VAL   2   3.965 -13.878   2.304
    8    HB   VAL   2           HB       VAL   2   4.992 -12.552   0.526
    9   1HG1  VAL   2          2HG1      VAL   2   3.084 -12.087  -0.927
   10   2HG1  VAL   2          1HG1      VAL   2   2.369 -11.024   0.308
   11   3HG1  VAL   2          3HG1      VAL   2   3.906 -10.579  -0.462
   12   1HG2  VAL   2          1HG2      VAL   2   5.199 -11.746   2.805
   13   2HG2  VAL   2          3HG2      VAL   2   5.069 -10.369   1.687
   14   3HG2  VAL   2          2HG2      VAL   2   3.668 -10.852   2.671
   15    H    ILE   3           H        ILE   3   1.160 -12.791   0.462
   16    HA   ILE   3           HA       ILE   3  -0.432 -12.585   2.957
   17    HB   ILE   3           HB       ILE   3  -0.232 -10.514   0.734
   18   1HG1  ILE   3          2HG1      ILE   3   0.418 -10.299   3.696
   19   2HG1  ILE   3          1HG1      ILE   3   1.585 -10.362   2.369
   20   1HG2  ILE   3          2HG2      ILE   3  -2.591 -10.748   1.384
   21   2HG2  ILE   3          1HG2      ILE   3  -2.150 -10.541   3.094
   22   3HG2  ILE   3          3HG2      ILE   3  -1.945  -9.197   1.947
   23   1HD1  ILE   3          2HD1      ILE   3   0.736  -8.201   1.496
   24   2HD1  ILE   3          1HD1      ILE   3  -0.430  -8.117   2.840
   25   3HD1  ILE   3          3HD1      ILE   3   1.314  -8.057   3.172
   26    HA   PRO   4           HA       PRO   4  -3.164 -14.892   0.235
   27   1HB   PRO   4          2HB       PRO   4  -5.289 -15.212   1.880
   28   2HB   PRO   4          1HB       PRO   4  -3.706 -15.957   2.284
   29   1HG   PRO   4          1HG       PRO   4  -4.848 -13.296   3.243
   30   2HG   PRO   4          2HG       PRO   4  -4.207 -14.649   4.239
   31   1HD   PRO   4          1HD       PRO   4  -2.634 -12.519   3.551
   32   2HD   PRO   4          2HD       PRO   4  -1.963 -14.183   3.643
   33    H    LYS   5           H        LYS   5  -5.287 -14.773  -0.720
   34    HA   LYS   5           HA       LYS   5  -5.795 -12.318  -1.974
   35   1HB   LYS   5          2HB       LYS   5  -6.383 -14.608  -2.834
   36   2HB   LYS   5          1HB       LYS   5  -7.727 -14.654  -1.681
   37   1HG   LYS   5          2HG       LYS   5  -8.766 -12.699  -2.779
   38   2HG   LYS   5          1HG       LYS   5  -7.388 -12.563  -3.879
   39   1HD   LYS   5          2HD       LYS   5  -9.234 -13.632  -5.050
   40   2HD   LYS   5          1HD       LYS   5  -7.925 -14.799  -4.829
   41   1HE   LYS   5          2HE       LYS   5 -10.092 -15.870  -4.422
   42   2HE   LYS   5          1HE       LYS   5  -9.163 -15.811  -2.908
   43   1HZ   LYS   5          1HZ       LYS   5 -11.280 -13.905  -3.726
   44   2HZ   LYS   5          3HZ       LYS   5 -11.444 -15.146  -2.579
   45   3HZ   LYS   5          2HZ       LYS   5 -10.391 -13.848  -2.281
   46    H    LYS   6           H        LYS   6  -7.503 -13.870   0.706
   47    HA   LYS   6           HA       LYS   6  -9.683 -12.187   1.071
   48   1HB   LYS   6          2HB       LYS   6  -9.330 -14.271   2.327
   49   2HB   LYS   6          1HB       LYS   6  -7.968 -13.544   3.188
   50   1HG   LYS   6          2HG       LYS   6  -9.979 -13.576   4.598
   51   2HG   LYS   6          1HG       LYS   6  -9.480 -11.913   4.262
   52   1HD   LYS   6          2HD       LYS   6 -11.235 -11.744   2.501
   53   2HD   LYS   6          1HD       LYS   6 -11.734 -13.406   2.844
   54   1HE   LYS   6          2HE       LYS   6 -11.849 -11.079   4.825
   55   2HE   LYS   6          1HE       LYS   6 -13.233 -11.741   3.927
   56   1HZ   LYS   6          2HZ       LYS   6 -12.859 -13.862   4.983
   57   2HZ   LYS   6          1HZ       LYS   6 -11.535 -13.234   5.840
   58   3HZ   LYS   6          3HZ       LYS   6 -13.100 -12.647   6.142
   59    H    ILE   7           H        ILE   7  -6.460 -11.826   2.544
   60    HA   ILE   7           HA       ILE   7  -6.936  -9.402   3.916
   61    HB   ILE   7           HB       ILE   7  -4.390 -10.594   2.797
   62   1HG1  ILE   7          2HG1      ILE   7  -5.474 -11.930   4.546
   63   2HG1  ILE   7          1HG1      ILE   7  -3.905 -11.301   5.064
   64   1HG2  ILE   7          1HG2      ILE   7  -4.613  -8.194   4.658
   65   2HG2  ILE   7          3HG2      ILE   7  -3.112  -9.066   4.290
   66   3HG2  ILE   7          2HG2      ILE   7  -3.972  -8.201   3.000
   67   1HD1  ILE   7          1HD1      ILE   7  -6.632 -10.172   5.860
   68   2HD1  ILE   7          3HD1      ILE   7  -5.574 -11.168   6.880
   69   3HD1  ILE   7          2HD1      ILE   7  -5.055  -9.541   6.393
   70    H    TRP   8           H        TRP   8  -5.601  -9.932   0.651
   71    HA   TRP   8           HA       TRP   8  -5.084  -7.266  -0.035
   72   1HB   TRP   8          2HB       TRP   8  -5.885  -9.590  -1.815
   73   2HB   TRP   8          1HB       TRP   8  -5.391  -7.999  -2.435
   74    HD1  TRP   8          1HD       TRP   8  -3.842 -11.305  -1.391
   75    HE1  TRP   8          1HE       TRP   8  -1.350 -11.112  -1.074
   76    HE3  TRP   8          3HE       TRP   8  -3.471  -6.211  -1.542
   77    HZ2  TRP   8          2HZ       TRP   8   0.568  -9.033  -0.941
   78    HZ3  TRP   8          3HZ       TRP   8  -1.235  -5.167  -1.367
   79    HH2  TRP   8          2HH       TRP   8   0.775  -6.573  -1.064
   80    H    GLU   9           H        GLU   9  -8.096  -9.072  -0.338
   81    HA   GLU   9           HA       GLU   9  -9.661  -7.160  -1.724
   82   1HB   GLU   9          2HB       GLU   9 -10.449  -9.296   0.304
   83   2HB   GLU   9          1HB       GLU   9 -11.604  -8.381  -0.678
   84   1HG   GLU   9          2HG       GLU   9 -10.764  -9.328  -2.714
   85   2HG   GLU   9          1HG       GLU   9  -9.375 -10.070  -1.905
   86    H    THR  10           H        THR  10  -9.268  -7.759   1.745
   87    HA   THR  10           HA       THR  10 -11.074  -5.812   2.725
   88    HB   THR  10           HB       THR  10  -8.545  -6.908   4.034
   89    HG1  THR  10           HG1      THR  10 -10.060  -8.518   3.349
   90   1HG2  THR  10          1HG2      THR  10 -11.056  -5.703   5.296
   91   2HG2  THR  10          3HG2      THR  10  -9.701  -6.440   6.180
   92   3HG2  THR  10          2HG2      THR  10  -9.449  -4.944   5.253
   93    H    VAL  11           H        VAL  11  -7.584  -5.642   2.147
   94    HA   VAL  11           HA       VAL  11  -7.288  -2.953   3.121
   95    HB   VAL  11           HB       VAL  11  -5.010  -3.064   2.351
   96   1HG1  VAL  11          1HG1      VAL  11  -5.905  -5.638   3.692
   97   2HG1  VAL  11          3HG1      VAL  11  -4.236  -5.033   3.645
   98   3HG1  VAL  11          2HG1      VAL  11  -5.495  -4.099   4.483
   99   1HG2  VAL  11          2HG2      VAL  11  -5.700  -5.688   1.008
  100   2HG2  VAL  11          1HG2      VAL  11  -5.231  -4.176   0.193
  101   3HG2  VAL  11          3HG2      VAL  11  -4.058  -5.040   1.213
  102    H    CYS  12           H        CYS  12  -8.022  -4.293   0.008
  103    HA   CYS  12           HA       CYS  12  -7.082  -2.782  -1.961
  104   1HB   CYS  12          2HB       CYS  12  -9.887  -3.743  -1.499
  105   2HB   CYS  12          1HB       CYS  12  -9.563  -2.722  -2.890
  106    HA   PRO  13           HA       PRO  13 -10.121   0.988  -1.629
  107   1HB   PRO  13          2HB       PRO  13 -11.330   1.446   0.819
  108   2HB   PRO  13          1HB       PRO  13 -12.078   0.482  -0.495
  109   1HG   PRO  13          1HG       PRO  13 -10.451  -0.506   1.891
  110   2HG   PRO  13          2HG       PRO  13 -12.056  -1.071   1.316
  111   1HD   PRO  13          1HD       PRO  13  -9.860  -2.425   0.604
  112   2HD   PRO  13          2HD       PRO  13 -11.126  -2.106  -0.627
  113    H    THR  14           H        THR  14  -8.659   0.217   1.516
  114    HA   THR  14           HA       THR  14  -7.766   2.788   2.263
  115    HB   THR  14           HB       THR  14  -6.529   0.065   2.886
  116    HG1  THR  14           HG1      THR  14  -7.893   0.230   4.744
  117   1HG2  THR  14          1HG2      THR  14  -6.321   2.695   4.423
  118   2HG2  THR  14          3HG2      THR  14  -5.678   1.121   4.951
  119   3HG2  THR  14          2HG2      THR  14  -5.007   1.914   3.512
  120    H    VAL  15           H        VAL  15  -6.026   0.175   0.611
  121    HA   VAL  15           HA       VAL  15  -3.682   1.804   0.079
  122    HB   VAL  15           HB       VAL  15  -2.755  -0.166  -0.932
  123   1HG1  VAL  15          1HG1      VAL  15  -4.273  -0.879   1.603
  124   2HG1  VAL  15          3HG1      VAL  15  -2.889  -1.779   0.945
  125   3HG1  VAL  15          2HG1      VAL  15  -2.678  -0.100   1.497
  126   1HG2  VAL  15          1HG2      VAL  15  -4.652  -1.008  -2.221
  127   2HG2  VAL  15          3HG2      VAL  15  -3.988  -2.292  -1.188
  128   3HG2  VAL  15          2HG2      VAL  15  -5.495  -1.467  -0.724
  129    H    GLU  16           H        GLU  16  -6.622   1.802  -1.364
  130    HA   GLU  16           HA       GLU  16  -6.164   1.466  -4.113
  131   1HB   GLU  16          2HB       GLU  16  -8.401   1.548  -3.140
  132   2HB   GLU  16          1HB       GLU  16  -8.198   3.239  -2.709
  133   1HG   GLU  16          2HG       GLU  16  -8.155   2.236  -5.585
  134   2HG   GLU  16          1HG       GLU  16  -9.628   2.767  -4.757
  135    HA   PRO  17           HA       PRO  17  -5.613   6.208  -4.715
  136   1HB   PRO  17          2HB       PRO  17  -4.833   7.754  -2.572
  137   2HB   PRO  17          1HB       PRO  17  -6.551   7.443  -2.978
  138   1HG   PRO  17          1HG       PRO  17  -4.781   5.965  -0.977
  139   2HG   PRO  17          2HG       PRO  17  -6.413   6.670  -0.722
  140   1HD   PRO  17          1HD       PRO  17  -6.152   4.051  -1.273
  141   2HD   PRO  17          2HD       PRO  17  -7.472   4.997  -2.041
  142    H    TRP  18           H        TRP  18  -3.577   4.879  -2.144
  143    HA   TRP  18           HA       TRP  18  -1.137   6.145  -2.841
  144   1HB   TRP  18          2HB       TRP  18  -1.393   3.419  -1.503
  145   2HB   TRP  18          1HB       TRP  18  -0.039   4.559  -1.384
  146    HD1  TRP  18          1HD       TRP  18  -1.925   7.284  -0.804
  147    HE1  TRP  18          1HE       TRP  18  -2.913   7.586   1.489
  148    HE3  TRP  18          3HE       TRP  18  -1.726   2.414   0.735
  149    HZ2  TRP  18          2HZ       TRP  18  -3.526   5.945   3.720
  150    HZ3  TRP  18          3HZ       TRP  18  -2.551   1.834   2.994
  151    HH2  TRP  18          2HH       TRP  18  -3.435   3.592   4.484
  152    H    ALA  19           H        ALA  19  -2.474   3.003  -3.732
  153    HA   ALA  19           HA       ALA  19  -0.248   1.799  -4.915
  154   1HB   ALA  19          1HB       ALA  19  -3.191   1.477  -5.643
  155   2HB   ALA  19          3HB       ALA  19  -1.883   0.358  -6.097
  156   3HB   ALA  19          2HB       ALA  19  -2.308   0.578  -4.390
  157    H    LYS  20           H        LYS  20  -2.825   3.642  -6.552
  158    HA   LYS  20           HA       LYS  20  -1.634   3.641  -9.143
  159   1HB   LYS  20          2HB       LYS  20  -3.593   5.609  -7.900
  160   2HB   LYS  20          1HB       LYS  20  -3.098   5.639  -9.595
  161   1HG   LYS  20          2HG       LYS  20  -5.172   4.533  -9.614
  162   2HG   LYS  20          1HG       LYS  20  -3.984   3.235  -9.757
  163   1HD   LYS  20          2HD       LYS  20  -4.232   2.745  -7.323
  164   2HD   LYS  20          1HD       LYS  20  -5.398   4.064  -7.199
  165   1HE   LYS  20          2HE       LYS  20  -5.760   1.559  -8.913
  166   2HE   LYS  20          1HE       LYS  20  -6.487   1.822  -7.310
  167   1HZ   LYS  20          1HZ       LYS  20  -6.914   3.518  -9.702
  168   2HZ   LYS  20          3HZ       LYS  20  -8.005   2.367  -9.094
  169   3HZ   LYS  20          2HZ       LYS  20  -7.621   3.742  -8.174
  170    H    LYS  21           H        LYS  21  -1.554   5.963  -6.492
  171    HA   LYS  21           HA       LYS  21   0.314   7.770  -7.838
  172   1HB   LYS  21          2HB       LYS  21  -0.807   7.768  -5.001
  173   2HB   LYS  21          1HB       LYS  21   0.101   9.089  -5.754
  174   1HG   LYS  21          2HG       LYS  21  -1.675   9.429  -7.406
  175   2HG   LYS  21          1HG       LYS  21  -2.579   8.045  -6.769
  176   1HD   LYS  21          2HD       LYS  21  -2.794   9.215  -4.575
  177   2HD   LYS  21          1HD       LYS  21  -1.936  10.611  -5.248
  178   1HE   LYS  21          2HE       LYS  21  -4.608   9.526  -6.259
  179   2HE   LYS  21          1HE       LYS  21  -4.399  10.958  -5.224
  180   1HZ   LYS  21          1HZ       LYS  21  -3.269  10.596  -7.939
  181   2HZ   LYS  21          3HZ       LYS  21  -4.614  11.556  -7.538
  182   3HZ   LYS  21          2HZ       LYS  21  -3.073  11.965  -6.952
  183    H    CYS  22           H        CYS  22   1.580   5.444  -7.810
  184    HA   CYS  22           HA       CYS  22   3.931   5.980  -6.189
  185   1HB   CYS  22          2HB       CYS  22   2.330   4.617  -4.698
  186   2HB   CYS  22          1HB       CYS  22   2.551   3.275  -5.836
  187    H    SER  23           H        SER  23   5.559   4.104  -6.556
  188    HA   SER  23           HA       SER  23   5.282   2.686  -9.110
  189   1HB   SER  23          2HB       SER  23   7.310   3.692 -10.095
  190   2HB   SER  23          1HB       SER  23   6.098   4.945  -9.772
  191    HG   SER  23           HG       SER  23   7.251   5.402  -7.802
  192    H    GLY  24           H        GLY  24   7.636   1.774  -9.611
  193   1HA   GLY  24          2HA       GLY  24   9.440   0.434  -8.930
  194   2HA   GLY  24          1HA       GLY  24   8.998   0.716  -7.239
  195    H    ASP  25           H        ASP  25   9.685  -1.666  -7.620
  196    HA   ASP  25           HA       ASP  25   8.033  -3.578  -8.861
  197   1HB   ASP  25          2HB       ASP  25   9.951  -3.867  -6.508
  198   2HB   ASP  25          1HB       ASP  25   9.210  -5.234  -7.365
  199    H    ILE  26           H        ILE  26   8.095  -2.485  -5.495
  200    HA   ILE  26           HA       ILE  26   6.229  -4.343  -4.442
  201    HB   ILE  26           HB       ILE  26   6.743  -1.516  -3.459
  202   1HG1  ILE  26          2HG1      ILE  26   8.905  -2.614  -3.716
  203   2HG1  ILE  26          1HG1      ILE  26   8.502  -2.411  -2.013
  204   1HG2  ILE  26          1HG2      ILE  26   5.780  -4.014  -2.000
  205   2HG2  ILE  26          3HG2      ILE  26   6.162  -2.460  -1.233
  206   3HG2  ILE  26          2HG2      ILE  26   4.813  -2.575  -2.385
  207   1HD1  ILE  26          1HD1      ILE  26   8.245  -5.011  -3.601
  208   2HD1  ILE  26          3HD1      ILE  26   9.524  -4.622  -2.429
  209   3HD1  ILE  26          2HD1      ILE  26   7.846  -4.812  -1.878
  210    H    ALA  27           H        ALA  27   5.778  -0.998  -5.562
  211    HA   ALA  27           HA       ALA  27   3.024  -0.690  -5.143
  212   1HB   ALA  27          2HB       ALA  27   4.506   1.160  -5.843
  213   2HB   ALA  27          1HB       ALA  27   4.721   0.401  -7.438
  214   3HB   ALA  27          3HB       ALA  27   3.124   1.016  -6.953
  215    H    THR  28           H        THR  28   4.723  -1.977  -7.961
  216    HA   THR  28           HA       THR  28   2.516  -2.541  -9.634
  217    HB   THR  28           HB       THR  28   5.219  -3.945  -9.447
  218    HG1  THR  28           HG1      THR  28   5.744  -2.431 -11.112
  219   1HG2  THR  28          1HG2      THR  28   3.253  -3.830 -11.781
  220   2HG2  THR  28          3HG2      THR  28   4.886  -4.535 -11.825
  221   3HG2  THR  28          2HG2      THR  28   3.627  -5.274 -10.811
  222    H    TYR  29           H        TYR  29   4.102  -4.501  -7.150
  223    HA   TYR  29           HA       TYR  29   2.797  -6.969  -7.646
  224   1HB   TYR  29          2HB       TYR  29   4.831  -6.637  -6.197
  225   2HB   TYR  29          1HB       TYR  29   3.805  -5.883  -4.976
  226    HD1  TYR  29          2HD       TYR  29   2.148  -8.648  -6.666
  227    HD2  TYR  29          1HD       TYR  29   4.920  -7.665  -3.529
  228    HE1  TYR  29          2HE       TYR  29   1.780 -10.850  -5.652
  229    HE2  TYR  29          1HE       TYR  29   4.536  -9.881  -2.508
  230    HH   TYR  29           HH       TYR  29   2.211 -12.201  -3.921
  231    H    ILE  30           H        ILE  30   2.143  -4.497  -5.189
  232    HA   ILE  30           HA       ILE  30  -0.206  -5.454  -4.041
  233    HB   ILE  30           HB       ILE  30   0.744  -2.613  -4.561
  234   1HG1  ILE  30          2HG1      ILE  30   0.898  -4.269  -2.014
  235   2HG1  ILE  30          1HG1      ILE  30   2.217  -4.131  -3.179
  236   1HG2  ILE  30          1HG2      ILE  30  -1.477  -3.501  -2.674
  237   2HG2  ILE  30          3HG2      ILE  30  -0.775  -1.870  -2.742
  238   3HG2  ILE  30          2HG2      ILE  30  -1.666  -2.507  -4.135
  239   1HD1  ILE  30          1HD1      ILE  30   0.987  -1.813  -1.616
  240   2HD1  ILE  30          3HD1      ILE  30   2.557  -2.582  -1.290
  241   3HD1  ILE  30          2HD1      ILE  30   2.309  -1.682  -2.800
  242    H    LYS  31           H        LYS  31   0.191  -3.452  -6.916
  243    HA   LYS  31           HA       LYS  31  -2.448  -2.797  -7.567
  244   1HB   LYS  31          2HB       LYS  31  -0.241  -2.101  -8.727
  245   2HB   LYS  31          1HB       LYS  31  -0.309  -3.647  -9.579
  246   1HG   LYS  31          2HG       LYS  31  -1.318  -2.368 -11.166
  247   2HG   LYS  31          1HG       LYS  31  -2.760  -2.790 -10.233
  248   1HD   LYS  31          2HD       LYS  31  -1.163  -0.201 -10.033
  249   2HD   LYS  31          1HD       LYS  31  -2.752  -0.401 -10.782
  250   1HE   LYS  31          2HE       LYS  31  -3.753  -0.924  -8.584
  251   2HE   LYS  31          1HE       LYS  31  -2.151  -0.787  -7.816
  252   1HZ   LYS  31          2HZ       LYS  31  -2.025   1.487  -8.550
  253   2HZ   LYS  31          1HZ       LYS  31  -3.552   1.366  -9.284
  254   3HZ   LYS  31          3HZ       LYS  31  -3.406   1.238  -7.596
  255    H    ARG  32           H        ARG  32  -0.562  -5.632  -8.529
  256    HA   ARG  32           HA       ARG  32  -2.583  -6.978 -10.014
  257   1HB   ARG  32          2HB       ARG  32  -0.146  -7.428 -10.214
  258   2HB   ARG  32          1HB       ARG  32  -0.143  -8.121  -8.586
  259   1HG   ARG  32          2HG       ARG  32  -1.726  -9.889  -9.334
  260   2HG   ARG  32          1HG       ARG  32  -1.721  -9.195 -10.965
  261   1HD   ARG  32          2HD       ARG  32   0.727  -9.657 -11.136
  262   2HD   ARG  32          1HD       ARG  32   0.690 -10.380  -9.510
  263    HE   ARG  32           HE       ARG  32  -1.288 -11.635 -11.122
  264   1HH1  ARG  32          2HH2      ARG  32   2.202 -11.400 -10.797
  265   2HH1  ARG  32          1HH2      ARG  32   2.487 -12.975 -11.459
  266   1HH2  ARG  32          2HH1      ARG  32  -0.895 -13.694 -11.990
  267   2HH2  ARG  32          1HH1      ARG  32   0.731 -14.275 -12.134
  268    H    GLU  33           H        GLU  33  -1.516  -7.312  -6.637
  269    HA   GLU  33           HA       GLU  33  -2.923  -9.677  -6.011
  270   1HB   GLU  33          2HB       GLU  33  -2.072  -7.382  -4.191
  271   2HB   GLU  33          1HB       GLU  33  -2.618  -8.982  -3.656
  272   1HG   GLU  33          2HG       GLU  33  -0.202  -8.654  -5.458
  273   2HG   GLU  33          1HG       GLU  33  -0.073  -8.576  -3.695
  274    H    CYS  34           H        CYS  34  -3.835  -6.328  -5.179
  275    HA   CYS  34           HA       CYS  34  -6.447  -6.932  -4.236
  276   1HB   CYS  34          2HB       CYS  34  -5.482  -4.812  -3.647
  277   2HB   CYS  34          1HB       CYS  34  -5.235  -4.373  -5.349
  278    H    GLY  35           H        GLY  35  -5.346  -5.760  -7.405
  279   1HA   GLY  35          2HA       GLY  35  -7.890  -5.392  -8.591
  280   2HA   GLY  35          1HA       GLY  35  -6.365  -5.559  -9.467
  281    H    LYS  36           H        LYS  36  -5.526  -7.872  -9.488
  282    HA   LYS  36           HA       LYS  36  -7.201  -9.574 -10.950
  283   1HB   LYS  36          2HB       LYS  36  -4.693  -9.660 -10.907
  284   2HB   LYS  36          1HB       LYS  36  -4.775 -10.372  -9.286
  285   1HG   LYS  36          2HG       LYS  36  -6.085 -12.294 -10.244
  286   2HG   LYS  36          1HG       LYS  36  -5.850 -11.603 -11.855
  287   1HD   LYS  36          2HD       LYS  36  -4.220 -13.377 -11.489
  288   2HD   LYS  36          1HD       LYS  36  -3.380 -11.821 -11.569
  289   1HE   LYS  36          2HE       LYS  36  -3.148 -11.763  -9.124
  290   2HE   LYS  36          1HE       LYS  36  -4.118 -13.246  -8.968
  291   1HZ   LYS  36          1HZ       LYS  36  -1.530 -13.003 -10.389
  292   2HZ   LYS  36          3HZ       LYS  36  -1.763 -13.693  -8.855
  293   3HZ   LYS  36          2HZ       LYS  36  -2.451 -14.419 -10.228
  294    H    LEU  37           H        LEU  37  -9.014 -10.391 -10.249
  295    HA   LEU  37           HA       LEU  37  -9.117 -12.274  -8.049
  296   1HB   LEU  37          2HB       LEU  37  -9.329  -9.909  -7.017
  297   2HB   LEU  37          1HB       LEU  37 -10.905  -9.821  -7.794
  298    HG   LEU  37           HG       LEU  37 -10.000 -11.825  -5.705
  299   1HD1  LEU  37          2HD1      LEU  37 -10.401  -9.621  -4.776
  300   2HD1  LEU  37          1HD1      LEU  37 -12.004  -9.547  -5.545
  301   3HD1  LEU  37          3HD1      LEU  37 -11.689 -10.736  -4.257
  302   1HD2  LEU  37          2HD2      LEU  37 -12.743 -11.654  -7.012
  303   2HD2  LEU  37          1HD2      LEU  37 -11.572 -12.989  -7.173
  304   3HD2  LEU  37          3HD2      LEU  37 -12.326 -12.655  -5.603
  305   1H    TRP   1          1H        TRP   1 -11.438  -0.896   8.891
  306   2H    TRP   1          3H        TRP   1 -12.708  -0.725   7.776
  307   3H    TRP   1          2H        TRP   1 -13.017  -1.350   9.327
  308    HA   TRP   1           HA       TRP   1 -13.033  -3.092   7.753
  309   1HB   TRP   1          2HB       TRP   1 -10.775  -3.652   6.617
  310   2HB   TRP   1          1HB       TRP   1 -11.798  -2.388   5.918
  311    HD1  TRP   1          1HD       TRP   1 -11.044   0.322   7.012
  312    HE1  TRP   1          1HE       TRP   1  -8.722   1.292   7.053
  313    HE3  TRP   1          3HE       TRP   1  -8.390  -4.050   6.750
  314    HZ2  TRP   1          2HZ       TRP   1  -6.072   0.329   6.939
  315    HZ3  TRP   1          3HZ       TRP   1  -5.920  -3.942   6.662
  316    HH2  TRP   1          2HH       TRP   1  -4.770  -1.750   6.716
  317    H    SER   2           H        SER   2  -9.729  -2.646   9.058
  318    HA   SER   2           HA       SER   2 -10.226  -4.118  11.464
  319   1HB   SER   2          2HB       SER   2 -10.402  -6.051   9.923
  320   2HB   SER   2          1HB       SER   2  -8.832  -5.635   9.206
  321    HG   SER   2           HG       SER   2  -9.277  -6.332  11.949
  322    H    THR   3           H        THR   3  -8.547  -4.219  12.817
  323    HA   THR   3           HA       THR   3  -6.189  -2.572  12.334
  324    HB   THR   3           HB       THR   3  -7.020  -4.246  14.749
  325    HG1  THR   3           HG1      THR   3  -7.283  -1.459  14.178
  326   1HG2  THR   3          1HG2      THR   3  -4.910  -2.043  14.537
  327   2HG2  THR   3          3HG2      THR   3  -5.430  -2.850  16.035
  328   3HG2  THR   3          2HG2      THR   3  -4.581  -3.774  14.779
  329    H    ILE   4           H        ILE   4  -6.900  -5.973  13.040
  330    HA   ILE   4           HA       ILE   4  -4.286  -7.017  13.081
  331    HB   ILE   4           HB       ILE   4  -6.881  -8.329  12.177
  332   1HG1  ILE   4          2HG1      ILE   4  -5.542  -8.309  14.911
  333   2HG1  ILE   4          1HG1      ILE   4  -6.978  -7.379  14.464
  334   1HG2  ILE   4          2HG2      ILE   4  -4.957  -9.649  11.403
  335   2HG2  ILE   4          1HG2      ILE   4  -4.263  -9.634  13.042
  336   3HG2  ILE   4          3HG2      ILE   4  -5.787 -10.495  12.720
  337   1HD1  ILE   4          2HD1      ILE   4  -8.230  -9.489  14.063
  338   2HD1  ILE   4          1HD1      ILE   4  -6.794 -10.426  14.538
  339   3HD1  ILE   4          3HD1      ILE   4  -7.611  -9.390  15.727
  340    H    VAL   5           H        VAL   5  -6.596  -6.881  10.387
  341    HA   VAL   5           HA       VAL   5  -4.945  -7.888   8.332
  342    HB   VAL   5           HB       VAL   5  -7.162  -5.815   8.125
  343   1HG1  VAL   5          2HG1      VAL   5  -5.833  -5.906   6.055
  344   2HG1  VAL   5          1HG1      VAL   5  -6.041  -7.669   5.989
  345   3HG1  VAL   5          3HG1      VAL   5  -7.446  -6.600   5.802
  346   1HG2  VAL   5          1HG2      VAL   5  -7.959  -7.865   9.248
  347   2HG2  VAL   5          3HG2      VAL   5  -8.654  -7.737   7.618
  348   3HG2  VAL   5          2HG2      VAL   5  -7.308  -8.856   7.927
  349    H    LYS   6           H        LYS   6  -5.367  -4.587   9.549
  350    HA   LYS   6           HA       LYS   6  -3.810  -3.181   7.676
  351   1HB   LYS   6          2HB       LYS   6  -5.233  -2.121   9.459
  352   2HB   LYS   6          1HB       LYS   6  -4.019  -2.587  10.660
  353   1HG   LYS   6          2HG       LYS   6  -2.316  -1.236   9.405
  354   2HG   LYS   6          1HG       LYS   6  -3.598  -0.691   8.315
  355   1HD   LYS   6          2HD       LYS   6  -3.205   1.033   9.960
  356   2HD   LYS   6          1HD       LYS   6  -4.787   0.307  10.291
  357   1HE   LYS   6          2HE       LYS   6  -3.829  -1.028  12.132
  358   2HE   LYS   6          1HE       LYS   6  -2.204  -0.400  11.768
  359   1HZ   LYS   6          1HZ       LYS   6  -4.548   1.218  12.584
  360   2HZ   LYS   6          3HZ       LYS   6  -3.243   0.783  13.580
  361   3HZ   LYS   6          2HZ       LYS   6  -2.991   1.809  12.250
  362    H    LEU   7           H        LEU   7  -2.789  -4.724  10.711
  363    HA   LEU   7           HA       LEU   7  -0.060  -4.040  10.655
  364   1HB   LEU   7          2HB       LEU   7  -1.393  -6.554  11.749
  365   2HB   LEU   7          1HB       LEU   7   0.267  -6.058  12.098
  366    HG   LEU   7           HG       LEU   7  -2.218  -4.449  12.791
  367   1HD1  LEU   7          2HD1      LEU   7  -2.121  -6.494  14.130
  368   2HD1  LEU   7          1HD1      LEU   7  -0.440  -6.139  14.591
  369   3HD1  LEU   7          3HD1      LEU   7  -1.756  -5.076  15.141
  370   1HD2  LEU   7          2HD2      LEU   7   0.688  -3.972  13.555
  371   2HD2  LEU   7          1HD2      LEU   7  -0.292  -2.979  12.448
  372   3HD2  LEU   7          3HD2      LEU   7  -0.709  -3.061  14.171
  373    H    THR   8           H        THR   8  -1.760  -6.732   9.146
  374    HA   THR   8           HA       THR   8   0.459  -8.248   8.255
  375    HB   THR   8           HB       THR   8  -2.308  -7.978   6.993
  376    HG1  THR   8           HG1      THR   8  -2.333  -8.597   9.210
  377   1HG2  THR   8          1HG2      THR   8  -0.290 -10.257   6.790
  378   2HG2  THR   8          3HG2      THR   8  -1.945 -10.264   6.138
  379   3HG2  THR   8          2HG2      THR   8  -0.735  -9.144   5.476
  380    H    ILE   9           H        ILE   9  -1.479  -5.815   6.538
  381    HA   ILE   9           HA       ILE   9   0.043  -6.029   4.099
  382    HB   ILE   9           HB       ILE   9  -2.353  -5.552   4.143
  383   1HG1  ILE   9          2HG1      ILE   9  -2.432  -3.726   2.469
  384   2HG1  ILE   9          1HG1      ILE   9  -0.753  -3.329   2.846
  385   1HG2  ILE   9          2HG2      ILE   9  -2.555  -4.130   6.108
  386   2HG2  ILE   9          1HG2      ILE   9  -1.632  -2.835   5.313
  387   3HG2  ILE   9          3HG2      ILE   9  -3.230  -3.298   4.694
  388   1HD1  ILE   9          1HD1      ILE   9  -1.727  -5.981   1.696
  389   2HD1  ILE   9          3HD1      ILE   9  -0.903  -4.685   0.798
  390   3HD1  ILE   9          2HD1      ILE   9  -0.032  -5.573   2.063
  391    H    CYS  10           H        CYS  10   0.019  -3.805   6.779
  392    HA   CYS  10           HA       CYS  10   1.113  -1.491   5.868
  393   1HB   CYS  10          2HB       CYS  10   1.296  -2.914   8.499
  394   2HB   CYS  10          1HB       CYS  10   2.277  -1.460   8.251
  395    HA   PRO  11           HA       PRO  11   5.751  -2.901   6.502
  396   1HB   PRO  11          2HB       PRO  11   6.189  -5.583   5.853
  397   2HB   PRO  11          1HB       PRO  11   6.044  -4.946   7.522
  398   1HG   PRO  11          1HG       PRO  11   3.886  -6.185   5.763
  399   2HG   PRO  11          2HG       PRO  11   4.293  -6.554   7.474
  400   1HD   PRO  11          1HD       PRO  11   2.249  -4.921   6.957
  401   2HD   PRO  11          2HD       PRO  11   3.409  -4.459   8.246
  402    H    THR  12           H        THR  12   3.837  -4.819   4.205
  403    HA   THR  12           HA       THR  12   5.466  -4.544   1.909
  404    HB   THR  12           HB       THR  12   2.419  -4.745   2.000
  405    HG1  THR  12           HG1      THR  12   4.427  -6.780   2.022
  406   1HG2  THR  12          1HG2      THR  12   4.409  -5.620  -0.144
  407   2HG2  THR  12          3HG2      THR  12   2.652  -5.895  -0.175
  408   3HG2  THR  12          2HG2      THR  12   3.294  -4.240  -0.264
  409    H    LEU  13           H        LEU  13   2.833  -2.518   3.145
  410    HA   LEU  13           HA       LEU  13   2.709  -0.657   1.000
  411   1HB   LEU  13          2HB       LEU  13   1.996  -0.215   3.929
  412   2HB   LEU  13          1HB       LEU  13   1.502   0.803   2.569
  413    HG   LEU  13           HG       LEU  13   0.737  -2.091   3.005
  414   1HD1  LEU  13          1HD1      LEU  13  -0.924   0.445   3.245
  415   2HD1  LEU  13          3HD1      LEU  13  -1.560  -1.213   3.361
  416   3HD1  LEU  13          2HD1      LEU  13  -0.409  -0.617   4.575
  417   1HD2  LEU  13          2HD2      LEU  13  -0.125  -0.203   0.777
  418   2HD2  LEU  13          1HD2      LEU  13   0.903  -1.646   0.606
  419   3HD2  LEU  13          3HD2      LEU  13  -0.795  -1.825   1.076
  420    H    LYS  14           H        LYS  14   4.745  -0.774   3.859
  421    HA   LYS  14           HA       LYS  14   5.852   1.863   3.581
  422   1HB   LYS  14          2HB       LYS  14   6.830  -0.611   5.047
  423   2HB   LYS  14          1HB       LYS  14   7.693   0.929   5.092
  424   1HG   LYS  14          2HG       LYS  14   4.878   0.357   6.103
  425   2HG   LYS  14          1HG       LYS  14   6.305   0.703   7.079
  426   1HD   LYS  14          2HD       LYS  14   4.860   2.654   5.232
  427   2HD   LYS  14          1HD       LYS  14   4.784   2.628   6.993
  428   1HE   LYS  14          2HE       LYS  14   6.244   4.423   6.425
  429   2HE   LYS  14          1HE       LYS  14   7.300   3.117   7.002
  430   1HZ   LYS  14          2HZ       LYS  14   7.710   2.506   4.703
  431   2HZ   LYS  14          1HZ       LYS  14   6.711   3.771   4.174
  432   3HZ   LYS  14          3HZ       LYS  14   8.150   4.116   5.006
  433    H    SER  15           H        SER  15   6.858  -1.344   2.503
  434    HA   SER  15           HA       SER  15   9.299  -0.657   1.258
  435   1HB   SER  15          2HB       SER  15   7.288  -2.810   0.443
  436   2HB   SER  15          1HB       SER  15   8.990  -2.725  -0.066
  437    HG   SER  15           HG       SER  15   8.077  -2.939   2.634
  438    H    MET  16           H        MET  16   5.990  -0.669   0.044
  439    HA   MET  16           HA       MET  16   6.404   0.289  -2.594
  440   1HB   MET  16          2HB       MET  16   4.270  -0.674  -1.786
  441   2HB   MET  16          1HB       MET  16   4.065   0.673  -0.667
  442   1HG   MET  16          2HG       MET  16   3.910   2.235  -2.585
  443   2HG   MET  16          1HG       MET  16   4.083   0.874  -3.704
  444   1HE   MET  16          1HE       MET  16   1.815   2.713  -1.072
  445   2HE   MET  16          3HE       MET  16   0.434   1.604  -0.911
  446   3HE   MET  16          2HE       MET  16   2.030   1.131  -0.284
  447    H    ALA  17           H        ALA  17   5.881   1.917   0.474
  448    HA   ALA  17           HA       ALA  17   5.533   4.580  -0.365
  449   1HB   ALA  17          1HB       ALA  17   6.706   3.521   2.246
  450   2HB   ALA  17          3HB       ALA  17   6.137   5.173   1.973
  451   3HB   ALA  17          2HB       ALA  17   4.987   3.820   1.905
  452    H    LYS  18           H        LYS  18   8.454   2.725   0.142
  453    HA   LYS  18           HA       LYS  18  10.471   4.580   0.394
  454   1HB   LYS  18          2HB       LYS  18  10.461   2.123  -1.389
  455   2HB   LYS  18          1HB       LYS  18  11.920   2.999  -0.901
  456   1HG   LYS  18          2HG       LYS  18  11.238   2.524   1.526
  457   2HG   LYS  18          1HG       LYS  18  10.024   1.420   0.875
  458   1HD   LYS  18          2HD       LYS  18  13.017   1.180   0.375
  459   2HD   LYS  18          1HD       LYS  18  12.147   0.314   1.638
  460   1HE   LYS  18          2HE       LYS  18  12.538  -1.187  -0.225
  461   2HE   LYS  18          1HE       LYS  18  10.800  -0.864  -0.119
  462   1HZ   LYS  18          1HZ       LYS  18  12.691   0.490  -1.951
  463   2HZ   LYS  18          3HZ       LYS  18  11.626  -0.764  -2.375
  464   3HZ   LYS  18          2HZ       LYS  18  11.011   0.735  -1.878
  465    H    LYS  19           H        LYS  19   8.824   3.665  -2.604
  466    HA   LYS  19           HA       LYS  19   9.851   6.128  -3.904
  467   1HB   LYS  19          2HB       LYS  19  11.276   4.151  -4.540
  468   2HB   LYS  19          1HB       LYS  19   9.838   3.381  -5.230
  469   1HG   LYS  19          2HG       LYS  19   9.601   5.322  -6.810
  470   2HG   LYS  19          1HG       LYS  19  11.078   6.019  -6.137
  471   1HD   LYS  19          2HD       LYS  19  10.887   3.326  -7.556
  472   2HD   LYS  19          1HD       LYS  19  11.461   4.831  -8.288
  473   1HE   LYS  19          2HE       LYS  19  13.343   4.908  -6.651
  474   2HE   LYS  19          1HE       LYS  19  12.775   3.378  -5.943
  475   1HZ   LYS  19          1HZ       LYS  19  13.608   3.785  -8.755
  476   2HZ   LYS  19          3HZ       LYS  19  14.520   3.020  -7.545
  477   3HZ   LYS  19          2HZ       LYS  19  13.065   2.326  -8.077
  478    H    CYS  20           H        CYS  20   7.517   6.379  -2.955
  479    HA   CYS  20           HA       CYS  20   5.606   5.934  -5.180
  480   1HB   CYS  20          2HB       CYS  20   5.166   6.972  -2.358
  481   2HB   CYS  20          1HB       CYS  20   3.910   6.918  -3.602
  482    H    GLU  21           H        GLU  21   4.097   7.792  -5.566
  483    HA   GLU  21           HA       GLU  21   5.720  10.034  -6.509
  484   1HB   GLU  21          2HB       GLU  21   2.707   9.735  -6.772
  485   2HB   GLU  21          1HB       GLU  21   3.807  10.655  -7.803
  486   1HG   GLU  21          2HG       GLU  21   3.437   7.640  -7.664
  487   2HG   GLU  21          1HG       GLU  21   3.197   8.710  -9.054
  488    H    GLY  22           H        GLY  22   5.218  12.203  -6.157
  489   1HA   GLY  22          2HA       GLY  22   4.830  14.107  -4.922
  490   2HA   GLY  22          1HA       GLY  22   3.319  13.335  -4.427
  491    H    SER  23           H        SER  23   3.174  12.355  -2.478
  492    HA   SER  23           HA       SER  23   5.413  11.770  -0.742
  493   1HB   SER  23          2HB       SER  23   5.182  14.286  -0.489
  494   2HB   SER  23          1HB       SER  23   3.525  14.031   0.099
  495    HG   SER  23           HG       SER  23   4.441  12.745   1.807
  496    H    ILE  24           H        ILE  24   3.520  10.231  -1.830
  497    HA   ILE  24           HA       ILE  24   1.192   9.725  -0.262
  498    HB   ILE  24           HB       ILE  24   2.755   8.198  -2.332
  499   1HG1  ILE  24          2HG1      ILE  24   1.483  10.104  -3.129
  500   2HG1  ILE  24          1HG1      ILE  24   0.818   8.595  -3.756
  501   1HG2  ILE  24          1HG2      ILE  24   0.244   7.145  -0.996
  502   2HG2  ILE  24          3HG2      ILE  24   0.981   6.491  -2.480
  503   3HG2  ILE  24          2HG2      ILE  24   1.867   6.419  -0.944
  504   1HD1  ILE  24          2HD1      ILE  24  -1.020   8.697  -2.094
  505   2HD1  ILE  24          1HD1      ILE  24  -0.357  10.222  -1.457
  506   3HD1  ILE  24          3HD1      ILE  24  -0.978  10.148  -3.119
  507    H    ALA  25           H        ALA  25   4.470   8.549  -0.105
  508    HA   ALA  25           HA       ALA  25   4.436   6.377   1.561
  509   1HB   ALA  25          2HB       ALA  25   6.486   7.419   0.650
  510   2HB   ALA  25          1HB       ALA  25   6.285   8.807   1.741
  511   3HB   ALA  25          3HB       ALA  25   6.639   7.198   2.411
  512    H    THR  26           H        THR  26   4.141   9.751   2.536
  513    HA   THR  26           HA       THR  26   4.187   9.574   5.322
  514    HB   THR  26           HB       THR  26   2.520  11.425   3.559
  515    HG1  THR  26           HG1      THR  26   4.379  12.779   3.788
  516   1HG2  THR  26          1HG2      THR  26   3.490  11.839   6.425
  517   2HG2  THR  26          3HG2      THR  26   2.664  13.051   5.418
  518   3HG2  THR  26          2HG2      THR  26   1.801  11.582   5.928
  519    H    MET  27           H        MET  27   1.428   9.244   3.130
  520    HA   MET  27           HA       MET  27  -0.645   9.067   5.038
  521   1HB   MET  27          2HB       MET  27  -0.490   7.866   2.245
  522   2HB   MET  27          1HB       MET  27  -1.950   7.925   3.240
  523   1HG   MET  27          2HG       MET  27  -2.023   9.723   1.626
  524   2HG   MET  27          1HG       MET  27  -1.850  10.404   3.248
  525   1HE   MET  27          1HE       MET  27  -1.240  12.741   2.099
  526   2HE   MET  27          3HE       MET  27   0.083  12.947   0.927
  527   3HE   MET  27          2HE       MET  27  -1.359  12.002   0.485
  528    H    ILE  28           H        ILE  28   1.178   6.450   3.439
  529    HA   ILE  28           HA       ILE  28  -0.125   4.246   4.627
  530    HB   ILE  28           HB       ILE  28   2.742   4.581   3.692
  531   1HG1  ILE  28          2HG1      ILE  28   2.019   3.008   1.856
  532   2HG1  ILE  28          1HG1      ILE  28   0.357   3.201   2.425
  533   1HG2  ILE  28          2HG2      ILE  28   2.773   2.819   5.388
  534   2HG2  ILE  28          1HG2      ILE  28   1.415   1.995   4.591
  535   3HG2  ILE  28          3HG2      ILE  28   2.992   2.121   3.774
  536   1HD1  ILE  28          1HD1      ILE  28   2.145   5.438   1.382
  537   2HD1  ILE  28          3HD1      ILE  28   0.841   4.640   0.479
  538   3HD1  ILE  28          2HD1      ILE  28   0.448   5.625   1.899
  539    H    LYS  29           H        LYS  29   2.804   5.944   5.644
  540    HA   LYS  29           HA       LYS  29   3.402   4.559   8.000
  541   1HB   LYS  29          2HB       LYS  29   4.886   6.201   6.862
  542   2HB   LYS  29          1HB       LYS  29   3.821   7.514   7.370
  543   1HG   LYS  29          2HG       LYS  29   5.791   7.409   8.814
  544   2HG   LYS  29          1HG       LYS  29   4.332   7.036   9.743
  545   1HD   LYS  29          2HD       LYS  29   4.851   4.630   9.652
  546   2HD   LYS  29          1HD       LYS  29   6.255   4.948   8.620
  547   1HE   LYS  29          2HE       LYS  29   6.971   4.550  10.938
  548   2HE   LYS  29          1HE       LYS  29   7.320   6.230  10.473
  549   1HZ   LYS  29          2HZ       LYS  29   5.283   6.902  11.566
  550   2HZ   LYS  29          1HZ       LYS  29   4.971   5.297  12.020
  551   3HZ   LYS  29          3HZ       LYS  29   6.324   6.108  12.649
  552    H    LYS  30           H        LYS  30   1.216   7.269   7.477
  553    HA   LYS  30           HA       LYS  30   0.716   7.979  10.189
  554   1HB   LYS  30          2HB       LYS  30   0.248   9.390   8.148
  555   2HB   LYS  30          1HB       LYS  30  -1.101   8.318   7.754
  556   1HG   LYS  30          2HG       LYS  30  -2.021  10.249   8.837
  557   2HG   LYS  30          1HG       LYS  30  -2.134   8.909   9.988
  558   1HD   LYS  30          2HD       LYS  30  -0.038   9.746  11.101
  559   2HD   LYS  30          1HD       LYS  30  -0.021  11.109   9.980
  560   1HE   LYS  30          2HE       LYS  30  -0.972  11.801  12.135
  561   2HE   LYS  30          1HE       LYS  30  -2.215  11.878  10.867
  562   1HZ   LYS  30          2HZ       LYS  30  -3.015   9.728  11.582
  563   2HZ   LYS  30          1HZ       LYS  30  -1.831   9.665  12.800
  564   3HZ   LYS  30          3HZ       LYS  30  -3.050  10.845  12.862
  565    H    LYS  31           H        LYS  31  -1.213   6.104   7.878
  566    HA   LYS  31           HA       LYS  31  -3.354   5.384   9.566
  567   1HB   LYS  31          2HB       LYS  31  -2.188   4.038   7.101
  568   2HB   LYS  31          1HB       LYS  31  -3.703   3.523   7.841
  569   1HG   LYS  31          2HG       LYS  31  -3.084   6.242   6.604
  570   2HG   LYS  31          1HG       LYS  31  -4.115   4.991   5.912
  571   1HD   LYS  31          2HD       LYS  31  -4.696   6.575   8.453
  572   2HD   LYS  31          1HD       LYS  31  -5.402   6.869   6.865
  573   1HE   LYS  31          2HE       LYS  31  -7.065   5.714   8.123
  574   2HE   LYS  31          1HE       LYS  31  -6.415   4.531   6.972
  575   1HZ   LYS  31          1HZ       LYS  31  -5.617   4.802   9.813
  576   2HZ   LYS  31          3HZ       LYS  31  -6.648   3.616   9.173
  577   3HZ   LYS  31          2HZ       LYS  31  -5.015   3.653   8.719
  578    H    CYS  32           H        CYS  32  -0.536   3.470   8.613
  579    HA   CYS  32           HA       CYS  32  -0.980   1.144  10.110
  580   1HB   CYS  32          2HB       CYS  32   1.584   2.508   9.189
  581   2HB   CYS  32          1HB       CYS  32   1.553   0.891   9.917
  582    H    ASP  33           H        ASP  33   1.051   3.924  10.955
  583    HA   ASP  33           HA       ASP  33   0.462   3.831  13.771
  584   1HB   ASP  33          2HB       ASP  33   2.019   1.838  13.521
  585   2HB   ASP  33          1HB       ASP  33   3.276   2.950  12.959
  586    H    LYS  34           H        LYS  34   0.041   5.961  13.467
  587    HA   LYS  34           HA       LYS  34   1.719   7.863  12.197
  588   1HB   LYS  34          2HB       LYS  34   0.272   9.544  13.265
  589   2HB   LYS  34          1HB       LYS  34  -0.649   8.242  12.514
  590   1HG   LYS  34          2HG       LYS  34  -1.787   8.653  14.518
  591   2HG   LYS  34          1HG       LYS  34  -0.833   7.208  14.863
  592   1HD   LYS  34          2HD       LYS  34   0.841   8.589  16.075
  593   2HD   LYS  34          1HD       LYS  34  -0.078  10.048  15.682
  594   1HE   LYS  34          2HE       LYS  34  -0.536   9.345  17.988
  595   2HE   LYS  34          1HE       LYS  34  -2.005   9.140  17.007
  596   1HZ   LYS  34          2HZ       LYS  34  -1.453   6.816  16.748
  597   2HZ   LYS  34          1HZ       LYS  34  -0.054   7.015  17.690
  598   3HZ   LYS  34          3HZ       LYS  34  -1.588   7.226  18.390
   
  No H/Q in entry =         598
  Start of MODEL           6
 Raw file had  604 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -0.048 -17.496   2.622
    2   2H    GLY   1          3H        GLY   1   0.791 -18.591   1.630
    3   3H    GLY   1          2H        GLY   1   1.405 -18.188   3.161
    4   1HA   GLY   1          2HA       GLY   1   2.625 -17.072   1.426
    5   2HA   GLY   1          1HA       GLY   1   1.106 -16.351   0.861
    6    H    VAL   2           H        VAL   2   2.799 -14.549   1.286
    7    HA   VAL   2           HA       VAL   2   3.279 -13.562   3.897
    8    HB   VAL   2           HB       VAL   2   4.537 -12.869   1.921
    9   1HG1  VAL   2          2HG1      VAL   2   2.790 -12.707   0.223
   10   2HG1  VAL   2          1HG1      VAL   2   2.083 -11.296   1.045
   11   3HG1  VAL   2          3HG1      VAL   2   3.703 -11.188   0.329
   12   1HG2  VAL   2          1HG2      VAL   2   4.663 -11.468   3.895
   13   2HG2  VAL   2          3HG2      VAL   2   4.730 -10.457   2.435
   14   3HG2  VAL   2          2HG2      VAL   2   3.229 -10.548   3.383
   15    H    ILE   3           H        ILE   3   0.719 -12.837   1.576
   16    HA   ILE   3           HA       ILE   3  -1.039 -11.902   3.767
   17    HB   ILE   3           HB       ILE   3  -0.516 -10.432   1.156
   18   1HG1  ILE   3          2HG1      ILE   3   0.093  -9.649   4.030
   19   2HG1  ILE   3          1HG1      ILE   3   1.253 -10.030   2.758
   20   1HG2  ILE   3          2HG2      ILE   3  -2.906 -10.319   1.688
   21   2HG2  ILE   3          1HG2      ILE   3  -2.533  -9.772   3.337
   22   3HG2  ILE   3          3HG2      ILE   3  -2.155  -8.735   1.941
   23   1HD1  ILE   3          2HD1      ILE   3   0.578  -8.023   1.487
   24   2HD1  ILE   3          1HD1      ILE   3  -0.608  -7.618   2.752
   25   3HD1  ILE   3          3HD1      ILE   3   1.128  -7.605   3.122
   26    HA   PRO   4           HA       PRO   4  -3.616 -14.707   1.412
   27   1HB   PRO   4          2HB       PRO   4  -5.876 -14.609   2.899
   28   2HB   PRO   4          1HB       PRO   4  -4.355 -15.261   3.596
   29   1HG   PRO   4          1HG       PRO   4  -5.474 -12.432   3.808
   30   2HG   PRO   4          2HG       PRO   4  -4.974 -13.525   5.144
   31   1HD   PRO   4          1HD       PRO   4  -3.264 -11.646   4.136
   32   2HD   PRO   4          2HD       PRO   4  -2.667 -13.259   4.655
   33    H    LYS   5           H        LYS   5  -5.735 -14.796   0.389
   34    HA   LYS   5           HA       LYS   5  -6.118 -12.775  -1.520
   35   1HB   LYS   5          2HB       LYS   5  -6.794 -15.210  -1.661
   36   2HB   LYS   5          1HB       LYS   5  -8.153 -14.847  -0.595
   37   1HG   LYS   5          2HG       LYS   5  -8.899 -13.122  -2.348
   38   2HG   LYS   5          1HG       LYS   5  -7.632 -13.763  -3.399
   39   1HD   LYS   5          2HD       LYS   5  -9.476 -14.949  -4.152
   40   2HD   LYS   5          1HD       LYS   5  -8.795 -16.083  -2.983
   41   1HE   LYS   5          2HE       LYS   5 -11.194 -14.242  -2.554
   42   2HE   LYS   5          1HE       LYS   5 -11.220 -16.006  -2.720
   43   1HZ   LYS   5          2HZ       LYS   5  -9.923 -16.180  -0.708
   44   2HZ   LYS   5          1HZ       LYS   5  -9.911 -14.489  -0.543
   45   3HZ   LYS   5          3HZ       LYS   5 -11.375 -15.342  -0.430
   46    H    LYS   6           H        LYS   6  -8.028 -13.550   1.363
   47    HA   LYS   6           HA       LYS   6 -10.111 -11.699   1.076
   48   1HB   LYS   6          2HB       LYS   6 -10.122 -13.558   2.702
   49   2HB   LYS   6          1HB       LYS   6  -8.870 -12.744   3.652
   50   1HG   LYS   6          2HG       LYS   6 -11.111 -12.416   4.639
   51   2HG   LYS   6          1HG       LYS   6 -10.400 -10.875   4.132
   52   1HD   LYS   6          2HD       LYS   6 -11.786 -10.933   2.057
   53   2HD   LYS   6          1HD       LYS   6 -12.496 -12.469   2.584
   54   1HE   LYS   6          2HE       LYS   6 -13.465 -11.336   4.572
   55   2HE   LYS   6          1HE       LYS   6 -12.737  -9.797   4.048
   56   1HZ   LYS   6          2HZ       LYS   6 -13.997  -9.944   2.010
   57   2HZ   LYS   6          1HZ       LYS   6 -14.694 -11.409   2.514
   58   3HZ   LYS   6          3HZ       LYS   6 -15.029  -9.973   3.360
   59    H    ILE   7           H        ILE   7  -7.021 -11.295   2.810
   60    HA   ILE   7           HA       ILE   7  -7.482  -8.647   3.703
   61    HB   ILE   7           HB       ILE   7  -4.903 -10.122   3.128
   62   1HG1  ILE   7          2HG1      ILE   7  -6.285 -11.030   4.961
   63   2HG1  ILE   7          1HG1      ILE   7  -4.737 -10.400   5.534
   64   1HG2  ILE   7          1HG2      ILE   7  -5.216  -7.398   4.458
   65   2HG2  ILE   7          3HG2      ILE   7  -3.723  -8.361   4.435
   66   3HG2  ILE   7          2HG2      ILE   7  -4.397  -7.741   2.918
   67   1HD1  ILE   7          2HD1      ILE   7  -5.897  -8.339   6.339
   68   2HD1  ILE   7          1HD1      ILE   7  -7.447  -8.998   5.762
   69   3HD1  ILE   7          3HD1      ILE   7  -6.569  -9.811   7.076
   70    H    TRP   8           H        TRP   8  -5.956  -9.805   0.697
   71    HA   TRP   8           HA       TRP   8  -5.259  -7.316  -0.392
   72   1HB   TRP   8          2HB       TRP   8  -6.065  -9.909  -1.755
   73   2HB   TRP   8          1HB       TRP   8  -5.530  -8.473  -2.656
   74    HD1  TRP   8          1HD       TRP   8  -4.005 -11.575  -1.290
   75    HE1  TRP   8          1HE       TRP   8  -1.538 -11.333  -0.824
   76    HE3  TRP   8          3HE       TRP   8  -3.681  -6.476  -1.581
   77    HZ2  TRP   8          2HZ       TRP   8   0.328  -9.218  -0.589
   78    HZ3  TRP   8          3HZ       TRP   8  -1.482  -5.391  -1.256
   79    HH2  TRP   8          2HH       TRP   8   0.517  -6.761  -0.770
   80    H    GLU   9           H        GLU   9  -8.347  -9.008  -0.545
   81    HA   GLU   9           HA       GLU   9  -9.781  -7.192  -2.187
   82   1HB   GLU   9          2HB       GLU   9 -10.747  -9.010   0.065
   83   2HB   GLU   9          1HB       GLU   9 -11.801  -8.181  -1.083
   84   1HG   GLU   9          2HG       GLU   9 -10.947  -9.434  -2.935
   85   2HG   GLU   9          1HG       GLU   9  -9.606 -10.094  -1.986
   86    H    THR  10           H        THR  10  -9.375  -7.351   1.322
   87    HA   THR  10           HA       THR  10 -11.117  -5.249   2.071
   88    HB   THR  10           HB       THR  10  -8.631  -6.340   3.460
   89    HG1  THR  10           HG1      THR  10 -10.328  -7.859   3.027
   90   1HG2  THR  10          1HG2      THR  10 -10.944  -4.745   4.653
   91   2HG2  THR  10          3HG2      THR  10  -9.625  -5.515   5.567
   92   3HG2  THR  10          2HG2      THR  10  -9.271  -4.166   4.463
   93    H    VAL  11           H        VAL  11  -7.643  -5.258   1.416
   94    HA   VAL  11           HA       VAL  11  -7.214  -2.521   2.179
   95    HB   VAL  11           HB       VAL  11  -4.958  -2.787   1.345
   96   1HG1  VAL  11          1HG1      VAL  11  -5.914  -5.168   2.980
   97   2HG1  VAL  11          3HG1      VAL  11  -4.224  -4.652   2.821
   98   3HG1  VAL  11          2HG1      VAL  11  -5.413  -3.579   3.592
   99   1HG2  VAL  11          2HG2      VAL  11  -5.805  -5.504   0.298
  100   2HG2  VAL  11          1HG2      VAL  11  -5.301  -4.104  -0.679
  101   3HG2  VAL  11          3HG2      VAL  11  -4.130  -4.912   0.390
  102    H    CYS  12           H        CYS  12  -7.969  -4.096  -0.839
  103    HA   CYS  12           HA       CYS  12  -7.102  -2.703  -2.914
  104   1HB   CYS  12          2HB       CYS  12  -9.905  -3.614  -2.317
  105   2HB   CYS  12          1HB       CYS  12  -9.591  -2.726  -3.800
  106    HA   PRO  13           HA       PRO  13 -10.052   1.111  -2.785
  107   1HB   PRO  13          2HB       PRO  13 -11.554   1.609  -0.547
  108   2HB   PRO  13          1HB       PRO  13 -12.112   0.529  -1.864
  109   1HG   PRO  13          1HG       PRO  13 -10.704  -0.232   0.738
  110   2HG   PRO  13          2HG       PRO  13 -12.231  -0.889   0.057
  111   1HD   PRO  13          1HD       PRO  13  -9.910  -2.192  -0.361
  112   2HD   PRO  13          2HD       PRO  13 -11.102  -2.030  -1.694
  113    H    THR  14           H        THR  14  -8.791   0.297   0.418
  114    HA   THR  14           HA       THR  14  -8.207   2.903   1.359
  115    HB   THR  14           HB       THR  14  -6.694   0.349   2.072
  116    HG1  THR  14           HG1      THR  14  -8.373   0.102   3.644
  117   1HG2  THR  14          1HG2      THR  14  -7.360   2.855   3.694
  118   2HG2  THR  14          3HG2      THR  14  -6.514   1.421   4.310
  119   3HG2  THR  14          2HG2      THR  14  -5.757   2.426   3.055
  120    H    VAL  15           H        VAL  15  -6.076   0.498  -0.161
  121    HA   VAL  15           HA       VAL  15  -3.898   2.386  -0.556
  122    HB   VAL  15           HB       VAL  15  -2.703   0.547  -1.531
  123   1HG1  VAL  15          1HG1      VAL  15  -4.239  -0.365   0.928
  124   2HG1  VAL  15          3HG1      VAL  15  -2.730  -1.087   0.325
  125   3HG1  VAL  15          2HG1      VAL  15  -2.743   0.599   0.897
  126   1HG2  VAL  15          2HG2      VAL  15  -5.281  -1.064  -1.483
  127   2HG2  VAL  15          1HG2      VAL  15  -4.400  -0.501  -2.918
  128   3HG2  VAL  15          3HG2      VAL  15  -3.666  -1.710  -1.848
  129    H    GLU  16           H        GLU  16  -6.738   1.954  -2.186
  130    HA   GLU  16           HA       GLU  16  -6.132   1.900  -4.903
  131   1HB   GLU  16          2HB       GLU  16  -8.418   1.801  -3.911
  132   2HB   GLU  16          1HB       GLU  16  -8.337   3.543  -3.615
  133   1HG   GLU  16          2HG       GLU  16  -8.124   3.967  -6.041
  134   2HG   GLU  16          1HG       GLU  16  -8.171   2.220  -6.356
  135    HA   PRO  17           HA       PRO  17  -5.452   6.695  -4.929
  136   1HB   PRO  17          2HB       PRO  17  -4.793   7.891  -2.531
  137   2HB   PRO  17          1HB       PRO  17  -6.470   7.791  -3.159
  138   1HG   PRO  17          1HG       PRO  17  -5.071   5.934  -1.181
  139   2HG   PRO  17          2HG       PRO  17  -6.671   6.733  -1.033
  140   1HD   PRO  17          1HD       PRO  17  -6.530   4.190  -1.880
  141   2HD   PRO  17          2HD       PRO  17  -7.663   5.326  -2.678
  142    H    TRP  18           H        TRP  18  -3.640   5.155  -2.224
  143    HA   TRP  18           HA       TRP  18  -1.241   6.585  -2.791
  144   1HB   TRP  18          2HB       TRP  18  -1.404   3.969  -1.234
  145   2HB   TRP  18          1HB       TRP  18  -0.133   5.199  -1.148
  146    HD1  TRP  18          1HD       TRP  18  -1.701   7.916  -0.620
  147    HE1  TRP  18          1HE       TRP  18  -3.056   8.286   1.482
  148    HE3  TRP  18          3HE       TRP  18  -2.394   3.029   0.674
  149    HZ2  TRP  18          2HZ       TRP  18  -4.322   6.666   3.445
  150    HZ3  TRP  18          3HZ       TRP  18  -3.703   2.484   2.699
  151    HH2  TRP  18          2HH       TRP  18  -4.699   4.296   4.053
  152    H    ALA  19           H        ALA  19  -1.888   3.119  -3.138
  153    HA   ALA  19           HA       ALA  19   0.608   2.405  -4.192
  154   1HB   ALA  19          2HB       ALA  19  -0.940   0.784  -3.175
  155   2HB   ALA  19          1HB       ALA  19  -2.084   1.001  -4.520
  156   3HB   ALA  19          3HB       ALA  19  -0.494   0.261  -4.813
  157    H    LYS  20           H        LYS  20  -2.425   2.994  -5.929
  158    HA   LYS  20           HA       LYS  20  -1.567   2.244  -8.509
  159   1HB   LYS  20          2HB       LYS  20  -3.743   4.132  -7.564
  160   2HB   LYS  20          1HB       LYS  20  -3.484   3.769  -9.272
  161   1HG   LYS  20          2HG       LYS  20  -5.287   2.389  -8.268
  162   2HG   LYS  20          1HG       LYS  20  -3.972   1.423  -8.940
  163   1HD   LYS  20          2HD       LYS  20  -3.108   0.927  -6.728
  164   2HD   LYS  20          1HD       LYS  20  -4.243   2.045  -5.966
  165   1HE   LYS  20          2HE       LYS  20  -6.136   0.584  -6.770
  166   2HE   LYS  20          1HE       LYS  20  -4.931  -0.547  -7.429
  167   1HZ   LYS  20          2HZ       LYS  20  -4.016  -0.796  -5.225
  168   2HZ   LYS  20          1HZ       LYS  20  -5.166   0.284  -4.595
  169   3HZ   LYS  20          3HZ       LYS  20  -5.664  -1.205  -5.241
  170    H    LYS  21           H        LYS  21  -1.751   5.503  -7.084
  171    HA   LYS  21           HA       LYS  21  -0.484   6.956  -9.155
  172   1HB   LYS  21          2HB       LYS  21  -0.453   7.410  -6.138
  173   2HB   LYS  21          1HB       LYS  21   0.104   8.588  -7.335
  174   1HG   LYS  21          2HG       LYS  21  -2.141   8.716  -8.311
  175   2HG   LYS  21          1HG       LYS  21  -2.733   7.470  -7.202
  176   1HD   LYS  21          2HD       LYS  21  -2.182   8.994  -5.272
  177   2HD   LYS  21          1HD       LYS  21  -1.702  10.241  -6.435
  178   1HE   LYS  21          2HE       LYS  21  -4.497   9.022  -6.211
  179   2HE   LYS  21          1HE       LYS  21  -4.009  10.613  -5.585
  180   1HZ   LYS  21          1HZ       LYS  21  -3.906   9.760  -8.420
  181   2HZ   LYS  21          3HZ       LYS  21  -5.071  10.785  -7.730
  182   3HZ   LYS  21          2HZ       LYS  21  -3.450  11.281  -7.818
  183    H    CYS  22           H        CYS  22   0.814   5.256  -6.378
  184    HA   CYS  22           HA       CYS  22   3.572   5.989  -6.680
  185   1HB   CYS  22          2HB       CYS  22   2.507   5.301  -4.548
  186   2HB   CYS  22          1HB       CYS  22   2.274   3.668  -5.191
  187    H    SER  23           H        SER  23   5.247   4.206  -6.811
  188    HA   SER  23           HA       SER  23   4.732   2.287  -9.006
  189   1HB   SER  23          2HB       SER  23   6.640   3.214 -10.302
  190   2HB   SER  23          1HB       SER  23   5.373   4.435 -10.069
  191    HG   SER  23           HG       SER  23   6.637   5.225  -8.261
  192    H    GLY  24           H        GLY  24   7.095   1.423  -9.616
  193   1HA   GLY  24          2HA       GLY  24   9.076   0.343  -8.867
  194   2HA   GLY  24          1HA       GLY  24   8.578   0.613  -7.189
  195    H    ASP  25           H        ASP  25   9.460  -1.734  -7.559
  196    HA   ASP  25           HA       ASP  25   7.925  -3.787  -8.721
  197   1HB   ASP  25          2HB       ASP  25   9.776  -3.922  -6.294
  198   2HB   ASP  25          1HB       ASP  25   9.233  -5.310  -7.257
  199    H    ILE  26           H        ILE  26   7.918  -2.544  -5.414
  200    HA   ILE  26           HA       ILE  26   6.105  -4.420  -4.286
  201    HB   ILE  26           HB       ILE  26   6.496  -1.546  -3.400
  202   1HG1  ILE  26          2HG1      ILE  26   8.726  -2.501  -3.654
  203   2HG1  ILE  26          1HG1      ILE  26   8.326  -2.296  -1.949
  204   1HG2  ILE  26          1HG2      ILE  26   5.734  -4.064  -1.860
  205   2HG2  ILE  26          3HG2      ILE  26   6.016  -2.459  -1.151
  206   3HG2  ILE  26          2HG2      ILE  26   4.658  -2.711  -2.269
  207   1HD1  ILE  26          1HD1      ILE  26   8.223  -4.936  -3.488
  208   2HD1  ILE  26          3HD1      ILE  26   9.487  -4.443  -2.338
  209   3HD1  ILE  26          2HD1      ILE  26   7.830  -4.730  -1.763
  210    H    ALA  27           H        ALA  27   5.595  -1.168  -5.624
  211    HA   ALA  27           HA       ALA  27   2.824  -0.902  -5.260
  212   1HB   ALA  27          2HB       ALA  27   4.254   0.943  -6.075
  213   2HB   ALA  27          1HB       ALA  27   4.521   0.076  -7.604
  214   3HB   ALA  27          3HB       ALA  27   2.896   0.667  -7.187
  215    H    THR  28           H        THR  28   4.617  -2.403  -7.906
  216    HA   THR  28           HA       THR  28   2.450  -3.156  -9.565
  217    HB   THR  28           HB       THR  28   5.165  -4.505  -9.220
  218    HG1  THR  28           HG1      THR  28   4.276  -2.438 -10.977
  219   1HG2  THR  28          1HG2      THR  28   3.233  -4.592 -11.581
  220   2HG2  THR  28          3HG2      THR  28   4.868  -5.288 -11.544
  221   3HG2  THR  28          2HG2      THR  28   3.599  -5.949 -10.491
  222    H    TYR  29           H        TYR  29   3.999  -4.815  -6.847
  223    HA   TYR  29           HA       TYR  29   2.683  -7.322  -7.099
  224   1HB   TYR  29          2HB       TYR  29   4.652  -7.145  -5.717
  225   2HB   TYR  29          1HB       TYR  29   3.896  -5.928  -4.683
  226    HD1  TYR  29          1HD       TYR  29   3.029  -9.379  -5.942
  227    HD2  TYR  29          2HD       TYR  29   3.247  -6.694  -2.598
  228    HE1  TYR  29          1HE       TYR  29   2.130 -11.146  -4.466
  229    HE2  TYR  29          2HE       TYR  29   2.367  -8.466  -1.119
  230    HH   TYR  29           HH       TYR  29   1.440 -11.672  -2.399
  231    H    ILE  30           H        ILE  30   1.968  -4.620  -4.892
  232    HA   ILE  30           HA       ILE  30  -0.387  -5.573  -3.727
  233    HB   ILE  30           HB       ILE  30   0.498  -2.739  -4.385
  234   1HG1  ILE  30          2HG1      ILE  30   0.653  -4.268  -1.760
  235   2HG1  ILE  30          1HG1      ILE  30   1.993  -4.117  -2.902
  236   1HG2  ILE  30          1HG2      ILE  30  -1.732  -3.600  -2.492
  237   2HG2  ILE  30          3HG2      ILE  30  -1.090  -1.950  -2.645
  238   3HG2  ILE  30          2HG2      ILE  30  -1.931  -2.699  -4.014
  239   1HD1  ILE  30          1HD1      ILE  30   0.621  -1.791  -1.476
  240   2HD1  ILE  30          3HD1      ILE  30   2.208  -2.477  -1.066
  241   3HD1  ILE  30          2HD1      ILE  30   1.972  -1.660  -2.625
  242    H    LYS  31           H        LYS  31   0.012  -3.597  -6.622
  243    HA   LYS  31           HA       LYS  31  -2.632  -3.253  -7.468
  244   1HB   LYS  31          2HB       LYS  31  -0.697  -2.133  -8.464
  245   2HB   LYS  31          1HB       LYS  31  -0.065  -3.655  -9.066
  246   1HG   LYS  31          2HG       LYS  31  -2.687  -2.416  -9.991
  247   2HG   LYS  31          1HG       LYS  31  -1.135  -2.148 -10.787
  248   1HD   LYS  31          2HD       LYS  31  -2.662  -4.787 -10.599
  249   2HD   LYS  31          1HD       LYS  31  -2.387  -3.795 -12.022
  250   1HE   LYS  31          2HE       LYS  31  -0.004  -4.282 -12.021
  251   2HE   LYS  31          1HE       LYS  31  -0.136  -5.159 -10.481
  252   1HZ   LYS  31          1HZ       LYS  31  -1.482  -5.887 -13.013
  253   2HZ   LYS  31          3HZ       LYS  31  -0.123  -6.656 -12.346
  254   3HZ   LYS  31          2HZ       LYS  31  -1.614  -6.719 -11.540
  255    H    ARG  32           H        ARG  32  -0.389  -5.899  -8.208
  256    HA   ARG  32           HA       ARG  32  -2.050  -7.380  -9.952
  257   1HB   ARG  32          2HB       ARG  32   0.358  -7.750  -9.854
  258   2HB   ARG  32          1HB       ARG  32   0.250  -8.292  -8.170
  259   1HG   ARG  32          2HG       ARG  32  -1.141 -10.214  -8.876
  260   2HG   ARG  32          1HG       ARG  32  -1.020  -9.691 -10.565
  261   1HD   ARG  32          2HD       ARG  32   1.423 -10.080 -10.513
  262   2HD   ARG  32          1HD       ARG  32   1.319 -10.547  -8.796
  263    HE   ARG  32           HE       ARG  32  -0.505 -12.137 -10.283
  264   1HH1  ARG  32          2HH2      ARG  32   2.953 -11.666  -9.880
  265   2HH1  ARG  32          1HH2      ARG  32   3.341 -13.307 -10.283
  266   1HH2  ARG  32          2HH1      ARG  32   0.020 -14.279 -10.804
  267   2HH2  ARG  32          1HH1      ARG  32   1.677 -14.787 -10.806
  268    H    GLU  33           H        GLU  33  -1.532  -7.709  -6.456
  269    HA   GLU  33           HA       GLU  33  -3.050 -10.085  -6.093
  270   1HB   GLU  33          2HB       GLU  33  -2.418  -7.866  -4.100
  271   2HB   GLU  33          1HB       GLU  33  -3.008  -9.486  -3.699
  272   1HG   GLU  33          2HG       GLU  33  -0.349  -8.943  -5.087
  273   2HG   GLU  33          1HG       GLU  33  -0.532  -9.185  -3.345
  274    H    CYS  34           H        CYS  34  -3.911  -6.711  -5.390
  275    HA   CYS  34           HA       CYS  34  -6.592  -7.105  -4.625
  276   1HB   CYS  34          2HB       CYS  34  -5.543  -4.985  -4.189
  277   2HB   CYS  34          1HB       CYS  34  -5.184  -4.725  -5.907
  278    H    GLY  35           H        GLY  35  -5.305  -6.176  -7.794
  279   1HA   GLY  35          2HA       GLY  35  -7.738  -5.920  -9.198
  280   2HA   GLY  35          1HA       GLY  35  -6.153  -6.191  -9.941
  281    H    LYS  36           H        LYS  36  -5.401  -8.571  -9.320
  282    HA   LYS  36           HA       LYS  36  -7.055 -10.411 -10.782
  283   1HB   LYS  36          2HB       LYS  36  -4.530 -10.411 -10.736
  284   2HB   LYS  36          1HB       LYS  36  -4.616 -10.972  -9.059
  285   1HG   LYS  36          2HG       LYS  36  -5.732 -13.043  -9.766
  286   2HG   LYS  36          1HG       LYS  36  -5.781 -12.474 -11.437
  287   1HD   LYS  36          2HD       LYS  36  -4.007 -14.050 -11.320
  288   2HD   LYS  36          1HD       LYS  36  -3.250 -12.462 -11.427
  289   1HE   LYS  36          2HE       LYS  36  -3.594 -14.006  -8.820
  290   2HE   LYS  36          1HE       LYS  36  -2.127 -14.042  -9.817
  291   1HZ   LYS  36          2HZ       LYS  36  -1.954 -11.652  -9.547
  292   2HZ   LYS  36          1HZ       LYS  36  -3.323 -11.651  -8.541
  293   3HZ   LYS  36          3HZ       LYS  36  -1.916 -12.462  -8.055
  294    H    LEU  37           H        LEU  37  -8.979 -10.325  -9.578
  295    HA   LEU  37           HA       LEU  37  -9.307 -12.322  -7.534
  296   1HB   LEU  37          2HB       LEU  37  -8.325 -10.429  -6.218
  297   2HB   LEU  37          1HB       LEU  37  -9.638  -9.388  -6.752
  298    HG   LEU  37           HG       LEU  37  -9.776 -10.271  -4.410
  299   1HD1  LEU  37          2HD1      LEU  37 -11.787  -9.361  -5.462
  300   2HD1  LEU  37          1HD1      LEU  37 -12.178 -10.947  -6.163
  301   3HD1  LEU  37          3HD1      LEU  37 -12.194 -10.731  -4.407
  302   1HD2  LEU  37          1HD2      LEU  37  -8.991 -12.543  -4.743
  303   2HD2  LEU  37          3HD2      LEU  37 -10.620 -12.561  -4.027
  304   3HD2  LEU  37          2HD2      LEU  37 -10.404 -12.923  -5.756
  305   1H    TRP   1          1H        TRP   1  -3.836  -1.276   8.978
  306   2H    TRP   1          3H        TRP   1  -2.755  -0.037   8.551
  307   3H    TRP   1          2H        TRP   1  -2.525  -0.903   9.994
  308    HA   TRP   1           HA       TRP   1  -3.395   1.192  10.500
  309   1HB   TRP   1          2HB       TRP   1  -5.702   1.824   9.622
  310   2HB   TRP   1          1HB       TRP   1  -4.337   1.929   8.494
  311    HD1  TRP   1          1HD       TRP   1  -7.361  -0.559   9.276
  312    HE1  TRP   1          1HE       TRP   1  -7.886  -1.874   7.193
  313    HE3  TRP   1          3HE       TRP   1  -3.623   1.254   6.292
  314    HZ2  TRP   1          2HZ       TRP   1  -6.845  -2.102   4.567
  315    HZ3  TRP   1          3HZ       TRP   1  -3.431   0.424   3.968
  316    HH2  TRP   1          2HH       TRP   1  -5.037  -1.249   3.110
  317    H    SER   2           H        SER   2  -5.529  -1.619  10.039
  318    HA   SER   2           HA       SER   2  -6.940  -1.205  12.540
  319   1HB   SER   2          2HB       SER   2  -7.829  -2.404  10.436
  320   2HB   SER   2          1HB       SER   2  -6.794  -3.771  10.911
  321    HG   SER   2           HG       SER   2  -8.823  -2.611  12.543
  322    H    THR   3           H        THR   3  -7.078  -3.339  13.984
  323    HA   THR   3           HA       THR   3  -4.636  -3.689  15.379
  324    HB   THR   3           HB       THR   3  -7.125  -5.457  15.321
  325    HG1  THR   3           HG1      THR   3  -7.616  -4.203  17.218
  326   1HG2  THR   3          1HG2      THR   3  -4.918  -5.302  17.429
  327   2HG2  THR   3          3HG2      THR   3  -6.429  -6.232  17.568
  328   3HG2  THR   3          2HG2      THR   3  -5.222  -6.679  16.344
  329    H    ILE   4           H        ILE   4  -6.396  -6.022  13.357
  330    HA   ILE   4           HA       ILE   4  -4.094  -7.799  13.122
  331    HB   ILE   4           HB       ILE   4  -6.850  -7.893  11.848
  332   1HG1  ILE   4          2HG1      ILE   4  -7.079  -8.025  14.243
  333   2HG1  ILE   4          1HG1      ILE   4  -7.391  -9.614  13.536
  334   1HG2  ILE   4          1HG2      ILE   4  -4.727 -10.071  11.979
  335   2HG2  ILE   4          3HG2      ILE   4  -6.401 -10.292  11.416
  336   3HG2  ILE   4          2HG2      ILE   4  -5.297  -9.226  10.521
  337   1HD1  ILE   4          2HD1      ILE   4  -5.110 -10.362  14.194
  338   2HD1  ILE   4          1HD1      ILE   4  -4.798  -8.765  14.912
  339   3HD1  ILE   4          3HD1      ILE   4  -6.055  -9.817  15.601
  340    H    VAL   5           H        VAL   5  -6.022  -5.774  10.934
  341    HA   VAL   5           HA       VAL   5  -4.880  -6.549   8.500
  342    HB   VAL   5           HB       VAL   5  -5.935  -3.782   9.159
  343   1HG1  VAL   5          1HG1      VAL   5  -5.699  -5.222   6.494
  344   2HG1  VAL   5          3HG1      VAL   5  -6.525  -3.670   6.755
  345   3HG1  VAL   5          2HG1      VAL   5  -4.772  -3.798   7.022
  346   1HG2  VAL   5          1HG2      VAL   5  -7.611  -5.472   9.794
  347   2HG2  VAL   5          3HG2      VAL   5  -8.133  -4.588   8.345
  348   3HG2  VAL   5          2HG2      VAL   5  -7.471  -6.233   8.193
  349    H    LYS   6           H        LYS   6  -3.931  -3.838  10.602
  350    HA   LYS   6           HA       LYS   6  -1.941  -2.615   9.131
  351   1HB   LYS   6          2HB       LYS   6  -2.722  -1.884  11.368
  352   2HB   LYS   6          1HB       LYS   6  -1.888  -3.253  12.116
  353   1HG   LYS   6          2HG       LYS   6   0.289  -2.282  11.209
  354   2HG   LYS   6          1HG       LYS   6  -0.638  -0.857  10.713
  355   1HD   LYS   6          2HD       LYS   6  -0.334  -1.901  13.560
  356   2HD   LYS   6          1HD       LYS   6   0.482  -0.491  12.876
  357   1HE   LYS   6          2HE       LYS   6  -2.537  -0.772  13.280
  358   2HE   LYS   6          1HE       LYS   6  -1.435   0.173  14.301
  359   1HZ   LYS   6          1HZ       LYS   6  -1.906   0.609  11.412
  360   2HZ   LYS   6          3HZ       LYS   6  -2.559   1.540  12.673
  361   3HZ   LYS   6          2HZ       LYS   6  -0.881   1.524  12.410
  362    H    LEU   7           H        LEU   7  -1.432  -5.270  11.434
  363    HA   LEU   7           HA       LEU   7   1.299  -5.688  11.167
  364   1HB   LEU   7          2HB       LEU   7  -0.852  -7.823  11.539
  365   2HB   LEU   7          1HB       LEU   7   0.858  -7.990  11.951
  366    HG   LEU   7           HG       LEU   7  -1.074  -6.010  13.213
  367   1HD1  LEU   7          2HD1      LEU   7  -1.623  -8.296  13.873
  368   2HD1  LEU   7          1HD1      LEU   7   0.070  -8.596  14.337
  369   3HD1  LEU   7          3HD1      LEU   7  -0.907  -7.417  15.242
  370   1HD2  LEU   7          2HD2      LEU   7   1.815  -6.630  13.945
  371   2HD2  LEU   7          1HD2      LEU   7   1.205  -5.116  13.236
  372   3HD2  LEU   7          3HD2      LEU   7   0.712  -5.588  14.875
  373    H    THR   8           H        THR   8  -1.303  -6.980   9.176
  374    HA   THR   8           HA       THR   8   0.338  -8.749   7.608
  375    HB   THR   8           HB       THR   8  -2.463  -7.672   7.055
  376    HG1  THR   8           HG1      THR   8  -2.267  -8.758   9.077
  377   1HG2  THR   8          1HG2      THR   8  -1.058 -10.183   6.030
  378   2HG2  THR   8          3HG2      THR   8  -2.762  -9.760   5.748
  379   3HG2  THR   8          2HG2      THR   8  -1.472  -8.747   5.062
  380    H    ILE   9           H        ILE   9  -1.417  -5.774   6.647
  381    HA   ILE   9           HA       ILE   9  -0.170  -5.840   4.042
  382    HB   ILE   9           HB       ILE   9  -2.551  -5.247   4.397
  383   1HG1  ILE   9          2HG1      ILE   9  -2.607  -3.310   2.795
  384   2HG1  ILE   9          1HG1      ILE   9  -0.858  -3.168   2.981
  385   1HG2  ILE   9          2HG2      ILE   9  -2.405  -3.828   6.403
  386   2HG2  ILE   9          1HG2      ILE   9  -1.530  -2.588   5.482
  387   3HG2  ILE   9          3HG2      ILE   9  -3.211  -2.975   5.072
  388   1HD1  ILE   9          1HD1      ILE   9  -2.302  -5.621   1.891
  389   2HD1  ILE   9          3HD1      ILE   9  -1.442  -4.400   0.925
  390   3HD1  ILE   9          2HD1      ILE   9  -0.539  -5.437   2.047
  391    H    CYS  10           H        CYS  10   0.019  -3.629   6.795
  392    HA   CYS  10           HA       CYS  10   1.261  -1.449   5.748
  393   1HB   CYS  10          2HB       CYS  10   1.700  -2.690   8.477
  394   2HB   CYS  10          1HB       CYS  10   2.351  -1.124   8.001
  395    HA   PRO  11           HA       PRO  11   5.795  -3.216   6.457
  396   1HB   PRO  11          2HB       PRO  11   5.963  -5.911   5.684
  397   2HB   PRO  11          1HB       PRO  11   5.949  -5.320   7.374
  398   1HG   PRO  11          1HG       PRO  11   3.621  -6.294   5.678
  399   2HG   PRO  11          2HG       PRO  11   4.045  -6.731   7.368
  400   1HD   PRO  11          1HD       PRO  11   2.149  -4.912   6.967
  401   2HD   PRO  11          2HD       PRO  11   3.407  -4.563   8.197
  402    H    THR  12           H        THR  12   3.732  -4.882   4.097
  403    HA   THR  12           HA       THR  12   5.375  -4.623   1.802
  404    HB   THR  12           HB       THR  12   2.322  -4.643   1.896
  405    HG1  THR  12           HG1      THR  12   4.197  -6.797   1.834
  406   1HG2  THR  12          2HG2      THR  12   3.235  -4.114  -0.354
  407   2HG2  THR  12          1HG2      THR  12   4.250  -5.571  -0.281
  408   3HG2  THR  12          3HG2      THR  12   2.478  -5.721  -0.320
  409    H    LEU  13           H        LEU  13   2.755  -2.552   3.029
  410    HA   LEU  13           HA       LEU  13   2.674  -0.663   0.947
  411   1HB   LEU  13          2HB       LEU  13   2.065  -0.176   3.895
  412   2HB   LEU  13          1HB       LEU  13   1.555   0.831   2.531
  413    HG   LEU  13           HG       LEU  13   0.710  -2.024   3.034
  414   1HD1  LEU  13          1HD1      LEU  13  -0.860   0.570   3.297
  415   2HD1  LEU  13          3HD1      LEU  13  -1.547  -1.063   3.444
  416   3HD1  LEU  13          2HD1      LEU  13  -0.344  -0.496   4.623
  417   1HD2  LEU  13          2HD2      LEU  13  -0.162  -0.127   0.819
  418   2HD2  LEU  13          1HD2      LEU  13   0.805  -1.609   0.630
  419   3HD2  LEU  13          3HD2      LEU  13  -0.885  -1.716   1.162
  420    H    LYS  14           H        LYS  14   4.731  -0.739   3.805
  421    HA   LYS  14           HA       LYS  14   5.812   1.905   3.512
  422   1HB   LYS  14          2HB       LYS  14   6.792  -0.546   5.020
  423   2HB   LYS  14          1HB       LYS  14   7.608   1.012   5.099
  424   1HG   LYS  14          2HG       LYS  14   4.776   0.350   6.021
  425   2HG   LYS  14          1HG       LYS  14   6.158   0.752   7.037
  426   1HD   LYS  14          2HD       LYS  14   4.746   2.660   5.126
  427   2HD   LYS  14          1HD       LYS  14   4.535   2.607   6.874
  428   1HE   LYS  14          2HE       LYS  14   5.994   4.453   6.409
  429   2HE   LYS  14          1HE       LYS  14   7.007   3.176   7.105
  430   1HZ   LYS  14          1HZ       LYS  14   6.681   3.717   4.214
  431   2HZ   LYS  14          3HZ       LYS  14   7.997   4.215   5.166
  432   3HZ   LYS  14          2HZ       LYS  14   7.708   2.566   4.911
  433    H    SER  15           H        SER  15   6.933  -1.304   2.519
  434    HA   SER  15           HA       SER  15   9.391  -0.607   1.335
  435   1HB   SER  15          2HB       SER  15   7.394  -2.720   0.399
  436   2HB   SER  15          1HB       SER  15   9.117  -2.635  -0.042
  437    HG   SER  15           HG       SER  15   8.092  -2.914   2.610
  438    H    MET  16           H        MET  16   6.141  -0.662  -0.045
  439    HA   MET  16           HA       MET  16   6.713   0.356  -2.629
  440   1HB   MET  16          2HB       MET  16   4.550  -0.708  -1.943
  441   2HB   MET  16          1HB       MET  16   4.195   0.700  -0.939
  442   1HG   MET  16          2HG       MET  16   4.216   2.138  -2.971
  443   2HG   MET  16          1HG       MET  16   4.546   0.709  -3.966
  444   1HE   MET  16          1HE       MET  16   1.955   2.593  -1.680
  445   2HE   MET  16          3HE       MET  16   0.600   1.441  -1.614
  446   3HE   MET  16          2HE       MET  16   2.136   1.050  -0.810
  447    H    ALA  17           H        ALA  17   5.969   1.942   0.420
  448    HA   ALA  17           HA       ALA  17   5.300   4.532  -0.372
  449   1HB   ALA  17          2HB       ALA  17   5.007   3.706   1.923
  450   2HB   ALA  17          1HB       ALA  17   6.769   3.673   2.153
  451   3HB   ALA  17          3HB       ALA  17   5.936   5.217   1.914
  452    H    LYS  18           H        LYS  18   8.470   3.126   0.182
  453    HA   LYS  18           HA       LYS  18  10.175   5.316   0.069
  454   1HB   LYS  18          2HB       LYS  18  10.540   2.550  -1.172
  455   2HB   LYS  18          1HB       LYS  18  11.847   3.712  -0.883
  456   1HG   LYS  18          2HG       LYS  18  11.458   3.625   1.531
  457   2HG   LYS  18          1HG       LYS  18  10.043   2.592   1.303
  458   1HD   LYS  18          2HD       LYS  18  11.477   0.787   0.418
  459   2HD   LYS  18          1HD       LYS  18  12.904   1.817   0.604
  460   1HE   LYS  18          2HE       LYS  18  12.745   0.222   2.477
  461   2HE   LYS  18          1HE       LYS  18  12.533   1.885   3.068
  462   1HZ   LYS  18          2HZ       LYS  18  10.141   1.544   2.994
  463   2HZ   LYS  18          1HZ       LYS  18  10.374  -0.058   2.480
  464   3HZ   LYS  18          3HZ       LYS  18  10.905   0.423   4.020
  465    H    LYS  19           H        LYS  19   9.038   3.380  -2.705
  466    HA   LYS  19           HA       LYS  19   9.903   5.480  -4.594
  467   1HB   LYS  19          2HB       LYS  19  10.443   3.022  -4.914
  468   2HB   LYS  19          1HB       LYS  19   8.721   2.714  -5.105
  469   1HG   LYS  19          2HG       LYS  19   9.509   2.751  -7.298
  470   2HG   LYS  19          1HG       LYS  19   8.830   4.363  -7.112
  471   1HD   LYS  19          2HD       LYS  19  11.781   3.657  -6.961
  472   2HD   LYS  19          1HD       LYS  19  10.957   4.385  -8.343
  473   1HE   LYS  19          2HE       LYS  19  10.419   6.389  -6.867
  474   2HE   LYS  19          1HE       LYS  19  11.477   5.662  -5.628
  475   1HZ   LYS  19          1HZ       LYS  19  12.288   6.337  -8.384
  476   2HZ   LYS  19          3HZ       LYS  19  12.666   7.224  -6.986
  477   3HZ   LYS  19          2HZ       LYS  19  13.274   5.652  -7.184
  478    H    CYS  20           H        CYS  20   7.860   6.354  -3.010
  479    HA   CYS  20           HA       CYS  20   5.577   6.520  -4.930
  480   1HB   CYS  20          2HB       CYS  20   5.458   6.818  -1.903
  481   2HB   CYS  20          1HB       CYS  20   4.105   7.043  -3.013
  482    H    GLU  21           H        GLU  21   4.205   8.513  -4.169
  483    HA   GLU  21           HA       GLU  21   5.596  10.817  -5.119
  484   1HB   GLU  21          2HB       GLU  21   2.838  10.444  -3.898
  485   2HB   GLU  21          1HB       GLU  21   3.385  11.962  -4.606
  486   1HG   GLU  21          2HG       GLU  21   1.979  10.752  -6.196
  487   2HG   GLU  21          1HG       GLU  21   3.634  10.884  -6.812
  488    H    GLY  22           H        GLY  22   4.840  12.952  -3.876
  489   1HA   GLY  22          2HA       GLY  22   6.800  13.501  -2.012
  490   2HA   GLY  22          1HA       GLY  22   5.340  14.474  -2.222
  491    H    SER  23           H        SER  23   3.327  13.078  -1.245
  492    HA   SER  23           HA       SER  23   4.083  12.035   1.422
  493   1HB   SER  23          2HB       SER  23   2.118  14.323   0.950
  494   2HB   SER  23          1HB       SER  23   2.337  13.478   2.501
  495    HG   SER  23           HG       SER  23   4.582  14.121   2.395
  496    H    ILE  24           H        ILE  24   2.846  10.993  -1.157
  497    HA   ILE  24           HA       ILE  24   0.450   9.667  -0.258
  498    HB   ILE  24           HB       ILE  24   2.575   9.057  -2.324
  499   1HG1  ILE  24          2HG1      ILE  24   1.014  10.866  -2.859
  500   2HG1  ILE  24          1HG1      ILE  24   0.843   9.502  -3.969
  501   1HG2  ILE  24          1HG2      ILE  24   0.198   7.296  -1.696
  502   2HG2  ILE  24          3HG2      ILE  24   1.201   7.164  -3.163
  503   3HG2  ILE  24          2HG2      ILE  24   1.915   6.863  -1.565
  504   1HD1  ILE  24          2HD1      ILE  24  -1.198   8.763  -2.759
  505   2HD1  ILE  24          1HD1      ILE  24  -1.027  10.145  -1.649
  506   3HD1  ILE  24          3HD1      ILE  24  -1.355  10.423  -3.371
  507    H    ALA  25           H        ALA  25   3.863   8.813  -0.334
  508    HA   ALA  25           HA       ALA  25   3.999   6.494   1.192
  509   1HB   ALA  25          2HB       ALA  25   5.918   7.571   0.047
  510   2HB   ALA  25          1HB       ALA  25   5.881   8.906   1.215
  511   3HB   ALA  25          3HB       ALA  25   6.305   7.266   1.758
  512    H    THR  26           H        THR  26   3.880   9.859   2.283
  513    HA   THR  26           HA       THR  26   4.282   9.503   5.048
  514    HB   THR  26           HB       THR  26   2.605  11.614   3.620
  515    HG1  THR  26           HG1      THR  26   4.589  12.788   3.710
  516   1HG2  THR  26          1HG2      THR  26   3.931  11.710   6.369
  517   2HG2  THR  26          3HG2      THR  26   3.103  13.062   5.564
  518   3HG2  THR  26          2HG2      THR  26   2.179  11.630   6.068
  519    H    MET  27           H        MET  27   1.212   9.788   3.255
  520    HA   MET  27           HA       MET  27  -0.537   9.412   5.433
  521   1HB   MET  27          2HB       MET  27  -0.911   8.876   2.471
  522   2HB   MET  27          1HB       MET  27  -2.220   8.718   3.655
  523   1HG   MET  27          2HG       MET  27  -1.839  11.111   4.331
  524   2HG   MET  27          1HG       MET  27  -0.640  11.255   3.039
  525   1HE   MET  27          1HE       MET  27  -1.796   9.616   0.665
  526   2HE   MET  27          3HE       MET  27  -2.782  10.811  -0.205
  527   3HE   MET  27          2HE       MET  27  -1.196  11.276   0.453
  528    H    ILE  28           H        ILE  28   0.877   7.011   3.247
  529    HA   ILE  28           HA       ILE  28  -0.434   4.689   4.099
  530    HB   ILE  28           HB       ILE  28   2.409   5.173   3.166
  531   1HG1  ILE  28          2HG1      ILE  28   0.060   3.897   1.734
  532   2HG1  ILE  28          1HG1      ILE  28   0.546   5.583   1.552
  533   1HG2  ILE  28          1HG2      ILE  28   1.114   2.469   3.655
  534   2HG2  ILE  28          3HG2      ILE  28   2.658   2.731   2.804
  535   3HG2  ILE  28          2HG2      ILE  28   2.513   3.145   4.521
  536   1HD1  ILE  28          2HD1      ILE  28   2.763   4.838   0.672
  537   2HD1  ILE  28          1HD1      ILE  28   2.246   3.144   0.833
  538   3HD1  ILE  28          3HD1      ILE  28   1.418   4.220  -0.311
  539    H    LYS  29           H        LYS  29   2.562   6.101   5.383
  540    HA   LYS  29           HA       LYS  29   2.997   4.238   7.471
  541   1HB   LYS  29          2HB       LYS  29   4.676   5.891   6.534
  542   2HB   LYS  29          1HB       LYS  29   3.831   7.163   7.427
  543   1HG   LYS  29          2HG       LYS  29   4.314   6.069   9.566
  544   2HG   LYS  29          1HG       LYS  29   5.048   4.691   8.735
  545   1HD   LYS  29          2HD       LYS  29   6.778   6.153   9.651
  546   2HD   LYS  29          1HD       LYS  29   6.852   6.158   7.883
  547   1HE   LYS  29          2HE       LYS  29   5.678   8.343   7.825
  548   2HE   LYS  29          1HE       LYS  29   5.560   8.332   9.601
  549   1HZ   LYS  29          1HZ       LYS  29   8.068   8.276   8.023
  550   2HZ   LYS  29          3HZ       LYS  29   7.432   9.628   8.833
  551   3HZ   LYS  29          2HZ       LYS  29   7.956   8.274   9.718
  552    H    LYS  30           H        LYS  30   1.290   7.323   7.410
  553    HA   LYS  30           HA       LYS  30   0.878   7.694  10.168
  554   1HB   LYS  30          2HB       LYS  30  -0.710   8.612   7.734
  555   2HB   LYS  30          1HB       LYS  30  -1.101   9.138   9.376
  556   1HG   LYS  30          2HG       LYS  30   1.717   9.489   8.351
  557   2HG   LYS  30          1HG       LYS  30   0.460  10.588   7.786
  558   1HD   LYS  30          2HD       LYS  30   1.731  11.532   9.666
  559   2HD   LYS  30          1HD       LYS  30   0.026  11.343  10.062
  560   1HE   LYS  30          2HE       LYS  30   2.107   9.304  10.931
  561   2HE   LYS  30          1HE       LYS  30   1.733  10.747  11.892
  562   1HZ   LYS  30          1HZ       LYS  30  -0.225   8.692  11.038
  563   2HZ   LYS  30          3HZ       LYS  30   0.446   8.846  12.592
  564   3HZ   LYS  30          2HZ       LYS  30  -0.558  10.069  11.972
  565    H    LYS  31           H        LYS  31  -1.294   6.272   7.757
  566    HA   LYS  31           HA       LYS  31  -3.394   5.381   9.398
  567   1HB   LYS  31          2HB       LYS  31  -2.137   4.210   6.876
  568   2HB   LYS  31          1HB       LYS  31  -3.609   3.555   7.594
  569   1HG   LYS  31          2HG       LYS  31  -3.297   6.445   6.677
  570   2HG   LYS  31          1HG       LYS  31  -3.968   5.158   5.673
  571   1HD   LYS  31          2HD       LYS  31  -5.115   6.217   8.293
  572   2HD   LYS  31          1HD       LYS  31  -5.771   6.475   6.673
  573   1HE   LYS  31          2HE       LYS  31  -5.641   3.814   8.168
  574   2HE   LYS  31          1HE       LYS  31  -7.094   4.771   7.822
  575   1HZ   LYS  31          1HZ       LYS  31  -5.306   3.554   5.800
  576   2HZ   LYS  31          3HZ       LYS  31  -6.827   2.961   6.267
  577   3HZ   LYS  31          2HZ       LYS  31  -6.705   4.462   5.479
  578    H    CYS  32           H        CYS  32  -0.590   3.563   8.263
  579    HA   CYS  32           HA       CYS  32  -0.794   1.310   9.989
  580   1HB   CYS  32          2HB       CYS  32   1.482   2.583   8.408
  581   2HB   CYS  32          1HB       CYS  32   1.671   1.059   9.291
  582    H    ASP  33           H        ASP  33   1.283   0.777  11.335
  583    HA   ASP  33           HA       ASP  33   2.512   2.972  12.790
  584   1HB   ASP  33          2HB       ASP  33   0.312   2.726  13.979
  585   2HB   ASP  33          1HB       ASP  33   0.690   1.024  14.294
  586    H    LYS  34           H        LYS  34   4.069   2.266  14.318
  587    HA   LYS  34           HA       LYS  34   5.018  -0.413  14.540
  588   1HB   LYS  34          2HB       LYS  34   7.157  -0.037  13.175
  589   2HB   LYS  34          1HB       LYS  34   5.675  -0.355  12.284
  590   1HG   LYS  34          2HG       LYS  34   6.962   1.371  11.165
  591   2HG   LYS  34          1HG       LYS  34   5.443   2.046  11.756
  592   1HD   LYS  34          2HD       LYS  34   6.625   3.094  13.656
  593   2HD   LYS  34          1HD       LYS  34   8.154   2.386  13.111
  594   1HE   LYS  34          2HE       LYS  34   6.460   4.411  11.567
  595   2HE   LYS  34          1HE       LYS  34   7.957   4.772  12.455
  596   1HZ   LYS  34          2HZ       LYS  34   9.134   3.261  11.012
  597   2HZ   LYS  34          1HZ       LYS  34   7.705   2.913  10.163
  598   3HZ   LYS  34          3HZ       LYS  34   8.365   4.477  10.111
   
  No H/Q in entry =         598
  Start of MODEL           7
 Raw file had  604 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1          2H        GLY   1   3.749 -16.894   0.908
    2   2H    GLY   1          1H        GLY   1   3.728 -17.949   2.239
    3   3H    GLY   1          3H        GLY   1   3.086 -18.451   0.749
    4   1HA   GLY   1          2HA       GLY   1   1.353 -16.809   0.892
    5   2HA   GLY   1          1HA       GLY   1   1.332 -17.908   2.283
    6    H    VAL   2           H        VAL   2   2.974 -14.918   1.274
    7    HA   VAL   2           HA       VAL   2   3.391 -13.863   3.874
    8    HB   VAL   2           HB       VAL   2   4.660 -13.184   1.896
    9   1HG1  VAL   2          2HG1      VAL   2   2.935 -13.084   0.174
   10   2HG1  VAL   2          1HG1      VAL   2   2.194 -11.670   0.961
   11   3HG1  VAL   2          3HG1      VAL   2   3.821 -11.547   0.267
   12   1HG2  VAL   2          1HG2      VAL   2   4.739 -11.753   3.848
   13   2HG2  VAL   2          3HG2      VAL   2   4.800 -10.760   2.374
   14   3HG2  VAL   2          2HG2      VAL   2   3.293 -10.870   3.309
   15    H    ILE   3           H        ILE   3   0.872 -13.206   1.479
   16    HA   ILE   3           HA       ILE   3  -0.993 -12.374   3.611
   17    HB   ILE   3           HB       ILE   3  -0.370 -10.735   1.126
   18   1HG1  ILE   3          2HG1      ILE   3   0.104 -10.125   4.067
   19   2HG1  ILE   3          1HG1      ILE   3   1.325 -10.410   2.826
   20   1HG2  ILE   3          2HG2      ILE   3  -2.782 -10.687   1.572
   21   2HG2  ILE   3          1HG2      ILE   3  -2.478 -10.245   3.266
   22   3HG2  ILE   3          3HG2      ILE   3  -2.065  -9.112   1.959
   23   1HD1  ILE   3          1HD1      ILE   3  -0.565  -8.018   2.883
   24   2HD1  ILE   3          3HD1      ILE   3   1.151  -8.019   3.343
   25   3HD1  ILE   3          2HD1      ILE   3   0.690  -8.339   1.660
   26    HA   PRO   4           HA       PRO   4  -3.389 -15.049   0.914
   27   1HB   PRO   4          2HB       PRO   4  -5.682 -15.170   2.345
   28   2HB   PRO   4          1HB       PRO   4  -4.153 -15.816   3.032
   29   1HG   PRO   4          1HG       PRO   4  -5.405 -13.061   3.451
   30   2HG   PRO   4          2HG       PRO   4  -4.889 -14.246   4.701
   31   1HD   PRO   4          1HD       PRO   4  -3.240 -12.214   3.893
   32   2HD   PRO   4          2HD       PRO   4  -2.590 -13.834   4.317
   33    H    LYS   5           H        LYS   5  -5.488 -15.108  -0.175
   34    HA   LYS   5           HA       LYS   5  -6.047 -12.878  -1.782
   35   1HB   LYS   5          2HB       LYS   5  -6.625 -15.200  -2.394
   36   2HB   LYS   5          1HB       LYS   5  -7.849 -15.248  -1.113
   37   1HG   LYS   5          2HG       LYS   5  -9.100 -13.414  -2.246
   38   2HG   LYS   5          1HG       LYS   5  -7.876 -13.377  -3.523
   39   1HD   LYS   5          2HD       LYS   5  -9.659 -15.762  -2.869
   40   2HD   LYS   5          1HD       LYS   5  -9.955 -14.603  -4.172
   41   1HE   LYS   5          2HE       LYS   5  -7.797 -15.273  -5.242
   42   2HE   LYS   5          1HE       LYS   5  -7.547 -16.470  -3.950
   43   1HZ   LYS   5          1HZ       LYS   5  -9.845 -16.381  -5.814
   44   2HZ   LYS   5          3HZ       LYS   5  -8.536 -17.460  -5.897
   45   3HZ   LYS   5          2HZ       LYS   5  -9.607 -17.523  -4.581
   46    H    LYS   6           H        LYS   6  -7.712 -14.067   1.104
   47    HA   LYS   6           HA       LYS   6  -9.954 -12.415   1.157
   48   1HB   LYS   6          2HB       LYS   6  -9.606 -14.324   2.675
   49   2HB   LYS   6          1HB       LYS   6  -8.331 -13.435   3.519
   50   1HG   LYS   6          2HG       LYS   6 -10.525 -13.414   4.726
   51   2HG   LYS   6          1HG       LYS   6  -9.912 -11.797   4.354
   52   1HD   LYS   6          2HD       LYS   6 -12.346 -11.965   3.969
   53   2HD   LYS   6          1HD       LYS   6 -11.479 -11.587   2.474
   54   1HE   LYS   6          2HE       LYS   6 -11.644 -14.004   1.802
   55   2HE   LYS   6          1HE       LYS   6 -12.578 -14.323   3.283
   56   1HZ   LYS   6          2HZ       LYS   6 -14.203 -12.716   2.550
   57   2HZ   LYS   6          1HZ       LYS   6 -13.311 -12.419   1.135
   58   3HZ   LYS   6          3HZ       LYS   6 -14.007 -13.947   1.395
   59    H    ILE   7           H        ILE   7  -6.801 -11.795   2.697
   60    HA   ILE   7           HA       ILE   7  -7.399  -9.204   3.672
   61    HB   ILE   7           HB       ILE   7  -4.761 -10.475   2.901
   62   1HG1  ILE   7          2HG1      ILE   7  -5.938 -11.587   4.749
   63   2HG1  ILE   7          1HG1      ILE   7  -4.429 -10.841   5.279
   64   1HG2  ILE   7          1HG2      ILE   7  -5.189  -7.849   4.386
   65   2HG2  ILE   7          3HG2      ILE   7  -3.635  -8.698   4.235
   66   3HG2  ILE   7          2HG2      ILE   7  -4.437  -8.057   2.788
   67   1HD1  ILE   7          2HD1      ILE   7  -5.721  -8.939   6.248
   68   2HD1  ILE   7          1HD1      ILE   7  -7.236  -9.705   5.711
   69   3HD1  ILE   7          3HD1      ILE   7  -6.223 -10.497   6.937
   70    H    TRP   8           H        TRP   8  -5.836 -10.187   0.622
   71    HA   TRP   8           HA       TRP   8  -5.313  -7.651  -0.426
   72   1HB   TRP   8          2HB       TRP   8  -5.956 -10.279  -1.816
   73   2HB   TRP   8          1HB       TRP   8  -5.458  -8.820  -2.697
   74    HD1  TRP   8          1HD       TRP   8  -3.795 -11.858  -1.686
   75    HE1  TRP   8          1HE       TRP   8  -1.356 -11.571  -1.122
   76    HE3  TRP   8          3HE       TRP   8  -3.738  -6.763  -1.124
   77    HZ2  TRP   8          2HZ       TRP   8   0.392  -9.431  -0.509
   78    HZ3  TRP   8          3HZ       TRP   8  -1.615  -5.647  -0.561
   79    HH2  TRP   8          2HH       TRP   8   0.447  -6.977  -0.258
   80    H    GLU   9           H        GLU   9  -8.304  -9.481  -0.567
   81    HA   GLU   9           HA       GLU   9  -9.778  -7.729  -2.279
   82   1HB   GLU   9          2HB       GLU   9 -10.654  -9.722  -0.148
   83   2HB   GLU   9          1HB       GLU   9 -11.776  -8.875  -1.226
   84   1HG   GLU   9          2HG       GLU   9 -10.797  -9.911  -3.187
   85   2HG   GLU   9          1HG       GLU   9  -9.487 -10.630  -2.240
   86    H    THR  10           H        THR  10  -9.551  -8.010   1.242
   87    HA   THR  10           HA       THR  10 -11.411  -6.013   1.979
   88    HB   THR  10           HB       THR  10  -8.944  -7.061   3.433
   89    HG1  THR  10           HG1      THR  10 -10.580  -8.607   2.875
   90   1HG2  THR  10          1HG2      THR  10 -11.347  -5.579   4.596
   91   2HG2  THR  10          3HG2      THR  10 -10.037  -6.343   5.528
   92   3HG2  THR  10          2HG2      THR  10  -9.687  -4.943   4.490
   93    H    VAL  11           H        VAL  11  -7.924  -5.817   1.449
   94    HA   VAL  11           HA       VAL  11  -7.611  -3.152   2.446
   95    HB   VAL  11           HB       VAL  11  -5.341  -3.266   1.589
   96   1HG1  VAL  11          1HG1      VAL  11  -6.191  -5.815   3.006
   97   2HG1  VAL  11          3HG1      VAL  11  -4.522  -5.227   2.871
   98   3HG1  VAL  11          2HG1      VAL  11  -5.732  -4.277   3.754
   99   1HG2  VAL  11          2HG2      VAL  11  -6.105  -5.892   0.288
  100   2HG2  VAL  11          1HG2      VAL  11  -5.643  -4.391  -0.546
  101   3HG2  VAL  11          3HG2      VAL  11  -4.449  -5.262   0.440
  102    H    CYS  12           H        CYS  12  -8.239  -4.468  -0.706
  103    HA   CYS  12           HA       CYS  12  -7.487  -3.015  -2.703
  104   1HB   CYS  12          2HB       CYS  12 -10.274  -3.852  -2.002
  105   2HB   CYS  12          1HB       CYS  12 -10.064  -2.815  -3.409
  106    HA   PRO  13           HA       PRO  13 -10.202   0.934  -2.457
  107   1HB   PRO  13          2HB       PRO  13 -11.531   1.544  -0.119
  108   2HB   PRO  13          1HB       PRO  13 -12.243   0.539  -1.420
  109   1HG   PRO  13          1HG       PRO  13 -10.790  -0.378   1.104
  110   2HG   PRO  13          2HG       PRO  13 -12.384  -0.910   0.469
  111   1HD   PRO  13          1HD       PRO  13 -10.183  -2.375  -0.048
  112   2HD   PRO  13          2HD       PRO  13 -11.400  -2.103  -1.339
  113    H    THR  14           H        THR  14  -8.975   0.209   0.804
  114    HA   THR  14           HA       THR  14  -8.136   2.848   1.459
  115    HB   THR  14           HB       THR  14  -7.071   0.220   2.586
  116    HG1  THR  14           HG1      THR  14  -8.779   0.520   4.116
  117   1HG2  THR  14          1HG2      THR  14  -7.254   3.024   3.797
  118   2HG2  THR  14          3HG2      THR  14  -6.704   1.567   4.652
  119   3HG2  THR  14          2HG2      THR  14  -5.757   2.207   3.291
  120    H    VAL  15           H        VAL  15  -6.340   0.049   0.227
  121    HA   VAL  15           HA       VAL  15  -3.800   1.369   0.165
  122    HB   VAL  15           HB       VAL  15  -2.971  -0.544  -1.050
  123   1HG1  VAL  15          1HG1      VAL  15  -4.795  -1.297   1.260
  124   2HG1  VAL  15          3HG1      VAL  15  -3.457  -2.294   0.636
  125   3HG1  VAL  15          2HG1      VAL  15  -3.121  -0.705   1.364
  126   1HG2  VAL  15          2HG2      VAL  15  -5.841  -1.527  -1.237
  127   2HG2  VAL  15          1HG2      VAL  15  -4.799  -1.030  -2.587
  128   3HG2  VAL  15          3HG2      VAL  15  -4.396  -2.476  -1.637
  129    H    GLU  16           H        GLU  16  -6.402   1.135  -2.118
  130    HA   GLU  16           HA       GLU  16  -5.254   1.426  -4.588
  131   1HB   GLU  16          2HB       GLU  16  -7.642   1.166  -4.280
  132   2HB   GLU  16          1HB       GLU  16  -7.776   2.769  -3.549
  133   1HG   GLU  16          2HG       GLU  16  -7.106   3.807  -5.711
  134   2HG   GLU  16          1HG       GLU  16  -6.951   2.194  -6.431
  135    HA   PRO  17           HA       PRO  17  -5.196   6.316  -4.369
  136   1HB   PRO  17          2HB       PRO  17  -4.680   7.328  -1.811
  137   2HB   PRO  17          1HB       PRO  17  -6.299   7.256  -2.577
  138   1HG   PRO  17          1HG       PRO  17  -4.999   5.260  -0.677
  139   2HG   PRO  17          2HG       PRO  17  -6.645   5.973  -0.607
  140   1HD   PRO  17          1HD       PRO  17  -6.349   3.535  -1.651
  141   2HD   PRO  17          2HD       PRO  17  -7.388   4.716  -2.518
  142    H    TRP  18           H        TRP  18  -3.318   4.626  -1.848
  143    HA   TRP  18           HA       TRP  18  -0.879   6.042  -2.306
  144   1HB   TRP  18          2HB       TRP  18  -1.224   3.262  -1.099
  145   2HB   TRP  18          1HB       TRP  18   0.213   4.295  -0.972
  146    HD1  TRP  18          1HD       TRP  18  -1.017   7.134  -0.067
  147    HE1  TRP  18          1HE       TRP  18  -2.114   7.423   2.175
  148    HE3  TRP  18          3HE       TRP  18  -2.143   2.233   0.851
  149    HZ2  TRP  18          2HZ       TRP  18  -3.322   5.765   4.128
  150    HZ3  TRP  18          3HZ       TRP  18  -3.314   1.641   2.952
  151    HH2  TRP  18          2HH       TRP  18  -3.894   3.404   4.589
  152    H    ALA  19           H        ALA  19  -1.774   2.722  -3.173
  153    HA   ALA  19           HA       ALA  19   0.507   1.925  -4.527
  154   1HB   ALA  19          1HB       ALA  19  -2.387   1.106  -5.044
  155   2HB   ALA  19          3HB       ALA  19  -0.955   0.201  -5.582
  156   3HB   ALA  19          2HB       ALA  19  -1.290   0.386  -3.845
  157    H    LYS  20           H        LYS  20  -2.460   3.165  -6.038
  158    HA   LYS  20           HA       LYS  20  -1.586   3.235  -8.709
  159   1HB   LYS  20          2HB       LYS  20  -3.658   4.786  -7.148
  160   2HB   LYS  20          1HB       LYS  20  -3.313   5.213  -8.823
  161   1HG   LYS  20          2HG       LYS  20  -5.279   3.718  -8.563
  162   2HG   LYS  20          1HG       LYS  20  -4.039   3.088  -9.638
  163   1HD   LYS  20          2HD       LYS  20  -4.231   2.171  -6.748
  164   2HD   LYS  20          1HD       LYS  20  -5.250   1.471  -8.004
  165   1HE   LYS  20          2HE       LYS  20  -2.187   1.399  -7.953
  166   2HE   LYS  20          1HE       LYS  20  -3.287   0.059  -7.600
  167   1HZ   LYS  20          1HZ       LYS  20  -3.125   1.522 -10.168
  168   2HZ   LYS  20          3HZ       LYS  20  -2.460  -0.009  -9.853
  169   3HZ   LYS  20          2HZ       LYS  20  -4.144   0.207  -9.824
  170    H    LYS  21           H        LYS  21  -1.478   5.808  -6.263
  171    HA   LYS  21           HA       LYS  21   0.244   7.505  -7.930
  172   1HB   LYS  21          2HB       LYS  21  -0.756   7.830  -5.072
  173   2HB   LYS  21          1HB       LYS  21   0.125   9.055  -5.999
  174   1HG   LYS  21          2HG       LYS  21  -1.718   9.177  -7.634
  175   2HG   LYS  21          1HG       LYS  21  -2.589   7.894  -6.778
  176   1HD   LYS  21          2HD       LYS  21  -3.526  10.095  -6.221
  177   2HD   LYS  21          1HD       LYS  21  -2.821   9.327  -4.792
  178   1HE   LYS  21          2HE       LYS  21  -2.284  11.742  -4.870
  179   2HE   LYS  21          1HE       LYS  21  -0.806  10.765  -4.995
  180   1HZ   LYS  21          1HZ       LYS  21  -2.290  11.976  -7.255
  181   2HZ   LYS  21          3HZ       LYS  21  -0.829  12.545  -6.601
  182   3HZ   LYS  21          2HZ       LYS  21  -0.881  11.038  -7.381
  183    H    CYS  22           H        CYS  22   1.568   5.236  -7.706
  184    HA   CYS  22           HA       CYS  22   3.953   5.957  -6.172
  185   1HB   CYS  22          2HB       CYS  22   2.440   4.636  -4.587
  186   2HB   CYS  22          1HB       CYS  22   2.625   3.250  -5.672
  187    H    SER  23           H        SER  23   5.676   4.266  -6.506
  188    HA   SER  23           HA       SER  23   5.470   2.770  -9.053
  189   1HB   SER  23          2HB       SER  23   7.574   4.900  -8.435
  190   2HB   SER  23          1HB       SER  23   7.659   3.770  -9.804
  191    HG   SER  23           HG       SER  23   5.542   5.634  -9.322
  192    H    GLY  24           H        GLY  24   7.739   1.764  -9.462
  193   1HA   GLY  24          2HA       GLY  24   9.507   0.395  -8.718
  194   2HA   GLY  24          1HA       GLY  24   8.999   0.661  -7.044
  195    H    ASP  25           H        ASP  25   9.638  -1.731  -7.439
  196    HA   ASP  25           HA       ASP  25   7.968  -3.582  -8.754
  197   1HB   ASP  25          2HB       ASP  25   9.799  -3.951  -6.341
  198   2HB   ASP  25          1HB       ASP  25   9.043  -5.285  -7.231
  199    H    ILE  26           H        ILE  26   7.964  -2.504  -5.389
  200    HA   ILE  26           HA       ILE  26   5.989  -4.303  -4.413
  201    HB   ILE  26           HB       ILE  26   6.661  -1.545  -3.347
  202   1HG1  ILE  26          2HG1      ILE  26   8.746  -2.783  -3.618
  203   2HG1  ILE  26          1HG1      ILE  26   8.343  -2.584  -1.915
  204   1HG2  ILE  26          1HG2      ILE  26   5.518  -4.013  -1.970
  205   2HG2  ILE  26          3HG2      ILE  26   5.984  -2.503  -1.156
  206   3HG2  ILE  26          2HG2      ILE  26   4.651  -2.506  -2.328
  207   1HD1  ILE  26          1HD1      ILE  26   7.920  -5.132  -3.553
  208   2HD1  ILE  26          3HD1      ILE  26   9.214  -4.854  -2.366
  209   3HD1  ILE  26          2HD1      ILE  26   7.522  -4.938  -1.829
  210    H    ALA  27           H        ALA  27   5.745  -0.957  -5.591
  211    HA   ALA  27           HA       ALA  27   3.002  -0.495  -5.208
  212   1HB   ALA  27          2HB       ALA  27   4.571   1.258  -5.954
  213   2HB   ALA  27          1HB       ALA  27   4.773   0.434  -7.518
  214   3HB   ALA  27          3HB       ALA  27   3.199   1.134  -7.079
  215    H    THR  28           H        THR  28   4.670  -1.956  -7.960
  216    HA   THR  28           HA       THR  28   2.434  -2.539  -9.597
  217    HB   THR  28           HB       THR  28   5.107  -4.000  -9.391
  218    HG1  THR  28           HG1      THR  28   4.263  -1.797 -10.998
  219   1HG2  THR  28          1HG2      THR  28   3.127  -3.872 -11.713
  220   2HG2  THR  28          3HG2      THR  28   4.737  -4.630 -11.752
  221   3HG2  THR  28          2HG2      THR  28   3.463  -5.307 -10.714
  222    H    TYR  29           H        TYR  29   4.002  -4.394  -7.034
  223    HA   TYR  29           HA       TYR  29   2.698  -6.885  -7.384
  224   1HB   TYR  29          2HB       TYR  29   4.667  -6.728  -6.000
  225   2HB   TYR  29          1HB       TYR  29   3.913  -5.540  -4.936
  226    HD1  TYR  29          1HD       TYR  29   3.209  -9.023  -6.205
  227    HD2  TYR  29          2HD       TYR  29   3.166  -6.299  -2.886
  228    HE1  TYR  29          1HE       TYR  29   2.412 -10.836  -4.724
  229    HE2  TYR  29          2HE       TYR  29   2.369  -8.111  -1.408
  230    HH   TYR  29           HH       TYR  29   1.739 -11.397  -2.661
  231    H    ILE  30           H        ILE  30   2.037  -4.374  -4.973
  232    HA   ILE  30           HA       ILE  30  -0.301  -5.346  -3.826
  233    HB   ILE  30           HB       ILE  30   0.627  -2.491  -4.311
  234   1HG1  ILE  30          2HG1      ILE  30   0.847  -4.139  -1.766
  235   2HG1  ILE  30          1HG1      ILE  30   2.124  -4.097  -2.988
  236   1HG2  ILE  30          1HG2      ILE  30  -1.513  -3.460  -2.367
  237   2HG2  ILE  30          3HG2      ILE  30  -0.842  -1.813  -2.425
  238   3HG2  ILE  30          2HG2      ILE  30  -1.776  -2.436  -3.797
  239   1HD1  ILE  30          1HD1      ILE  30   1.053  -1.670  -1.474
  240   2HD1  ILE  30          3HD1      ILE  30   2.597  -2.495  -1.163
  241   3HD1  ILE  30          2HD1      ILE  30   2.341  -1.654  -2.705
  242    H    LYS  31           H        LYS  31   0.027  -3.148  -6.581
  243    HA   LYS  31           HA       LYS  31  -2.629  -2.665  -7.272
  244   1HB   LYS  31          2HB       LYS  31  -0.755  -1.552  -8.341
  245   2HB   LYS  31          1HB       LYS  31  -0.164  -3.062  -9.020
  246   1HG   LYS  31          2HG       LYS  31  -2.841  -1.836  -9.769
  247   2HG   LYS  31          1HG       LYS  31  -1.339  -1.451 -10.615
  248   1HD   LYS  31          2HD       LYS  31  -2.753  -4.160 -10.518
  249   2HD   LYS  31          1HD       LYS  31  -2.591  -3.073 -11.891
  250   1HE   LYS  31          2HE       LYS  31  -0.178  -3.450 -12.006
  251   2HE   LYS  31          1HE       LYS  31  -0.229  -4.458 -10.543
  252   1HZ   LYS  31          1HZ       LYS  31  -1.645  -5.021 -13.078
  253   2HZ   LYS  31          3HZ       LYS  31  -0.230  -5.786 -12.532
  254   3HZ   LYS  31          2HZ       LYS  31  -1.682  -5.979 -11.675
  255    H    ARG  32           H        ARG  32  -0.550  -5.329  -8.350
  256    HA   ARG  32           HA       ARG  32  -2.422  -6.710  -9.949
  257   1HB   ARG  32          2HB       ARG  32   0.014  -7.115 -10.018
  258   2HB   ARG  32          1HB       ARG  32  -0.048  -7.826  -8.396
  259   1HG   ARG  32          2HG       ARG  32  -1.525  -9.631  -9.224
  260   2HG   ARG  32          1HG       ARG  32  -1.481  -8.923 -10.850
  261   1HD   ARG  32          2HD       ARG  32   0.963  -9.321 -10.966
  262   2HD   ARG  32          1HD       ARG  32   0.935 -10.002  -9.320
  263    HE   ARG  32           HE       ARG  32  -0.966 -11.412 -10.853
  264   1HH1  ARG  32          2HH2      ARG  32   2.509 -10.919 -10.742
  265   2HH1  ARG  32          1HH2      ARG  32   2.867 -12.474 -11.417
  266   1HH2  ARG  32          2HH1      ARG  32  -0.477 -13.438 -11.740
  267   2HH2  ARG  32          1HH1      ARG  32   1.174 -13.903 -11.982
  268    H    GLU  33           H        GLU  33  -1.755  -6.942  -6.470
  269    HA   GLU  33           HA       GLU  33  -3.069  -9.377  -5.930
  270   1HB   GLU  33          2HB       GLU  33  -2.927  -6.986  -4.051
  271   2HB   GLU  33          1HB       GLU  33  -3.184  -8.677  -3.621
  272   1HG   GLU  33          2HG       GLU  33  -0.626  -7.392  -4.628
  273   2HG   GLU  33          1HG       GLU  33  -0.917  -8.128  -3.061
  274    H    CYS  34           H        CYS  34  -4.326  -6.077  -5.509
  275    HA   CYS  34           HA       CYS  34  -7.012  -6.841  -4.921
  276   1HB   CYS  34          2HB       CYS  34  -6.136  -4.640  -4.287
  277   2HB   CYS  34          1HB       CYS  34  -5.900  -4.210  -5.994
  278    H    GLY  35           H        GLY  35  -5.479  -5.686  -7.904
  279   1HA   GLY  35          2HA       GLY  35  -7.796  -5.497  -9.521
  280   2HA   GLY  35          1HA       GLY  35  -6.135  -5.620 -10.118
  281    H    LYS  36           H        LYS  36  -5.193  -7.872  -9.916
  282    HA   LYS  36           HA       LYS  36  -6.771  -9.826 -11.291
  283   1HB   LYS  36          2HB       LYS  36  -4.291  -9.617 -11.494
  284   2HB   LYS  36          1HB       LYS  36  -4.120 -10.192  -9.828
  285   1HG   LYS  36          2HG       LYS  36  -5.181 -12.344 -10.449
  286   2HG   LYS  36          1HG       LYS  36  -5.351 -11.781 -12.117
  287   1HD   LYS  36          2HD       LYS  36  -2.715 -12.180 -10.633
  288   2HD   LYS  36          1HD       LYS  36  -3.403 -13.299 -11.815
  289   1HE   LYS  36          2HE       LYS  36  -2.478 -10.442 -12.392
  290   2HE   LYS  36          1HE       LYS  36  -1.627 -11.936 -12.843
  291   1HZ   LYS  36          2HZ       LYS  36  -3.513 -12.569 -14.178
  292   2HZ   LYS  36          1HZ       LYS  36  -4.330 -11.143 -13.749
  293   3HZ   LYS  36          3HZ       LYS  36  -2.905 -11.061 -14.672
  294    H    LEU  37           H        LEU  37  -8.578 -10.135 -10.078
  295    HA   LEU  37           HA       LEU  37  -8.476 -12.057  -7.900
  296   1HB   LEU  37          2HB       LEU  37  -7.989  -9.918  -6.740
  297   2HB   LEU  37          1HB       LEU  37  -9.439  -9.200  -7.432
  298    HG   LEU  37           HG       LEU  37  -9.539  -9.846  -5.007
  299   1HD1  LEU  37          2HD1      LEU  37 -11.605  -9.399  -6.226
  300   2HD1  LEU  37          1HD1      LEU  37 -11.698 -11.090  -6.762
  301   3HD1  LEU  37          3HD1      LEU  37 -11.843 -10.700  -5.044
  302   1HD2  LEU  37          1HD2      LEU  37  -8.360 -11.966  -5.061
  303   2HD2  LEU  37          3HD2      LEU  37 -10.000 -12.200  -4.410
  304   3HD2  LEU  37          2HD2      LEU  37  -9.629 -12.688  -6.079
  305   1H    TRP   1          1H        TRP   1  -5.198  -1.986   9.273
  306   2H    TRP   1          3H        TRP   1  -4.485  -0.476   8.962
  307   3H    TRP   1          2H        TRP   1  -4.096  -1.317  10.382
  308    HA   TRP   1           HA       TRP   1  -5.542   0.427  10.916
  309   1HB   TRP   1          2HB       TRP   1  -7.880   0.441   9.897
  310   2HB   TRP   1          1HB       TRP   1  -6.543   0.969   8.862
  311    HD1  TRP   1          1HD       TRP   1  -8.866  -2.231   9.364
  312    HE1  TRP   1          1HE       TRP   1  -8.885  -3.563   7.220
  313    HE3  TRP   1          3HE       TRP   1  -5.435   0.518   6.756
  314    HZ2  TRP   1          2HZ       TRP   1  -7.622  -3.421   4.682
  315    HZ3  TRP   1          3HZ       TRP   1  -4.858  -0.150   4.442
  316    HH2  TRP   1          2HH       TRP   1  -5.961  -2.098   3.405
  317    H    SER   2           H        SER   2  -6.805  -2.828  10.175
  318    HA   SER   2           HA       SER   2  -8.270  -2.992  12.698
  319   1HB   SER   2          2HB       SER   2  -8.999  -4.130  10.552
  320   2HB   SER   2          1HB       SER   2  -7.586  -5.201  10.713
  321    HG   SER   2           HG       SER   2  -9.492  -6.130  11.635
  322    H    THR   3           H        THR   3  -7.881  -4.956  14.113
  323    HA   THR   3           HA       THR   3  -5.344  -4.888  15.332
  324    HB   THR   3           HB       THR   3  -7.445  -7.100  15.420
  325    HG1  THR   3           HG1      THR   3  -7.019  -4.810  17.071
  326   1HG2  THR   3          1HG2      THR   3  -5.220  -6.447  17.413
  327   2HG2  THR   3          3HG2      THR   3  -6.494  -7.668  17.635
  328   3HG2  THR   3          2HG2      THR   3  -5.274  -7.880  16.360
  329    H    ILE   4           H        ILE   4  -6.745  -7.424  13.271
  330    HA   ILE   4           HA       ILE   4  -4.221  -8.818  12.932
  331    HB   ILE   4           HB       ILE   4  -6.972  -9.167  11.714
  332   1HG1  ILE   4          2HG1      ILE   4  -6.945 -11.351  12.937
  333   2HG1  ILE   4          1HG1      ILE   4  -5.431 -10.868  13.702
  334   1HG2  ILE   4          1HG2      ILE   4  -4.523 -10.896  11.186
  335   2HG2  ILE   4          3HG2      ILE   4  -6.191 -11.303  10.722
  336   3HG2  ILE   4          2HG2      ILE   4  -5.392  -9.892  10.000
  337   1HD1  ILE   4          1HD1      ILE   4  -8.098  -9.416  14.014
  338   2HD1  ILE   4          3HD1      ILE   4  -7.371 -10.528  15.195
  339   3HD1  ILE   4          2HD1      ILE   4  -6.571  -8.992  14.834
  340    H    VAL   5           H        VAL   5  -6.377  -6.962  10.794
  341    HA   VAL   5           HA       VAL   5  -4.978  -7.436   8.401
  342    HB   VAL   5           HB       VAL   5  -6.666  -4.988   9.007
  343   1HG1  VAL   5          1HG1      VAL   5  -5.975  -6.325   6.365
  344   2HG1  VAL   5          3HG1      VAL   5  -7.136  -4.993   6.574
  345   3HG1  VAL   5          2HG1      VAL   5  -5.413  -4.734   6.931
  346   1HG2  VAL   5          1HG2      VAL   5  -7.950  -7.022   9.559
  347   2HG2  VAL   5          3HG2      VAL   5  -8.582  -6.262   8.083
  348   3HG2  VAL   5          2HG2      VAL   5  -7.559  -7.714   7.969
  349    H    LYS   6           H        LYS   6  -4.697  -4.671  10.624
  350    HA   LYS   6           HA       LYS   6  -3.019  -2.979   9.201
  351   1HB   LYS   6          2HB       LYS   6  -4.015  -2.554  11.470
  352   2HB   LYS   6          1HB       LYS   6  -2.772  -3.597  12.186
  353   1HG   LYS   6          2HG       LYS   6  -1.030  -2.060  11.208
  354   2HG   LYS   6          1HG       LYS   6  -2.336  -1.004  10.653
  355   1HD   LYS   6          2HD       LYS   6  -1.624  -1.642  13.542
  356   2HD   LYS   6          1HD       LYS   6  -1.315  -0.129  12.684
  357   1HE   LYS   6          2HE       LYS   6  -3.194   0.319  14.054
  358   2HE   LYS   6          1HE       LYS   6  -3.862   0.096  12.423
  359   1HZ   LYS   6          1HZ       LYS   6  -3.747  -1.963  14.549
  360   2HZ   LYS   6          3HZ       LYS   6  -5.127  -1.091  14.081
  361   3HZ   LYS   6          2HZ       LYS   6  -4.399  -2.173  12.995
  362    H    LEU   7           H        LEU   7  -2.026  -5.576  11.398
  363    HA   LEU   7           HA       LEU   7   0.760  -5.411  11.159
  364   1HB   LEU   7          2HB       LEU   7  -0.944  -7.919  11.519
  365   2HB   LEU   7          1HB       LEU   7   0.774  -7.769  11.910
  366    HG   LEU   7           HG       LEU   7  -1.484  -6.211  13.227
  367   1HD1  LEU   7          1HD1      LEU   7   0.160  -8.543  14.292
  368   2HD1  LEU   7          3HD1      LEU   7  -1.012  -7.588  15.232
  369   3HD1  LEU   7          2HD1      LEU   7  -1.567  -8.571  13.858
  370   1HD2  LEU   7          2HD2      LEU   7   1.484  -6.273  13.909
  371   2HD2  LEU   7          1HD2      LEU   7   0.582  -4.895  13.233
  372   3HD2  LEU   7          3HD2      LEU   7   0.216  -5.476  14.871
  373    H    THR   8           H        THR   8  -1.572  -7.131   9.162
  374    HA   THR   8           HA       THR   8   0.309  -8.620   7.604
  375    HB   THR   8           HB       THR   8  -2.584  -7.885   6.971
  376    HG1  THR   8           HG1      THR   8  -2.313  -8.953   8.999
  377   1HG2  THR   8          1HG2      THR   8  -0.870 -10.213   5.992
  378   2HG2  THR   8          3HG2      THR   8  -2.598  -9.976   5.647
  379   3HG2  THR   8          2HG2      THR   8  -1.403  -8.827   5.008
  380    H    ILE   9           H        ILE   9  -1.705  -5.797   6.718
  381    HA   ILE   9           HA       ILE   9  -0.568  -5.689   4.078
  382    HB   ILE   9           HB       ILE   9  -2.929  -5.187   4.500
  383   1HG1  ILE   9          2HG1      ILE   9  -3.136  -3.160   3.084
  384   2HG1  ILE   9          1HG1      ILE   9  -1.413  -2.839   3.306
  385   1HG2  ILE   9          2HG2      ILE   9  -2.799  -3.982   6.644
  386   2HG2  ILE   9          1HG2      ILE   9  -1.996  -2.616   5.844
  387   3HG2  ILE   9          3HG2      ILE   9  -3.669  -3.030   5.427
  388   1HD1  ILE   9          1HD1      ILE   9  -2.589  -5.310   1.948
  389   2HD1  ILE   9          3HD1      ILE   9  -1.853  -3.916   1.125
  390   3HD1  ILE   9          2HD1      ILE   9  -0.855  -4.967   2.151
  391    H    CYS  10           H        CYS  10  -0.289  -3.593   6.926
  392    HA   CYS  10           HA       CYS  10   0.830  -1.351   5.787
  393   1HB   CYS  10          2HB       CYS  10   1.437  -2.446   8.543
  394   2HB   CYS  10          1HB       CYS  10   1.837  -0.814   7.981
  395    HA   PRO  11           HA       PRO  11   5.393  -2.914   6.516
  396   1HB   PRO  11          2HB       PRO  11   5.756  -5.632   6.027
  397   2HB   PRO  11          1HB       PRO  11   5.593  -4.904   7.657
  398   1HG   PRO  11          1HG       PRO  11   3.436  -6.163   5.914
  399   2HG   PRO  11          2HG       PRO  11   3.801  -6.465   7.646
  400   1HD   PRO  11          1HD       PRO  11   1.818  -4.801   7.012
  401   2HD   PRO  11          2HD       PRO  11   2.958  -4.318   8.310
  402    H    THR  12           H        THR  12   3.337  -4.740   4.265
  403    HA   THR  12           HA       THR  12   5.039  -4.652   1.989
  404    HB   THR  12           HB       THR  12   1.985  -4.611   2.000
  405    HG1  THR  12           HG1      THR  12   3.819  -6.801   2.127
  406   1HG2  THR  12          2HG2      THR  12   2.995  -4.232  -0.243
  407   2HG2  THR  12          1HG2      THR  12   3.974  -5.703  -0.047
  408   3HG2  THR  12          3HG2      THR  12   2.201  -5.818  -0.149
  409    H    LEU  13           H        LEU  13   2.484  -2.458   3.109
  410    HA   LEU  13           HA       LEU  13   2.618  -0.531   1.044
  411   1HB   LEU  13          2HB       LEU  13   1.894  -0.048   3.966
  412   2HB   LEU  13          1HB       LEU  13   1.521   1.004   2.599
  413    HG   LEU  13           HG       LEU  13   0.440  -1.795   3.028
  414   1HD1  LEU  13          1HD1      LEU  13  -0.922   0.916   3.249
  415   2HD1  LEU  13          3HD1      LEU  13  -1.742  -0.656   3.364
  416   3HD1  LEU  13          2HD1      LEU  13  -0.542  -0.189   4.590
  417   1HD2  LEU  13          2HD2      LEU  13  -0.200   0.185   0.806
  418   2HD2  LEU  13          1HD2      LEU  13   0.671  -1.359   0.629
  419   3HD2  LEU  13          3HD2      LEU  13  -1.040  -1.356   1.099
  420    H    LYS  14           H        LYS  14   4.608  -0.939   3.910
  421    HA   LYS  14           HA       LYS  14   5.932   1.595   3.898
  422   1HB   LYS  14          2HB       LYS  14   6.801  -1.144   4.921
  423   2HB   LYS  14          1HB       LYS  14   7.737   0.331   5.164
  424   1HG   LYS  14          2HG       LYS  14   4.865   0.010   6.118
  425   2HG   LYS  14          1HG       LYS  14   6.273  -0.387   7.115
  426   1HD   LYS  14          2HD       LYS  14   7.057   1.964   6.922
  427   2HD   LYS  14          1HD       LYS  14   5.643   2.357   5.929
  428   1HE   LYS  14          2HE       LYS  14   4.146   1.799   7.829
  429   2HE   LYS  14          1HE       LYS  14   5.562   1.386   8.825
  430   1HZ   LYS  14          1HZ       LYS  14   5.030   4.021   7.584
  431   2HZ   LYS  14          3HZ       LYS  14   4.807   3.633   9.224
  432   3HZ   LYS  14          2HZ       LYS  14   6.367   3.622   8.553
  433    H    SER  15           H        SER  15   6.791  -1.570   2.574
  434    HA   SER  15           HA       SER  15   9.208  -0.911   1.282
  435   1HB   SER  15          2HB       SER  15   7.131  -2.993   0.446
  436   2HB   SER  15          1HB       SER  15   8.844  -2.954  -0.039
  437    HG   SER  15           HG       SER  15   7.882  -3.190   2.640
  438    H    MET  16           H        MET  16   5.870  -0.642   0.211
  439    HA   MET  16           HA       MET  16   6.337   0.220  -2.476
  440   1HB   MET  16          2HB       MET  16   4.161  -0.657  -1.593
  441   2HB   MET  16          1HB       MET  16   3.986   0.813  -0.626
  442   1HG   MET  16          2HG       MET  16   3.886   2.187  -2.632
  443   2HG   MET  16          1HG       MET  16   4.192   0.780  -3.664
  444   1HE   MET  16          2HE       MET  16   1.848   1.169  -0.453
  445   2HE   MET  16          1HE       MET  16   1.638   2.686  -1.362
  446   3HE   MET  16          3HE       MET  16   0.293   1.528  -1.237
  447    H    ALA  17           H        ALA  17   5.880   1.918   0.565
  448    HA   ALA  17           HA       ALA  17   5.657   4.583  -0.308
  449   1HB   ALA  17          2HB       ALA  17   5.095   3.860   1.977
  450   2HB   ALA  17          1HB       ALA  17   6.805   3.501   2.305
  451   3HB   ALA  17          3HB       ALA  17   6.293   5.173   2.020
  452    H    LYS  18           H        LYS  18   8.462   2.572   0.095
  453    HA   LYS  18           HA       LYS  18  10.601   4.278   0.387
  454   1HB   LYS  18          2HB       LYS  18  10.450   1.949  -1.573
  455   2HB   LYS  18          1HB       LYS  18  11.930   2.649  -0.915
  456   1HG   LYS  18          2HG       LYS  18   9.811   1.300   0.796
  457   2HG   LYS  18          1HG       LYS  18  11.172   0.440   0.088
  458   1HD   LYS  18          2HD       LYS  18  11.735   0.855   2.353
  459   2HD   LYS  18          1HD       LYS  18  12.718   1.959   1.386
  460   1HE   LYS  18          2HE       LYS  18  11.345   3.859   2.020
  461   2HE   LYS  18          1HE       LYS  18  10.146   2.797   2.802
  462   1HZ   LYS  18          1HZ       LYS  18  12.990   3.133   3.572
  463   2HZ   LYS  18          3HZ       LYS  18  11.655   3.800   4.380
  464   3HZ   LYS  18          2HZ       LYS  18  11.867   2.116   4.340
  465    H    LYS  19           H        LYS  19   8.782   3.748  -2.596
  466    HA   LYS  19           HA       LYS  19   9.842   6.289  -3.631
  467   1HB   LYS  19          2HB       LYS  19  11.384   4.491  -4.422
  468   2HB   LYS  19          1HB       LYS  19  10.032   3.717  -5.263
  469   1HG   LYS  19          2HG       LYS  19   9.724   5.830  -6.610
  470   2HG   LYS  19          1HG       LYS  19  11.143   6.508  -5.810
  471   1HD   LYS  19          2HD       LYS  19  11.212   3.966  -7.482
  472   2HD   LYS  19          1HD       LYS  19  11.501   5.575  -8.146
  473   1HE   LYS  19          2HE       LYS  19  13.648   4.554  -7.765
  474   2HE   LYS  19          1HE       LYS  19  13.445   5.823  -6.541
  475   1HZ   LYS  19          1HZ       LYS  19  12.930   2.938  -6.123
  476   2HZ   LYS  19          3HZ       LYS  19  14.319   3.778  -5.623
  477   3HZ   LYS  19          2HZ       LYS  19  12.811   4.163  -4.951
  478    H    CYS  20           H        CYS  20   7.471   6.294  -2.738
  479    HA   CYS  20           HA       CYS  20   5.604   5.977  -5.007
  480   1HB   CYS  20          2HB       CYS  20   5.135   6.912  -2.152
  481   2HB   CYS  20          1HB       CYS  20   3.886   6.852  -3.409
  482    H    GLU  21           H        GLU  21   4.077   7.797  -5.355
  483    HA   GLU  21           HA       GLU  21   5.722  10.078  -6.213
  484   1HB   GLU  21          2HB       GLU  21   2.792   9.622  -6.862
  485   2HB   GLU  21          1HB       GLU  21   3.995  10.538  -7.780
  486   1HG   GLU  21          2HG       GLU  21   3.690   7.521  -7.560
  487   2HG   GLU  21          1HG       GLU  21   3.633   8.526  -9.015
  488    H    GLY  22           H        GLY  22   5.004  12.224  -6.045
  489   1HA   GLY  22          2HA       GLY  22   4.358  14.129  -4.921
  490   2HA   GLY  22          1HA       GLY  22   2.884  13.248  -4.497
  491    H    SER  23           H        SER  23   2.631  12.475  -2.497
  492    HA   SER  23           HA       SER  23   4.838  12.213  -0.581
  493   1HB   SER  23          2HB       SER  23   2.491  14.122  -0.096
  494   2HB   SER  23          1HB       SER  23   3.693  13.647   1.125
  495    HG   SER  23           HG       SER  23   5.313  14.562  -0.293
  496    H    ILE  24           H        ILE  24   3.242  10.366  -1.842
  497    HA   ILE  24           HA       ILE  24   1.033   9.431  -0.276
  498    HB   ILE  24           HB       ILE  24   2.778   8.330  -2.458
  499   1HG1  ILE  24          2HG1      ILE  24   1.126   9.925  -3.151
  500   2HG1  ILE  24          1HG1      ILE  24   0.718   8.326  -3.775
  501   1HG2  ILE  24          1HG2      ILE  24   0.654   6.674  -1.077
  502   2HG2  ILE  24          3HG2      ILE  24   1.417   6.279  -2.637
  503   3HG2  ILE  24          2HG2      ILE  24   2.397   6.338  -1.157
  504   1HD1  ILE  24          2HD1      ILE  24  -1.014   8.064  -2.018
  505   2HD1  ILE  24          1HD1      ILE  24  -0.614   9.680  -1.390
  506   3HD1  ILE  24          3HD1      ILE  24  -1.300   9.503  -3.017
  507    H    ALA  25           H        ALA  25   4.448   8.584  -0.409
  508    HA   ALA  25           HA       ALA  25   4.672   6.470   1.355
  509   1HB   ALA  25          2HB       ALA  25   6.564   7.491   0.125
  510   2HB   ALA  25          1HB       ALA  25   6.475   8.932   1.159
  511   3HB   ALA  25          3HB       ALA  25   6.942   7.364   1.861
  512    H    THR  26           H        THR  26   4.467   9.908   2.129
  513    HA   THR  26           HA       THR  26   4.730   9.783   4.945
  514    HB   THR  26           HB       THR  26   3.179  11.802   3.262
  515    HG1  THR  26           HG1      THR  26   5.203  12.929   3.328
  516   1HG2  THR  26          1HG2      THR  26   4.438  12.100   6.030
  517   2HG2  THR  26          3HG2      THR  26   3.672  13.402   5.087
  518   3HG2  THR  26          2HG2      THR  26   2.693  12.046   5.684
  519    H    MET  27           H        MET  27   1.847   9.717   2.877
  520    HA   MET  27           HA       MET  27  -0.129   9.795   4.902
  521   1HB   MET  27          2HB       MET  27  -0.277   8.514   2.138
  522   2HB   MET  27          1HB       MET  27  -1.660   8.899   3.181
  523   1HG   MET  27          2HG       MET  27  -1.116  11.294   3.068
  524   2HG   MET  27          1HG       MET  27   0.306  10.943   2.074
  525   1HE   MET  27          2HE       MET  27  -1.761  13.082   1.174
  526   2HE   MET  27          1HE       MET  27  -0.367  12.580   0.189
  527   3HE   MET  27          3HE       MET  27  -1.988  12.662  -0.540
  528    H    ILE  28           H        ILE  28   1.167   6.993   3.138
  529    HA   ILE  28           HA       ILE  28  -0.073   4.861   4.409
  530    HB   ILE  28           HB       ILE  28   2.820   5.158   3.494
  531   1HG1  ILE  28          2HG1      ILE  28   0.504   3.903   1.991
  532   2HG1  ILE  28          1HG1      ILE  28   1.011   5.582   1.770
  533   1HG2  ILE  28          1HG2      ILE  28   1.285   2.593   4.063
  534   2HG2  ILE  28          3HG2      ILE  28   2.891   2.686   3.299
  535   3HG2  ILE  28          2HG2      ILE  28   2.678   3.219   4.975
  536   1HD1  ILE  28          2HD1      ILE  28   3.272   4.794   1.067
  537   2HD1  ILE  28          1HD1      ILE  28   2.727   3.109   1.244
  538   3HD1  ILE  28          3HD1      ILE  28   1.988   4.163   0.019
  539    H    LYS  29           H        LYS  29   2.907   6.499   5.331
  540    HA   LYS  29           HA       LYS  29   3.570   5.064   7.669
  541   1HB   LYS  29          2HB       LYS  29   5.072   6.595   6.362
  542   2HB   LYS  29          1HB       LYS  29   4.149   7.978   6.968
  543   1HG   LYS  29          2HG       LYS  29   4.765   7.294   9.307
  544   2HG   LYS  29          1HG       LYS  29   5.796   6.028   8.624
  545   1HD   LYS  29          2HD       LYS  29   7.140   7.973   9.249
  546   2HD   LYS  29          1HD       LYS  29   7.175   7.740   7.495
  547   1HE   LYS  29          2HE       LYS  29   6.954  10.145   8.137
  548   2HE   LYS  29          1HE       LYS  29   5.568   9.583   7.176
  549   1HZ   LYS  29          1HZ       LYS  29   5.665   9.792  10.133
  550   2HZ   LYS  29          3HZ       LYS  29   4.880  10.874   9.082
  551   3HZ   LYS  29          2HZ       LYS  29   4.339   9.268   9.211
  552    H    LYS  30           H        LYS  30   1.514   7.868   7.168
  553    HA   LYS  30           HA       LYS  30   1.350   8.718   9.899
  554   1HB   LYS  30          2HB       LYS  30   0.991  10.203   7.919
  555   2HB   LYS  30          1HB       LYS  30  -0.499   9.332   7.555
  556   1HG   LYS  30          2HG       LYS  30  -0.966  11.456   8.709
  557   2HG   LYS  30          1HG       LYS  30  -1.504  10.076   9.673
  558   1HD   LYS  30          2HD       LYS  30  -0.429  11.794  11.072
  559   2HD   LYS  30          1HD       LYS  30   0.465  10.270  11.128
  560   1HE   LYS  30          2HE       LYS  30   2.120  11.201   9.493
  561   2HE   LYS  30          1HE       LYS  30   1.216  12.735   9.478
  562   1HZ   LYS  30          1HZ       LYS  30   2.453  11.467  11.854
  563   2HZ   LYS  30          3HZ       LYS  30   3.072  12.799  11.000
  564   3HZ   LYS  30          2HZ       LYS  30   1.599  12.935  11.837
  565    H    LYS  31           H        LYS  31  -0.976   7.065   7.770
  566    HA   LYS  31           HA       LYS  31  -3.088   6.815   9.626
  567   1HB   LYS  31          2HB       LYS  31  -2.346   5.437   7.055
  568   2HB   LYS  31          1HB       LYS  31  -3.627   4.738   8.040
  569   1HG   LYS  31          2HG       LYS  31  -4.562   6.127   6.290
  570   2HG   LYS  31          1HG       LYS  31  -4.942   6.788   7.873
  571   1HD   LYS  31          2HD       LYS  31  -2.664   7.872   6.186
  572   2HD   LYS  31          1HD       LYS  31  -4.325   8.418   5.973
  573   1HE   LYS  31          2HE       LYS  31  -2.680   8.713   8.534
  574   2HE   LYS  31          1HE       LYS  31  -3.088   9.994   7.383
  575   1HZ   LYS  31          2HZ       LYS  31  -5.408   9.623   7.846
  576   2HZ   LYS  31          1HZ       LYS  31  -5.018   8.382   8.940
  577   3HZ   LYS  31          3HZ       LYS  31  -4.559   9.984   9.271
  578    H    CYS  32           H        CYS  32  -0.933   4.214   8.503
  579    HA   CYS  32           HA       CYS  32  -1.576   2.505  10.783
  580   1HB   CYS  32          2HB       CYS  32  -1.113   1.784   8.346
  581   2HB   CYS  32          1HB       CYS  32   0.597   2.083   8.697
  582    H    ASP  33           H        ASP  33   0.537   1.367  11.748
  583    HA   ASP  33           HA       ASP  33   2.008   3.264  13.280
  584   1HB   ASP  33          2HB       ASP  33   2.689   0.345  12.676
  585   2HB   ASP  33          1HB       ASP  33   3.395   1.326  13.975
  586    H    LYS  34           H        LYS  34   4.481   3.104  13.347
  587    HA   LYS  34           HA       LYS  34   5.873   2.969  10.805
  588   1HB   LYS  34          2HB       LYS  34   6.385   5.376  10.633
  589   2HB   LYS  34          1HB       LYS  34   4.644   5.088  10.517
  590   1HG   LYS  34          2HG       LYS  34   4.377   5.755  12.901
  591   2HG   LYS  34          1HG       LYS  34   6.121   6.055  13.007
  592   1HD   LYS  34          2HD       LYS  34   5.893   7.793  11.212
  593   2HD   LYS  34          1HD       LYS  34   4.138   7.527  11.222
  594   1HE   LYS  34          2HE       LYS  34   4.009   8.271  13.571
  595   2HE   LYS  34          1HE       LYS  34   5.775   8.503  13.605
  596   1HZ   LYS  34          2HZ       LYS  34   5.556  10.108  11.835
  597   2HZ   LYS  34          1HZ       LYS  34   3.871   9.890  11.805
  598   3HZ   LYS  34          3HZ       LYS  34   4.616  10.561  13.177
   
  No H/Q in entry =         598
  Start of MODEL           8
 Raw file had  604 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   5.144 -15.587   4.230
    2   2H    GLY   1          3H        GLY   1   6.236 -15.248   5.487
    3   3H    GLY   1          2H        GLY   1   4.671 -14.587   5.518
    4   1HA   GLY   1          2HA       GLY   1   6.282 -12.934   4.878
    5   2HA   GLY   1          1HA       GLY   1   6.780 -13.977   3.533
    6    H    VAL   2           H        VAL   2   4.771 -14.798   2.251
    7    HA   VAL   2           HA       VAL   2   3.593 -12.516   0.979
    8    HB   VAL   2           HB       VAL   2   4.233 -14.600  -0.178
    9   1HG1  VAL   2          2HG1      VAL   2   3.579 -16.289   1.453
   10   2HG1  VAL   2          1HG1      VAL   2   1.860 -15.894   1.217
   11   3HG1  VAL   2          3HG1      VAL   2   2.799 -16.611  -0.110
   12   1HG2  VAL   2          1HG2      VAL   2   2.678 -13.103  -1.298
   13   2HG2  VAL   2          3HG2      VAL   2   2.288 -14.794  -1.681
   14   3HG2  VAL   2          2HG2      VAL   2   1.294 -13.900  -0.510
   15    H    ILE   3           H        ILE   3   1.480 -11.914   0.803
   16    HA   ILE   3           HA       ILE   3  -0.242 -12.442   3.137
   17    HB   ILE   3           HB       ILE   3  -0.234 -10.395   0.906
   18   1HG1  ILE   3          2HG1      ILE   3   0.269 -10.129   3.888
   19   2HG1  ILE   3          1HG1      ILE   3   1.494 -10.098   2.615
   20   1HG2  ILE   3          2HG2      ILE   3  -2.590 -10.823   1.447
   21   2HG2  ILE   3          1HG2      ILE   3  -2.248 -10.572   3.175
   22   3HG2  ILE   3          3HG2      ILE   3  -2.103  -9.222   2.026
   23   1HD1  ILE   3          2HD1      ILE   3   0.506  -8.005   1.706
   24   2HD1  ILE   3          1HD1      ILE   3  -0.714  -8.023   3.001
   25   3HD1  ILE   3          3HD1      ILE   3   1.002  -7.820   3.404
   26    HA   PRO   4           HA       PRO   4  -2.884 -15.045   0.594
   27   1HB   PRO   4          2HB       PRO   4  -4.992 -15.369   2.268
   28   2HB   PRO   4          1HB       PRO   4  -3.371 -16.008   2.699
   29   1HG   PRO   4          1HG       PRO   4  -4.634 -13.351   3.504
   30   2HG   PRO   4          2HG       PRO   4  -3.933 -14.612   4.576
   31   1HD   PRO   4          1HD       PRO   4  -2.453 -12.467   3.772
   32   2HD   PRO   4          2HD       PRO   4  -1.709 -14.093   3.926
   33    H    LYS   5           H        LYS   5  -5.102 -15.155  -0.224
   34    HA   LYS   5           HA       LYS   5  -5.744 -12.967  -1.826
   35   1HB   LYS   5          2HB       LYS   5  -6.365 -15.333  -2.266
   36   2HB   LYS   5          1HB       LYS   5  -7.546 -15.269  -0.949
   37   1HG   LYS   5          2HG       LYS   5  -8.791 -13.486  -2.183
   38   2HG   LYS   5          1HG       LYS   5  -7.620 -13.615  -3.510
   39   1HD   LYS   5          2HD       LYS   5  -8.282 -15.990  -3.848
   40   2HD   LYS   5          1HD       LYS   5  -9.465 -15.840  -2.534
   41   1HE   LYS   5          2HE       LYS   5 -10.662 -14.072  -3.834
   42   2HE   LYS   5          1HE       LYS   5  -9.488 -14.276  -5.158
   43   1HZ   LYS   5          2HZ       LYS   5 -10.150 -16.572  -5.342
   44   2HZ   LYS   5          1HZ       LYS   5 -11.271 -16.380  -4.079
   45   3HZ   LYS   5          3HZ       LYS   5 -11.487 -15.542  -5.541
   46    H    LYS   6           H        LYS   6  -7.466 -14.117   1.058
   47    HA   LYS   6           HA       LYS   6  -9.622 -12.369   1.132
   48   1HB   LYS   6          2HB       LYS   6  -9.301 -14.347   2.597
   49   2HB   LYS   6          1HB       LYS   6  -8.047 -13.486   3.492
   50   1HG   LYS   6          2HG       LYS   6 -10.910 -12.480   3.312
   51   2HG   LYS   6          1HG       LYS   6 -10.381 -13.625   4.550
   52   1HD   LYS   6          2HD       LYS   6  -8.713 -11.937   5.356
   53   2HD   LYS   6          1HD       LYS   6  -9.323 -10.781   4.164
   54   1HE   LYS   6          2HE       LYS   6 -10.306 -10.301   6.340
   55   2HE   LYS   6          1HE       LYS   6 -11.566 -10.850   5.214
   56   1HZ   LYS   6          1HZ       LYS   6 -10.186 -12.520   7.235
   57   2HZ   LYS   6          3HZ       LYS   6 -11.766 -11.907   7.358
   58   3HZ   LYS   6          2HZ       LYS   6 -11.388 -13.052   6.161
   59    H    ILE   7           H        ILE   7  -6.497 -11.939   2.773
   60    HA   ILE   7           HA       ILE   7  -6.983  -9.472   4.002
   61    HB   ILE   7           HB       ILE   7  -4.417 -10.708   2.982
   62   1HG1  ILE   7          2HG1      ILE   7  -5.576 -12.047   4.669
   63   2HG1  ILE   7          1HG1      ILE   7  -4.031 -11.431   5.268
   64   1HG2  ILE   7          1HG2      ILE   7  -4.676  -8.314   4.844
   65   2HG2  ILE   7          3HG2      ILE   7  -3.176  -9.208   4.534
   66   3HG2  ILE   7          2HG2      ILE   7  -3.972  -8.325   3.214
   67   1HD1  ILE   7          1HD1      ILE   7  -6.790 -10.298   5.945
   68   2HD1  ILE   7          3HD1      ILE   7  -5.784 -11.314   7.001
   69   3HD1  ILE   7          2HD1      ILE   7  -5.235  -9.683   6.562
   70    H    TRP   8           H        TRP   8  -5.527 -10.067   0.803
   71    HA   TRP   8           HA       TRP   8  -4.964  -7.420   0.064
   72   1HB   TRP   8          2HB       TRP   8  -5.783  -9.817  -1.632
   73   2HB   TRP   8          1HB       TRP   8  -5.280  -8.264  -2.329
   74    HD1  TRP   8          1HD       TRP   8  -3.737 -11.538  -1.425
   75    HE1  TRP   8          1HE       TRP   8  -1.236 -11.370  -1.144
   76    HE3  TRP   8          3HE       TRP   8  -3.363  -6.445  -1.153
   77    HZ2  TRP   8          2HZ       TRP   8   0.678  -9.305  -0.858
   78    HZ3  TRP   8          3HZ       TRP   8  -1.123  -5.416  -0.940
   79    HH2  TRP   8          2HH       TRP   8   0.891  -6.847  -0.816
   80    H    GLU   9           H        GLU   9  -7.879  -9.293  -0.660
   81    HA   GLU   9           HA       GLU   9  -9.301  -7.238  -1.989
   82   1HB   GLU   9          2HB       GLU   9 -10.041  -9.884  -0.768
   83   2HB   GLU   9          1HB       GLU   9 -11.328  -8.782  -1.269
   84   1HG   GLU   9          2HG       GLU   9 -10.766 -10.444  -3.031
   85   2HG   GLU   9          1HG       GLU   9 -10.520  -8.779  -3.571
   86    H    THR  10           H        THR  10  -9.119  -8.052   1.424
   87    HA   THR  10           HA       THR  10 -11.194  -6.348   2.374
   88    HB   THR  10           HB       THR  10  -8.582  -7.184   3.713
   89    HG1  THR  10           HG1      THR  10 -10.060  -8.881   3.127
   90   1HG2  THR  10          1HG2      THR  10 -11.107  -6.030   4.982
   91   2HG2  THR  10          3HG2      THR  10  -9.700  -6.671   5.861
   92   3HG2  THR  10          2HG2      THR  10  -9.534  -5.206   4.868
   93    H    VAL  11           H        VAL  11  -7.706  -5.811   1.949
   94    HA   VAL  11           HA       VAL  11  -7.972  -2.929   2.436
   95    HB   VAL  11           HB       VAL  11  -5.571  -2.857   2.319
   96   1HG1  VAL  11          2HG1      VAL  11  -6.514  -3.546   4.429
   97   2HG1  VAL  11          1HG1      VAL  11  -6.501  -5.254   3.934
   98   3HG1  VAL  11          3HG1      VAL  11  -4.967  -4.386   4.164
   99   1HG2  VAL  11          2HG2      VAL  11  -5.584  -5.761   1.426
  100   2HG2  VAL  11          1HG2      VAL  11  -5.071  -4.362   0.465
  101   3HG2  VAL  11          3HG2      VAL  11  -4.146  -4.836   1.906
  102    H    CYS  12           H        CYS  12  -9.213  -4.173   0.004
  103    HA   CYS  12           HA       CYS  12  -7.813  -3.442  -2.334
  104   1HB   CYS  12          2HB       CYS  12 -10.574  -4.158  -1.662
  105   2HB   CYS  12          1HB       CYS  12 -10.511  -2.922  -2.914
  106    HA   PRO  13           HA       PRO  13  -9.862   0.929  -2.229
  107   1HB   PRO  13          2HB       PRO  13 -11.185   1.745   0.029
  108   2HB   PRO  13          1HB       PRO  13 -11.996   0.814  -1.273
  109   1HG   PRO  13          1HG       PRO  13 -10.752  -0.229   1.315
  110   2HG   PRO  13          2HG       PRO  13 -12.394  -0.539   0.656
  111   1HD   PRO  13          1HD       PRO  13 -10.400  -2.308   0.244
  112   2HD   PRO  13          2HD       PRO  13 -11.566  -1.944  -1.073
  113    H    THR  14           H        THR  14  -8.663  -0.319   0.826
  114    HA   THR  14           HA       THR  14  -7.509   1.953   1.994
  115    HB   THR  14           HB       THR  14  -6.588  -0.954   2.073
  116    HG1  THR  14           HG1      THR  14  -7.889  -0.959   3.995
  117   1HG2  THR  14          1HG2      THR  14  -6.023   1.285   4.067
  118   2HG2  THR  14          3HG2      THR  14  -5.602  -0.431   4.276
  119   3HG2  THR  14          2HG2      THR  14  -4.828   0.518   2.993
  120    H    VAL  15           H        VAL  15  -5.907  -0.509  -0.014
  121    HA   VAL  15           HA       VAL  15  -3.414   0.933  -0.148
  122    HB   VAL  15           HB       VAL  15  -2.584  -0.815  -1.495
  123   1HG1  VAL  15          2HG1      VAL  15  -2.775  -1.352   0.858
  124   2HG1  VAL  15          1HG1      VAL  15  -4.410  -1.983   0.629
  125   3HG1  VAL  15          3HG1      VAL  15  -3.029  -2.818  -0.119
  126   1HG2  VAL  15          2HG2      VAL  15  -5.419  -1.803  -1.958
  127   2HG2  VAL  15          1HG2      VAL  15  -4.301  -1.128  -3.157
  128   3HG2  VAL  15          3HG2      VAL  15  -3.939  -2.688  -2.393
  129    H    GLU  16           H        GLU  16  -6.210   0.705  -2.198
  130    HA   GLU  16           HA       GLU  16  -5.365   1.109  -4.742
  131   1HB   GLU  16          2HB       GLU  16  -7.692   0.790  -4.113
  132   2HB   GLU  16          1HB       GLU  16  -7.777   2.401  -3.414
  133   1HG   GLU  16          2HG       GLU  16  -7.255   1.829  -6.369
  134   2HG   GLU  16          1HG       GLU  16  -8.859   2.143  -5.689
  135    HA   PRO  17           HA       PRO  17  -5.410   5.928  -4.588
  136   1HB   PRO  17          2HB       PRO  17  -4.973   7.179  -2.166
  137   2HB   PRO  17          1HB       PRO  17  -6.607   6.775  -2.785
  138   1HG   PRO  17          1HG       PRO  17  -4.854   5.171  -0.869
  139   2HG   PRO  17          2HG       PRO  17  -6.572   5.654  -0.679
  140   1HD   PRO  17          1HD       PRO  17  -5.980   3.205  -1.593
  141   2HD   PRO  17          2HD       PRO  17  -7.311   4.136  -2.360
  142    H    TRP  18           H        TRP  18  -3.381   4.476  -2.062
  143    HA   TRP  18           HA       TRP  18  -1.078   6.108  -2.497
  144   1HB   TRP  18          2HB       TRP  18  -1.140   3.292  -1.328
  145   2HB   TRP  18          1HB       TRP  18   0.137   4.505  -1.117
  146    HD1  TRP  18          1HD       TRP  18  -1.652   7.126  -0.331
  147    HE1  TRP  18          1HE       TRP  18  -2.887   7.232   1.859
  148    HE3  TRP  18          3HE       TRP  18  -1.835   2.115   0.656
  149    HZ2  TRP  18          2HZ       TRP  18  -3.853   5.391   3.786
  150    HZ3  TRP  18          3HZ       TRP  18  -2.927   1.336   2.734
  151    HH2  TRP  18          2HH       TRP  18  -3.934   2.972   4.296
  152    H    ALA  19           H        ALA  19  -1.640   2.703  -3.335
  153    HA   ALA  19           HA       ALA  19   0.633   2.150  -4.826
  154   1HB   ALA  19          2HB       ALA  19  -0.994   0.440  -4.112
  155   2HB   ALA  19          1HB       ALA  19  -2.198   1.087  -5.251
  156   3HB   ALA  19          3HB       ALA  19  -0.705   0.331  -5.863
  157    H    LYS  20           H        LYS  20  -2.443   3.435  -5.984
  158    HA   LYS  20           HA       LYS  20  -1.922   3.649  -8.743
  159   1HB   LYS  20          2HB       LYS  20  -4.130   3.960  -7.629
  160   2HB   LYS  20          1HB       LYS  20  -3.569   5.484  -6.941
  161   1HG   LYS  20          2HG       LYS  20  -3.754   4.980  -9.934
  162   2HG   LYS  20          1HG       LYS  20  -5.097   5.617  -8.978
  163   1HD   LYS  20          2HD       LYS  20  -3.655   7.566  -8.324
  164   2HD   LYS  20          1HD       LYS  20  -2.381   6.957  -9.391
  165   1HE   LYS  20          2HE       LYS  20  -3.627   8.712 -10.530
  166   2HE   LYS  20          1HE       LYS  20  -3.915   7.158 -11.343
  167   1HZ   LYS  20          2HZ       LYS  20  -5.978   6.962 -10.116
  168   2HZ   LYS  20          1HZ       LYS  20  -5.693   8.452  -9.352
  169   3HZ   LYS  20          3HZ       LYS  20  -5.949   8.395 -11.030
  170    H    LYS  21           H        LYS  21  -1.585   6.123  -6.213
  171    HA   LYS  21           HA       LYS  21   0.144   7.814  -7.860
  172   1HB   LYS  21          2HB       LYS  21  -0.798   8.045  -4.975
  173   2HB   LYS  21          1HB       LYS  21   0.139   9.279  -5.835
  174   1HG   LYS  21          2HG       LYS  21  -1.718   9.538  -7.465
  175   2HG   LYS  21          1HG       LYS  21  -2.641   8.292  -6.610
  176   1HD   LYS  21          2HD       LYS  21  -3.446  10.506  -5.971
  177   2HD   LYS  21          1HD       LYS  21  -2.698   9.707  -4.581
  178   1HE   LYS  21          2HE       LYS  21  -0.622  11.052  -4.932
  179   2HE   LYS  21          1HE       LYS  21  -1.397  11.861  -6.317
  180   1HZ   LYS  21          2HZ       LYS  21  -3.114  12.648  -4.837
  181   2HZ   LYS  21          1HZ       LYS  21  -2.371  11.873  -3.520
  182   3HZ   LYS  21          3HZ       LYS  21  -1.581  13.155  -4.306
  183    H    CYS  22           H        CYS  22   1.412   5.499  -7.743
  184    HA   CYS  22           HA       CYS  22   3.868   6.056  -6.293
  185   1HB   CYS  22          2HB       CYS  22   2.380   4.930  -4.572
  186   2HB   CYS  22          1HB       CYS  22   2.356   3.490  -5.607
  187    H    SER  23           H        SER  23   5.462   4.282  -6.639
  188    HA   SER  23           HA       SER  23   5.105   2.743  -9.137
  189   1HB   SER  23          2HB       SER  23   7.254   4.881  -8.719
  190   2HB   SER  23          1HB       SER  23   7.177   3.764 -10.098
  191    HG   SER  23           HG       SER  23   5.148   5.649  -9.385
  192    H    GLY  24           H        GLY  24   7.363   1.755  -9.673
  193   1HA   GLY  24          2HA       GLY  24   9.252   0.505  -8.991
  194   2HA   GLY  24          1HA       GLY  24   8.810   0.779  -7.299
  195    H    ASP  25           H        ASP  25   9.546  -1.589  -7.678
  196    HA   ASP  25           HA       ASP  25   7.935  -3.547  -8.899
  197   1HB   ASP  25          2HB       ASP  25   9.788  -3.820  -6.482
  198   2HB   ASP  25          1HB       ASP  25   9.192  -5.158  -7.482
  199    H    ILE  26           H        ILE  26   8.011  -2.475  -5.520
  200    HA   ILE  26           HA       ILE  26   6.136  -4.322  -4.473
  201    HB   ILE  26           HB       ILE  26   6.670  -1.498  -3.492
  202   1HG1  ILE  26          2HG1      ILE  26   8.819  -2.614  -3.732
  203   2HG1  ILE  26          1HG1      ILE  26   8.406  -2.419  -2.030
  204   1HG2  ILE  26          1HG2      ILE  26   5.666  -3.972  -2.024
  205   2HG2  ILE  26          3HG2      ILE  26   6.075  -2.421  -1.261
  206   3HG2  ILE  26          2HG2      ILE  26   4.728  -2.516  -2.416
  207   1HD1  ILE  26          1HD1      ILE  26   8.131  -5.007  -3.630
  208   2HD1  ILE  26          3HD1      ILE  26   9.408  -4.637  -2.448
  209   3HD1  ILE  26          2HD1      ILE  26   7.723  -4.810  -1.908
  210    H    ALA  27           H        ALA  27   5.696  -0.988  -5.618
  211    HA   ALA  27           HA       ALA  27   2.950  -0.652  -5.188
  212   1HB   ALA  27          2HB       ALA  27   4.440   1.178  -5.916
  213   2HB   ALA  27          1HB       ALA  27   4.640   0.402  -7.504
  214   3HB   ALA  27          3HB       ALA  27   3.050   1.031  -7.016
  215    H    THR  28           H        THR  28   4.612  -2.022  -7.993
  216    HA   THR  28           HA       THR  28   2.393  -2.528  -9.666
  217    HB   THR  28           HB       THR  28   5.035  -4.042  -9.442
  218    HG1  THR  28           HG1      THR  28   5.634  -2.581 -11.128
  219   1HG2  THR  28          1HG2      THR  28   3.087  -3.884 -11.789
  220   2HG2  THR  28          3HG2      THR  28   4.688  -4.658 -11.810
  221   3HG2  THR  28          2HG2      THR  28   3.395  -5.325 -10.791
  222    H    TYR  29           H        TYR  29   3.995  -4.614  -7.288
  223    HA   TYR  29           HA       TYR  29   2.534  -6.986  -7.669
  224   1HB   TYR  29          2HB       TYR  29   4.557  -7.004  -6.370
  225   2HB   TYR  29          1HB       TYR  29   3.917  -5.825  -5.222
  226    HD1  TYR  29          1HD       TYR  29   2.852  -9.171  -6.618
  227    HD2  TYR  29          2HD       TYR  29   3.348  -6.677  -3.156
  228    HE1  TYR  29          1HE       TYR  29   2.024 -11.000  -5.178
  229    HE2  TYR  29          2HE       TYR  29   2.537  -8.512  -1.718
  230    HH   TYR  29           HH       TYR  29   1.485 -11.637  -3.094
  231    H    ILE  30           H        ILE  30   2.054  -4.532  -5.153
  232    HA   ILE  30           HA       ILE  30  -0.268  -5.459  -3.932
  233    HB   ILE  30           HB       ILE  30   0.676  -2.611  -4.439
  234   1HG1  ILE  30          2HG1      ILE  30   1.012  -4.289  -1.928
  235   2HG1  ILE  30          1HG1      ILE  30   2.240  -4.189  -3.193
  236   1HG2  ILE  30          1HG2      ILE  30  -1.388  -3.576  -2.413
  237   2HG2  ILE  30          3HG2      ILE  30  -0.707  -1.934  -2.489
  238   3HG2  ILE  30          2HG2      ILE  30  -1.700  -2.542  -3.827
  239   1HD1  ILE  30          1HD1      ILE  30   1.169  -1.831  -1.571
  240   2HD1  ILE  30          3HD1      ILE  30   2.749  -2.616  -1.358
  241   3HD1  ILE  30          2HD1      ILE  30   2.396  -1.732  -2.857
  242    H    LYS  31           H        LYS  31   0.048  -3.317  -6.719
  243    HA   LYS  31           HA       LYS  31  -2.637  -2.629  -7.164
  244   1HB   LYS  31          2HB       LYS  31  -0.598  -1.628  -8.275
  245   2HB   LYS  31          1HB       LYS  31  -0.479  -3.077  -9.274
  246   1HG   LYS  31          2HG       LYS  31  -1.558  -1.297 -10.536
  247   2HG   LYS  31          1HG       LYS  31  -2.710  -2.606 -10.246
  248   1HD   LYS  31          2HD       LYS  31  -3.796  -0.431  -9.943
  249   2HD   LYS  31          1HD       LYS  31  -3.746  -1.303  -8.406
  250   1HE   LYS  31          2HE       LYS  31  -1.781   0.073  -7.701
  251   2HE   LYS  31          1HE       LYS  31  -1.862   0.958  -9.241
  252   1HZ   LYS  31          2HZ       LYS  31  -4.091   1.647  -8.677
  253   2HZ   LYS  31          1HZ       LYS  31  -4.009   0.804  -7.204
  254   3HZ   LYS  31          3HZ       LYS  31  -2.987   2.131  -7.480
  255    H    ARG  32           H        ARG  32  -0.767  -5.380  -8.376
  256    HA   ARG  32           HA       ARG  32  -2.733  -6.597 -10.007
  257   1HB   ARG  32          2HB       ARG  32  -0.342  -7.219 -10.056
  258   2HB   ARG  32          1HB       ARG  32  -0.469  -7.892  -8.424
  259   1HG   ARG  32          2HG       ARG  32  -2.114  -9.570  -9.246
  260   2HG   ARG  32          1HG       ARG  32  -1.936  -8.920 -10.884
  261   1HD   ARG  32          2HD       ARG  32   0.452  -9.563 -10.896
  262   2HD   ARG  32          1HD       ARG  32   0.306 -10.166  -9.227
  263    HE   ARG  32           HE       ARG  32  -1.672 -11.438 -10.795
  264   1HH1  ARG  32          2HH2      ARG  32   1.823 -11.321 -10.474
  265   2HH1  ARG  32          1HH2      ARG  32   2.047 -12.941 -11.044
  266   1HH2  ARG  32          2HH1      ARG  32  -1.359 -13.559 -11.546
  267   2HH2  ARG  32          1HH1      ARG  32   0.246 -14.208 -11.650
  268    H    GLU  33           H        GLU  33  -2.073  -6.913  -6.539
  269    HA   GLU  33           HA       GLU  33  -3.501  -9.278  -6.024
  270   1HB   GLU  33          2HB       GLU  33  -3.241  -6.961  -4.071
  271   2HB   GLU  33          1HB       GLU  33  -3.453  -8.677  -3.708
  272   1HG   GLU  33          2HG       GLU  33  -0.983  -7.345  -4.866
  273   2HG   GLU  33          1HG       GLU  33  -1.144  -8.050  -3.267
  274    H    CYS  34           H        CYS  34  -4.625  -5.961  -5.332
  275    HA   CYS  34           HA       CYS  34  -7.371  -6.725  -4.953
  276   1HB   CYS  34          2HB       CYS  34  -6.509  -4.703  -3.892
  277   2HB   CYS  34          1HB       CYS  34  -6.115  -3.995  -5.472
  278    H    GLY  35           H        GLY  35  -5.661  -5.067  -7.577
  279   1HA   GLY  35          2HA       GLY  35  -7.870  -4.506  -9.243
  280   2HA   GLY  35          1HA       GLY  35  -6.182  -4.576  -9.772
  281    H    LYS  36           H        LYS  36  -5.313  -6.855 -10.008
  282    HA   LYS  36           HA       LYS  36  -6.971  -8.400 -11.796
  283   1HB   LYS  36          2HB       LYS  36  -4.394  -8.127 -11.837
  284   2HB   LYS  36          1HB       LYS  36  -4.357  -9.347 -10.563
  285   1HG   LYS  36          2HG       LYS  36  -5.610  -9.742 -13.312
  286   2HG   LYS  36          1HG       LYS  36  -3.982 -10.252 -12.872
  287   1HD   LYS  36          2HD       LYS  36  -6.539 -11.309 -11.578
  288   2HD   LYS  36          1HD       LYS  36  -5.653 -12.104 -12.877
  289   1HE   LYS  36          2HE       LYS  36  -4.453 -11.498 -10.133
  290   2HE   LYS  36          1HE       LYS  36  -5.150 -13.062 -10.615
  291   1HZ   LYS  36          2HZ       LYS  36  -3.553 -13.178 -12.401
  292   2HZ   LYS  36          1HZ       LYS  36  -2.894 -11.681 -11.947
  293   3HZ   LYS  36          3HZ       LYS  36  -2.767 -13.015 -10.903
  294    H    LEU  37           H        LEU  37  -8.745  -9.007 -10.686
  295    HA   LEU  37           HA       LEU  37  -8.603 -11.306  -8.913
  296   1HB   LEU  37          2HB       LEU  37  -8.135  -9.369  -7.394
  297   2HB   LEU  37          1HB       LEU  37  -9.650  -8.626  -7.892
  298    HG   LEU  37           HG       LEU  37  -9.648  -9.696  -5.644
  299   1HD1  LEU  37          2HD1      LEU  37 -11.783  -9.253  -6.733
  300   2HD1  LEU  37          1HD1      LEU  37 -11.733 -10.832  -7.547
  301   3HD1  LEU  37          3HD1      LEU  37 -11.856 -10.754  -5.782
  302   1HD2  LEU  37          1HD2      LEU  37  -8.284 -11.663  -6.074
  303   2HD2  LEU  37          3HD2      LEU  37  -9.880 -12.154  -5.458
  304   3HD2  LEU  37          2HD2      LEU  37  -9.511 -12.310  -7.190
  305   1H    TRP   1          2H        TRP   1 -13.307  -1.835   9.257
  306   2H    TRP   1          1H        TRP   1 -11.750  -1.426   8.708
  307   3H    TRP   1          3H        TRP   1 -13.070  -1.375   7.637
  308    HA   TRP   1           HA       TRP   1 -13.378  -3.729   7.873
  309   1HB   TRP   1          2HB       TRP   1 -11.079  -4.377   6.766
  310   2HB   TRP   1          1HB       TRP   1 -12.234  -3.331   5.927
  311    HD1  TRP   1          1HD       TRP   1 -11.688  -0.449   6.375
  312    HE1  TRP   1          1HE       TRP   1  -9.460   0.716   6.240
  313    HE3  TRP   1          3HE       TRP   1  -8.673  -4.527   7.063
  314    HZ2  TRP   1          2HZ       TRP   1  -6.734  -0.007   6.387
  315    HZ3  TRP   1          3HZ       TRP   1  -6.219  -4.211   7.034
  316    HH2  TRP   1          2HH       TRP   1  -5.257  -1.963   6.664
  317    H    SER   2           H        SER   2 -10.050  -3.091   9.049
  318    HA   SER   2           HA       SER   2 -10.481  -4.448  11.552
  319   1HB   SER   2          2HB       SER   2 -10.515  -6.445  10.079
  320   2HB   SER   2          1HB       SER   2  -8.957  -5.966   9.382
  321    HG   SER   2           HG       SER   2  -8.735  -7.537  11.085
  322    H    THR   3           H        THR   3  -8.780  -4.452  12.903
  323    HA   THR   3           HA       THR   3  -6.577  -2.608  12.410
  324    HB   THR   3           HB       THR   3  -7.289  -4.335  14.823
  325    HG1  THR   3           HG1      THR   3  -7.720  -1.570  14.258
  326   1HG2  THR   3          1HG2      THR   3  -5.314  -2.010  14.634
  327   2HG2  THR   3          3HG2      THR   3  -5.798  -2.848  16.126
  328   3HG2  THR   3          2HG2      THR   3  -4.883  -3.720  14.878
  329    H    ILE   4           H        ILE   4  -6.965  -6.050  13.165
  330    HA   ILE   4           HA       ILE   4  -4.254  -6.815  13.231
  331    HB   ILE   4           HB       ILE   4  -6.777  -8.356  12.560
  332   1HG1  ILE   4          2HG1      ILE   4  -6.398  -9.435  14.785
  333   2HG1  ILE   4          1HG1      ILE   4  -5.068  -8.311  15.069
  334   1HG2  ILE   4          1HG2      ILE   4  -3.998  -9.533  12.943
  335   2HG2  ILE   4          3HG2      ILE   4  -5.512 -10.465  12.877
  336   3HG2  ILE   4          2HG2      ILE   4  -4.967  -9.558  11.453
  337   1HD1  ILE   4          1HD1      ILE   4  -7.990  -7.512  14.675
  338   2HD1  ILE   4          3HD1      ILE   4  -7.135  -7.614  16.233
  339   3HD1  ILE   4          2HD1      ILE   4  -6.641  -6.402  15.039
  340    H    VAL   5           H        VAL   5  -6.585  -7.023  10.565
  341    HA   VAL   5           HA       VAL   5  -4.904  -7.956   8.517
  342    HB   VAL   5           HB       VAL   5  -7.238  -6.014   8.310
  343   1HG1  VAL   5          2HG1      VAL   5  -5.949  -6.052   6.205
  344   2HG1  VAL   5          1HG1      VAL   5  -6.056  -7.824   6.168
  345   3HG1  VAL   5          3HG1      VAL   5  -7.526  -6.842   5.998
  346   1HG2  VAL   5          1HG2      VAL   5  -7.894  -8.088   9.468
  347   2HG2  VAL   5          3HG2      VAL   5  -8.623  -8.023   7.849
  348   3HG2  VAL   5          2HG2      VAL   5  -7.209  -9.059   8.149
  349    H    LYS   6           H        LYS   6  -5.492  -4.662   9.655
  350    HA   LYS   6           HA       LYS   6  -4.080  -3.239   7.664
  351   1HB   LYS   6          2HB       LYS   6  -5.655  -2.274   9.401
  352   2HB   LYS   6          1HB       LYS   6  -4.350  -2.425  10.585
  353   1HG   LYS   6          2HG       LYS   6  -2.935  -0.904   9.291
  354   2HG   LYS   6          1HG       LYS   6  -4.162  -0.801   8.015
  355   1HD   LYS   6          2HD       LYS   6  -5.758   0.157   9.743
  356   2HD   LYS   6          1HD       LYS   6  -4.407   0.194  10.888
  357   1HE   LYS   6          2HE       LYS   6  -4.679   2.414   9.905
  358   2HE   LYS   6          1HE       LYS   6  -3.159   1.701   9.311
  359   1HZ   LYS   6          1HZ       LYS   6  -5.752   1.703   7.876
  360   2HZ   LYS   6          3HZ       LYS   6  -4.429   2.716   7.541
  361   3HZ   LYS   6          2HZ       LYS   6  -4.296   1.037   7.309
  362    H    LEU   7           H        LEU   7  -2.974  -4.455  10.811
  363    HA   LEU   7           HA       LEU   7  -0.308  -3.559  10.750
  364   1HB   LEU   7          2HB       LEU   7  -1.469  -6.101  11.970
  365   2HB   LEU   7          1HB       LEU   7   0.143  -5.465  12.315
  366    HG   LEU   7           HG       LEU   7  -2.464  -4.000  12.870
  367   1HD1  LEU   7          2HD1      LEU   7  -2.262  -5.958  14.325
  368   2HD1  LEU   7          1HD1      LEU   7  -0.619  -5.464  14.798
  369   3HD1  LEU   7          3HD1      LEU   7  -2.018  -4.466  15.258
  370   1HD2  LEU   7          2HD2      LEU   7   0.384  -3.288  13.665
  371   2HD2  LEU   7          1HD2      LEU   7  -0.629  -2.424  12.485
  372   3HD2  LEU   7          3HD2      LEU   7  -1.083  -2.439  14.200
  373    H    THR   8           H        THR   8  -1.738  -6.525   9.478
  374    HA   THR   8           HA       THR   8   0.589  -7.879   8.647
  375    HB   THR   8           HB       THR   8  -2.196  -7.914   7.396
  376    HG1  THR   8           HG1      THR   8  -2.126  -8.431   9.645
  377   1HG2  THR   8          1HG2      THR   8   0.013 -10.015   7.262
  378   2HG2  THR   8          3HG2      THR   8  -1.643 -10.196   6.635
  379   3HG2  THR   8          2HG2      THR   8  -0.543  -9.004   5.908
  380    H    ILE   9           H        ILE   9  -1.503  -5.643   6.845
  381    HA   ILE   9           HA       ILE   9   0.071  -5.800   4.433
  382    HB   ILE   9           HB       ILE   9  -2.342  -5.449   4.375
  383   1HG1  ILE   9          2HG1      ILE   9  -2.457  -3.639   2.694
  384   2HG1  ILE   9          1HG1      ILE   9  -0.821  -3.141   3.129
  385   1HG2  ILE   9          1HG2      ILE   9  -1.806  -2.711   5.576
  386   2HG2  ILE   9          3HG2      ILE   9  -3.347  -3.236   4.865
  387   3HG2  ILE   9          2HG2      ILE   9  -2.718  -4.056   6.305
  388   1HD1  ILE   9          1HD1      ILE   9  -1.599  -5.851   1.956
  389   2HD1  ILE   9          3HD1      ILE   9  -0.817  -4.514   1.079
  390   3HD1  ILE   9          2HD1      ILE   9   0.055  -5.349   2.382
  391    H    CYS  10           H        CYS  10   0.255  -3.810   7.257
  392    HA   CYS  10           HA       CYS  10   1.147  -1.359   6.375
  393   1HB   CYS  10          2HB       CYS  10   2.130  -2.893   8.797
  394   2HB   CYS  10          1HB       CYS  10   2.562  -1.217   8.455
  395    HA   PRO  11           HA       PRO  11   5.837  -2.663   6.449
  396   1HB   PRO  11          2HB       PRO  11   6.376  -5.325   5.864
  397   2HB   PRO  11          1HB       PRO  11   6.251  -4.665   7.526
  398   1HG   PRO  11          1HG       PRO  11   4.093  -6.031   5.859
  399   2HG   PRO  11          2HG       PRO  11   4.595  -6.378   7.550
  400   1HD   PRO  11          1HD       PRO  11   2.456  -4.837   7.118
  401   2HD   PRO  11          2HD       PRO  11   3.645  -4.335   8.366
  402    H    THR  12           H        THR  12   3.771  -4.633   4.353
  403    HA   THR  12           HA       THR  12   5.254  -4.557   1.957
  404    HB   THR  12           HB       THR  12   2.218  -4.545   2.297
  405    HG1  THR  12           HG1      THR  12   4.086  -6.702   2.193
  406   1HG2  THR  12          1HG2      THR  12   3.935  -5.590   0.001
  407   2HG2  THR  12          3HG2      THR  12   2.169  -5.753   0.150
  408   3HG2  THR  12          2HG2      THR  12   2.898  -4.146  -0.048
  409    H    LEU  13           H        LEU  13   2.740  -2.374   3.160
  410    HA   LEU  13           HA       LEU  13   2.720  -0.555   0.971
  411   1HB   LEU  13          2HB       LEU  13   1.883  -0.171   3.877
  412   2HB   LEU  13          1HB       LEU  13   1.530   0.965   2.564
  413    HG   LEU  13           HG       LEU  13   0.631  -1.930   2.636
  414   1HD1  LEU  13          1HD1      LEU  13  -0.942   0.612   3.231
  415   2HD1  LEU  13          3HD1      LEU  13  -1.645  -1.018   3.085
  416   3HD1  LEU  13          2HD1      LEU  13  -0.502  -0.657   4.397
  417   1HD2  LEU  13          1HD2      LEU  13   0.873  -1.098   0.343
  418   2HD2  LEU  13          3HD2      LEU  13  -0.836  -1.324   0.747
  419   3HD2  LEU  13          2HD2      LEU  13  -0.138   0.315   0.728
  420    H    LYS  14           H        LYS  14   4.681  -0.667   3.885
  421    HA   LYS  14           HA       LYS  14   5.854   1.940   3.594
  422   1HB   LYS  14          2HB       LYS  14   6.828  -0.536   5.070
  423   2HB   LYS  14          1HB       LYS  14   7.621   1.041   5.152
  424   1HG   LYS  14          2HG       LYS  14   4.757   0.441   6.020
  425   2HG   LYS  14          1HG       LYS  14   6.138   0.634   7.102
  426   1HD   LYS  14          2HD       LYS  14   5.009   2.803   5.271
  427   2HD   LYS  14          1HD       LYS  14   4.681   2.656   7.000
  428   1HE   LYS  14          2HE       LYS  14   7.437   3.153   5.778
  429   2HE   LYS  14          1HE       LYS  14   6.394   4.391   6.514
  430   1HZ   LYS  14          1HZ       LYS  14   7.457   1.988   7.879
  431   2HZ   LYS  14          3HZ       LYS  14   8.036   3.575   8.061
  432   3HZ   LYS  14          2HZ       LYS  14   6.467   3.178   8.578
  433    H    SER  15           H        SER  15   6.791  -1.289   2.521
  434    HA   SER  15           HA       SER  15   9.265  -0.658   1.285
  435   1HB   SER  15          2HB       SER  15   7.213  -2.788   0.514
  436   2HB   SER  15          1HB       SER  15   8.901  -2.726  -0.040
  437    HG   SER  15           HG       SER  15   8.068  -2.899   2.688
  438    H    MET  16           H        MET  16   5.951  -0.611   0.077
  439    HA   MET  16           HA       MET  16   6.414   0.297  -2.576
  440   1HB   MET  16          2HB       MET  16   4.254  -0.623  -1.725
  441   2HB   MET  16          1HB       MET  16   4.049   0.807  -0.711
  442   1HG   MET  16          2HG       MET  16   3.939   2.235  -2.712
  443   2HG   MET  16          1HG       MET  16   4.176   0.820  -3.753
  444   1HE   MET  16          1HE       MET  16   1.770   2.769  -1.332
  445   2HE   MET  16          3HE       MET  16   0.402   1.643  -1.160
  446   3HE   MET  16          2HE       MET  16   1.977   1.240  -0.444
  447    H    ALA  17           H        ALA  17   5.904   1.971   0.465
  448    HA   ALA  17           HA       ALA  17   5.651   4.639  -0.409
  449   1HB   ALA  17          1HB       ALA  17   6.711   3.558   2.240
  450   2HB   ALA  17          3HB       ALA  17   6.213   5.228   1.942
  451   3HB   ALA  17          2HB       ALA  17   5.015   3.919   1.848
  452    H    LYS  18           H        LYS  18   8.480   2.668   0.025
  453    HA   LYS  18           HA       LYS  18  10.566   4.415   0.418
  454   1HB   LYS  18          2HB       LYS  18  10.490   2.098  -1.569
  455   2HB   LYS  18          1HB       LYS  18  11.961   2.858  -0.959
  456   1HG   LYS  18          2HG       LYS  18   9.963   1.529   0.894
  457   2HG   LYS  18          1HG       LYS  18  11.224   0.615   0.076
  458   1HD   LYS  18          2HD       LYS  18  11.925   1.100   2.333
  459   2HD   LYS  18          1HD       LYS  18  12.953   1.986   1.204
  460   1HE   LYS  18          2HE       LYS  18  11.868   4.083   1.738
  461   2HE   LYS  18          1HE       LYS  18  10.613   3.256   2.700
  462   1HZ   LYS  18          1HZ       LYS  18  13.528   3.306   3.248
  463   2HZ   LYS  18          3HZ       LYS  18  12.343   4.200   4.072
  464   3HZ   LYS  18          2HZ       LYS  18  12.357   2.504   4.181
  465    H    LYS  19           H        LYS  19   8.875   3.862  -2.639
  466    HA   LYS  19           HA       LYS  19   9.904   6.435  -3.638
  467   1HB   LYS  19          2HB       LYS  19  11.523   4.644  -4.369
  468   2HB   LYS  19          1HB       LYS  19  10.204   3.873  -5.263
  469   1HG   LYS  19          2HG       LYS  19   9.955   5.916  -6.659
  470   2HG   LYS  19          1HG       LYS  19  11.250   6.701  -5.740
  471   1HD   LYS  19          2HD       LYS  19  12.847   4.962  -6.516
  472   2HD   LYS  19          1HD       LYS  19  11.548   4.184  -7.439
  473   1HE   LYS  19          2HE       LYS  19  11.303   6.228  -8.831
  474   2HE   LYS  19          1HE       LYS  19  12.598   7.018  -7.901
  475   1HZ   LYS  19          2HZ       LYS  19  14.098   5.276  -8.589
  476   2HZ   LYS  19          1HZ       LYS  19  12.862   4.523  -9.478
  477   3HZ   LYS  19          3HZ       LYS  19  13.426   6.058  -9.938
  478    H    CYS  20           H        CYS  20   7.512   6.405  -2.844
  479    HA   CYS  20           HA       CYS  20   5.694   5.957  -5.121
  480   1HB   CYS  20          2HB       CYS  20   5.219   7.022  -2.315
  481   2HB   CYS  20          1HB       CYS  20   3.967   6.966  -3.565
  482    H    GLU  21           H        GLU  21   4.147   7.708  -5.586
  483    HA   GLU  21           HA       GLU  21   5.619  10.011  -6.613
  484   1HB   GLU  21          2HB       GLU  21   2.653   9.304  -6.819
  485   2HB   GLU  21          1HB       GLU  21   3.536  10.461  -7.822
  486   1HG   GLU  21          2HG       GLU  21   4.823   8.714  -8.883
  487   2HG   GLU  21          1HG       GLU  21   4.255   7.495  -7.735
  488    H    GLY  22           H        GLY  22   5.012  12.151  -6.301
  489   1HA   GLY  22          2HA       GLY  22   4.468  14.066  -5.145
  490   2HA   GLY  22          1HA       GLY  22   3.024  13.203  -4.602
  491    H    SER  23           H        SER  23   2.991  12.241  -2.627
  492    HA   SER  23           HA       SER  23   5.272  11.924  -0.891
  493   1HB   SER  23          2HB       SER  23   4.534  13.537   0.866
  494   2HB   SER  23          1HB       SER  23   4.988  14.367  -0.636
  495    HG   SER  23           HG       SER  23   2.320  13.703   0.162
  496    H    ILE  24           H        ILE  24   3.392  10.246  -1.908
  497    HA   ILE  24           HA       ILE  24   1.182   9.645  -0.218
  498    HB   ILE  24           HB       ILE  24   2.743   8.169  -2.324
  499   1HG1  ILE  24          2HG1      ILE  24   1.310   9.941  -3.129
  500   2HG1  ILE  24          1HG1      ILE  24   0.701   8.365  -3.646
  501   1HG2  ILE  24          1HG2      ILE  24   0.389   6.965  -0.844
  502   2HG2  ILE  24          3HG2      ILE  24   1.099   6.336  -2.352
  503   3HG2  ILE  24          2HG2      ILE  24   2.062   6.364  -0.864
  504   1HD1  ILE  24          2HD1      ILE  24  -1.042   8.434  -1.894
  505   2HD1  ILE  24          1HD1      ILE  24  -0.441  10.021  -1.351
  506   3HD1  ILE  24          3HD1      ILE  24  -1.146   9.842  -2.970
  507    H    ALA  25           H        ALA  25   4.522   8.625  -0.186
  508    HA   ALA  25           HA       ALA  25   4.620   6.431   1.446
  509   1HB   ALA  25          2HB       ALA  25   6.598   7.534   0.455
  510   2HB   ALA  25          1HB       ALA  25   6.417   8.901   1.576
  511   3HB   ALA  25          3HB       ALA  25   6.841   7.291   2.203
  512    H    THR  26           H        THR  26   4.321   9.781   2.504
  513    HA   THR  26           HA       THR  26   4.482   9.517   5.284
  514    HB   THR  26           HB       THR  26   2.788  11.442   3.634
  515    HG1  THR  26           HG1      THR  26   4.668  12.769   3.876
  516   1HG2  THR  26          1HG2      THR  26   3.837  11.746   6.488
  517   2HG2  THR  26          3HG2      THR  26   2.996  13.001   5.548
  518   3HG2  THR  26          2HG2      THR  26   2.131  11.525   6.032
  519    H    MET  27           H        MET  27   1.619   9.319   3.195
  520    HA   MET  27           HA       MET  27  -0.411   9.120   5.097
  521   1HB   MET  27          2HB       MET  27  -0.210   7.810   2.357
  522   2HB   MET  27          1HB       MET  27  -1.655   7.761   3.361
  523   1HG   MET  27          2HG       MET  27  -1.809   9.477   1.613
  524   2HG   MET  27          1HG       MET  27  -1.927  10.162   3.235
  525   1HE   MET  27          1HE       MET  27   0.363  11.194   4.490
  526   2HE   MET  27          3HE       MET  27   0.900  12.607   3.552
  527   3HE   MET  27          2HE       MET  27  -0.837  12.313   3.806
  528    H    ILE  28           H        ILE  28   1.438   6.448   3.639
  529    HA   ILE  28           HA       ILE  28   0.102   4.311   4.934
  530    HB   ILE  28           HB       ILE  28   2.944   4.506   3.882
  531   1HG1  ILE  28          2HG1      ILE  28   2.081   3.002   2.054
  532   2HG1  ILE  28          1HG1      ILE  28   0.447   3.278   2.666
  533   1HG2  ILE  28          2HG2      ILE  28   2.884   2.732   5.574
  534   2HG2  ILE  28          1HG2      ILE  28   1.467   2.004   4.788
  535   3HG2  ILE  28          3HG2      ILE  28   3.037   2.037   3.950
  536   1HD1  ILE  28          1HD1      ILE  28   2.321   5.431   1.594
  537   2HD1  ILE  28          3HD1      ILE  28   0.967   4.694   0.711
  538   3HD1  ILE  28          2HD1      ILE  28   0.640   5.688   2.138
  539    H    LYS  29           H        LYS  29   3.049   6.062   5.810
  540    HA   LYS  29           HA       LYS  29   3.850   4.626   8.078
  541   1HB   LYS  29          2HB       LYS  29   5.119   6.428   6.843
  542   2HB   LYS  29          1HB       LYS  29   4.099   7.631   7.629
  543   1HG   LYS  29          2HG       LYS  29   5.873   5.685   9.150
  544   2HG   LYS  29          1HG       LYS  29   6.398   7.289   8.636
  545   1HD   LYS  29          2HD       LYS  29   4.544   8.289  10.013
  546   2HD   LYS  29          1HD       LYS  29   4.166   6.664  10.618
  547   1HE   LYS  29          2HE       LYS  29   6.422   6.473  11.591
  548   2HE   LYS  29          1HE       LYS  29   6.824   8.101  10.982
  549   1HZ   LYS  29          2HZ       LYS  29   5.021   8.988  12.293
  550   2HZ   LYS  29          1HZ       LYS  29   4.642   7.443  12.875
  551   3HZ   LYS  29          3HZ       LYS  29   6.127   8.160  13.277
  552    H    LYS  30           H        LYS  30   1.795   7.526   7.918
  553    HA   LYS  30           HA       LYS  30   1.254   7.680  10.696
  554   1HB   LYS  30          2HB       LYS  30   0.059   8.968   8.258
  555   2HB   LYS  30          1HB       LYS  30  -0.782   9.111   9.812
  556   1HG   LYS  30          2HG       LYS  30   0.661  11.039   9.509
  557   2HG   LYS  30          1HG       LYS  30   1.269  10.054  10.841
  558   1HD   LYS  30          2HD       LYS  30   2.924   9.039   9.128
  559   2HD   LYS  30          1HD       LYS  30   2.417  10.340   8.042
  560   1HE   LYS  30          2HE       LYS  30   4.476  10.982   9.198
  561   2HE   LYS  30          1HE       LYS  30   3.142  12.018   9.754
  562   1HZ   LYS  30          2HZ       LYS  30   2.890  10.587  11.672
  563   2HZ   LYS  30          1HZ       LYS  30   4.168   9.607  11.140
  564   3HZ   LYS  30          3HZ       LYS  30   4.465  11.217  11.591
  565    H    LYS  31           H        LYS  31  -0.584   6.234   8.073
  566    HA   LYS  31           HA       LYS  31  -2.971   5.575   9.338
  567   1HB   LYS  31          2HB       LYS  31  -1.332   4.201   7.181
  568   2HB   LYS  31          1HB       LYS  31  -2.846   3.491   7.738
  569   1HG   LYS  31          2HG       LYS  31  -2.848   6.382   6.892
  570   2HG   LYS  31          1HG       LYS  31  -2.743   5.137   5.643
  571   1HD   LYS  31          2HD       LYS  31  -5.074   5.852   6.023
  572   2HD   LYS  31          1HD       LYS  31  -4.852   4.141   6.404
  573   1HE   LYS  31          2HE       LYS  31  -4.804   4.673   8.828
  574   2HE   LYS  31          1HE       LYS  31  -4.997   6.404   8.453
  575   1HZ   LYS  31          1HZ       LYS  31  -6.891   4.239   7.742
  576   2HZ   LYS  31          3HZ       LYS  31  -7.088   5.366   8.998
  577   3HZ   LYS  31          2HZ       LYS  31  -7.082   5.887   7.381
  578    H    CYS  32           H        CYS  32  -0.085   3.524   9.078
  579    HA   CYS  32           HA       CYS  32  -1.099   1.448  10.795
  580   1HB   CYS  32          2HB       CYS  32   0.732   1.316   8.940
  581   2HB   CYS  32          1HB       CYS  32   1.842   1.903  10.189
  582    H    ASP  33           H        ASP  33   1.078   4.189  11.241
  583    HA   ASP  33           HA       ASP  33   0.974   4.200  14.093
  584   1HB   ASP  33          2HB       ASP  33   3.495   3.566  14.364
  585   2HB   ASP  33          1HB       ASP  33   2.286   2.284  14.238
  586    H    LYS  34           H        LYS  34   0.474   6.318  13.287
  587    HA   LYS  34           HA       LYS  34   2.347   8.132  12.183
  588   1HB   LYS  34          2HB       LYS  34   0.831   9.880  13.078
  589   2HB   LYS  34          1HB       LYS  34  -0.065   8.584  12.275
  590   1HG   LYS  34          2HG       LYS  34  -0.603   7.576  14.481
  591   2HG   LYS  34          1HG       LYS  34   0.296   8.866  15.293
  592   1HD   LYS  34          2HD       LYS  34  -2.177   9.278  13.563
  593   2HD   LYS  34          1HD       LYS  34  -2.167   9.220  15.332
  594   1HE   LYS  34          2HE       LYS  34  -0.681  11.224  15.386
  595   2HE   LYS  34          1HE       LYS  34  -0.742  11.303  13.608
  596   1HZ   LYS  34          1HZ       LYS  34  -3.065  11.456  15.438
  597   2HZ   LYS  34          3HZ       LYS  34  -2.353  12.766  14.623
  598   3HZ   LYS  34          2HZ       LYS  34  -3.126  11.535  13.743
   
  No H/Q in entry =         598
  Start of MODEL           9
 Raw file had  604 H/Q atoms
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   1.498 -15.797   0.619
    2   2H    GLY   1          3H        GLY   1   1.069 -17.441   0.641
    3   3H    GLY   1          2H        GLY   1   0.203 -16.325   1.584
    4   1HA   GLY   1          2HA       GLY   1   1.696 -17.618   2.943
    5   2HA   GLY   1          1HA       GLY   1   3.047 -17.068   1.935
    6    H    VAL   2           H        VAL   2   3.021 -14.593   1.628
    7    HA   VAL   2           HA       VAL   2   3.459 -13.316   4.127
    8    HB   VAL   2           HB       VAL   2   4.621 -12.700   2.069
    9   1HG1  VAL   2          2HG1      VAL   2   2.846 -12.880   0.397
   10   2HG1  VAL   2          1HG1      VAL   2   2.018 -11.463   1.087
   11   3HG1  VAL   2          3HG1      VAL   2   3.613 -11.279   0.334
   12   1HG2  VAL   2          1HG2      VAL   2   4.624 -11.103   3.891
   13   2HG2  VAL   2          3HG2      VAL   2   4.576 -10.241   2.338
   14   3HG2  VAL   2          2HG2      VAL   2   3.101 -10.385   3.318
   15    H    ILE   3           H        ILE   3   0.846 -13.007   1.773
   16    HA   ILE   3           HA       ILE   3  -1.044 -12.223   3.900
   17    HB   ILE   3           HB       ILE   3  -0.553 -10.674   1.327
   18   1HG1  ILE   3          2HG1      ILE   3  -0.260  -9.883   4.243
   19   2HG1  ILE   3          1HG1      ILE   3   1.018 -10.048   3.039
   20   1HG2  ILE   3          2HG2      ILE   3  -2.972 -10.852   1.659
   21   2HG2  ILE   3          1HG2      ILE   3  -2.804 -10.279   3.334
   22   3HG2  ILE   3          3HG2      ILE   3  -2.439  -9.193   1.971
   23   1HD1  ILE   3          2HD1      ILE   3   0.134  -8.115   1.781
   24   2HD1  ILE   3          1HD1      ILE   3  -1.170  -7.926   2.980
   25   3HD1  ILE   3          3HD1      ILE   3   0.519  -7.684   3.463
   26    HA   PRO   4           HA       PRO   4  -3.329 -15.200   1.440
   27   1HB   PRO   4          2HB       PRO   4  -5.689 -15.182   2.784
   28   2HB   PRO   4          1HB       PRO   4  -4.191 -15.780   3.574
   29   1HG   PRO   4          1HG       PRO   4  -5.425 -12.993   3.716
   30   2HG   PRO   4          2HG       PRO   4  -4.961 -14.070   5.078
   31   1HD   PRO   4          1HD       PRO   4  -3.267 -12.131   4.181
   32   2HD   PRO   4          2HD       PRO   4  -2.641 -13.728   4.715
   33    H    LYS   5           H        LYS   5  -5.378 -15.378   0.273
   34    HA   LYS   5           HA       LYS   5  -5.713 -13.418  -1.681
   35   1HB   LYS   5          2HB       LYS   5  -6.352 -15.787  -1.924
   36   2HB   LYS   5          1HB       LYS   5  -7.657 -15.578  -0.750
   37   1HG   LYS   5          2HG       LYS   5  -8.777 -13.978  -2.292
   38   2HG   LYS   5          1HG       LYS   5  -7.473 -14.210  -3.472
   39   1HD   LYS   5          2HD       LYS   5  -8.053 -16.629  -3.612
   40   2HD   LYS   5          1HD       LYS   5  -9.361 -16.377  -2.442
   41   1HE   LYS   5          2HE       LYS   5 -10.475 -14.812  -4.033
   42   2HE   LYS   5          1HE       LYS   5  -9.167 -15.101  -5.206
   43   1HZ   LYS   5          2HZ       LYS   5  -9.730 -17.427  -5.215
   44   2HZ   LYS   5          1HZ       LYS   5 -10.977 -17.162  -4.091
   45   3HZ   LYS   5          3HZ       LYS   5 -11.077 -16.484  -5.645
   46    H    LYS   6           H        LYS   6  -7.922 -14.193   0.978
   47    HA   LYS   6           HA       LYS   6 -10.006 -12.440   0.527
   48   1HB   LYS   6          2HB       LYS   6  -9.779 -14.305   2.239
   49   2HB   LYS   6          1HB       LYS   6  -8.883 -13.185   3.261
   50   1HG   LYS   6          2HG       LYS   6 -11.743 -12.733   2.314
   51   2HG   LYS   6          1HG       LYS   6 -11.320 -13.496   3.847
   52   1HD   LYS   6          2HD       LYS   6 -10.720 -10.615   3.052
   53   2HD   LYS   6          1HD       LYS   6 -11.958 -11.164   4.178
   54   1HE   LYS   6          2HE       LYS   6 -10.202 -12.052   5.703
   55   2HE   LYS   6          1HE       LYS   6  -8.947 -11.461   4.586
   56   1HZ   LYS   6          1HZ       LYS   6 -11.001  -9.795   5.920
   57   2HZ   LYS   6          3HZ       LYS   6  -9.364  -9.909   6.367
   58   3HZ   LYS   6          2HZ       LYS   6  -9.790  -9.242   4.864
   59    H    ILE   7           H        ILE   7  -7.146 -11.822   2.554
   60    HA   ILE   7           HA       ILE   7  -7.738  -9.231   3.414
   61    HB   ILE   7           HB       ILE   7  -5.089 -10.601   2.908
   62   1HG1  ILE   7          2HG1      ILE   7  -6.543 -11.566   4.676
   63   2HG1  ILE   7          1HG1      ILE   7  -4.994 -10.964   5.283
   64   1HG2  ILE   7          1HG2      ILE   7  -5.502  -7.916   4.283
   65   2HG2  ILE   7          3HG2      ILE   7  -3.997  -8.861   4.314
   66   3HG2  ILE   7          2HG2      ILE   7  -4.607  -8.215   2.776
   67   1HD1  ILE   7          1HD1      ILE   7  -7.666  -9.497   5.501
   68   2HD1  ILE   7          3HD1      ILE   7  -6.859 -10.393   6.811
   69   3HD1  ILE   7          2HD1      ILE   7  -6.113  -8.924   6.146
   70    H    TRP   8           H        TRP   8  -6.086 -10.198   0.408
   71    HA   TRP   8           HA       TRP   8  -5.333  -7.646  -0.476
   72   1HB   TRP   8          2HB       TRP   8  -6.092 -10.099  -2.102
   73   2HB   TRP   8          1HB       TRP   8  -5.430  -8.610  -2.809
   74    HD1  TRP   8          1HD       TRP   8  -4.192 -11.892  -1.472
   75    HE1  TRP   8          1HE       TRP   8  -1.742 -11.821  -0.877
   76    HE3  TRP   8          3HE       TRP   8  -3.553  -6.822  -1.583
   77    HZ2  TRP   8          2HZ       TRP   8   0.252  -9.829  -0.543
   78    HZ3  TRP   8          3HZ       TRP   8  -1.311  -5.879  -1.128
   79    HH2  TRP   8          2HH       TRP   8   0.585  -7.381  -0.610
   80    H    GLU   9           H        GLU   9  -8.433  -9.307  -1.001
   81    HA   GLU   9           HA       GLU   9  -9.644  -7.184  -2.482
   82   1HB   GLU   9          2HB       GLU   9 -10.896  -9.417  -0.854
   83   2HB   GLU   9          1HB       GLU   9 -11.836  -8.240  -1.780
   84   1HG   GLU   9          2HG       GLU   9 -11.648 -10.121  -3.215
   85   2HG   GLU   9          1HG       GLU   9 -10.461  -8.963  -3.838
   86    H    THR  10           H        THR  10  -9.507  -7.893   0.966
   87    HA   THR  10           HA       THR  10 -11.357  -5.989   1.927
   88    HB   THR  10           HB       THR  10  -8.822  -7.063   3.245
   89    HG1  THR  10           HG1      THR  10 -10.346  -8.658   2.583
   90   1HG2  THR  10          1HG2      THR  10 -11.288  -5.826   4.545
   91   2HG2  THR  10          3HG2      THR  10  -9.926  -6.590   5.397
   92   3HG2  THR  10          2HG2      THR  10  -9.669  -5.090   4.481
   93    H    VAL  11           H        VAL  11  -7.878  -5.719   1.356
   94    HA   VAL  11           HA       VAL  11  -7.633  -3.057   2.395
   95    HB   VAL  11           HB       VAL  11  -5.355  -3.101   1.563
   96   1HG1  VAL  11          1HG1      VAL  11  -6.170  -5.648   3.002
   97   2HG1  VAL  11          3HG1      VAL  11  -4.519  -4.995   2.919
   98   3HG1  VAL  11          2HG1      VAL  11  -5.798  -4.073   3.738
   99   1HG2  VAL  11          1HG2      VAL  11  -5.603  -4.289  -0.557
  100   2HG2  VAL  11          3HG2      VAL  11  -4.386  -5.083   0.466
  101   3HG2  VAL  11          2HG2      VAL  11  -6.009  -5.786   0.317
  102    H    CYS  12           H        CYS  12  -8.286  -4.348  -0.745
  103    HA   CYS  12           HA       CYS  12  -7.495  -2.878  -2.726
  104   1HB   CYS  12          2HB       CYS  12 -10.287  -3.743  -2.090
  105   2HB   CYS  12          1HB       CYS  12 -10.060  -2.683  -3.474
  106    HA   PRO  13           HA       PRO  13 -10.273   1.011  -2.568
  107   1HB   PRO  13          2HB       PRO  13 -11.624   1.663  -0.256
  108   2HB   PRO  13          1HB       PRO  13 -12.313   0.605  -1.530
  109   1HG   PRO  13          1HG       PRO  13 -10.858  -0.207   1.029
  110   2HG   PRO  13          2HG       PRO  13 -12.436  -0.788   0.403
  111   1HD   PRO  13          1HD       PRO  13 -10.200  -2.223  -0.052
  112   2HD   PRO  13          2HD       PRO  13 -11.421  -2.029  -1.355
  113    H    THR  14           H        THR  14  -9.065   0.364   0.696
  114    HA   THR  14           HA       THR  14  -8.192   2.988   1.348
  115    HB   THR  14           HB       THR  14  -7.269   0.282   2.383
  116    HG1  THR  14           HG1      THR  14  -8.868   0.702   3.997
  117   1HG2  THR  14          1HG2      THR  14  -7.079   3.028   3.708
  118   2HG2  THR  14          3HG2      THR  14  -6.686   1.478   4.484
  119   3HG2  THR  14          2HG2      THR  14  -5.713   2.054   3.113
  120    H    VAL  15           H        VAL  15  -6.413   0.170   0.112
  121    HA   VAL  15           HA       VAL  15  -3.862   1.461   0.033
  122    HB   VAL  15           HB       VAL  15  -3.053  -0.472  -1.157
  123   1HG1  VAL  15          2HG1      VAL  15  -3.231  -0.608   1.260
  124   2HG1  VAL  15          1HG1      VAL  15  -4.908  -1.180   1.136
  125   3HG1  VAL  15          3HG1      VAL  15  -3.574  -2.199   0.541
  126   1HG2  VAL  15          2HG2      VAL  15  -5.933  -1.423  -1.346
  127   2HG2  VAL  15          1HG2      VAL  15  -4.880  -0.954  -2.699
  128   3HG2  VAL  15          3HG2      VAL  15  -4.497  -2.394  -1.731
  129    H    GLU  16           H        GLU  16  -6.432   1.135  -2.271
  130    HA   GLU  16           HA       GLU  16  -5.274   1.329  -4.738
  131   1HB   GLU  16          2HB       GLU  16  -7.655   1.041  -4.434
  132   2HB   GLU  16          1HB       GLU  16  -7.825   2.670  -3.767
  133   1HG   GLU  16          2HG       GLU  16  -7.174   3.624  -5.979
  134   2HG   GLU  16          1HG       GLU  16  -6.986   1.981  -6.626
  135    HA   PRO  17           HA       PRO  17  -5.359   6.217  -4.786
  136   1HB   PRO  17          2HB       PRO  17  -4.885   7.412  -2.308
  137   2HB   PRO  17          1HB       PRO  17  -6.506   7.200  -3.043
  138   1HG   PRO  17          1HG       PRO  17  -5.074   5.395  -1.045
  139   2HG   PRO  17          2HG       PRO  17  -6.753   6.036  -0.982
  140   1HD   PRO  17          1HD       PRO  17  -6.360   3.558  -1.880
  141   2HD   PRO  17          2HD       PRO  17  -7.469   4.633  -2.795
  142    H    TRP  18           H        TRP  18  -3.426   4.758  -2.175
  143    HA   TRP  18           HA       TRP  18  -1.039   6.238  -2.681
  144   1HB   TRP  18          2HB       TRP  18  -1.218   3.467  -1.419
  145   2HB   TRP  18          1HB       TRP  18   0.109   4.632  -1.253
  146    HD1  TRP  18          1HD       TRP  18  -1.431   7.351  -0.438
  147    HE1  TRP  18          1HE       TRP  18  -2.716   7.554   1.713
  148    HE3  TRP  18          3HE       TRP  18  -2.090   2.374   0.496
  149    HZ2  TRP  18          2HZ       TRP  18  -3.896   5.795   3.600
  150    HZ3  TRP  18          3HZ       TRP  18  -3.339   1.681   2.520
  151    HH2  TRP  18          2HH       TRP  18  -4.234   3.387   4.065
  152    H    ALA  19           H        ALA  19  -1.903   2.897  -3.502
  153    HA   ALA  19           HA       ALA  19   0.411   2.101  -4.828
  154   1HB   ALA  19          1HB       ALA  19  -2.474   1.251  -5.335
  155   2HB   ALA  19          3HB       ALA  19  -1.028   0.366  -5.890
  156   3HB   ALA  19          2HB       ALA  19  -1.354   0.544  -4.150
  157    H    LYS  20           H        LYS  20  -2.537   3.439  -6.307
  158    HA   LYS  20           HA       LYS  20  -1.718   3.629  -8.981
  159   1HB   LYS  20          2HB       LYS  20  -3.474   5.501  -7.332
  160   2HB   LYS  20          1HB       LYS  20  -3.291   5.631  -9.082
  161   1HG   LYS  20          2HG       LYS  20  -4.437   3.240  -7.579
  162   2HG   LYS  20          1HG       LYS  20  -5.369   4.454  -8.452
  163   1HD   LYS  20          2HD       LYS  20  -3.370   2.515  -9.701
  164   2HD   LYS  20          1HD       LYS  20  -5.134   2.366  -9.755
  165   1HE   LYS  20          2HE       LYS  20  -5.276   4.493 -11.044
  166   2HE   LYS  20          1HE       LYS  20  -3.500   4.627 -11.006
  167   1HZ   LYS  20          1HZ       LYS  20  -5.049   2.395 -12.186
  168   2HZ   LYS  20          3HZ       LYS  20  -4.271   3.634 -13.047
  169   3HZ   LYS  20          2HZ       LYS  20  -3.356   2.523 -12.145
  170    H    LYS  21           H        LYS  21  -1.437   6.066  -6.425
  171    HA   LYS  21           HA       LYS  21   0.364   7.760  -8.012
  172   1HB   LYS  21          2HB       LYS  21  -0.718   8.023  -5.173
  173   2HB   LYS  21          1HB       LYS  21   0.199   9.269  -6.040
  174   1HG   LYS  21          2HG       LYS  21  -1.595   9.442  -7.725
  175   2HG   LYS  21          1HG       LYS  21  -2.503   8.150  -6.918
  176   1HD   LYS  21          2HD       LYS  21  -2.688   9.563  -4.876
  177   2HD   LYS  21          1HD       LYS  21  -1.814  10.863  -5.704
  178   1HE   LYS  21          2HE       LYS  21  -4.509   9.710  -6.568
  179   2HE   LYS  21          1HE       LYS  21  -4.269  11.249  -5.711
  180   1HZ   LYS  21          1HZ       LYS  21  -3.171  10.554  -8.374
  181   2HZ   LYS  21          3HZ       LYS  21  -4.498  11.573  -8.077
  182   3HZ   LYS  21          2HZ       LYS  21  -2.946  12.027  -7.556
  183    H    CYS  22           H        CYS  22   1.626   5.456  -7.803
  184    HA   CYS  22           HA       CYS  22   3.985   6.049  -6.189
  185   1HB   CYS  22          2HB       CYS  22   2.380   4.810  -4.646
  186   2HB   CYS  22          1HB       CYS  22   2.499   3.414  -5.732
  187    H    SER  23           H        SER  23   5.598   4.173  -6.463
  188    HA   SER  23           HA       SER  23   5.383   2.706  -8.999
  189   1HB   SER  23          2HB       SER  23   7.467   3.720  -9.910
  190   2HB   SER  23          1HB       SER  23   6.186   4.931  -9.704
  191    HG   SER  23           HG       SER  23   7.200   5.522  -7.700
  192    H    GLY  24           H        GLY  24   7.663   1.721  -9.455
  193   1HA   GLY  24          2HA       GLY  24   9.505   0.440  -8.691
  194   2HA   GLY  24          1HA       GLY  24   8.964   0.680  -7.021
  195    H    ASP  25           H        ASP  25   9.721  -1.684  -7.463
  196    HA   ASP  25           HA       ASP  25   8.098  -3.594  -8.755
  197   1HB   ASP  25          2HB       ASP  25   9.929  -3.945  -6.333
  198   2HB   ASP  25          1HB       ASP  25   9.328  -5.252  -7.370
  199    H    ILE  26           H        ILE  26   8.150  -2.571  -5.367
  200    HA   ILE  26           HA       ILE  26   6.255  -4.399  -4.336
  201    HB   ILE  26           HB       ILE  26   6.777  -1.561  -3.383
  202   1HG1  ILE  26          2HG1      ILE  26   8.916  -2.713  -3.573
  203   2HG1  ILE  26          1HG1      ILE  26   8.485  -2.456  -1.886
  204   1HG2  ILE  26          1HG2      ILE  26   5.712  -4.002  -1.907
  205   2HG2  ILE  26          3HG2      ILE  26   6.118  -2.449  -1.151
  206   3HG2  ILE  26          2HG2      ILE  26   4.802  -2.539  -2.336
  207   1HD1  ILE  26          2HD1      ILE  26   7.769  -4.841  -1.705
  208   2HD1  ILE  26          1HD1      ILE  26   8.204  -5.091  -3.413
  209   3HD1  ILE  26          3HD1      ILE  26   9.464  -4.700  -2.222
  210    H    ALA  27           H        ALA  27   5.831  -1.066  -5.487
  211    HA   ALA  27           HA       ALA  27   3.078  -0.736  -5.131
  212   1HB   ALA  27          2HB       ALA  27   4.586   1.094  -5.825
  213   2HB   ALA  27          1HB       ALA  27   4.825   0.318  -7.406
  214   3HB   ALA  27          3HB       ALA  27   3.224   0.948  -6.958
  215    H    THR  28           H        THR  28   4.811  -2.133  -7.880
  216    HA   THR  28           HA       THR  28   2.633  -2.615  -9.612
  217    HB   THR  28           HB       THR  28   5.246  -4.167  -9.326
  218    HG1  THR  28           HG1      THR  28   5.911  -2.705 -10.986
  219   1HG2  THR  28          1HG2      THR  28   3.361  -3.959 -11.718
  220   2HG2  THR  28          3HG2      THR  28   4.948  -4.763 -11.705
  221   3HG2  THR  28          2HG2      THR  28   3.619  -5.412 -10.722
  222    H    TYR  29           H        TYR  29   4.153  -4.741  -7.205
  223    HA   TYR  29           HA       TYR  29   2.653  -7.081  -7.632
  224   1HB   TYR  29          2HB       TYR  29   4.633  -7.142  -6.249
  225   2HB   TYR  29          1HB       TYR  29   3.955  -5.971  -5.112
  226    HD1  TYR  29          1HD       TYR  29   3.069  -9.323  -6.604
  227    HD2  TYR  29          2HD       TYR  29   3.094  -6.804  -3.125
  228    HE1  TYR  29          1HE       TYR  29   2.047 -11.141  -5.276
  229    HE2  TYR  29          2HE       TYR  29   2.076  -8.625  -1.801
  230    HH   TYR  29           HH       TYR  29   1.159 -11.733  -3.302
  231    H    ILE  30           H        ILE  30   2.152  -4.613  -5.140
  232    HA   ILE  30           HA       ILE  30  -0.195  -5.533  -3.953
  233    HB   ILE  30           HB       ILE  30   0.797  -2.693  -4.421
  234   1HG1  ILE  30          2HG1      ILE  30   1.073  -4.441  -1.953
  235   2HG1  ILE  30          1HG1      ILE  30   2.326  -4.296  -3.188
  236   1HG2  ILE  30          1HG2      ILE  30  -1.307  -3.640  -2.430
  237   2HG2  ILE  30          3HG2      ILE  30  -0.603  -2.007  -2.489
  238   3HG2  ILE  30          2HG2      ILE  30  -1.587  -2.594  -3.842
  239   1HD1  ILE  30          2HD1      ILE  30   2.492  -1.857  -2.746
  240   2HD1  ILE  30          1HD1      ILE  30   1.247  -2.002  -1.479
  241   3HD1  ILE  30          3HD1      ILE  30   2.817  -2.815  -1.285
  242    H    LYS  31           H        LYS  31   0.182  -3.343  -6.689
  243    HA   LYS  31           HA       LYS  31  -2.503  -2.689  -7.196
  244   1HB   LYS  31          2HB       LYS  31  -0.357  -1.697  -8.230
  245   2HB   LYS  31          1HB       LYS  31  -0.340  -3.088  -9.317
  246   1HG   LYS  31          2HG       LYS  31  -1.392  -1.511 -10.637
  247   2HG   LYS  31          1HG       LYS  31  -2.791  -2.313  -9.916
  248   1HD   LYS  31          2HD       LYS  31  -1.575   0.339  -9.036
  249   2HD   LYS  31          1HD       LYS  31  -3.082   0.124  -9.931
  250   1HE   LYS  31          2HE       LYS  31  -4.063  -1.066  -7.951
  251   2HE   LYS  31          1HE       LYS  31  -2.554  -0.750  -7.055
  252   1HZ   LYS  31          2HZ       LYS  31  -2.879   1.589  -7.372
  253   2HZ   LYS  31          1HZ       LYS  31  -4.319   1.308  -8.226
  254   3HZ   LYS  31          3HZ       LYS  31  -4.213   0.900  -6.581
  255    H    ARG  32           H        ARG  32  -0.564  -5.410  -8.340
  256    HA   ARG  32           HA       ARG  32  -2.510  -6.577 -10.064
  257   1HB   ARG  32          2HB       ARG  32  -0.102  -7.134 -10.178
  258   2HB   ARG  32          1HB       ARG  32  -0.202  -7.917  -8.591
  259   1HG   ARG  32          2HG       ARG  32  -1.856  -9.531  -9.492
  260   2HG   ARG  32          1HG       ARG  32  -1.732  -8.771 -11.086
  261   1HD   ARG  32          2HD       ARG  32   0.671  -9.423 -11.192
  262   2HD   ARG  32          1HD       ARG  32   0.519 -10.200  -9.596
  263    HE   ARG  32           HE       ARG  32  -1.503 -11.213 -11.320
  264   1HH1  ARG  32          2HH2      ARG  32   1.977 -11.329 -10.860
  265   2HH1  ARG  32          1HH2      ARG  32   2.133 -12.899 -11.578
  266   1HH2  ARG  32          2HH1      ARG  32  -1.280 -13.255 -12.258
  267   2HH2  ARG  32          1HH1      ARG  32   0.284 -13.992 -12.372
  268    H    GLU  33           H        GLU  33  -1.747  -7.133  -6.633
  269    HA   GLU  33           HA       GLU  33  -3.236  -9.478  -6.217
  270   1HB   GLU  33          2HB       GLU  33  -2.702  -7.215  -4.244
  271   2HB   GLU  33          1HB       GLU  33  -3.261  -8.841  -3.829
  272   1HG   GLU  33          2HG       GLU  33  -0.582  -8.155  -5.117
  273   2HG   GLU  33          1HG       GLU  33  -0.835  -8.619  -3.432
  274    H    CYS  34           H        CYS  34  -4.246  -6.154  -5.441
  275    HA   CYS  34           HA       CYS  34  -6.997  -6.778  -4.973
  276   1HB   CYS  34          2HB       CYS  34  -6.058  -4.727  -4.072
  277   2HB   CYS  34          1HB       CYS  34  -5.614  -4.155  -5.695
  278    H    GLY  35           H        GLY  35  -5.291  -5.451  -7.775
  279   1HA   GLY  35          2HA       GLY  35  -7.537  -4.753  -9.347
  280   2HA   GLY  35          1HA       GLY  35  -5.894  -4.991  -9.957
  281    H    LYS  36           H        LYS  36  -5.247  -7.372 -10.051
  282    HA   LYS  36           HA       LYS  36  -6.764  -8.731 -11.972
  283   1HB   LYS  36          2HB       LYS  36  -4.324  -9.102 -11.502
  284   2HB   LYS  36          1HB       LYS  36  -4.778  -9.956 -10.020
  285   1HG   LYS  36          2HG       LYS  36  -5.999 -11.651 -11.356
  286   2HG   LYS  36          1HG       LYS  36  -5.598 -10.781 -12.840
  287   1HD   LYS  36          2HD       LYS  36  -4.094 -12.592 -12.775
  288   2HD   LYS  36          1HD       LYS  36  -3.139 -11.195 -12.278
  289   1HE   LYS  36          2HE       LYS  36  -4.346 -13.234 -10.351
  290   2HE   LYS  36          1HE       LYS  36  -2.673 -13.272 -10.942
  291   1HZ   LYS  36          2HZ       LYS  36  -2.345 -11.085  -9.978
  292   2HZ   LYS  36          1HZ       LYS  36  -3.928 -11.105  -9.363
  293   3HZ   LYS  36          3HZ       LYS  36  -2.792 -12.235  -8.812
  294    H    LEU  37           H        LEU  37  -6.317  -9.718  -8.560
  295    HA   LEU  37           HA       LEU  37  -8.791 -11.311  -8.677
  296   1HB   LEU  37          2HB       LEU  37  -6.517 -11.995  -7.536
  297   2HB   LEU  37          1HB       LEU  37  -7.104 -11.035  -6.180
  298    HG   LEU  37           HG       LEU  37  -7.729 -13.278  -5.754
  299   1HD1  LEU  37          2HD1      LEU  37  -9.543 -11.747  -5.186
  300   2HD1  LEU  37          1HD1      LEU  37 -10.230 -11.912  -6.816
  301   3HD1  LEU  37          3HD1      LEU  37 -10.201 -13.306  -5.721
  302   1HD2  LEU  37          1HD2      LEU  37  -7.399 -14.238  -7.963
  303   2HD2  LEU  37          3HD2      LEU  37  -8.993 -14.716  -7.334
  304   3HD2  LEU  37          2HD2      LEU  37  -8.871 -13.443  -8.568
  305   1H    TRP   1          1H        TRP   1  -6.150  -3.623   9.051
  306   2H    TRP   1          3H        TRP   1  -5.615  -2.526   7.870
  307   3H    TRP   1          2H        TRP   1  -5.019  -2.424   9.458
  308    HA   TRP   1           HA       TRP   1  -6.633  -0.697   9.089
  309   1HB   TRP   1          2HB       TRP   1  -8.543  -3.030   8.563
  310   2HB   TRP   1          1HB       TRP   1  -8.962  -1.310   8.578
  311    HD1  TRP   1          1HD       TRP   1  -9.697  -2.874   5.979
  312    HE1  TRP   1          1HE       TRP   1  -8.612  -2.488   3.747
  313    HE3  TRP   1          3HE       TRP   1  -5.376  -0.578   7.593
  314    HZ2  TRP   1          2HZ       TRP   1  -6.183  -1.428   2.783
  315    HZ3  TRP   1          3HZ       TRP   1  -3.713   0.105   5.928
  316    HH2  TRP   1          2HH       TRP   1  -4.107  -0.314   3.522
  317    H    SER   2           H        SER   2  -7.911  -3.785  10.268
  318    HA   SER   2           HA       SER   2  -8.609  -2.880  12.905
  319   1HB   SER   2          2HB       SER   2  -9.599  -4.859  11.624
  320   2HB   SER   2          1HB       SER   2  -8.079  -5.728  11.923
  321    HG   SER   2           HG       SER   2  -9.811  -4.675  13.940
  322    H    THR   3           H        THR   3  -7.631  -4.488  14.752
  323    HA   THR   3           HA       THR   3  -5.014  -3.694  15.374
  324    HB   THR   3           HB       THR   3  -6.539  -6.172  16.295
  325    HG1  THR   3           HG1      THR   3  -7.092  -4.752  18.046
  326   1HG2  THR   3          1HG2      THR   3  -4.200  -4.736  17.638
  327   2HG2  THR   3          3HG2      THR   3  -5.143  -6.074  18.336
  328   3HG2  THR   3          2HG2      THR   3  -4.138  -6.352  16.898
  329    H    ILE   4           H        ILE   4  -6.091  -6.897  14.266
  330    HA   ILE   4           HA       ILE   4  -3.431  -7.903  13.786
  331    HB   ILE   4           HB       ILE   4  -6.139  -8.936  12.868
  332   1HG1  ILE   4          2HG1      ILE   4  -6.133  -8.806  15.275
  333   2HG1  ILE   4          1HG1      ILE   4  -6.020 -10.496  14.779
  334   1HG2  ILE   4          1HG2      ILE   4  -3.468 -10.388  12.990
  335   2HG2  ILE   4          3HG2      ILE   4  -5.040 -11.148  12.649
  336   3HG2  ILE   4          2HG2      ILE   4  -4.371  -9.945  11.524
  337   1HD1  ILE   4          2HD1      ILE   4  -3.576 -10.478  15.254
  338   2HD1  ILE   4          1HD1      ILE   4  -3.691  -8.775  15.758
  339   3HD1  ILE   4          3HD1      ILE   4  -4.528 -10.038  16.689
  340    H    VAL   5           H        VAL   5  -6.075  -6.838  11.681
  341    HA   VAL   5           HA       VAL   5  -4.977  -7.478   9.185
  342    HB   VAL   5           HB       VAL   5  -6.841  -5.191   9.901
  343   1HG1  VAL   5          2HG1      VAL   5  -5.925  -4.860   7.637
  344   2HG1  VAL   5          1HG1      VAL   5  -6.379  -6.520   7.196
  345   3HG1  VAL   5          3HG1      VAL   5  -7.639  -5.316   7.557
  346   1HG2  VAL   5          1HG2      VAL   5  -7.736  -7.356  10.648
  347   2HG2  VAL   5          3HG2      VAL   5  -8.669  -6.742   9.265
  348   3HG2  VAL   5          2HG2      VAL   5  -7.476  -8.040   9.029
  349    H    LYS   6           H        LYS   6  -4.687  -4.455  11.020
  350    HA   LYS   6           HA       LYS   6  -3.301  -2.924   9.101
  351   1HB   LYS   6          2HB       LYS   6  -4.308  -1.958  11.128
  352   2HB   LYS   6          1HB       LYS   6  -3.077  -2.753  12.130
  353   1HG   LYS   6          2HG       LYS   6  -1.302  -1.447  11.041
  354   2HG   LYS   6          1HG       LYS   6  -2.472  -0.720   9.933
  355   1HD   LYS   6          2HD       LYS   6  -2.397  -0.346  12.959
  356   2HD   LYS   6          1HD       LYS   6  -1.825   0.817  11.757
  357   1HE   LYS   6          2HE       LYS   6  -4.718  -0.100  12.138
  358   2HE   LYS   6          1HE       LYS   6  -4.041   1.478  12.594
  359   1HZ   LYS   6          2HZ       LYS   6  -3.533   1.891  10.289
  360   2HZ   LYS   6          1HZ       LYS   6  -4.170   0.380   9.846
  361   3HZ   LYS   6          3HZ       LYS   6  -5.190   1.578  10.489
  362    H    LEU   7           H        LEU   7  -2.038  -5.060  11.632
  363    HA   LEU   7           HA       LEU   7   0.728  -4.661  11.220
  364   1HB   LEU   7          2HB       LEU   7  -0.736  -7.199  12.076
  365   2HB   LEU   7          1HB       LEU   7   1.000  -6.919  12.239
  366    HG   LEU   7           HG       LEU   7  -1.144  -5.217  13.555
  367   1HD1  LEU   7          1HD1      LEU   7   0.570  -7.425  14.767
  368   2HD1  LEU   7          3HD1      LEU   7  -0.506  -6.336  15.675
  369   3HD1  LEU   7          2HD1      LEU   7  -1.188  -7.480  14.497
  370   1HD2  LEU   7          2HD2      LEU   7   1.868  -5.256  13.972
  371   2HD2  LEU   7          1HD2      LEU   7   0.923  -3.959  13.203
  372   3HD2  LEU   7          3HD2      LEU   7   0.703  -4.314  14.930
  373    H    THR   8           H        THR   8  -1.539  -6.832   9.611
  374    HA   THR   8           HA       THR   8   0.304  -8.346   8.070
  375    HB   THR   8           HB       THR   8  -2.596  -7.621   7.443
  376    HG1  THR   8           HG1      THR   8  -2.294  -8.633   9.489
  377   1HG2  THR   8          1HG2      THR   8  -0.928  -9.979   6.467
  378   2HG2  THR   8          3HG2      THR   8  -2.665  -9.731   6.170
  379   3HG2  THR   8          2HG2      THR   8  -1.479  -8.605   5.476
  380    H    ILE   9           H        ILE   9  -1.623  -5.496   7.210
  381    HA   ILE   9           HA       ILE   9  -0.504  -5.266   4.557
  382    HB   ILE   9           HB       ILE   9  -2.830  -4.679   5.077
  383   1HG1  ILE   9          2HG1      ILE   9  -3.002  -2.557   3.858
  384   2HG1  ILE   9          1HG1      ILE   9  -1.277  -2.266   4.099
  385   1HG2  ILE   9          2HG2      ILE   9  -2.570  -3.735   7.317
  386   2HG2  ILE   9          1HG2      ILE   9  -1.697  -2.336   6.658
  387   3HG2  ILE   9          3HG2      ILE   9  -3.412  -2.592   6.253
  388   1HD1  ILE   9          1HD1      ILE   9  -2.485  -4.575   2.500
  389   2HD1  ILE   9          3HD1      ILE   9  -1.742  -3.110   1.817
  390   3HD1  ILE   9          2HD1      ILE   9  -0.746  -4.271   2.720
  391    H    CYS  10           H        CYS  10   0.375  -4.034   7.635
  392    HA   CYS  10           HA       CYS  10   1.500  -1.545   7.213
  393   1HB   CYS  10          2HB       CYS  10   1.874  -3.739   9.148
  394   2HB   CYS  10          1HB       CYS  10   3.310  -2.738   8.958
  395    HA   PRO  11           HA       PRO  11   5.876  -3.330   6.169
  396   1HB   PRO  11          2HB       PRO  11   6.057  -5.941   5.288
  397   2HB   PRO  11          1HB       PRO  11   6.182  -5.475   7.015
  398   1HG   PRO  11          1HG       PRO  11   3.720  -6.427   5.481
  399   2HG   PRO  11          2HG       PRO  11   4.375  -7.036   7.038
  400   1HD   PRO  11          1HD       PRO  11   2.371  -5.250   7.046
  401   2HD   PRO  11          2HD       PRO  11   3.719  -5.065   8.217
  402    H    THR  12           H        THR  12   3.237  -4.768   4.318
  403    HA   THR  12           HA       THR  12   4.343  -4.801   1.733
  404    HB   THR  12           HB       THR  12   1.467  -4.392   2.661
  405    HG1  THR  12           HG1      THR  12   2.934  -6.718   1.903
  406   1HG2  THR  12          1HG2      THR  12   2.449  -5.297  -0.079
  407   2HG2  THR  12          3HG2      THR  12   0.758  -5.291   0.476
  408   3HG2  THR  12          2HG2      THR  12   1.634  -3.758   0.287
  409    H    LEU  13           H        LEU  13   2.221  -2.329   3.167
  410    HA   LEU  13           HA       LEU  13   2.462  -0.458   1.023
  411   1HB   LEU  13          2HB       LEU  13   1.609   0.004   3.908
  412   2HB   LEU  13          1HB       LEU  13   1.410   1.151   2.572
  413    HG   LEU  13           HG       LEU  13   0.119  -1.586   2.752
  414   1HD1  LEU  13          1HD1      LEU  13  -1.064   1.206   3.074
  415   2HD1  LEU  13          3HD1      LEU  13  -1.999  -0.310   3.034
  416   3HD1  LEU  13          2HD1      LEU  13  -0.853  -0.007   4.358
  417   1HD2  LEU  13          2HD2      LEU  13  -0.240   0.588   0.646
  418   2HD2  LEU  13          1HD2      LEU  13   0.545  -0.992   0.406
  419   3HD2  LEU  13          3HD2      LEU  13  -1.190  -0.910   0.763
  420    H    LYS  14           H        LYS  14   4.229  -0.819   4.052
  421    HA   LYS  14           HA       LYS  14   5.692   1.586   4.098
  422   1HB   LYS  14          2HB       LYS  14   6.291  -1.231   5.048
  423   2HB   LYS  14          1HB       LYS  14   7.491   0.048   5.228
  424   1HG   LYS  14          2HG       LYS  14   4.653   0.315   6.294
  425   2HG   LYS  14          1HG       LYS  14   5.953  -0.427   7.239
  426   1HD   LYS  14          2HD       LYS  14   5.916   2.431   6.162
  427   2HD   LYS  14          1HD       LYS  14   5.597   1.950   7.836
  428   1HE   LYS  14          2HE       LYS  14   7.955   0.959   7.901
  429   2HE   LYS  14          1HE       LYS  14   8.236   1.720   6.319
  430   1HZ   LYS  14          2HZ       LYS  14   7.705   3.847   7.285
  431   2HZ   LYS  14          1HZ       LYS  14   7.436   3.125   8.797
  432   3HZ   LYS  14          3HZ       LYS  14   8.991   3.110   8.115
  433    H    SER  15           H        SER  15   6.574  -1.523   2.655
  434    HA   SER  15           HA       SER  15   9.030  -0.777   1.470
  435   1HB   SER  15          2HB       SER  15   7.030  -2.935   0.657
  436   2HB   SER  15          1HB       SER  15   8.704  -2.813   0.061
  437    HG   SER  15           HG       SER  15   7.946  -3.069   2.804
  438    H    MET  16           H        MET  16   5.723  -0.630   0.263
  439    HA   MET  16           HA       MET  16   6.274   0.220  -2.404
  440   1HB   MET  16          2HB       MET  16   4.079  -0.682  -1.566
  441   2HB   MET  16          1HB       MET  16   3.831   0.831  -0.683
  442   1HG   MET  16          2HG       MET  16   3.812   2.099  -2.766
  443   2HG   MET  16          1HG       MET  16   4.194   0.646  -3.701
  444   1HE   MET  16          2HE       MET  16   1.664   1.264  -0.674
  445   2HE   MET  16          1HE       MET  16   1.496   2.686  -1.732
  446   3HE   MET  16          3HE       MET  16   0.154   1.529  -1.579
  447    H    ALA  17           H        ALA  17   5.758   1.942   0.602
  448    HA   ALA  17           HA       ALA  17   5.451   4.598  -0.314
  449   1HB   ALA  17          2HB       ALA  17   4.844   3.886   1.965
  450   2HB   ALA  17          1HB       ALA  17   6.551   3.568   2.342
  451   3HB   ALA  17          3HB       ALA  17   6.009   5.227   2.025
  452    H    LYS  18           H        LYS  18   8.282   2.666   0.292
  453    HA   LYS  18           HA       LYS  18  10.372   4.422   0.594
  454   1HB   LYS  18          2HB       LYS  18  10.375   1.992  -1.246
  455   2HB   LYS  18          1HB       LYS  18  11.795   2.753  -0.518
  456   1HG   LYS  18          2HG       LYS  18   9.549   1.360   0.998
  457   2HG   LYS  18          1HG       LYS  18  11.147   0.683   0.666
  458   1HD   LYS  18          2HD       LYS  18  12.197   2.419   2.069
  459   2HD   LYS  18          1HD       LYS  18  10.619   3.175   2.349
  460   1HE   LYS  18          2HE       LYS  18  11.296   1.801   4.288
  461   2HE   LYS  18          1HE       LYS  18   9.832   1.140   3.526
  462   1HZ   LYS  18          1HZ       LYS  18  12.604   0.192   3.084
  463   2HZ   LYS  18          3HZ       LYS  18  11.423  -0.581   4.029
  464   3HZ   LYS  18          2HZ       LYS  18  11.207  -0.438   2.349
  465    H    LYS  19           H        LYS  19   8.716   3.641  -2.430
  466    HA   LYS  19           HA       LYS  19   9.828   6.108  -3.636
  467   1HB   LYS  19          2HB       LYS  19  11.230   4.122  -4.350
  468   2HB   LYS  19          1HB       LYS  19   9.766   3.435  -5.078
  469   1HG   LYS  19          2HG       LYS  19   9.592   5.366  -6.610
  470   2HG   LYS  19          1HG       LYS  19  10.979   6.128  -5.834
  471   1HD   LYS  19          2HD       LYS  19  11.659   5.178  -7.953
  472   2HD   LYS  19          1HD       LYS  19  12.441   4.298  -6.640
  473   1HE   LYS  19          2HE       LYS  19   9.923   3.277  -8.021
  474   2HE   LYS  19          1HE       LYS  19  11.560   2.891  -8.592
  475   1HZ   LYS  19          2HZ       LYS  19  12.045   1.969  -6.423
  476   2HZ   LYS  19          1HZ       LYS  19  10.464   2.302  -5.902
  477   3HZ   LYS  19          3HZ       LYS  19  10.725   1.187  -7.151
  478    H    CYS  20           H        CYS  20   7.458   6.290  -2.671
  479    HA   CYS  20           HA       CYS  20   5.578   5.986  -4.943
  480   1HB   CYS  20          2HB       CYS  20   5.103   6.878  -2.080
  481   2HB   CYS  20          1HB       CYS  20   3.869   6.913  -3.351
  482    H    GLU  21           H        GLU  21   4.149   7.810  -5.388
  483    HA   GLU  21           HA       GLU  21   5.831  10.084  -6.154
  484   1HB   GLU  21          2HB       GLU  21   2.881   9.687  -6.766
  485   2HB   GLU  21          1HB       GLU  21   4.055  10.660  -7.652
  486   1HG   GLU  21          2HG       GLU  21   3.869   7.622  -7.578
  487   2HG   GLU  21          1HG       GLU  21   3.547   8.684  -8.953
  488    H    GLY  22           H        GLY  22   5.159  12.250  -5.927
  489   1HA   GLY  22          2HA       GLY  22   4.533  14.145  -4.780
  490   2HA   GLY  22          1HA       GLY  22   3.022  13.293  -4.444
  491    H    SER  23           H        SER  23   2.621  12.586  -2.463
  492    HA   SER  23           HA       SER  23   4.714  12.252  -0.419
  493   1HB   SER  23          2HB       SER  23   2.380  14.208  -0.080
  494   2HB   SER  23          1HB       SER  23   3.509  13.721   1.205
  495    HG   SER  23           HG       SER  23   5.216  14.594  -0.135
  496    H    ILE  24           H        ILE  24   3.190  10.440  -1.769
  497    HA   ILE  24           HA       ILE  24   0.883   9.514  -0.319
  498    HB   ILE  24           HB       ILE  24   2.711   8.411  -2.446
  499   1HG1  ILE  24          2HG1      ILE  24   1.184  10.141  -3.162
  500   2HG1  ILE  24          1HG1      ILE  24   0.763   8.597  -3.900
  501   1HG2  ILE  24          1HG2      ILE  24   0.394   6.873  -1.253
  502   2HG2  ILE  24          3HG2      ILE  24   1.242   6.455  -2.764
  503   3HG2  ILE  24          2HG2      ILE  24   2.113   6.420  -1.219
  504   1HD1  ILE  24          1HD1      ILE  24  -0.687   9.876  -1.538
  505   2HD1  ILE  24          3HD1      ILE  24  -1.254   9.828  -3.219
  506   3HD1  ILE  24          2HD1      ILE  24  -1.106   8.319  -2.294
  507    H    ALA  25           H        ALA  25   4.295   8.679  -0.360
  508    HA   ALA  25           HA       ALA  25   4.470   6.518   1.353
  509   1HB   ALA  25          2HB       ALA  25   6.404   7.574   0.219
  510   2HB   ALA  25          1HB       ALA  25   6.270   8.990   1.284
  511   3HB   ALA  25          3HB       ALA  25   6.717   7.408   1.964
  512    H    THR  26           H        THR  26   4.156   9.932   2.203
  513    HA   THR  26           HA       THR  26   4.362   9.764   5.016
  514    HB   THR  26           HB       THR  26   2.757  11.736   3.328
  515    HG1  THR  26           HG1      THR  26   5.467  11.788   4.227
  516   1HG2  THR  26          1HG2      THR  26   3.921  12.058   6.131
  517   2HG2  THR  26          3HG2      THR  26   3.122  13.332   5.180
  518   3HG2  THR  26          2HG2      THR  26   2.191  11.923   5.736
  519    H    MET  27           H        MET  27   1.494   9.723   2.919
  520    HA   MET  27           HA       MET  27  -0.523   9.591   4.879
  521   1HB   MET  27          2HB       MET  27  -0.495   8.358   2.089
  522   2HB   MET  27          1HB       MET  27  -1.935   8.602   3.083
  523   1HG   MET  27          2HG       MET  27  -0.116  10.784   1.979
  524   2HG   MET  27          1HG       MET  27  -1.732  10.371   1.392
  525   1HE   MET  27          2HE       MET  27  -3.980  10.745   2.797
  526   2HE   MET  27          1HE       MET  27  -3.304   9.819   4.161
  527   3HE   MET  27          3HE       MET  27  -4.013  11.427   4.441
  528    H    ILE  28           H        ILE  28   1.042   6.953   3.115
  529    HA   ILE  28           HA       ILE  28  -0.082   4.711   4.356
  530    HB   ILE  28           HB       ILE  28   2.712   5.228   3.272
  531   1HG1  ILE  28          2HG1      ILE  28   0.373   3.785   1.979
  532   2HG1  ILE  28          1HG1      ILE  28   0.807   5.470   1.669
  533   1HG2  ILE  28          1HG2      ILE  28   1.487   2.550   4.023
  534   2HG2  ILE  28          3HG2      ILE  28   3.003   2.767   3.110
  535   3HG2  ILE  28          2HG2      ILE  28   2.889   3.327   4.785
  536   1HD1  ILE  28          2HD1      ILE  28   3.027   4.738   0.807
  537   2HD1  ILE  28          1HD1      ILE  28   2.570   3.042   1.090
  538   3HD1  ILE  28          3HD1      ILE  28   1.688   4.014  -0.106
  539    H    LYS  29           H        LYS  29   2.700   6.657   5.297
  540    HA   LYS  29           HA       LYS  29   3.724   5.111   7.415
  541   1HB   LYS  29          2HB       LYS  29   4.508   7.396   6.152
  542   2HB   LYS  29          1HB       LYS  29   3.826   8.114   7.608
  543   1HG   LYS  29          2HG       LYS  29   6.200   7.781   7.937
  544   2HG   LYS  29          1HG       LYS  29   5.314   6.682   9.004
  545   1HD   LYS  29          2HD       LYS  29   7.269   5.584   7.950
  546   2HD   LYS  29          1HD       LYS  29   5.755   4.792   7.497
  547   1HE   LYS  29          2HE       LYS  29   5.799   5.991   5.301
  548   2HE   LYS  29          1HE       LYS  29   7.334   6.762   5.766
  549   1HZ   LYS  29          1HZ       LYS  29   6.845   3.848   5.519
  550   2HZ   LYS  29          3HZ       LYS  29   7.677   4.819   4.401
  551   3HZ   LYS  29          2HZ       LYS  29   8.315   4.579   5.956
  552    H    LYS  30           H        LYS  30   1.296   7.654   7.372
  553    HA   LYS  30           HA       LYS  30   0.820   7.918  10.159
  554   1HB   LYS  30          2HB       LYS  30   0.155   9.529   8.370
  555   2HB   LYS  30          1HB       LYS  30  -1.059   8.390   7.803
  556   1HG   LYS  30          2HG       LYS  30  -1.054   9.584  10.601
  557   2HG   LYS  30          1HG       LYS  30  -1.888  10.322   9.235
  558   1HD   LYS  30          2HD       LYS  30  -2.518   7.624  10.516
  559   2HD   LYS  30          1HD       LYS  30  -3.476   9.099  10.595
  560   1HE   LYS  30          2HE       LYS  30  -2.961   7.478   8.060
  561   2HE   LYS  30          1HE       LYS  30  -4.466   7.508   9.001
  562   1HZ   LYS  30          1HZ       LYS  30  -3.209   9.836   7.676
  563   2HZ   LYS  30          3HZ       LYS  30  -4.566   8.982   7.112
  564   3HZ   LYS  30          2HZ       LYS  30  -4.654   9.857   8.568
  565    H    LYS  31           H        LYS  31  -0.869   6.037   7.659
  566    HA   LYS  31           HA       LYS  31  -2.909   4.896   9.209
  567   1HB   LYS  31          2HB       LYS  31  -1.446   3.860   6.746
  568   2HB   LYS  31          1HB       LYS  31  -2.876   3.072   7.420
  569   1HG   LYS  31          2HG       LYS  31  -2.795   5.976   6.493
  570   2HG   LYS  31          1HG       LYS  31  -3.322   4.630   5.484
  571   1HD   LYS  31          2HD       LYS  31  -4.631   5.483   8.104
  572   2HD   LYS  31          1HD       LYS  31  -5.230   5.869   6.483
  573   1HE   LYS  31          2HE       LYS  31  -5.541   3.436   6.023
  574   2HE   LYS  31          1HE       LYS  31  -4.969   3.061   7.666
  575   1HZ   LYS  31          1HZ       LYS  31  -7.321   4.726   6.986
  576   2HZ   LYS  31          3HZ       LYS  31  -7.359   3.127   7.556
  577   3HZ   LYS  31          2HZ       LYS  31  -6.771   4.368   8.552
  578    H    CYS  32           H        CYS  32   0.029   3.167   8.142
  579    HA   CYS  32           HA       CYS  32  -0.133   1.080  10.088
  580   1HB   CYS  32          2HB       CYS  32   1.173   0.894   7.991
  581   2HB   CYS  32          1HB       CYS  32   2.263   2.179   8.538
  582    H    ASP  33           H        ASP  33   1.564   0.724  11.765
  583    HA   ASP  33           HA       ASP  33   2.465   3.185  13.153
  584   1HB   ASP  33          2HB       ASP  33   0.741   1.009  14.429
  585   2HB   ASP  33          1HB       ASP  33   1.490   2.365  15.291
  586    H    LYS  34           H        LYS  34   4.358   2.227  12.113
  587    HA   LYS  34           HA       LYS  34   5.592  -0.177  13.032
  588   1HB   LYS  34          2HB       LYS  34   6.848   2.337  11.846
  589   2HB   LYS  34          1HB       LYS  34   7.626   0.753  11.956
  590   1HG   LYS  34          2HG       LYS  34   5.145   1.430  10.311
  591   2HG   LYS  34          1HG       LYS  34   6.779   1.180   9.687
  592   1HD   LYS  34          2HD       LYS  34   5.074  -0.938  11.073
  593   2HD   LYS  34          1HD       LYS  34   5.316  -0.797   9.330
  594   1HE   LYS  34          2HE       LYS  34   7.517  -1.371  11.368
  595   2HE   LYS  34          1HE       LYS  34   6.749  -2.568  10.302
  596   1HZ   LYS  34          2HZ       LYS  34   7.519  -1.318   8.406
  597   2HZ   LYS  34          1HZ       LYS  34   8.255  -0.174   9.424
  598   3HZ   LYS  34          3HZ       LYS  34   8.823  -1.775   9.396
   
  No H/Q in entry =         598
  Start of MODEL          10
 Raw file had  604 H/Q atoms
  Start of MODEL   10
    1   1H    GLY   1          2H        GLY   1   2.148 -19.111   1.564
    2   2H    GLY   1          1H        GLY   1   0.584 -18.518   1.277
    3   3H    GLY   1          3H        GLY   1   1.378 -19.428   0.084
    4   1HA   GLY   1          2HA       GLY   1   3.033 -17.725  -0.181
    5   2HA   GLY   1          1HA       GLY   1   1.397 -17.105  -0.478
    6    H    VAL   2           H        VAL   2   2.980 -15.195  -0.072
    7    HA   VAL   2           HA       VAL   2   3.711 -14.438   2.562
    8    HB   VAL   2           HB       VAL   2   4.678 -13.456   0.547
    9   1HG1  VAL   2          2HG1      VAL   2   2.738 -13.265  -0.927
   10   2HG1  VAL   2          1HG1      VAL   2   2.045 -11.993   0.109
   11   3HG1  VAL   2          3HG1      VAL   2   3.562 -11.701  -0.761
   12   1HG2  VAL   2          1HG2      VAL   2   4.936 -12.248   2.632
   13   2HG2  VAL   2          3HG2      VAL   2   4.764 -11.098   1.288
   14   3HG2  VAL   2          2HG2      VAL   2   3.393 -11.400   2.377
   15    H    ILE   3           H        ILE   3   0.882 -13.620   0.618
   16    HA   ILE   3           HA       ILE   3  -0.733 -13.143   3.039
   17    HB   ILE   3           HB       ILE   3  -0.218 -11.159   0.808
   18   1HG1  ILE   3          2HG1      ILE   3   0.012 -10.888   3.819
   19   2HG1  ILE   3          1HG1      ILE   3   1.342 -11.025   2.663
   20   1HG2  ILE   3          2HG2      ILE   3  -2.651 -11.227   1.066
   21   2HG2  ILE   3          1HG2      ILE   3  -2.481 -11.009   2.824
   22   3HG2  ILE   3          3HG2      ILE   3  -2.016  -9.704   1.709
   23   1HD1  ILE   3          2HD1      ILE   3   0.723  -8.853   1.656
   24   2HD1  ILE   3          1HD1      ILE   3  -0.613  -8.690   2.820
   25   3HD1  ILE   3          3HD1      ILE   3   1.068  -8.698   3.392
   26    HA   PRO   4           HA       PRO   4  -3.450 -15.483   0.372
   27   1HB   PRO   4          2HB       PRO   4  -5.655 -15.602   1.942
   28   2HB   PRO   4          1HB       PRO   4  -4.116 -16.357   2.474
   29   1HG   PRO   4          1HG       PRO   4  -5.199 -13.583   3.156
   30   2HG   PRO   4          2HG       PRO   4  -4.665 -14.874   4.290
   31   1HD   PRO   4          1HD       PRO   4  -2.963 -12.882   3.523
   32   2HD   PRO   4          2HD       PRO   4  -2.376 -14.563   3.756
   33    H    LYS   5           H        LYS   5  -5.679 -15.427  -0.484
   34    HA   LYS   5           HA       LYS   5  -6.231 -13.132  -2.016
   35   1HB   LYS   5          2HB       LYS   5  -6.946 -15.478  -2.551
   36   2HB   LYS   5          1HB       LYS   5  -8.146 -15.380  -1.250
   37   1HG   LYS   5          2HG       LYS   5  -9.181 -13.403  -2.451
   38   2HG   LYS   5          1HG       LYS   5  -8.029 -13.661  -3.763
   39   1HD   LYS   5          2HD       LYS   5 -10.177 -14.640  -4.361
   40   2HD   LYS   5          1HD       LYS   5  -8.983 -15.931  -4.145
   41   1HE   LYS   5          2HE       LYS   5  -9.911 -16.422  -1.894
   42   2HE   LYS   5          1HE       LYS   5 -11.085 -15.098  -2.086
   43   1HZ   LYS   5          2HZ       LYS   5 -11.972 -16.222  -4.012
   44   2HZ   LYS   5          1HZ       LYS   5 -10.853 -17.486  -3.826
   45   3HZ   LYS   5          3HZ       LYS   5 -12.044 -17.223  -2.642
   46    H    LYS   6           H        LYS   6  -7.787 -14.358   0.918
   47    HA   LYS   6           HA       LYS   6  -9.952 -12.633   1.206
   48   1HB   LYS   6          2HB       LYS   6  -9.250 -14.670   2.609
   49   2HB   LYS   6          1HB       LYS   6  -8.199 -13.582   3.507
   50   1HG   LYS   6          2HG       LYS   6 -11.226 -13.338   3.271
   51   2HG   LYS   6          1HG       LYS   6 -10.366 -14.028   4.646
   52   1HD   LYS   6          2HD       LYS   6 -10.326 -11.113   3.755
   53   2HD   LYS   6          1HD       LYS   6 -11.131 -11.783   5.167
   54   1HE   LYS   6          2HE       LYS   6  -8.107 -11.752   4.765
   55   2HE   LYS   6          1HE       LYS   6  -9.029 -10.625   5.783
   56   1HZ   LYS   6          2HZ       LYS   6  -9.795 -12.491   7.082
   57   2HZ   LYS   6          1HZ       LYS   6  -8.918 -13.567   6.102
   58   3HZ   LYS   6          3HZ       LYS   6  -8.096 -12.429   7.059
   59    H    ILE   7           H        ILE   7  -6.688 -12.212   2.574
   60    HA   ILE   7           HA       ILE   7  -7.058  -9.655   3.695
   61    HB   ILE   7           HB       ILE   7  -4.572 -11.022   2.650
   62   1HG1  ILE   7          2HG1      ILE   7  -5.678 -12.168   4.528
   63   2HG1  ILE   7          1HG1      ILE   7  -4.072 -11.566   4.953
   64   1HG2  ILE   7          1HG2      ILE   7  -4.710  -8.470   4.305
   65   2HG2  ILE   7          3HG2      ILE   7  -3.232  -9.408   4.001
   66   3HG2  ILE   7          2HG2      ILE   7  -4.085  -8.633   2.649
   67   1HD1  ILE   7          1HD1      ILE   7  -6.723 -10.242   5.708
   68   2HD1  ILE   7          3HD1      ILE   7  -5.690 -11.205   6.788
   69   3HD1  ILE   7          2HD1      ILE   7  -5.106  -9.650   6.154
   70    H    TRP   8           H        TRP   8  -5.819 -10.536   0.473
   71    HA   TRP   8           HA       TRP   8  -5.222  -7.988  -0.510
   72   1HB   TRP   8          2HB       TRP   8  -6.291 -10.440  -1.976
   73   2HB   TRP   8          1HB       TRP   8  -5.685  -8.992  -2.794
   74    HD1  TRP   8          1HD       TRP   8  -4.374 -12.205  -2.576
   75    HE1  TRP   8          1HE       TRP   8  -1.882 -12.363  -2.254
   76    HE3  TRP   8          3HE       TRP   8  -3.502  -7.443  -0.826
   77    HZ2  TRP   8          2HZ       TRP   8   0.202 -10.683  -1.378
   78    HZ3  TRP   8          3HZ       TRP   8  -1.208  -6.788  -0.287
   79    HH2  TRP   8          2HH       TRP   8   0.651  -8.396  -0.554
   80    H    GLU   9           H        GLU   9  -8.332  -9.641  -0.515
   81    HA   GLU   9           HA       GLU   9  -9.844  -7.706  -1.953
   82   1HB   GLU   9          2HB       GLU   9 -10.703  -9.679   0.212
   83   2HB   GLU   9          1HB       GLU   9 -11.807  -8.781  -0.838
   84   1HG   GLU   9          2HG       GLU   9 -11.026  -9.935  -2.807
   85   2HG   GLU   9          1HG       GLU   9  -9.675 -10.671  -1.933
   86    H    THR  10           H        THR  10  -9.276  -8.173   1.505
   87    HA   THR  10           HA       THR  10 -11.008  -6.141   2.480
   88    HB   THR  10           HB       THR  10  -8.536  -7.364   3.785
   89    HG1  THR  10           HG1      THR  10 -10.147  -8.887   3.102
   90   1HG2  THR  10          1HG2      THR  10 -10.980  -6.030   5.050
   91   2HG2  THR  10          3HG2      THR  10  -9.671  -6.850   5.933
   92   3HG2  THR  10          2HG2      THR  10  -9.329  -5.366   5.021
   93    H    VAL  11           H        VAL  11  -7.563  -6.115   1.703
   94    HA   VAL  11           HA       VAL  11  -7.052  -3.470   2.731
   95    HB   VAL  11           HB       VAL  11  -4.854  -3.659   1.747
   96   1HG1  VAL  11          1HG1      VAL  11  -5.699  -6.204   3.176
   97   2HG1  VAL  11          3HG1      VAL  11  -4.023  -5.654   2.957
   98   3HG1  VAL  11          2HG1      VAL  11  -5.159  -4.683   3.916
   99   1HG2  VAL  11          2HG2      VAL  11  -5.776  -6.242   0.460
  100   2HG2  VAL  11          1HG2      VAL  11  -5.323  -4.744  -0.380
  101   3HG2  VAL  11          3HG2      VAL  11  -4.097  -5.664   0.519
  102    H    CYS  12           H        CYS  12  -8.198  -4.657  -0.301
  103    HA   CYS  12           HA       CYS  12  -7.383  -3.125  -2.318
  104   1HB   CYS  12          2HB       CYS  12 -10.161  -3.957  -1.550
  105   2HB   CYS  12          1HB       CYS  12  -9.963  -2.878  -2.924
  106    HA   PRO  13           HA       PRO  13  -9.994   0.849  -1.508
  107   1HB   PRO  13          2HB       PRO  13 -11.113   1.249   0.972
  108   2HB   PRO  13          1HB       PRO  13 -11.953   0.370  -0.346
  109   1HG   PRO  13          1HG       PRO  13 -10.295  -0.783   1.946
  110   2HG   PRO  13          2HG       PRO  13 -11.954  -1.234   1.426
  111   1HD   PRO  13          1HD       PRO  13  -9.843  -2.676   0.575
  112   2HD   PRO  13          2HD       PRO  13 -11.174  -2.283  -0.565
  113    H    THR  14           H        THR  14  -8.395  -0.339   1.415
  114    HA   THR  14           HA       THR  14  -7.399   2.086   2.459
  115    HB   THR  14           HB       THR  14  -6.192  -0.714   2.648
  116    HG1  THR  14           HG1      THR  14  -7.512  -0.822   4.533
  117   1HG2  THR  14          1HG2      THR  14  -5.929   1.666   4.541
  118   2HG2  THR  14          3HG2      THR  14  -5.287   0.032   4.821
  119   3HG2  THR  14          2HG2      THR  14  -4.645   1.019   3.493
  120    H    VAL  15           H        VAL  15  -5.811  -0.295   0.363
  121    HA   VAL  15           HA       VAL  15  -3.435   1.295  -0.072
  122    HB   VAL  15           HB       VAL  15  -2.740  -0.458  -1.576
  123   1HG1  VAL  15          2HG1      VAL  15  -2.412  -0.862   0.803
  124   2HG1  VAL  15          1HG1      VAL  15  -4.023  -1.601   0.933
  125   3HG1  VAL  15          3HG1      VAL  15  -2.759  -2.394  -0.034
  126   1HG2  VAL  15          2HG2      VAL  15  -5.517  -1.666  -1.303
  127   2HG2  VAL  15          1HG2      VAL  15  -4.808  -0.961  -2.773
  128   3HG2  VAL  15          3HG2      VAL  15  -4.123  -2.446  -2.078
  129    H    GLU  16           H        GLU  16  -6.514   1.136  -1.559
  130    HA   GLU  16           HA       GLU  16  -6.185   1.559  -4.237
  131   1HB   GLU  16          2HB       GLU  16  -8.366   1.362  -3.097
  132   2HB   GLU  16          1HB       GLU  16  -8.178   2.990  -2.436
  133   1HG   GLU  16          2HG       GLU  16  -8.200   3.928  -4.737
  134   2HG   GLU  16          1HG       GLU  16  -8.402   2.293  -5.392
  135    HA   PRO  17           HA       PRO  17  -5.447   6.324  -3.769
  136   1HB   PRO  17          2HB       PRO  17  -4.517   7.237  -1.338
  137   2HB   PRO  17          1HB       PRO  17  -6.256   7.189  -1.769
  138   1HG   PRO  17          1HG       PRO  17  -4.629   5.126  -0.212
  139   2HG   PRO  17          2HG       PRO  17  -6.197   5.885   0.227
  140   1HD   PRO  17          1HD       PRO  17  -6.170   3.464  -0.930
  141   2HD   PRO  17          2HD       PRO  17  -7.389   4.677  -1.442
  142    H    TRP  18           H        TRP  18  -3.404   4.410  -1.536
  143    HA   TRP  18           HA       TRP  18  -1.031   5.899  -2.105
  144   1HB   TRP  18          2HB       TRP  18  -1.219   3.144  -0.817
  145   2HB   TRP  18          1HB       TRP  18   0.159   4.259  -0.744
  146    HD1  TRP  18          1HD       TRP  18  -1.424   7.046  -0.001
  147    HE1  TRP  18          1HE       TRP  18  -2.410   7.346   2.292
  148    HE3  TRP  18          3HE       TRP  18  -1.792   2.115   1.300
  149    HZ2  TRP  18          2HZ       TRP  18  -3.220   5.680   4.437
  150    HZ3  TRP  18          3HZ       TRP  18  -2.648   1.527   3.544
  151    HH2  TRP  18          2HH       TRP  18  -3.374   3.305   5.104
  152    H    ALA  19           H        ALA  19  -1.684   2.469  -2.777
  153    HA   ALA  19           HA       ALA  19   0.576   1.836  -4.233
  154   1HB   ALA  19          2HB       ALA  19  -1.048   0.162  -3.441
  155   2HB   ALA  19          1HB       ALA  19  -2.250   0.744  -4.618
  156   3HB   ALA  19          3HB       ALA  19  -0.755  -0.043  -5.184
  157    H    LYS  20           H        LYS  20  -2.502   2.956  -5.576
  158    HA   LYS  20           HA       LYS  20  -1.794   2.983  -8.309
  159   1HB   LYS  20          2HB       LYS  20  -3.795   4.576  -6.673
  160   2HB   LYS  20          1HB       LYS  20  -3.622   4.810  -8.415
  161   1HG   LYS  20          2HG       LYS  20  -5.478   3.257  -7.785
  162   2HG   LYS  20          1HG       LYS  20  -4.298   2.553  -8.892
  163   1HD   LYS  20          2HD       LYS  20  -3.295   1.247  -7.102
  164   2HD   LYS  20          1HD       LYS  20  -4.300   2.035  -5.880
  165   1HE   LYS  20          2HE       LYS  20  -5.312   0.246  -8.144
  166   2HE   LYS  20          1HE       LYS  20  -5.133  -0.235  -6.440
  167   1HZ   LYS  20          2HZ       LYS  20  -6.701   1.483  -5.834
  168   2HZ   LYS  20          1HZ       LYS  20  -6.874   1.933  -7.461
  169   3HZ   LYS  20          3HZ       LYS  20  -7.389   0.398  -6.947
  170    H    LYS  21           H        LYS  21  -1.706   5.615  -5.922
  171    HA   LYS  21           HA       LYS  21  -0.073   7.336  -7.648
  172   1HB   LYS  21          2HB       LYS  21  -1.005   7.655  -4.766
  173   2HB   LYS  21          1HB       LYS  21  -0.171   8.894  -5.717
  174   1HG   LYS  21          2HG       LYS  21  -2.053   8.980  -7.304
  175   2HG   LYS  21          1HG       LYS  21  -2.882   7.686  -6.423
  176   1HD   LYS  21          2HD       LYS  21  -3.847   9.850  -5.822
  177   2HD   LYS  21          1HD       LYS  21  -3.037   9.137  -4.420
  178   1HE   LYS  21          2HE       LYS  21  -1.068  10.623  -4.807
  179   2HE   LYS  21          1HE       LYS  21  -1.898  11.342  -6.207
  180   1HZ   LYS  21          2HZ       LYS  21  -3.668  12.037  -4.744
  181   2HZ   LYS  21          1HZ       LYS  21  -2.875  11.348  -3.410
  182   3HZ   LYS  21          3HZ       LYS  21  -2.177  12.664  -4.225
  183    H    CYS  22           H        CYS  22   1.300   5.076  -7.401
  184    HA   CYS  22           HA       CYS  22   3.693   5.892  -5.912
  185   1HB   CYS  22          2HB       CYS  22   2.272   4.432  -4.358
  186   2HB   CYS  22          1HB       CYS  22   2.525   3.101  -5.502
  187    H    SER  23           H        SER  23   5.488   4.289  -6.333
  188    HA   SER  23           HA       SER  23   5.346   3.043  -9.022
  189   1HB   SER  23          2HB       SER  23   7.404   5.139  -8.155
  190   2HB   SER  23          1HB       SER  23   7.436   4.230  -9.683
  191    HG   SER  23           HG       SER  23   5.322   5.961  -8.835
  192    H    GLY  24           H        GLY  24   7.634   2.157  -9.521
  193   1HA   GLY  24          2HA       GLY  24   9.403   0.724  -8.970
  194   2HA   GLY  24          1HA       GLY  24   9.011   0.919  -7.255
  195    H    ASP  25           H        ASP  25   9.636  -1.449  -7.775
  196    HA   ASP  25           HA       ASP  25   7.912  -3.262  -9.070
  197   1HB   ASP  25          2HB       ASP  25   9.887  -3.714  -6.788
  198   2HB   ASP  25          1HB       ASP  25   9.098  -5.014  -7.696
  199    H    ILE  26           H        ILE  26   8.110  -2.365  -5.651
  200    HA   ILE  26           HA       ILE  26   6.234  -4.228  -4.636
  201    HB   ILE  26           HB       ILE  26   6.859  -1.470  -3.531
  202   1HG1  ILE  26          2HG1      ILE  26   8.969  -2.627  -3.900
  203   2HG1  ILE  26          1HG1      ILE  26   8.619  -2.499  -2.177
  204   1HG2  ILE  26          1HG2      ILE  26   5.841  -3.997  -2.162
  205   2HG2  ILE  26          3HG2      ILE  26   6.298  -2.495  -1.334
  206   3HG2  ILE  26          2HG2      ILE  26   4.921  -2.507  -2.456
  207   1HD1  ILE  26          1HD1      ILE  26   8.225  -5.003  -3.882
  208   2HD1  ILE  26          3HD1      ILE  26   9.548  -4.719  -2.730
  209   3HD1  ILE  26          2HD1      ILE  26   7.876  -4.876  -2.141
  210    H    ALA  27           H        ALA  27   5.808  -0.833  -5.608
  211    HA   ALA  27           HA       ALA  27   3.080  -0.494  -5.058
  212   1HB   ALA  27          2HB       ALA  27   4.561   1.358  -5.744
  213   2HB   ALA  27          1HB       ALA  27   4.700   0.662  -7.374
  214   3HB   ALA  27          3HB       ALA  27   3.134   1.279  -6.801
  215    H    THR  28           H        THR  28   4.629  -1.685  -8.003
  216    HA   THR  28           HA       THR  28   2.341  -2.128  -9.596
  217    HB   THR  28           HB       THR  28   5.006  -3.616  -9.589
  218    HG1  THR  28           HG1      THR  28   5.512  -2.038 -11.202
  219   1HG2  THR  28          1HG2      THR  28   2.951  -3.323 -11.829
  220   2HG2  THR  28          3HG2      THR  28   4.555  -4.075 -11.977
  221   3HG2  THR  28          2HG2      THR  28   3.315  -4.824 -10.947
  222    H    TYR  29           H        TYR  29   4.019  -4.260  -7.322
  223    HA   TYR  29           HA       TYR  29   2.568  -6.644  -7.831
  224   1HB   TYR  29          2HB       TYR  29   4.695  -6.703  -6.676
  225   2HB   TYR  29          1HB       TYR  29   4.074  -5.701  -5.362
  226    HD1  TYR  29          1HD       TYR  29   2.198  -6.654  -3.876
  227    HD2  TYR  29          2HD       TYR  29   4.519  -9.057  -6.578
  228    HE1  TYR  29          1HE       TYR  29   1.468  -8.687  -2.695
  229    HE2  TYR  29          2HE       TYR  29   3.789 -11.094  -5.382
  230    HH   TYR  29           HH       TYR  29   1.556 -10.923  -2.599
  231    H    ILE  30           H        ILE  30   2.192  -4.315  -5.173
  232    HA   ILE  30           HA       ILE  30  -0.047  -5.377  -3.893
  233    HB   ILE  30           HB       ILE  30   0.869  -2.497  -4.246
  234   1HG1  ILE  30          2HG1      ILE  30   1.234  -4.340  -1.855
  235   2HG1  ILE  30          1HG1      ILE  30   2.430  -4.196  -3.147
  236   1HG2  ILE  30          1HG2      ILE  30  -1.153  -3.574  -2.232
  237   2HG2  ILE  30          3HG2      ILE  30  -0.461  -1.936  -2.225
  238   3HG2  ILE  30          2HG2      ILE  30  -1.495  -2.452  -3.571
  239   1HD1  ILE  30          1HD1      ILE  30   1.471  -1.906  -1.370
  240   2HD1  ILE  30          3HD1      ILE  30   3.024  -2.758  -1.226
  241   3HD1  ILE  30          2HD1      ILE  30   2.679  -1.785  -2.671
  242    H    LYS  31           H        LYS  31   0.077  -2.993  -6.491
  243    HA   LYS  31           HA       LYS  31  -2.638  -2.470  -6.931
  244   1HB   LYS  31          2HB       LYS  31  -0.770  -1.254  -7.989
  245   2HB   LYS  31          1HB       LYS  31  -0.344  -2.691  -8.926
  246   1HG   LYS  31          2HG       LYS  31  -2.551  -2.559 -10.092
  247   2HG   LYS  31          1HG       LYS  31  -2.933  -1.096  -9.168
  248   1HD   LYS  31          2HD       LYS  31  -2.152  -0.489 -11.403
  249   2HD   LYS  31          1HD       LYS  31  -0.978   0.052 -10.191
  250   1HE   LYS  31          2HE       LYS  31   0.464  -1.914 -10.706
  251   2HE   LYS  31          1HE       LYS  31  -0.720  -2.461 -11.917
  252   1HZ   LYS  31          1HZ       LYS  31   0.731   0.121 -11.945
  253   2HZ   LYS  31          3HZ       LYS  31   1.078  -1.228 -12.916
  254   3HZ   LYS  31          2HZ       LYS  31  -0.393  -0.404 -13.104
  255    H    ARG  32           H        ARG  32  -0.605  -5.057  -8.234
  256    HA   ARG  32           HA       ARG  32  -2.512  -6.291  -9.935
  257   1HB   ARG  32          2HB       ARG  32  -0.077  -6.696 -10.085
  258   2HB   ARG  32          1HB       ARG  32  -0.108  -7.524  -8.522
  259   1HG   ARG  32          2HG       ARG  32  -1.638  -9.238  -9.453
  260   2HG   ARG  32          1HG       ARG  32  -1.557  -8.440 -11.038
  261   1HD   ARG  32          2HD       ARG  32   0.897  -8.860 -11.112
  262   2HD   ARG  32          1HD       ARG  32   0.805  -9.656  -9.521
  263    HE   ARG  32           HE       ARG  32  -1.055 -10.879 -11.297
  264   1HH1  ARG  32          2HH2      ARG  32   2.401 -10.598 -10.736
  265   2HH1  ARG  32          1HH2      ARG  32   2.756 -12.141 -11.442
  266   1HH2  ARG  32          2HH1      ARG  32  -0.568 -12.893 -12.218
  267   2HH2  ARG  32          1HH1      ARG  32   1.074 -13.438 -12.281
  268    H    GLU  33           H        GLU  33  -1.741  -6.829  -6.506
  269    HA   GLU  33           HA       GLU  33  -3.027  -9.308  -6.150
  270   1HB   GLU  33          2HB       GLU  33  -2.872  -7.112  -4.049
  271   2HB   GLU  33          1HB       GLU  33  -3.034  -8.851  -3.787
  272   1HG   GLU  33          2HG       GLU  33  -0.600  -7.338  -4.786
  273   2HG   GLU  33          1HG       GLU  33  -0.760  -8.266  -3.299
  274    H    CYS  34           H        CYS  34  -4.293  -6.099  -5.272
  275    HA   CYS  34           HA       CYS  34  -6.988  -6.927  -4.832
  276   1HB   CYS  34          2HB       CYS  34  -6.110  -4.825  -3.905
  277   2HB   CYS  34          1HB       CYS  34  -5.836  -4.186  -5.537
  278    H    GLY  35           H        GLY  35  -5.432  -5.299  -7.567
  279   1HA   GLY  35          2HA       GLY  35  -7.740  -4.832  -9.127
  280   2HA   GLY  35          1HA       GLY  35  -6.078  -4.816  -9.731
  281    H    LYS  36           H        LYS  36  -5.127  -7.111  -9.951
  282    HA   LYS  36           HA       LYS  36  -6.515  -8.454 -12.009
  283   1HB   LYS  36          2HB       LYS  36  -4.035  -8.533 -11.666
  284   2HB   LYS  36          1HB       LYS  36  -4.289  -9.570 -10.257
  285   1HG   LYS  36          2HG       LYS  36  -5.455 -11.228 -11.795
  286   2HG   LYS  36          1HG       LYS  36  -5.000 -10.203 -13.156
  287   1HD   LYS  36          2HD       LYS  36  -3.371 -11.877 -13.174
  288   2HD   LYS  36          1HD       LYS  36  -2.557 -10.542 -12.359
  289   1HE   LYS  36          2HE       LYS  36  -3.864 -12.920 -10.955
  290   2HE   LYS  36          1HE       LYS  36  -2.128 -12.754 -11.270
  291   1HZ   LYS  36          2HZ       LYS  36  -2.110 -10.769  -9.924
  292   2HZ   LYS  36          1HZ       LYS  36  -3.776 -10.934  -9.616
  293   3HZ   LYS  36          3HZ       LYS  36  -2.687 -12.101  -9.041
  294    H    LEU  37           H        LEU  37  -5.796  -9.669  -8.728
  295    HA   LEU  37           HA       LEU  37  -7.945 -11.663  -8.925
  296   1HB   LEU  37          2HB       LEU  37  -5.586 -12.009  -7.894
  297   2HB   LEU  37          1HB       LEU  37  -6.221 -11.174  -6.474
  298    HG   LEU  37           HG       LEU  37  -7.199 -13.763  -7.713
  299   1HD1  LEU  37          1HD1      LEU  37  -5.960 -13.175  -5.001
  300   2HD1  LEU  37          3HD1      LEU  37  -6.591 -14.755  -5.524
  301   3HD1  LEU  37          2HD1      LEU  37  -5.202 -14.031  -6.365
  302   1HD2  LEU  37          2HD2      LEU  37  -8.485 -12.314  -5.371
  303   2HD2  LEU  37          1HD2      LEU  37  -9.206 -12.590  -6.975
  304   3HD2  LEU  37          3HD2      LEU  37  -8.860 -13.965  -5.914
  305   1H    TRP   1          1H        TRP   1 -11.165   1.004  10.115
  306   2H    TRP   1          3H        TRP   1 -12.464   1.187   9.037
  307   3H    TRP   1          2H        TRP   1 -12.634   0.208  10.415
  308    HA   TRP   1           HA       TRP   1 -12.359  -1.134   8.461
  309   1HB   TRP   1          2HB       TRP   1 -11.125   0.617   7.179
  310   2HB   TRP   1          1HB       TRP   1  -9.710   0.376   8.220
  311    HD1  TRP   1          1HD       TRP   1 -11.997  -2.160   6.120
  312    HE1  TRP   1          1HE       TRP   1 -10.491  -3.758   4.880
  313    HE3  TRP   1          3HE       TRP   1  -7.495  -0.268   7.634
  314    HZ2  TRP   1          2HZ       TRP   1  -7.698  -4.188   4.605
  315    HZ3  TRP   1          3HZ       TRP   1  -5.417  -1.285   6.762
  316    HH2  TRP   1          2HH       TRP   1  -5.514  -3.261   5.301
  317    H    SER   2           H        SER   2 -10.793  -2.977   8.332
  318    HA   SER   2           HA       SER   2 -10.511  -4.155  10.884
  319   1HB   SER   2          2HB       SER   2 -10.888  -5.442   8.808
  320   2HB   SER   2          1HB       SER   2  -9.269  -4.997   8.226
  321    HG   SER   2           HG       SER   2  -9.353  -7.080   9.303
  322    H    THR   3           H        THR   3  -9.126  -3.667  12.354
  323    HA   THR   3           HA       THR   3  -6.674  -2.267  12.047
  324    HB   THR   3           HB       THR   3  -7.694  -3.981  14.356
  325    HG1  THR   3           HG1      THR   3  -8.368  -1.903  15.139
  326   1HG2  THR   3          1HG2      THR   3  -5.552  -1.802  14.378
  327   2HG2  THR   3          3HG2      THR   3  -6.214  -2.630  15.806
  328   3HG2  THR   3          2HG2      THR   3  -5.264  -3.541  14.614
  329    H    ILE   4           H        ILE   4  -7.327  -5.689  12.753
  330    HA   ILE   4           HA       ILE   4  -4.678  -6.608  12.986
  331    HB   ILE   4           HB       ILE   4  -7.133  -8.074  11.947
  332   1HG1  ILE   4          2HG1      ILE   4  -7.599  -7.163  14.135
  333   2HG1  ILE   4          1HG1      ILE   4  -7.414  -8.916  14.245
  334   1HG2  ILE   4          1HG2      ILE   4  -4.542  -9.235  13.044
  335   2HG2  ILE   4          3HG2      ILE   4  -6.016 -10.163  12.683
  336   3HG2  ILE   4          2HG2      ILE   4  -5.136  -9.349  11.372
  337   1HD1  ILE   4          2HD1      ILE   4  -5.112  -8.624  15.146
  338   2HD1  ILE   4          1HD1      ILE   4  -5.299  -6.857  15.039
  339   3HD1  ILE   4          3HD1      ILE   4  -6.320  -7.796  16.151
  340    H    VAL   5           H        VAL   5  -6.810  -6.750  10.145
  341    HA   VAL   5           HA       VAL   5  -4.962  -7.750   8.275
  342    HB   VAL   5           HB       VAL   5  -7.370  -5.940   7.877
  343   1HG1  VAL   5          1HG1      VAL   5  -5.843  -7.545   5.783
  344   2HG1  VAL   5          3HG1      VAL   5  -7.389  -6.711   5.516
  345   3HG1  VAL   5          2HG1      VAL   5  -5.929  -5.772   5.887
  346   1HG2  VAL   5          1HG2      VAL   5  -7.900  -8.121   8.914
  347   2HG2  VAL   5          3HG2      VAL   5  -8.526  -8.049   7.253
  348   3HG2  VAL   5          2HG2      VAL   5  -7.044  -8.963   7.610
  349    H    LYS   6           H        LYS   6  -5.625  -4.413   9.250
  350    HA   LYS   6           HA       LYS   6  -4.100  -3.046   7.316
  351   1HB   LYS   6          2HB       LYS   6  -5.655  -1.957   8.964
  352   2HB   LYS   6          1HB       LYS   6  -4.462  -2.246  10.236
  353   1HG   LYS   6          2HG       LYS   6  -2.853  -0.791   9.193
  354   2HG   LYS   6          1HG       LYS   6  -3.820  -0.650   7.720
  355   1HD   LYS   6          2HD       LYS   6  -5.633   0.446   9.160
  356   2HD   LYS   6          1HD       LYS   6  -4.458   0.468  10.485
  357   1HE   LYS   6          2HE       LYS   6  -4.463   2.650   9.385
  358   2HE   LYS   6          1HE       LYS   6  -2.917   1.840   9.044
  359   1HZ   LYS   6          2HZ       LYS   6  -3.786   1.135   6.930
  360   2HZ   LYS   6          1HZ       LYS   6  -5.265   1.909   7.244
  361   3HZ   LYS   6          3HZ       LYS   6  -3.846   2.826   7.073
  362    H    LEU   7           H        LEU   7  -3.120  -4.054  10.583
  363    HA   LEU   7           HA       LEU   7  -0.432  -3.288  10.529
  364   1HB   LEU   7          2HB       LEU   7  -1.731  -5.672  11.915
  365   2HB   LEU   7          1HB       LEU   7  -0.107  -5.069  12.271
  366    HG   LEU   7           HG       LEU   7  -2.669  -3.454  12.577
  367   1HD1  LEU   7          1HD1      LEU   7  -0.980  -4.820  14.710
  368   2HD1  LEU   7          3HD1      LEU   7  -2.350  -3.727  15.018
  369   3HD1  LEU   7          2HD1      LEU   7  -2.622  -5.283  14.205
  370   1HD2  LEU   7          2HD2      LEU   7   0.176  -2.798  13.445
  371   2HD2  LEU   7          1HD2      LEU   7  -0.744  -2.002  12.146
  372   3HD2  LEU   7          3HD2      LEU   7  -1.273  -1.842  13.834
  373    H    THR   8           H        THR   8  -1.904  -6.305   9.433
  374    HA   THR   8           HA       THR   8   0.412  -7.793   8.833
  375    HB   THR   8           HB       THR   8  -2.324  -7.837   7.484
  376    HG1  THR   8           HG1      THR   8  -2.295  -8.231   9.767
  377   1HG2  THR   8          1HG2      THR   8  -0.164  -9.995   7.516
  378   2HG2  THR   8          3HG2      THR   8  -1.810 -10.172   6.862
  379   3HG2  THR   8          2HG2      THR   8  -0.668  -9.049   6.094
  380    H    ILE   9           H        ILE   9  -1.520  -5.678   6.717
  381    HA   ILE   9           HA       ILE   9   0.184  -6.106   4.435
  382    HB   ILE   9           HB       ILE   9  -2.194  -5.678   4.171
  383   1HG1  ILE   9          2HG1      ILE   9  -2.116  -4.034   2.327
  384   2HG1  ILE   9          1HG1      ILE   9  -0.500  -3.538   2.843
  385   1HG2  ILE   9          1HG2      ILE   9  -1.655  -2.851   5.148
  386   2HG2  ILE   9          3HG2      ILE   9  -3.156  -3.404   4.374
  387   3HG2  ILE   9          2HG2      ILE   9  -2.665  -4.090   5.933
  388   1HD1  ILE   9          1HD1      ILE   9  -1.276  -6.328   1.877
  389   2HD1  ILE   9          3HD1      ILE   9  -0.387  -5.106   0.938
  390   3HD1  ILE   9          2HD1      ILE   9   0.356  -5.830   2.380
  391    H    CYS  10           H        CYS  10   0.171  -3.764   7.005
  392    HA   CYS  10           HA       CYS  10   1.168  -1.468   5.892
  393   1HB   CYS  10          2HB       CYS  10   1.881  -2.627   8.598
  394   2HB   CYS  10          1HB       CYS  10   2.323  -0.996   8.073
  395    HA   PRO  11           HA       PRO  11   5.840  -2.812   6.465
  396   1HB   PRO  11          2HB       PRO  11   6.291  -5.533   6.030
  397   2HB   PRO  11          1HB       PRO  11   6.170  -4.763   7.646
  398   1HG   PRO  11          1HG       PRO  11   3.987  -6.149   6.030
  399   2HG   PRO  11          2HG       PRO  11   4.434  -6.388   7.755
  400   1HD   PRO  11          1HD       PRO  11   2.370  -4.809   7.170
  401   2HD   PRO  11          2HD       PRO  11   3.560  -4.240   8.387
  402    H    THR  12           H        THR  12   3.851  -4.852   4.340
  403    HA   THR  12           HA       THR  12   5.435  -4.801   2.003
  404    HB   THR  12           HB       THR  12   2.383  -4.759   2.147
  405    HG1  THR  12           HG1      THR  12   4.218  -6.945   2.276
  406   1HG2  THR  12          1HG2      THR  12   4.253  -5.927   0.039
  407   2HG2  THR  12          3HG2      THR  12   2.478  -6.053   0.048
  408   3HG2  THR  12          2HG2      THR  12   3.256  -4.467  -0.154
  409    H    LEU  13           H        LEU  13   2.907  -2.600   3.134
  410    HA   LEU  13           HA       LEU  13   2.978  -0.758   0.966
  411   1HB   LEU  13          2HB       LEU  13   2.161  -0.142   3.834
  412   2HB   LEU  13          1HB       LEU  13   1.698   0.727   2.366
  413    HG   LEU  13           HG       LEU  13   0.890  -2.089   3.114
  414   1HD1  LEU  13          2HD1      LEU  13  -0.297  -0.418   4.428
  415   2HD1  LEU  13          1HD1      LEU  13  -0.745   0.464   2.949
  416   3HD1  LEU  13          3HD1      LEU  13  -1.404  -1.161   3.252
  417   1HD2  LEU  13          2HD2      LEU  13   0.145  -0.511   0.623
  418   2HD2  LEU  13          1HD2      LEU  13   1.155  -1.978   0.692
  419   3HD2  LEU  13          3HD2      LEU  13  -0.567  -2.066   1.112
  420    H    LYS  14           H        LYS  14   4.974  -1.036   3.840
  421    HA   LYS  14           HA       LYS  14   6.150   1.580   3.772
  422   1HB   LYS  14          2HB       LYS  14   7.291  -1.045   4.833
  423   2HB   LYS  14          1HB       LYS  14   8.003   0.547   5.093
  424   1HG   LYS  14          2HG       LYS  14   5.253  -0.319   6.072
  425   2HG   LYS  14          1HG       LYS  14   6.718  -0.253   7.052
  426   1HD   LYS  14          2HD       LYS  14   6.848   2.202   6.695
  427   2HD   LYS  14          1HD       LYS  14   5.387   2.137   5.697
  428   1HE   LYS  14          2HE       LYS  14   4.868   2.908   7.985
  429   2HE   LYS  14          1HE       LYS  14   4.067   1.357   7.646
  430   1HZ   LYS  14          2HZ       LYS  14   5.864   0.243   8.793
  431   2HZ   LYS  14          1HZ       LYS  14   6.611   1.733   9.120
  432   3HZ   LYS  14          3HZ       LYS  14   5.102   1.370   9.809
  433    H    SER  15           H        SER  15   7.138  -1.554   2.468
  434    HA   SER  15           HA       SER  15   9.494  -0.811   1.112
  435   1HB   SER  15          2HB       SER  15   7.441  -2.930   0.308
  436   2HB   SER  15          1HB       SER  15   9.132  -2.843  -0.236
  437    HG   SER  15           HG       SER  15   8.267  -3.142   2.472
  438    H    MET  16           H        MET  16   6.121  -0.716   0.110
  439    HA   MET  16           HA       MET  16   6.435   0.247  -2.550
  440   1HB   MET  16          2HB       MET  16   4.345  -0.729  -1.614
  441   2HB   MET  16          1HB       MET  16   4.164   0.670  -0.557
  442   1HG   MET  16          2HG       MET  16   3.849   2.146  -2.451
  443   2HG   MET  16          1HG       MET  16   4.181   0.830  -3.593
  444   1HE   MET  16          2HE       MET  16   2.009   0.917  -0.232
  445   2HE   MET  16          1HE       MET  16   1.641   2.448  -1.066
  446   3HE   MET  16          3HE       MET  16   0.388   1.195  -0.917
  447    H    ALA  17           H        ALA  17   6.066   1.872   0.542
  448    HA   ALA  17           HA       ALA  17   5.699   4.543  -0.303
  449   1HB   ALA  17          2HB       ALA  17   5.190   3.785   1.981
  450   2HB   ALA  17          1HB       ALA  17   6.913   3.478   2.287
  451   3HB   ALA  17          3HB       ALA  17   6.345   5.137   2.021
  452    H    LYS  18           H        LYS  18   8.582   2.629   0.035
  453    HA   LYS  18           HA       LYS  18  10.659   4.396   0.336
  454   1HB   LYS  18          2HB       LYS  18  10.534   2.059  -1.611
  455   2HB   LYS  18          1HB       LYS  18  12.019   2.850  -1.077
  456   1HG   LYS  18          2HG       LYS  18  10.056   1.331   0.692
  457   2HG   LYS  18          1HG       LYS  18  11.632   0.748   0.150
  458   1HD   LYS  18          2HD       LYS  18  11.137   3.123   2.002
  459   2HD   LYS  18          1HD       LYS  18  11.699   1.519   2.491
  460   1HE   LYS  18          2HE       LYS  18  13.778   1.831   1.157
  461   2HE   LYS  18          1HE       LYS  18  13.223   3.453   0.678
  462   1HZ   LYS  18          1HZ       LYS  18  13.696   2.531   3.451
  463   2HZ   LYS  18          3HZ       LYS  18  14.716   3.545   2.548
  464   3HZ   LYS  18          2HZ       LYS  18  13.166   4.077   2.992
  465    H    LYS  19           H        LYS  19   8.823   3.852  -2.638
  466    HA   LYS  19           HA       LYS  19   9.797   6.417  -3.694
  467   1HB   LYS  19          2HB       LYS  19  11.425   4.666  -4.466
  468   2HB   LYS  19          1HB       LYS  19  10.098   3.840  -5.296
  469   1HG   LYS  19          2HG       LYS  19   9.736   5.853  -6.720
  470   2HG   LYS  19          1HG       LYS  19  11.050   6.681  -5.875
  471   1HD   LYS  19          2HD       LYS  19  11.345   4.134  -7.527
  472   2HD   LYS  19          1HD       LYS  19  11.739   5.768  -8.088
  473   1HE   LYS  19          2HE       LYS  19  13.481   5.951  -6.306
  474   2HE   LYS  19          1HE       LYS  19  13.100   4.293  -5.779
  475   1HZ   LYS  19          2HZ       LYS  19  13.676   3.507  -7.970
  476   2HZ   LYS  19          1HZ       LYS  19  14.041   5.087  -8.472
  477   3HZ   LYS  19          3HZ       LYS  19  14.977   4.343  -7.267
  478    H    CYS  20           H        CYS  20   7.439   6.419  -2.857
  479    HA   CYS  20           HA       CYS  20   5.561   5.858  -5.061
  480   1HB   CYS  20          2HB       CYS  20   5.127   7.041  -2.295
  481   2HB   CYS  20          1HB       CYS  20   3.850   6.863  -3.509
  482    H    GLU  21           H        GLU  21   3.951   7.587  -5.513
  483    HA   GLU  21           HA       GLU  21   5.361   9.874  -6.658
  484   1HB   GLU  21          2HB       GLU  21   2.421   9.046  -6.765
  485   2HB   GLU  21          1HB       GLU  21   3.187  10.293  -7.763
  486   1HG   GLU  21          2HG       GLU  21   4.604   8.624  -8.863
  487   2HG   GLU  21          1HG       GLU  21   4.002   7.346  -7.788
  488    H    GLY  22           H        GLY  22   4.786  12.005  -6.375
  489   1HA   GLY  22          2HA       GLY  22   4.259  13.954  -5.271
  490   2HA   GLY  22          1HA       GLY  22   2.834  13.107  -4.656
  491    H    SER  23           H        SER  23   2.876  12.183  -2.658
  492    HA   SER  23           HA       SER  23   5.232  11.930  -1.001
  493   1HB   SER  23          2HB       SER  23   4.514  13.537   0.764
  494   2HB   SER  23          1HB       SER  23   4.875  14.369  -0.761
  495    HG   SER  23           HG       SER  23   2.270  13.621   0.154
  496    H    ILE  24           H        ILE  24   3.283  10.245  -1.976
  497    HA   ILE  24           HA       ILE  24   1.188   9.585  -0.173
  498    HB   ILE  24           HB       ILE  24   2.636   8.214  -2.419
  499   1HG1  ILE  24          2HG1      ILE  24   1.060   9.960  -3.007
  500   2HG1  ILE  24          1HG1      ILE  24   0.519   8.386  -3.592
  501   1HG2  ILE  24          1HG2      ILE  24   0.479   6.840  -0.798
  502   2HG2  ILE  24          3HG2      ILE  24   1.084   6.303  -2.385
  503   3HG2  ILE  24          2HG2      ILE  24   2.174   6.336  -0.985
  504   1HD1  ILE  24          2HD1      ILE  24  -1.112   8.231  -1.736
  505   2HD1  ILE  24          1HD1      ILE  24  -0.578   9.818  -1.130
  506   3HD1  ILE  24          3HD1      ILE  24  -1.372   9.690  -2.714
  507    H    ALA  25           H        ALA  25   4.530   8.574  -0.375
  508    HA   ALA  25           HA       ALA  25   4.767   6.438   1.332
  509   1HB   ALA  25          2HB       ALA  25   6.652   7.535   0.158
  510   2HB   ALA  25          1HB       ALA  25   6.538   8.928   1.251
  511   3HB   ALA  25          3HB       ALA  25   7.020   7.338   1.889
  512    H    THR  26           H        THR  26   4.544   9.840   2.256
  513    HA   THR  26           HA       THR  26   4.840   9.630   5.049
  514    HB   THR  26           HB       THR  26   3.163  11.635   3.469
  515    HG1  THR  26           HG1      THR  26   5.141  12.838   3.501
  516   1HG2  THR  26          2HG2      THR  26   2.758  11.787   5.922
  517   2HG2  THR  26          1HG2      THR  26   4.510  11.910   6.200
  518   3HG2  THR  26          3HG2      THR  26   3.654  13.201   5.324
  519    H    MET  27           H        MET  27   1.872   9.691   3.084
  520    HA   MET  27           HA       MET  27  -0.032   9.491   5.151
  521   1HB   MET  27          2HB       MET  27  -0.129   8.566   2.255
  522   2HB   MET  27          1HB       MET  27  -1.507   8.457   3.349
  523   1HG   MET  27          2HG       MET  27  -1.644  10.418   1.873
  524   2HG   MET  27          1HG       MET  27  -1.626  10.859   3.580
  525   1HE   MET  27          1HE       MET  27   0.807  11.531   4.819
  526   2HE   MET  27          3HE       MET  27   1.376  13.045   4.078
  527   3HE   MET  27          2HE       MET  27  -0.355  12.812   4.406
  528    H    ILE  28           H        ILE  28   1.269   6.887   3.112
  529    HA   ILE  28           HA       ILE  28  -0.006   4.648   4.042
  530    HB   ILE  28           HB       ILE  28   2.927   5.003   3.306
  531   1HG1  ILE  28          2HG1      ILE  28   0.671   3.916   1.599
  532   2HG1  ILE  28          1HG1      ILE  28   1.192   5.604   1.559
  533   1HG2  ILE  28          1HG2      ILE  28   1.359   2.407   3.550
  534   2HG2  ILE  28          3HG2      ILE  28   2.987   2.563   2.850
  535   3HG2  ILE  28          2HG2      ILE  28   2.728   2.916   4.566
  536   1HD1  ILE  28          2HD1      ILE  28   3.473   4.866   0.856
  537   2HD1  ILE  28          1HD1      ILE  28   2.919   3.175   0.867
  538   3HD1  ILE  28          3HD1      ILE  28   2.222   4.331  -0.285
  539    H    LYS  29           H        LYS  29   3.033   5.919   5.358
  540    HA   LYS  29           HA       LYS  29   3.318   4.107   7.509
  541   1HB   LYS  29          2HB       LYS  29   5.154   5.475   6.617
  542   2HB   LYS  29          1HB       LYS  29   4.358   6.951   7.161
  543   1HG   LYS  29          2HG       LYS  29   5.149   4.796   9.139
  544   2HG   LYS  29          1HG       LYS  29   6.339   5.961   8.551
  545   1HD   LYS  29          2HD       LYS  29   4.892   7.825   9.401
  546   2HD   LYS  29          1HD       LYS  29   3.768   6.628  10.060
  547   1HE   LYS  29          2HE       LYS  29   6.700   6.839  10.869
  548   2HE   LYS  29          1HE       LYS  29   5.350   7.553  11.775
  549   1HZ   LYS  29          2HZ       LYS  29   4.399   5.349  11.997
  550   2HZ   LYS  29          1HZ       LYS  29   5.702   4.678  11.138
  551   3HZ   LYS  29          3HZ       LYS  29   5.966   5.406  12.650
  552    H    LYS  30           H        LYS  30   1.960   7.367   7.414
  553    HA   LYS  30           HA       LYS  30   1.613   7.881  10.115
  554   1HB   LYS  30          2HB       LYS  30   1.381   9.518   8.280
  555   2HB   LYS  30          1HB       LYS  30  -0.132   8.767   7.782
  556   1HG   LYS  30          2HG       LYS  30   0.257  10.020  10.523
  557   2HG   LYS  30          1HG       LYS  30  -0.281  10.940   9.116
  558   1HD   LYS  30          2HD       LYS  30  -2.266   9.403   8.922
  559   2HD   LYS  30          1HD       LYS  30  -1.751   8.596  10.412
  560   1HE   LYS  30          2HE       LYS  30  -3.500  10.208  10.928
  561   2HE   LYS  30          1HE       LYS  30  -1.965  10.730  11.660
  562   1HZ   LYS  30          2HZ       LYS  30  -1.625  12.199   9.788
  563   2HZ   LYS  30          1HZ       LYS  30  -3.097  11.703   9.099
  564   3HZ   LYS  30          3HZ       LYS  30  -3.091  12.548  10.574
  565    H    LYS  31           H        LYS  31  -0.859   6.542   7.919
  566    HA   LYS  31           HA       LYS  31  -2.939   6.331   9.786
  567   1HB   LYS  31          2HB       LYS  31  -2.385   4.816   7.226
  568   2HB   LYS  31          1HB       LYS  31  -3.800   4.458   8.223
  569   1HG   LYS  31          2HG       LYS  31  -4.498   5.971   6.497
  570   2HG   LYS  31          1HG       LYS  31  -4.507   6.854   8.028
  571   1HD   LYS  31          2HD       LYS  31  -2.282   7.861   7.412
  572   2HD   LYS  31          1HD       LYS  31  -2.394   7.018   5.854
  573   1HE   LYS  31          2HE       LYS  31  -4.407   8.295   5.263
  574   2HE   LYS  31          1HE       LYS  31  -4.370   9.112   6.848
  575   1HZ   LYS  31          1HZ       LYS  31  -2.235   9.211   4.794
  576   2HZ   LYS  31          3HZ       LYS  31  -3.351  10.448   5.129
  577   3HZ   LYS  31          2HZ       LYS  31  -2.207   9.992   6.301
  578    H    CYS  32           H        CYS  32  -0.494   3.898   8.935
  579    HA   CYS  32           HA       CYS  32  -1.615   1.809  10.554
  580   1HB   CYS  32          2HB       CYS  32   0.038   1.597   8.577
  581   2HB   CYS  32          1HB       CYS  32   1.306   1.994   9.752
  582    H    ASP  33           H        ASP  33   1.312   3.771  11.037
  583    HA   ASP  33           HA       ASP  33   0.831   3.902  13.944
  584   1HB   ASP  33          2HB       ASP  33   3.430   2.805  12.752
  585   2HB   ASP  33          1HB       ASP  33   3.160   3.167  14.463
  586    H    LYS  34           H        LYS  34   2.763   5.098  14.955
  587    HA   LYS  34           HA       LYS  34   4.097   7.077  13.262
  588   1HB   LYS  34          2HB       LYS  34   2.040   7.807  15.364
  589   2HB   LYS  34          1HB       LYS  34   3.344   8.921  14.958
  590   1HG   LYS  34          2HG       LYS  34   1.162   7.899  13.093
  591   2HG   LYS  34          1HG       LYS  34   1.349   9.534  13.730
  592   1HD   LYS  34          2HD       LYS  34   3.184   8.153  11.725
  593   2HD   LYS  34          1HD       LYS  34   2.080   9.493  11.415
  594   1HE   LYS  34          2HE       LYS  34   3.426  10.989  12.827
  595   2HE   LYS  34          1HE       LYS  34   4.524   9.649  13.236
  596   1HZ   LYS  34          2HZ       LYS  34   5.047   9.423  10.903
  597   2HZ   LYS  34          1HZ       LYS  34   4.018  10.719  10.520
  598   3HZ   LYS  34          3HZ       LYS  34   5.406  10.986  11.462
   
  No H/Q in entry =         598
  Start of MODEL          11
 Raw file had  604 H/Q atoms
  Start of MODEL   11
    1   1H    GLY   1          2H        GLY   1   2.013 -18.194   2.740
    2   2H    GLY   1          1H        GLY   1   0.429 -17.715   2.358
    3   3H    GLY   1          3H        GLY   1   1.318 -18.657   1.258
    4   1HA   GLY   1          2HA       GLY   1   2.883 -16.882   0.931
    5   2HA   GLY   1          1HA       GLY   1   1.227 -16.380   0.536
    6    H    VAL   2           H        VAL   2   2.693 -14.363   0.862
    7    HA   VAL   2           HA       VAL   2   3.266 -13.380   3.463
    8    HB   VAL   2           HB       VAL   2   4.269 -12.498   1.417
    9   1HG1  VAL   2          2HG1      VAL   2   2.386 -12.511  -0.138
   10   2HG1  VAL   2          1HG1      VAL   2   1.587 -11.210   0.776
   11   3HG1  VAL   2          3HG1      VAL   2   3.123 -10.897  -0.054
   12   1HG2  VAL   2          1HG2      VAL   2   4.385 -11.136   3.417
   13   2HG2  VAL   2          3HG2      VAL   2   4.212 -10.091   1.989
   14   3HG2  VAL   2          2HG2      VAL   2   2.815 -10.387   3.048
   15    H    ILE   3           H        ILE   3   0.484 -12.876   1.347
   16    HA   ILE   3           HA       ILE   3  -1.260 -12.308   3.659
   17    HB   ILE   3           HB       ILE   3  -0.796 -10.498   1.273
   18   1HG1  ILE   3          2HG1      ILE   3  -0.563 -10.012   4.252
   19   2HG1  ILE   3          1HG1      ILE   3   0.746 -10.093   3.070
   20   1HG2  ILE   3          2HG2      ILE   3  -3.225 -10.668   1.520
   21   2HG2  ILE   3          1HG2      ILE   3  -3.087 -10.271   3.251
   22   3HG2  ILE   3          3HG2      ILE   3  -2.671  -9.062   2.017
   23   1HD1  ILE   3          2HD1      ILE   3  -0.065  -8.025   1.983
   24   2HD1  ILE   3          1HD1      ILE   3  -1.389  -7.918   3.171
   25   3HD1  ILE   3          3HD1      ILE   3   0.298  -7.767   3.703
   26    HA   PRO   4           HA       PRO   4  -3.742 -15.008   1.121
   27   1HB   PRO   4          2HB       PRO   4  -6.054 -15.021   2.542
   28   2HB   PRO   4          1HB       PRO   4  -4.535 -15.663   3.254
   29   1HG   PRO   4          1HG       PRO   4  -5.723 -12.866   3.541
   30   2HG   PRO   4          2HG       PRO   4  -5.251 -14.005   4.850
   31   1HD   PRO   4          1HD       PRO   4  -3.535 -12.071   3.999
   32   2HD   PRO   4          2HD       PRO   4  -2.931 -13.706   4.429
   33    H    LYS   5           H        LYS   5  -5.903 -15.142   0.121
   34    HA   LYS   5           HA       LYS   5  -6.367 -13.111  -1.764
   35   1HB   LYS   5          2HB       LYS   5  -6.983 -15.516  -2.012
   36   2HB   LYS   5          1HB       LYS   5  -8.256 -15.306  -0.801
   37   1HG   LYS   5          2HG       LYS   5  -9.341 -13.605  -2.315
   38   2HG   LYS   5          1HG       LYS   5  -8.095 -13.943  -3.521
   39   1HD   LYS   5          2HD       LYS   5 -10.160 -15.161  -4.055
   40   2HD   LYS   5          1HD       LYS   5  -8.854 -16.290  -3.678
   41   1HE   LYS   5          2HE       LYS   5 -10.986 -17.019  -2.666
   42   2HE   LYS   5          1HE       LYS   5  -9.798 -16.635  -1.403
   43   1HZ   LYS   5          1HZ       LYS   5 -11.947 -14.841  -2.377
   44   2HZ   LYS   5          3HZ       LYS   5 -11.950 -15.699  -0.910
   45   3HZ   LYS   5          2HZ       LYS   5 -10.810 -14.466  -1.173
   46    H    LYS   6           H        LYS   6  -8.216 -13.973   1.135
   47    HA   LYS   6           HA       LYS   6 -10.350 -12.181   0.963
   48   1HB   LYS   6          2HB       LYS   6 -10.164 -14.045   2.585
   49   2HB   LYS   6          1HB       LYS   6  -8.917 -13.162   3.468
   50   1HG   LYS   6          2HG       LYS   6 -11.704 -12.026   3.056
   51   2HG   LYS   6          1HG       LYS   6 -11.338 -13.129   4.387
   52   1HD   LYS   6          2HD       LYS   6  -9.646 -11.531   5.255
   53   2HD   LYS   6          1HD       LYS   6 -10.006 -10.411   3.937
   54   1HE   LYS   6          2HE       LYS   6 -12.014 -11.302   6.043
   55   2HE   LYS   6          1HE       LYS   6 -11.143  -9.750   6.031
   56   1HZ   LYS   6          1HZ       LYS   6 -12.968 -10.734   3.912
   57   2HZ   LYS   6          3HZ       LYS   6 -13.336  -9.548   5.072
   58   3HZ   LYS   6          2HZ       LYS   6 -12.137  -9.252   3.905
   59    H    ILE   7           H        ILE   7  -7.272 -11.704   2.703
   60    HA   ILE   7           HA       ILE   7  -7.795  -9.065   3.573
   61    HB   ILE   7           HB       ILE   7  -5.184 -10.517   3.112
   62   1HG1  ILE   7          2HG1      ILE   7  -6.611 -11.559   4.802
   63   2HG1  ILE   7          1HG1      ILE   7  -5.160 -10.863   5.529
   64   1HG2  ILE   7          1HG2      ILE   7  -5.603  -7.867   4.558
   65   2HG2  ILE   7          3HG2      ILE   7  -4.107  -8.827   4.591
   66   3HG2  ILE   7          2HG2      ILE   7  -4.677  -8.127   3.062
   67   1HD1  ILE   7          2HD1      ILE   7  -6.501  -8.913   6.316
   68   2HD1  ILE   7          1HD1      ILE   7  -7.957  -9.624   5.579
   69   3HD1  ILE   7          3HD1      ILE   7  -7.149 -10.449   6.929
   70    H    TRP   8           H        TRP   8  -6.185 -10.201   0.613
   71    HA   TRP   8           HA       TRP   8  -5.408  -7.720  -0.441
   72   1HB   TRP   8          2HB       TRP   8  -6.315 -10.276  -1.826
   73   2HB   TRP   8          1HB       TRP   8  -5.725  -8.865  -2.719
   74    HD1  TRP   8          1HD       TRP   8  -4.306 -12.012  -2.058
   75    HE1  TRP   8          1HE       TRP   8  -1.824 -12.006  -1.632
   76    HE3  TRP   8          3HE       TRP   8  -3.728  -7.038  -0.891
   77    HZ2  TRP   8          2HZ       TRP   8   0.145 -10.129  -0.901
   78    HZ3  TRP   8          3HZ       TRP   8  -1.489  -6.209  -0.322
   79    HH2  TRP   8          2HH       TRP   8   0.452  -7.741  -0.334
   80    H    GLU   9           H        GLU   9  -8.534  -9.348  -0.696
   81    HA   GLU   9           HA       GLU   9  -9.878  -7.422  -2.303
   82   1HB   GLU   9          2HB       GLU   9 -10.998  -9.306  -0.178
   83   2HB   GLU   9          1HB       GLU   9 -11.954  -8.423  -1.374
   84   1HG   GLU   9          2HG       GLU   9 -11.001  -9.656  -3.199
   85   2HG   GLU   9          1HG       GLU   9  -9.753 -10.376  -2.169
   86    H    THR  10           H        THR  10  -9.570  -7.775   1.200
   87    HA   THR  10           HA       THR  10 -11.328  -5.740   2.055
   88    HB   THR  10           HB       THR  10  -8.797  -6.821   3.374
   89    HG1  THR  10           HG1      THR  10 -10.416  -8.391   2.893
   90   1HG2  THR  10          1HG2      THR  10 -11.156  -5.370   4.656
   91   2HG2  THR  10          3HG2      THR  10  -9.804  -6.139   5.523
   92   3HG2  THR  10          2HG2      THR  10  -9.505  -4.727   4.483
   93    H    VAL  11           H        VAL  11  -7.860  -5.644   1.375
   94    HA   VAL  11           HA       VAL  11  -7.494  -2.927   2.223
   95    HB   VAL  11           HB       VAL  11  -5.247  -3.099   1.342
   96   1HG1  VAL  11          1HG1      VAL  11  -6.108  -5.518   2.962
   97   2HG1  VAL  11          3HG1      VAL  11  -4.438  -4.935   2.796
   98   3HG1  VAL  11          2HG1      VAL  11  -5.662  -3.915   3.582
   99   1HG2  VAL  11          2HG2      VAL  11  -6.016  -5.829   0.274
  100   2HG2  VAL  11          1HG2      VAL  11  -5.569  -4.402  -0.692
  101   3HG2  VAL  11          3HG2      VAL  11  -4.364  -5.180   0.357
  102    H    CYS  12           H        CYS  12  -8.132  -4.414  -0.863
  103    HA   CYS  12           HA       CYS  12  -7.398  -3.009  -2.907
  104   1HB   CYS  12          2HB       CYS  12 -10.199  -3.850  -2.227
  105   2HB   CYS  12          1HB       CYS  12  -9.921  -2.940  -3.705
  106    HA   PRO  13           HA       PRO  13 -10.191   0.871  -2.841
  107   1HB   PRO  13          2HB       PRO  13 -11.663   1.516  -0.611
  108   2HB   PRO  13          1HB       PRO  13 -12.266   0.411  -1.889
  109   1HG   PRO  13          1HG       PRO  13 -10.897  -0.312   0.742
  110   2HG   PRO  13          2HG       PRO  13 -12.439  -0.938   0.071
  111   1HD   PRO  13          1HD       PRO  13 -10.153  -2.332  -0.277
  112   2HD   PRO  13          2HD       PRO  13 -11.340  -2.192  -1.617
  113    H    THR  14           H        THR  14  -9.145   0.281   0.499
  114    HA   THR  14           HA       THR  14  -8.351   2.901   1.189
  115    HB   THR  14           HB       THR  14  -7.335   0.224   2.211
  116    HG1  THR  14           HG1      THR  14  -8.992   0.538   3.785
  117   1HG2  THR  14          1HG2      THR  14  -7.313   2.956   3.579
  118   2HG2  THR  14          3HG2      THR  14  -6.866   1.415   4.345
  119   3HG2  THR  14          2HG2      THR  14  -5.882   2.062   3.011
  120    H    VAL  15           H        VAL  15  -6.442   0.181  -0.052
  121    HA   VAL  15           HA       VAL  15  -3.936   1.559  -0.044
  122    HB   VAL  15           HB       VAL  15  -3.036  -0.316  -1.273
  123   1HG1  VAL  15          2HG1      VAL  15  -3.258  -0.505   1.143
  124   2HG1  VAL  15          1HG1      VAL  15  -4.904  -1.147   0.969
  125   3HG1  VAL  15          3HG1      VAL  15  -3.515  -2.094   0.381
  126   1HG2  VAL  15          2HG2      VAL  15  -5.879  -1.362  -1.522
  127   2HG2  VAL  15          1HG2      VAL  15  -4.836  -0.814  -2.851
  128   3HG2  VAL  15          3HG2      VAL  15  -4.405  -2.268  -1.920
  129    H    GLU  16           H        GLU  16  -6.459   1.242  -2.411
  130    HA   GLU  16           HA       GLU  16  -5.288   1.529  -4.850
  131   1HB   GLU  16          2HB       GLU  16  -7.691   1.263  -4.488
  132   2HB   GLU  16          1HB       GLU  16  -7.818   2.908  -3.873
  133   1HG   GLU  16          2HG       GLU  16  -6.960   2.221  -6.716
  134   2HG   GLU  16          1HG       GLU  16  -8.631   2.567  -6.245
  135    HA   PRO  17           HA       PRO  17  -5.360   6.417  -4.738
  136   1HB   PRO  17          2HB       PRO  17  -4.879   7.516  -2.212
  137   2HB   PRO  17          1HB       PRO  17  -6.498   7.349  -2.963
  138   1HG   PRO  17          1HG       PRO  17  -5.096   5.456  -1.026
  139   2HG   PRO  17          2HG       PRO  17  -6.769   6.108  -0.951
  140   1HD   PRO  17          1HD       PRO  17  -6.397   3.664  -1.941
  141   2HD   PRO  17          2HD       PRO  17  -7.481   4.788  -2.828
  142    H    TRP  18           H        TRP  18  -3.428   4.902  -2.153
  143    HA   TRP  18           HA       TRP  18  -1.020   6.340  -2.676
  144   1HB   TRP  18          2HB       TRP  18  -1.261   3.578  -1.409
  145   2HB   TRP  18          1HB       TRP  18   0.099   4.706  -1.255
  146    HD1  TRP  18          1HD       TRP  18  -1.295   7.466  -0.395
  147    HE1  TRP  18          1HE       TRP  18  -2.595   7.708   1.743
  148    HE3  TRP  18          3HE       TRP  18  -2.244   2.521   0.451
  149    HZ2  TRP  18          2HZ       TRP  18  -3.898   5.992   3.578
  150    HZ3  TRP  18          3HZ       TRP  18  -3.565   1.868   2.443
  151    HH2  TRP  18          2HH       TRP  18  -4.393   3.602   4.000
  152    H    ALA  19           H        ALA  19  -1.962   3.021  -3.518
  153    HA   ALA  19           HA       ALA  19   0.373   2.148  -4.747
  154   1HB   ALA  19          1HB       ALA  19  -2.510   1.373  -5.380
  155   2HB   ALA  19          3HB       ALA  19  -1.069   0.439  -5.847
  156   3HB   ALA  19          2HB       ALA  19  -1.473   0.650  -4.127
  157    H    LYS  20           H        LYS  20  -2.507   3.431  -6.395
  158    HA   LYS  20           HA       LYS  20  -1.468   3.552  -9.008
  159   1HB   LYS  20          2HB       LYS  20  -3.662   5.068  -7.582
  160   2HB   LYS  20          1HB       LYS  20  -3.211   5.492  -9.237
  161   1HG   LYS  20          2HG       LYS  20  -5.108   3.954  -9.252
  162   2HG   LYS  20          1HG       LYS  20  -3.693   3.196  -9.987
  163   1HD   LYS  20          2HD       LYS  20  -3.291   1.914  -7.888
  164   2HD   LYS  20          1HD       LYS  20  -4.717   2.675  -7.162
  165   1HE   LYS  20          2HE       LYS  20  -5.288   0.434  -7.944
  166   2HE   LYS  20          1HE       LYS  20  -6.148   1.642  -8.925
  167   1HZ   LYS  20          2HZ       LYS  20  -4.441   1.435 -10.600
  168   2HZ   LYS  20          1HZ       LYS  20  -3.623   0.276  -9.664
  169   3HZ   LYS  20          3HZ       LYS  20  -5.165  -0.069 -10.290
  170    H    LYS  21           H        LYS  21  -1.504   6.057  -6.488
  171    HA   LYS  21           HA       LYS  21   0.256   7.832  -8.022
  172   1HB   LYS  21          2HB       LYS  21  -0.790   8.019  -5.165
  173   2HB   LYS  21          1HB       LYS  21   0.070   9.298  -6.035
  174   1HG   LYS  21          2HG       LYS  21  -1.753   9.455  -7.676
  175   2HG   LYS  21          1HG       LYS  21  -2.616   8.125  -6.883
  176   1HD   LYS  21          2HD       LYS  21  -2.799   9.495  -4.807
  177   2HD   LYS  21          1HD       LYS  21  -1.972  10.829  -5.622
  178   1HE   LYS  21          2HE       LYS  21  -4.652   9.632  -6.474
  179   2HE   LYS  21          1HE       LYS  21  -4.437  11.155  -5.582
  180   1HZ   LYS  21          2HZ       LYS  21  -3.154  12.007  -7.423
  181   2HZ   LYS  21          1HZ       LYS  21  -3.361  10.552  -8.275
  182   3HZ   LYS  21          3HZ       LYS  21  -4.704  11.536  -7.936
  183    H    CYS  22           H        CYS  22   1.555   5.504  -7.814
  184    HA   CYS  22           HA       CYS  22   3.928   6.155  -6.246
  185   1HB   CYS  22          2HB       CYS  22   2.379   4.955  -4.638
  186   2HB   CYS  22          1HB       CYS  22   2.446   3.535  -5.697
  187    H    SER  23           H        SER  23   5.573   4.357  -6.510
  188    HA   SER  23           HA       SER  23   5.383   2.875  -9.060
  189   1HB   SER  23          2HB       SER  23   7.520   4.976  -8.433
  190   2HB   SER  23          1HB       SER  23   7.569   3.859  -9.816
  191    HG   SER  23           HG       SER  23   5.509   5.772  -9.296
  192    H    GLY  24           H        GLY  24   7.677   1.883  -9.446
  193   1HA   GLY  24          2HA       GLY  24   9.482   0.576  -8.671
  194   2HA   GLY  24          1HA       GLY  24   8.929   0.813  -7.006
  195    H    ASP  25           H        ASP  25   9.688  -1.560  -7.481
  196    HA   ASP  25           HA       ASP  25   8.066  -3.448  -8.802
  197   1HB   ASP  25          2HB       ASP  25   9.892  -3.835  -6.383
  198   2HB   ASP  25          1HB       ASP  25   9.285  -5.128  -7.435
  199    H    ILE  26           H        ILE  26   8.088  -2.431  -5.414
  200    HA   ILE  26           HA       ILE  26   6.211  -4.295  -4.405
  201    HB   ILE  26           HB       ILE  26   6.722  -1.474  -3.410
  202   1HG1  ILE  26          2HG1      ILE  26   8.862  -2.622  -3.618
  203   2HG1  ILE  26          1HG1      ILE  26   8.432  -2.389  -1.926
  204   1HG2  ILE  26          1HG2      ILE  26   5.662  -3.945  -1.974
  205   2HG2  ILE  26          3HG2      ILE  26   6.065  -2.405  -1.188
  206   3HG2  ILE  26          2HG2      ILE  26   4.747  -2.476  -2.376
  207   1HD1  ILE  26          2HD1      ILE  26   7.718  -4.775  -1.779
  208   2HD1  ILE  26          1HD1      ILE  26   8.151  -5.002  -3.492
  209   3HD1  ILE  26          3HD1      ILE  26   9.413  -4.628  -2.295
  210    H    ALA  27           H        ALA  27   5.757  -0.966  -5.572
  211    HA   ALA  27           HA       ALA  27   2.995  -0.674  -5.195
  212   1HB   ALA  27          2HB       ALA  27   4.465   1.180  -5.904
  213   2HB   ALA  27          1HB       ALA  27   4.713   0.398  -7.483
  214   3HB   ALA  27          3HB       ALA  27   3.102   0.999  -7.031
  215    H    THR  28           H        THR  28   4.739  -2.007  -7.967
  216    HA   THR  28           HA       THR  28   2.554  -2.614  -9.652
  217    HB   THR  28           HB       THR  28   5.240  -4.046  -9.404
  218    HG1  THR  28           HG1      THR  28   4.407  -1.831 -11.003
  219   1HG2  THR  28          1HG2      THR  28   3.311  -3.909 -11.767
  220   2HG2  THR  28          3HG2      THR  28   4.929  -4.649 -11.782
  221   3HG2  THR  28          2HG2      THR  28   3.641  -5.353 -10.780
  222    H    TYR  29           H        TYR  29   4.147  -4.547  -7.147
  223    HA   TYR  29           HA       TYR  29   2.788  -6.997  -7.573
  224   1HB   TYR  29          2HB       TYR  29   4.838  -6.909  -6.285
  225   2HB   TYR  29          1HB       TYR  29   4.105  -5.840  -5.086
  226    HD1  TYR  29          1HD       TYR  29   2.146  -6.756  -3.673
  227    HD2  TYR  29          2HD       TYR  29   4.736  -9.252  -6.022
  228    HE1  TYR  29          1HE       TYR  29   1.414  -8.725  -2.387
  229    HE2  TYR  29          2HE       TYR  29   4.006 -11.223  -4.721
  230    HH   TYR  29           HH       TYR  29   2.653 -11.996  -3.106
  231    H    ILE  30           H        ILE  30   2.165  -4.461  -5.163
  232    HA   ILE  30           HA       ILE  30  -0.089  -5.538  -3.908
  233    HB   ILE  30           HB       ILE  30   0.720  -2.651  -4.413
  234   1HG1  ILE  30          2HG1      ILE  30   1.061  -4.355  -1.920
  235   2HG1  ILE  30          1HG1      ILE  30   2.315  -4.169  -3.148
  236   1HG2  ILE  30          1HG2      ILE  30  -1.345  -3.695  -2.425
  237   2HG2  ILE  30          3HG2      ILE  30  -0.737  -2.025  -2.500
  238   3HG2  ILE  30          2HG2      ILE  30  -1.676  -2.685  -3.852
  239   1HD1  ILE  30          1HD1      ILE  30   1.117  -1.906  -1.482
  240   2HD1  ILE  30          3HD1      ILE  30   2.718  -2.647  -1.255
  241   3HD1  ILE  30          2HD1      ILE  30   2.371  -1.724  -2.733
  242    H    LYS  31           H        LYS  31   0.064  -3.314  -6.649
  243    HA   LYS  31           HA       LYS  31  -2.630  -2.994  -7.303
  244   1HB   LYS  31          2HB       LYS  31  -0.799  -1.759  -8.344
  245   2HB   LYS  31          1HB       LYS  31  -0.165  -3.219  -9.084
  246   1HG   LYS  31          2HG       LYS  31  -2.876  -2.005  -9.756
  247   2HG   LYS  31          1HG       LYS  31  -1.387  -1.634 -10.628
  248   1HD   LYS  31          2HD       LYS  31  -2.830  -4.324 -10.531
  249   2HD   LYS  31          1HD       LYS  31  -2.661  -3.235 -11.900
  250   1HE   LYS  31          2HE       LYS  31  -0.250  -3.644 -12.028
  251   2HE   LYS  31          1HE       LYS  31  -0.313  -4.662 -10.572
  252   1HZ   LYS  31          2HZ       LYS  31  -1.808  -6.143 -11.718
  253   2HZ   LYS  31          1HZ       LYS  31  -1.731  -5.183 -13.115
  254   3HZ   LYS  31          3HZ       LYS  31  -0.341  -5.986 -12.559
  255    H    ARG  32           H        ARG  32  -0.388  -5.538  -8.315
  256    HA   ARG  32           HA       ARG  32  -2.075  -7.006 -10.037
  257   1HB   ARG  32          2HB       ARG  32   0.434  -7.238  -9.774
  258   2HB   ARG  32          1HB       ARG  32   0.143  -8.117  -8.266
  259   1HG   ARG  32          2HG       ARG  32  -1.240  -9.781  -9.603
  260   2HG   ARG  32          1HG       ARG  32  -0.661  -8.962 -11.064
  261   1HD   ARG  32          2HD       ARG  32   0.725 -10.939 -10.617
  262   2HD   ARG  32          1HD       ARG  32   1.699  -9.465 -10.383
  263    HE   ARG  32           HE       ARG  32   0.505 -10.196  -7.907
  264   1HH1  ARG  32          2HH2      ARG  32   2.984 -11.274 -10.148
  265   2HH1  ARG  32          1HH2      ARG  32   3.917 -12.061  -8.917
  266   1HH2  ARG  32          2HH1      ARG  32   1.735 -11.231  -6.313
  267   2HH2  ARG  32          1HH1      ARG  32   3.209 -12.036  -6.742
  268    H    GLU  33           H        GLU  33  -1.608  -7.235  -6.526
  269    HA   GLU  33           HA       GLU  33  -2.904  -9.708  -6.066
  270   1HB   GLU  33          2HB       GLU  33  -2.923  -7.358  -4.126
  271   2HB   GLU  33          1HB       GLU  33  -3.037  -9.081  -3.754
  272   1HG   GLU  33          2HG       GLU  33  -0.598  -7.561  -4.725
  273   2HG   GLU  33          1HG       GLU  33  -0.830  -8.318  -3.157
  274    H    CYS  34           H        CYS  34  -4.169  -6.427  -5.557
  275    HA   CYS  34           HA       CYS  34  -6.865  -7.183  -5.042
  276   1HB   CYS  34          2HB       CYS  34  -5.997  -5.025  -4.299
  277   2HB   CYS  34          1HB       CYS  34  -5.665  -4.534  -5.972
  278    H    GLY  35           H        GLY  35  -5.436  -5.631  -7.892
  279   1HA   GLY  35          2HA       GLY  35  -7.748  -5.598  -9.517
  280   2HA   GLY  35          1HA       GLY  35  -6.086  -5.431 -10.099
  281    H    LYS  36           H        LYS  36  -4.839  -7.570 -10.111
  282    HA   LYS  36           HA       LYS  36  -6.421  -9.529 -11.634
  283   1HB   LYS  36          2HB       LYS  36  -4.160  -8.631 -12.396
  284   2HB   LYS  36          1HB       LYS  36  -3.428  -9.568 -11.084
  285   1HG   LYS  36          2HG       LYS  36  -4.507 -11.649 -12.077
  286   2HG   LYS  36          1HG       LYS  36  -5.050 -10.653 -13.433
  287   1HD   LYS  36          2HD       LYS  36  -3.061 -11.796 -14.137
  288   2HD   LYS  36          1HD       LYS  36  -2.632 -10.093 -13.905
  289   1HE   LYS  36          2HE       LYS  36  -1.692 -10.668 -11.650
  290   2HE   LYS  36          1HE       LYS  36  -2.067 -12.376 -11.954
  291   1HZ   LYS  36          1HZ       LYS  36  -0.294 -10.669 -13.603
  292   2HZ   LYS  36          3HZ       LYS  36   0.211 -11.852 -12.495
  293   3HZ   LYS  36          2HZ       LYS  36  -0.651 -12.305 -13.888
  294    H    LEU  37           H        LEU  37  -7.441  -9.739  -9.307
  295    HA   LEU  37           HA       LEU  37  -6.201 -11.629  -7.519
  296   1HB   LEU  37          2HB       LEU  37  -7.978  -9.954  -6.908
  297   2HB   LEU  37          1HB       LEU  37  -9.150 -10.919  -7.806
  298    HG   LEU  37           HG       LEU  37  -7.551 -11.901  -5.411
  299   1HD1  LEU  37          1HD1      LEU  37 -10.435 -10.933  -5.538
  300   2HD1  LEU  37          3HD1      LEU  37  -9.663 -11.695  -4.128
  301   3HD1  LEU  37          2HD1      LEU  37  -9.076 -10.124  -4.721
  302   1HD2  LEU  37          2HD2      LEU  37  -9.916 -13.193  -6.829
  303   2HD2  LEU  37          1HD2      LEU  37  -8.243 -13.805  -6.780
  304   3HD2  LEU  37          3HD2      LEU  37  -9.207 -13.750  -5.300
  305   1H    TRP   1          1H        TRP   1  -6.269  -3.728   8.880
  306   2H    TRP   1          3H        TRP   1  -5.700  -2.607   7.740
  307   3H    TRP   1          2H        TRP   1  -5.157  -2.536   9.349
  308    HA   TRP   1           HA       TRP   1  -6.758  -0.804   8.959
  309   1HB   TRP   1          2HB       TRP   1  -8.637  -3.129   8.309
  310   2HB   TRP   1          1HB       TRP   1  -9.076  -1.416   8.377
  311    HD1  TRP   1          1HD       TRP   1  -9.752  -2.826   5.702
  312    HE1  TRP   1          1HE       TRP   1  -8.599  -2.378   3.515
  313    HE3  TRP   1          3HE       TRP   1  -5.431  -0.681   7.514
  314    HZ2  TRP   1          2HZ       TRP   1  -6.124  -1.331   2.657
  315    HZ3  TRP   1          3HZ       TRP   1  -3.718   0.042   5.919
  316    HH2  TRP   1          2HH       TRP   1  -4.057  -0.274   3.489
  317    H    SER   2           H        SER   2  -8.015  -3.936  10.064
  318    HA   SER   2           HA       SER   2  -8.841  -3.080  12.676
  319   1HB   SER   2          2HB       SER   2  -9.667  -5.113  11.368
  320   2HB   SER   2          1HB       SER   2  -8.110  -5.892  11.719
  321    HG   SER   2           HG       SER   2  -9.751  -6.445  13.262
  322    H    THR   3           H        THR   3  -7.840  -4.600  14.574
  323    HA   THR   3           HA       THR   3  -5.294  -3.647  15.269
  324    HB   THR   3           HB       THR   3  -6.698  -6.199  16.187
  325    HG1  THR   3           HG1      THR   3  -6.707  -3.536  17.217
  326   1HG2  THR   3          1HG2      THR   3  -4.504  -4.592  17.581
  327   2HG2  THR   3          3HG2      THR   3  -5.384  -5.976  18.272
  328   3HG2  THR   3          2HG2      THR   3  -4.310  -6.215  16.874
  329    H    ILE   4           H        ILE   4  -6.155  -6.913  14.161
  330    HA   ILE   4           HA       ILE   4  -3.445  -7.800  13.782
  331    HB   ILE   4           HB       ILE   4  -6.083  -8.925  12.760
  332   1HG1  ILE   4          2HG1      ILE   4  -4.440  -9.692  15.205
  333   2HG1  ILE   4          1HG1      ILE   4  -5.945  -8.763  15.231
  334   1HG2  ILE   4          2HG2      ILE   4  -4.218  -9.791  11.413
  335   2HG2  ILE   4          1HG2      ILE   4  -3.342 -10.257  12.891
  336   3HG2  ILE   4          3HG2      ILE   4  -4.865 -11.069  12.458
  337   1HD1  ILE   4          2HD1      ILE   4  -7.170 -10.711  14.288
  338   2HD1  ILE   4          1HD1      ILE   4  -5.660 -11.656  14.288
  339   3HD1  ILE   4          3HD1      ILE   4  -6.367 -11.113  15.823
  340    H    VAL   5           H        VAL   5  -6.040  -6.872  11.550
  341    HA   VAL   5           HA       VAL   5  -4.788  -7.453   9.116
  342    HB   VAL   5           HB       VAL   5  -6.827  -5.284   9.710
  343   1HG1  VAL   5          2HG1      VAL   5  -5.837  -4.938   7.479
  344   2HG1  VAL   5          1HG1      VAL   5  -6.165  -6.632   7.058
  345   3HG1  VAL   5          3HG1      VAL   5  -7.515  -5.507   7.339
  346   1HG2  VAL   5          1HG2      VAL   5  -7.614  -7.486  10.470
  347   2HG2  VAL   5          3HG2      VAL   5  -8.523  -6.960   9.036
  348   3HG2  VAL   5          2HG2      VAL   5  -7.243  -8.184   8.878
  349    H    LYS   6           H        LYS   6  -4.750  -4.422  10.942
  350    HA   LYS   6           HA       LYS   6  -3.393  -2.751   9.134
  351   1HB   LYS   6          2HB       LYS   6  -4.458  -1.966  11.211
  352   2HB   LYS   6          1HB       LYS   6  -3.228  -2.804  12.175
  353   1HG   LYS   6          2HG       LYS   6  -1.485  -1.316  11.090
  354   2HG   LYS   6          1HG       LYS   6  -2.800  -0.449  10.282
  355   1HD   LYS   6          2HD       LYS   6  -2.128   0.798  12.262
  356   2HD   LYS   6          1HD       LYS   6  -3.753   0.151  12.504
  357   1HE   LYS   6          2HE       LYS   6  -2.362  -0.080  14.548
  358   2HE   LYS   6          1HE       LYS   6  -2.853  -1.669  13.922
  359   1HZ   LYS   6          2HZ       LYS   6  -0.711  -1.849  12.841
  360   2HZ   LYS   6          1HZ       LYS   6  -0.245  -0.336  13.457
  361   3HZ   LYS   6          3HZ       LYS   6  -0.531  -1.633  14.515
  362    H    LEU   7           H        LEU   7  -2.064  -4.817  11.693
  363    HA   LEU   7           HA       LEU   7   0.688  -4.305  11.273
  364   1HB   LEU   7          2HB       LEU   7  -0.667  -6.829  12.321
  365   2HB   LEU   7          1HB       LEU   7   1.048  -6.441  12.494
  366    HG   LEU   7           HG       LEU   7  -1.237  -4.782  13.625
  367   1HD1  LEU   7          2HD1      LEU   7  -1.107  -6.938  14.774
  368   2HD1  LEU   7          1HD1      LEU   7   0.637  -6.711  15.050
  369   3HD1  LEU   7          3HD1      LEU   7  -0.538  -5.636  15.842
  370   1HD2  LEU   7          2HD2      LEU   7   1.763  -4.522  14.062
  371   2HD2  LEU   7          1HD2      LEU   7   0.723  -3.389  13.166
  372   3HD2  LEU   7          3HD2      LEU   7   0.507  -3.596  14.917
  373    H    THR   8           H        THR   8  -1.483  -6.636   9.770
  374    HA   THR   8           HA       THR   8   0.436  -8.176   8.347
  375    HB   THR   8           HB       THR   8  -2.474  -7.578   7.645
  376    HG1  THR   8           HG1      THR   8  -2.152  -8.514   9.731
  377   1HG2  THR   8          1HG2      THR   8  -0.705  -9.902   6.771
  378   2HG2  THR   8          3HG2      THR   8  -2.444  -9.730   6.439
  379   3HG2  THR   8          2HG2      THR   8  -1.288  -8.584   5.728
  380    H    ILE   9           H        ILE   9  -1.496  -5.367   7.383
  381    HA   ILE   9           HA       ILE   9  -0.369  -5.240   4.720
  382    HB   ILE   9           HB       ILE   9  -2.717  -4.668   5.210
  383   1HG1  ILE   9          2HG1      ILE   9  -2.912  -2.622   3.866
  384   2HG1  ILE   9          1HG1      ILE   9  -1.188  -2.302   4.085
  385   1HG2  ILE   9          2HG2      ILE   9  -2.482  -3.577   7.384
  386   2HG2  ILE   9          1HG2      ILE   9  -1.613  -2.219   6.641
  387   3HG2  ILE   9          3HG2      ILE   9  -3.323  -2.512   6.243
  388   1HD1  ILE   9          1HD1      ILE   9  -2.381  -4.717   2.636
  389   2HD1  ILE   9          3HD1      ILE   9  -1.653  -3.290   1.861
  390   3HD1  ILE   9          2HD1      ILE   9  -0.645  -4.387   2.831
  391    H    CYS  10           H        CYS  10   0.524  -3.949   7.763
  392    HA   CYS  10           HA       CYS  10   1.692  -1.492   7.291
  393   1HB   CYS  10          2HB       CYS  10   2.349  -3.763   9.140
  394   2HB   CYS  10          1HB       CYS  10   3.525  -2.462   8.987
  395    HA   PRO  11           HA       PRO  11   5.994  -3.363   6.097
  396   1HB   PRO  11          2HB       PRO  11   6.071  -5.977   5.192
  397   2HB   PRO  11          1HB       PRO  11   6.307  -5.516   6.909
  398   1HG   PRO  11          1HG       PRO  11   3.742  -6.416   5.520
  399   2HG   PRO  11          2HG       PRO  11   4.471  -7.033   7.041
  400   1HD   PRO  11          1HD       PRO  11   2.507  -5.208   7.165
  401   2HD   PRO  11          2HD       PRO  11   3.934  -5.038   8.243
  402    H    THR  12           H        THR  12   3.260  -4.742   4.346
  403    HA   THR  12           HA       THR  12   4.274  -4.820   1.726
  404    HB   THR  12           HB       THR  12   1.435  -4.295   2.710
  405    HG1  THR  12           HG1      THR  12   2.805  -6.708   2.040
  406   1HG2  THR  12          1HG2      THR  12   2.351  -5.361   0.002
  407   2HG2  THR  12          3HG2      THR  12   0.667  -5.270   0.572
  408   3HG2  THR  12          2HG2      THR  12   1.592  -3.777   0.303
  409    H    LEU  13           H        LEU  13   2.250  -2.281   3.194
  410    HA   LEU  13           HA       LEU  13   2.454  -0.481   0.978
  411   1HB   LEU  13          2HB       LEU  13   1.596   0.067   3.846
  412   2HB   LEU  13          1HB       LEU  13   1.379   1.161   2.468
  413    HG   LEU  13           HG       LEU  13   0.135  -1.587   2.749
  414   1HD1  LEU  13          1HD1      LEU  13  -1.112   1.188   2.962
  415   2HD1  LEU  13          3HD1      LEU  13  -2.010  -0.348   2.977
  416   3HD1  LEU  13          2HD1      LEU  13  -0.877   0.030   4.292
  417   1HD2  LEU  13          2HD2      LEU  13  -0.257   0.494   0.560
  418   2HD2  LEU  13          1HD2      LEU  13   0.553  -1.083   0.388
  419   3HD2  LEU  13          3HD2      LEU  13  -1.184  -1.014   0.737
  420    H    LYS  14           H        LYS  14   4.206  -0.701   4.034
  421    HA   LYS  14           HA       LYS  14   5.650   1.718   3.964
  422   1HB   LYS  14          2HB       LYS  14   6.366  -1.035   5.045
  423   2HB   LYS  14          1HB       LYS  14   7.406   0.375   5.270
  424   1HG   LYS  14          2HG       LYS  14   4.494   0.396   6.129
  425   2HG   LYS  14          1HG       LYS  14   5.771  -0.238   7.180
  426   1HD   LYS  14          2HD       LYS  14   6.895   1.979   7.111
  427   2HD   LYS  14          1HD       LYS  14   5.615   2.595   6.048
  428   1HE   LYS  14          2HE       LYS  14   3.937   2.300   7.797
  429   2HE   LYS  14          1HE       LYS  14   5.121   1.503   8.860
  430   1HZ   LYS  14          1HZ       LYS  14   5.286   4.289   7.862
  431   2HZ   LYS  14          3HZ       LYS  14   4.808   3.822   9.424
  432   3HZ   LYS  14          2HZ       LYS  14   6.396   3.529   8.896
  433    H    SER  15           H        SER  15   6.511  -1.449   2.632
  434    HA   SER  15           HA       SER  15   8.978  -0.765   1.427
  435   1HB   SER  15          2HB       SER  15   6.931  -2.896   0.662
  436   2HB   SER  15          1HB       SER  15   8.586  -2.800   0.014
  437    HG   SER  15           HG       SER  15   7.924  -3.016   2.784
  438    H    MET  16           H        MET  16   5.667  -0.586   0.215
  439    HA   MET  16           HA       MET  16   6.229   0.238  -2.455
  440   1HB   MET  16          2HB       MET  16   4.020  -0.618  -1.612
  441   2HB   MET  16          1HB       MET  16   3.797   0.905  -0.740
  442   1HG   MET  16          2HG       MET  16   3.811   2.160  -2.837
  443   2HG   MET  16          1HG       MET  16   4.143   0.684  -3.757
  444   1HE   MET  16          2HE       MET  16   1.664   1.360  -0.699
  445   2HE   MET  16          1HE       MET  16   1.520   2.796  -1.746
  446   3HE   MET  16          3HE       MET  16   0.151   1.669  -1.583
  447    H    ALA  17           H        ALA  17   5.767   2.002   0.535
  448    HA   ALA  17           HA       ALA  17   5.498   4.650  -0.397
  449   1HB   ALA  17          2HB       ALA  17   4.934   3.966   1.897
  450   2HB   ALA  17          1HB       ALA  17   6.645   3.625   2.237
  451   3HB   ALA  17          3HB       ALA  17   6.122   5.287   1.920
  452    H    LYS  18           H        LYS  18   8.314   2.670   0.117
  453    HA   LYS  18           HA       LYS  18  10.449   4.375   0.342
  454   1HB   LYS  18          2HB       LYS  18  10.247   1.928  -1.464
  455   2HB   LYS  18          1HB       LYS  18  11.758   2.690  -0.966
  456   1HG   LYS  18          2HG       LYS  18   9.720   1.405   0.904
  457   2HG   LYS  18          1HG       LYS  18  11.242   0.673   0.384
  458   1HD   LYS  18          2HD       LYS  18  10.933   3.189   2.086
  459   2HD   LYS  18          1HD       LYS  18  11.419   1.590   2.662
  460   1HE   LYS  18          2HE       LYS  18  13.006   3.333   0.714
  461   2HE   LYS  18          1HE       LYS  18  13.376   3.078   2.433
  462   1HZ   LYS  18          1HZ       LYS  18  13.277   0.973   0.352
  463   2HZ   LYS  18          3HZ       LYS  18  14.687   1.650   1.018
  464   3HZ   LYS  18          2HZ       LYS  18  13.641   0.736   1.993
  465    H    LYS  19           H        LYS  19   8.668   3.681  -2.643
  466    HA   LYS  19           HA       LYS  19   9.828   6.127  -3.849
  467   1HB   LYS  19          2HB       LYS  19  11.149   4.117  -4.598
  468   2HB   LYS  19          1HB       LYS  19   9.671   3.457  -5.315
  469   1HG   LYS  19          2HG       LYS  19   9.526   5.432  -6.829
  470   2HG   LYS  19          1HG       LYS  19  10.986   6.100  -6.092
  471   1HD   LYS  19          2HD       LYS  19  10.815   3.472  -7.631
  472   2HD   LYS  19          1HD       LYS  19  11.428   4.999  -8.278
  473   1HE   LYS  19          2HE       LYS  19  12.667   3.416  -5.975
  474   2HE   LYS  19          1HE       LYS  19  13.287   3.509  -7.636
  475   1HZ   LYS  19          1HZ       LYS  19  12.955   5.794  -5.782
  476   2HZ   LYS  19          3HZ       LYS  19  14.424   5.035  -6.173
  477   3HZ   LYS  19          2HZ       LYS  19  13.557   5.875  -7.369
  478    H    CYS  20           H        CYS  20   7.460   6.269  -2.777
  479    HA   CYS  20           HA       CYS  20   5.509   6.110  -4.995
  480   1HB   CYS  20          2HB       CYS  20   5.159   6.951  -2.097
  481   2HB   CYS  20          1HB       CYS  20   3.881   7.017  -3.321
  482    H    GLU  21           H        GLU  21   4.084   8.008  -5.277
  483    HA   GLU  21           HA       GLU  21   5.851  10.236  -6.056
  484   1HB   GLU  21          2HB       GLU  21   2.927   9.927  -6.800
  485   2HB   GLU  21          1HB       GLU  21   4.200  10.794  -7.666
  486   1HG   GLU  21          2HG       GLU  21   3.720   7.797  -7.522
  487   2HG   GLU  21          1HG       GLU  21   3.770   8.834  -8.952
  488    H    GLY  22           H        GLY  22   5.193  12.405  -5.854
  489   1HA   GLY  22          2HA       GLY  22   4.553  14.303  -4.718
  490   2HA   GLY  22          1HA       GLY  22   3.035  13.456  -4.390
  491    H    SER  23           H        SER  23   2.644  12.682  -2.421
  492    HA   SER  23           HA       SER  23   4.735  12.347  -0.382
  493   1HB   SER  23          2HB       SER  23   2.388  14.279  -0.009
  494   2HB   SER  23          1HB       SER  23   3.517  13.780   1.269
  495    HG   SER  23           HG       SER  23   5.219  14.687  -0.056
  496    H    ILE  24           H        ILE  24   3.202  10.550  -1.765
  497    HA   ILE  24           HA       ILE  24   0.912   9.592  -0.313
  498    HB   ILE  24           HB       ILE  24   2.729   8.529  -2.469
  499   1HG1  ILE  24          2HG1      ILE  24   1.174  10.240  -3.156
  500   2HG1  ILE  24          1HG1      ILE  24   0.761   8.697  -3.903
  501   1HG2  ILE  24          1HG2      ILE  24   0.453   6.938  -1.269
  502   2HG2  ILE  24          3HG2      ILE  24   1.282   6.556  -2.797
  503   3HG2  ILE  24          2HG2      ILE  24   2.177   6.515  -1.263
  504   1HD1  ILE  24          1HD1      ILE  24  -0.676   9.947  -1.521
  505   2HD1  ILE  24          3HD1      ILE  24  -1.259   9.901  -3.197
  506   3HD1  ILE  24          2HD1      ILE  24  -1.089   8.391  -2.282
  507    H    ALA  25           H        ALA  25   4.319   8.718  -0.421
  508    HA   ALA  25           HA       ALA  25   4.499   6.546   1.277
  509   1HB   ALA  25          2HB       ALA  25   6.416   7.569   0.091
  510   2HB   ALA  25          1HB       ALA  25   6.340   8.985   1.163
  511   3HB   ALA  25          3HB       ALA  25   6.779   7.393   1.826
  512    H    THR  26           H        THR  26   4.283   9.961   2.160
  513    HA   THR  26           HA       THR  26   4.560   9.771   4.964
  514    HB   THR  26           HB       THR  26   2.903  11.761   3.348
  515    HG1  THR  26           HG1      THR  26   5.642  11.801   4.158
  516   1HG2  THR  26          1HG2      THR  26   4.158  12.048   6.117
  517   2HG2  THR  26          3HG2      THR  26   3.324  13.332   5.211
  518   3HG2  THR  26          2HG2      THR  26   2.417  11.913   5.777
  519    H    MET  27           H        MET  27   1.613   9.855   2.972
  520    HA   MET  27           HA       MET  27  -0.349   9.689   4.963
  521   1HB   MET  27          2HB       MET  27  -0.418   8.407   2.193
  522   2HB   MET  27          1HB       MET  27  -1.820   8.757   3.213
  523   1HG   MET  27          2HG       MET  27  -1.360  11.175   3.054
  524   2HG   MET  27          1HG       MET  27   0.081  10.848   2.072
  525   1HE   MET  27          2HE       MET  27  -2.084  12.876   1.100
  526   2HE   MET  27          1HE       MET  27  -0.664  12.409   0.133
  527   3HE   MET  27          3HE       MET  27  -2.285  12.392  -0.601
  528    H    ILE  28           H        ILE  28   1.083   7.057   3.096
  529    HA   ILE  28           HA       ILE  28  -0.052   4.797   4.226
  530    HB   ILE  28           HB       ILE  28   2.757   5.314   3.193
  531   1HG1  ILE  28          2HG1      ILE  28   0.423   3.946   1.821
  532   2HG1  ILE  28          1HG1      ILE  28   0.863   5.641   1.587
  533   1HG2  ILE  28          1HG2      ILE  28   1.503   2.620   3.820
  534   2HG2  ILE  28          3HG2      ILE  28   3.021   2.860   2.916
  535   3HG2  ILE  28          2HG2      ILE  28   2.916   3.347   4.615
  536   1HD1  ILE  28          2HD1      ILE  28   3.096   4.934   0.721
  537   2HD1  ILE  28          1HD1      ILE  28   2.625   3.230   0.924
  538   3HD1  ILE  28          3HD1      ILE  28   1.766   4.259  -0.241
  539    H    LYS  29           H        LYS  29   2.755   6.624   5.348
  540    HA   LYS  29           HA       LYS  29   3.790   4.901   7.279
  541   1HB   LYS  29          2HB       LYS  29   4.674   7.170   6.349
  542   2HB   LYS  29          1HB       LYS  29   3.724   7.923   7.626
  543   1HG   LYS  29          2HG       LYS  29   6.009   5.951   8.000
  544   2HG   LYS  29          1HG       LYS  29   6.079   7.687   8.259
  545   1HD   LYS  29          2HD       LYS  29   4.435   5.722   9.910
  546   2HD   LYS  29          1HD       LYS  29   5.972   6.440  10.377
  547   1HE   LYS  29          2HE       LYS  29   3.367   7.973   9.939
  548   2HE   LYS  29          1HE       LYS  29   4.119   7.582  11.499
  549   1HZ   LYS  29          2HZ       LYS  29   6.034   8.860  10.876
  550   2HZ   LYS  29          1HZ       LYS  29   5.339   9.233   9.371
  551   3HZ   LYS  29          3HZ       LYS  29   4.630   9.814  10.804
  552    H    LYS  30           H        LYS  30   1.559   7.620   7.792
  553    HA   LYS  30           HA       LYS  30   1.059   7.346  10.515
  554   1HB   LYS  30          2HB       LYS  30  -0.616   8.469   8.269
  555   2HB   LYS  30          1HB       LYS  30  -1.221   8.439   9.929
  556   1HG   LYS  30          2HG       LYS  30  -0.265  10.602   9.576
  557   2HG   LYS  30          1HG       LYS  30   0.832   9.714  10.640
  558   1HD   LYS  30          2HD       LYS  30   2.314   9.237   8.677
  559   2HD   LYS  30          1HD       LYS  30   1.215  10.191   7.663
  560   1HE   LYS  30          2HE       LYS  30   3.187  11.517   8.331
  561   2HE   LYS  30          1HE       LYS  30   1.699  12.206   9.016
  562   1HZ   LYS  30          1HZ       LYS  30   3.596  10.412  10.420
  563   2HZ   LYS  30          3HZ       LYS  30   3.460  12.093  10.644
  564   3HZ   LYS  30          2HZ       LYS  30   2.178  11.068  11.079
  565    H    LYS  31           H        LYS  31  -0.622   5.760   7.835
  566    HA   LYS  31           HA       LYS  31  -2.810   4.686   9.234
  567   1HB   LYS  31          2HB       LYS  31  -1.360   3.452   6.856
  568   2HB   LYS  31          1HB       LYS  31  -2.986   3.035   7.411
  569   1HG   LYS  31          2HG       LYS  31  -2.081   5.707   6.279
  570   2HG   LYS  31          1HG       LYS  31  -3.122   4.521   5.490
  571   1HD   LYS  31          2HD       LYS  31  -4.851   4.877   7.250
  572   2HD   LYS  31          1HD       LYS  31  -3.814   6.097   8.008
  573   1HE   LYS  31          2HE       LYS  31  -5.043   6.269   5.219
  574   2HE   LYS  31          1HE       LYS  31  -5.541   7.187   6.655
  575   1HZ   LYS  31          1HZ       LYS  31  -2.872   7.311   5.372
  576   2HZ   LYS  31          3HZ       LYS  31  -4.100   8.478   5.234
  577   3HZ   LYS  31          2HZ       LYS  31  -3.366   8.189   6.738
  578    H    CYS  32           H        CYS  32   0.315   3.110   8.535
  579    HA   CYS  32           HA       CYS  32  -0.168   0.742  10.042
  580   1HB   CYS  32          2HB       CYS  32   1.652   0.913   8.386
  581   2HB   CYS  32          1HB       CYS  32   2.467   2.127   9.388
  582    H    ASP  33           H        ASP  33   1.879   3.532  10.890
  583    HA   ASP  33           HA       ASP  33   0.704   3.635  13.597
  584   1HB   ASP  33          2HB       ASP  33   3.721   3.512  13.089
  585   2HB   ASP  33          1HB       ASP  33   2.965   3.912  14.640
  586    H    LYS  34           H        LYS  34   0.750   5.660  14.499
  587    HA   LYS  34           HA       LYS  34   0.454   7.785  12.661
  588   1HB   LYS  34          2HB       LYS  34  -0.667   7.480  14.931
  589   2HB   LYS  34          1HB       LYS  34   0.854   7.951  15.687
  590   1HG   LYS  34          2HG       LYS  34  -0.292   9.941  15.760
  591   2HG   LYS  34          1HG       LYS  34   0.593  10.152  14.254
  592   1HD   LYS  34          2HD       LYS  34  -2.341   9.420  14.579
  593   2HD   LYS  34          1HD       LYS  34  -1.679  10.943  13.986
  594   1HE   LYS  34          2HE       LYS  34  -2.431   9.873  12.033
  595   2HE   LYS  34          1HE       LYS  34  -0.685   9.544  12.037
  596   1HZ   LYS  34          2HZ       LYS  34  -1.148   7.399  13.044
  597   2HZ   LYS  34          1HZ       LYS  34  -2.811   7.721  13.003
  598   3HZ   LYS  34          3HZ       LYS  34  -1.941   7.567  11.552
   
  No H/Q in entry =         598
  Start of MODEL          12
 Raw file had  604 H/Q atoms
  Start of MODEL   12
    1   1H    GLY   1          2H        GLY   1   2.495 -18.553   1.197
    2   2H    GLY   1          1H        GLY   1   0.972 -17.900   0.829
    3   3H    GLY   1          3H        GLY   1   1.845 -18.741  -0.360
    4   1HA   GLY   1          2HA       GLY   1   3.552 -17.067  -0.360
    5   2HA   GLY   1          1HA       GLY   1   1.960 -16.384  -0.743
    6    H    VAL   2           H        VAL   2   3.532 -14.549  -0.069
    7    HA   VAL   2           HA       VAL   2   4.062 -13.991   2.658
    8    HB   VAL   2           HB       VAL   2   5.173 -12.867   0.799
    9   1HG1  VAL   2          2HG1      VAL   2   3.344 -12.560  -0.790
   10   2HG1  VAL   2          1HG1      VAL   2   2.572 -11.370   0.286
   11   3HG1  VAL   2          3HG1      VAL   2   4.147 -11.011  -0.450
   12   1HG2  VAL   2          1HG2      VAL   2   5.277 -11.817   2.982
   13   2HG2  VAL   2          3HG2      VAL   2   5.207 -10.569   1.717
   14   3HG2  VAL   2          2HG2      VAL   2   3.759 -10.944   2.679
   15    H    ILE   3           H        ILE   3   1.353 -13.043   0.591
   16    HA   ILE   3           HA       ILE   3  -0.373 -12.738   2.975
   17    HB   ILE   3           HB       ILE   3  -0.101 -10.711   0.721
   18   1HG1  ILE   3          2HG1      ILE   3   0.478 -10.431   3.694
   19   2HG1  ILE   3          1HG1      ILE   3   1.678 -10.505   2.397
   20   1HG2  ILE   3          2HG2      ILE   3  -2.468 -10.965   1.330
   21   2HG2  ILE   3          1HG2      ILE   3  -2.068 -10.731   3.045
   22   3HG2  ILE   3          3HG2      ILE   3  -1.861  -9.396   1.886
   23   1HD1  ILE   3          2HD1      ILE   3   0.836  -8.370   1.466
   24   2HD1  ILE   3          1HD1      ILE   3  -0.371  -8.276   2.770
   25   3HD1  ILE   3          3HD1      ILE   3   1.359  -8.190   3.154
   26    HA   PRO   4           HA       PRO   4  -2.855 -15.158   0.095
   27   1HB   PRO   4          2HB       PRO   4  -4.981 -15.674   1.696
   28   2HB   PRO   4          1HB       PRO   4  -3.362 -16.351   2.077
   29   1HG   PRO   4          1HG       PRO   4  -4.667 -13.821   3.170
   30   2HG   PRO   4          2HG       PRO   4  -3.938 -15.179   4.088
   31   1HD   PRO   4          1HD       PRO   4  -2.513 -12.911   3.518
   32   2HD   PRO   4          2HD       PRO   4  -1.730 -14.528   3.545
   33    H    LYS   5           H        LYS   5  -5.118 -15.183  -0.704
   34    HA   LYS   5           HA       LYS   5  -5.672 -12.899  -2.169
   35   1HB   LYS   5          2HB       LYS   5  -6.451 -15.161  -2.748
   36   2HB   LYS   5          1HB       LYS   5  -7.548 -15.162  -1.361
   37   1HG   LYS   5          2HG       LYS   5  -8.759 -13.198  -2.400
   38   2HG   LYS   5          1HG       LYS   5  -7.713 -13.361  -3.819
   39   1HD   LYS   5          2HD       LYS   5  -9.864 -14.442  -4.245
   40   2HD   LYS   5          1HD       LYS   5  -8.587 -15.664  -4.184
   41   1HE   LYS   5          2HE       LYS   5 -10.643 -16.408  -2.999
   42   2HE   LYS   5          1HE       LYS   5  -9.265 -16.290  -1.885
   43   1HZ   LYS   5          2HZ       LYS   5 -10.054 -14.118  -1.216
   44   2HZ   LYS   5          1HZ       LYS   5 -11.374 -14.243  -2.278
   45   3HZ   LYS   5          3HZ       LYS   5 -11.244 -15.302  -0.956
   46    H    LYS   6           H        LYS   6  -7.565 -14.096   0.596
   47    HA   LYS   6           HA       LYS   6  -9.616 -12.289   0.649
   48   1HB   LYS   6          2HB       LYS   6  -9.532 -14.257   2.083
   49   2HB   LYS   6          1HB       LYS   6  -8.163 -13.600   2.980
   50   1HG   LYS   6          2HG       LYS   6 -10.050 -13.367   4.387
   51   2HG   LYS   6          1HG       LYS   6  -9.681 -11.749   3.803
   52   1HD   LYS   6          2HD       LYS   6 -11.872 -13.512   2.638
   53   2HD   LYS   6          1HD       LYS   6 -12.135 -12.346   3.936
   54   1HE   LYS   6          2HE       LYS   6 -11.375 -10.509   2.361
   55   2HE   LYS   6          1HE       LYS   6 -11.331 -11.723   1.058
   56   1HZ   LYS   6          2HZ       LYS   6 -13.627 -12.214   1.460
   57   2HZ   LYS   6          1HZ       LYS   6 -13.692 -11.049   2.694
   58   3HZ   LYS   6          3HZ       LYS   6 -13.411 -10.569   1.089
   59    H    ILE   7           H        ILE   7  -6.504 -11.926   2.302
   60    HA   ILE   7           HA       ILE   7  -6.943  -9.522   3.673
   61    HB   ILE   7           HB       ILE   7  -4.387 -10.568   2.420
   62   1HG1  ILE   7          2HG1      ILE   7  -5.389 -12.181   3.962
   63   2HG1  ILE   7          1HG1      ILE   7  -3.858 -11.547   4.582
   64   1HG2  ILE   7          1HG2      ILE   7  -4.717  -8.460   4.590
   65   2HG2  ILE   7          3HG2      ILE   7  -3.174  -9.199   4.110
   66   3HG2  ILE   7          2HG2      ILE   7  -4.082  -8.208   2.950
   67   1HD1  ILE   7          1HD1      ILE   7  -6.646 -10.682   5.493
   68   2HD1  ILE   7          3HD1      ILE   7  -5.541 -11.761   6.375
   69   3HD1  ILE   7          2HD1      ILE   7  -5.103 -10.058   6.130
   70    H    TRP   8           H        TRP   8  -5.649  -9.979   0.379
   71    HA   TRP   8           HA       TRP   8  -5.096  -7.289  -0.207
   72   1HB   TRP   8          2HB       TRP   8  -5.862  -9.539  -2.100
   73   2HB   TRP   8          1HB       TRP   8  -5.270  -7.945  -2.621
   74    HD1  TRP   8          1HD       TRP   8  -3.936 -11.346  -1.515
   75    HE1  TRP   8          1HE       TRP   8  -1.450 -11.262  -1.065
   76    HE3  TRP   8          3HE       TRP   8  -3.331  -6.274  -1.649
   77    HZ2  TRP   8          2HZ       TRP   8   0.539  -9.260  -0.808
   78    HZ3  TRP   8          3HZ       TRP   8  -1.070  -5.323  -1.333
   79    HH2  TRP   8          2HH       TRP   8   0.859  -6.812  -0.920
   80    H    GLU   9           H        GLU   9  -8.075  -9.107  -0.911
   81    HA   GLU   9           HA       GLU   9  -9.498  -6.953  -2.078
   82   1HB   GLU   9          2HB       GLU   9 -10.306  -9.588  -0.884
   83   2HB   GLU   9          1HB       GLU   9 -11.555  -8.387  -1.253
   84   1HG   GLU   9          2HG       GLU   9 -11.210  -9.961  -3.145
   85   2HG   GLU   9          1HG       GLU   9 -10.839  -8.291  -3.603
   86    H    THR  10           H        THR  10  -9.184  -7.916   1.295
   87    HA   THR  10           HA       THR  10 -11.147  -6.161   2.391
   88    HB   THR  10           HB       THR  10  -8.593  -7.271   3.638
   89    HG1  THR  10           HG1      THR  10 -10.163  -8.821   2.881
   90   1HG2  THR  10          1HG2      THR  10 -11.072  -6.118   5.004
   91   2HG2  THR  10          3HG2      THR  10  -9.700  -6.906   5.821
   92   3HG2  THR  10          2HG2      THR  10  -9.461  -5.364   4.968
   93    H    VAL  11           H        VAL  11  -7.650  -5.793   1.960
   94    HA   VAL  11           HA       VAL  11  -7.535  -3.119   3.021
   95    HB   VAL  11           HB       VAL  11  -5.215  -3.119   2.386
   96   1HG1  VAL  11          1HG1      VAL  11  -6.052  -5.783   3.586
   97   2HG1  VAL  11          3HG1      VAL  11  -4.412  -5.108   3.635
   98   3HG1  VAL  11          2HG1      VAL  11  -5.746  -4.258   4.444
   99   1HG2  VAL  11          1HG2      VAL  11  -5.275  -4.144   0.175
  100   2HG2  VAL  11          3HG2      VAL  11  -4.117  -4.999   1.218
  101   3HG2  VAL  11          2HG2      VAL  11  -5.711  -5.711   0.893
  102    H    CYS  12           H        CYS  12  -8.310  -4.363  -0.058
  103    HA   CYS  12           HA       CYS  12  -7.267  -2.942  -2.046
  104   1HB   CYS  12          2HB       CYS  12 -10.066  -3.842  -1.557
  105   2HB   CYS  12          1HB       CYS  12  -9.820  -2.729  -2.895
  106    HA   PRO  13           HA       PRO  13 -10.034   1.000  -1.829
  107   1HB   PRO  13          2HB       PRO  13 -11.275   1.618   0.560
  108   2HB   PRO  13          1HB       PRO  13 -12.045   0.636  -0.727
  109   1HG   PRO  13          1HG       PRO  13 -10.534  -0.326   1.743
  110   2HG   PRO  13          2HG       PRO  13 -12.151  -0.830   1.150
  111   1HD   PRO  13          1HD       PRO  13  -9.991  -2.321   0.567
  112   2HD   PRO  13          2HD       PRO  13 -11.231  -2.027  -0.696
  113    H    THR  14           H        THR  14  -8.666   0.190   1.337
  114    HA   THR  14           HA       THR  14  -7.679   2.721   2.098
  115    HB   THR  14           HB       THR  14  -6.596  -0.055   2.779
  116    HG1  THR  14           HG1      THR  14  -8.022   0.185   4.585
  117   1HG2  THR  14          1HG2      THR  14  -6.331   2.572   4.313
  118   2HG2  THR  14          3HG2      THR  14  -5.794   0.972   4.880
  119   3HG2  THR  14          2HG2      THR  14  -5.019   1.718   3.469
  120    H    VAL  15           H        VAL  15  -6.008   0.028   0.506
  121    HA   VAL  15           HA       VAL  15  -3.505   1.394   0.175
  122    HB   VAL  15           HB       VAL  15  -2.798  -0.526  -1.100
  123   1HG1  VAL  15          2HG1      VAL  15  -2.757  -0.720   1.328
  124   2HG1  VAL  15          1HG1      VAL  15  -4.429  -1.327   1.339
  125   3HG1  VAL  15          3HG1      VAL  15  -3.135  -2.297   0.596
  126   1HG2  VAL  15          1HG2      VAL  15  -4.776  -1.007  -2.463
  127   2HG2  VAL  15          3HG2      VAL  15  -4.265  -2.454  -1.567
  128   3HG2  VAL  15          2HG2      VAL  15  -5.671  -1.519  -1.011
  129    H    GLU  16           H        GLU  16  -6.364   1.194  -1.739
  130    HA   GLU  16           HA       GLU  16  -5.576   1.281  -4.362
  131   1HB   GLU  16          2HB       GLU  16  -7.897   1.134  -3.673
  132   2HB   GLU  16          1HB       GLU  16  -7.877   2.786  -3.052
  133   1HG   GLU  16          2HG       GLU  16  -7.492   3.621  -5.388
  134   2HG   GLU  16          1HG       GLU  16  -7.578   1.944  -5.973
  135    HA   PRO  17           HA       PRO  17  -5.384   6.123  -4.553
  136   1HB   PRO  17          2HB       PRO  17  -4.787   7.477  -2.216
  137   2HB   PRO  17          1HB       PRO  17  -6.460   7.154  -2.773
  138   1HG   PRO  17          1HG       PRO  17  -4.768   5.534  -0.813
  139   2HG   PRO  17          2HG       PRO  17  -6.443   6.151  -0.607
  140   1HD   PRO  17          1HD       PRO  17  -6.066   3.620  -1.394
  141   2HD   PRO  17          2HD       PRO  17  -7.330   4.609  -2.200
  142    H    TRP  18           H        TRP  18  -3.347   4.699  -2.016
  143    HA   TRP  18           HA       TRP  18  -1.009   6.242  -2.597
  144   1HB   TRP  18          2HB       TRP  18  -1.111   3.533  -1.204
  145   2HB   TRP  18          1HB       TRP  18   0.174   4.754  -1.086
  146    HD1  TRP  18          1HD       TRP  18  -1.540   7.444  -0.492
  147    HE1  TRP  18          1HE       TRP  18  -2.784   7.737   1.680
  148    HE3  TRP  18          3HE       TRP  18  -1.880   2.521   0.832
  149    HZ2  TRP  18          2HZ       TRP  18  -3.778   6.064   3.739
  150    HZ3  TRP  18          3HZ       TRP  18  -2.964   1.921   2.972
  151    HH2  TRP  18          2HH       TRP  18  -3.921   3.687   4.417
  152    H    ALA  19           H        ALA  19  -1.704   2.813  -3.182
  153    HA   ALA  19           HA       ALA  19   0.518   2.065  -4.663
  154   1HB   ALA  19          1HB       ALA  19  -2.370   1.127  -4.995
  155   2HB   ALA  19          3HB       ALA  19  -0.930   0.267  -5.598
  156   3HB   ALA  19          2HB       ALA  19  -1.178   0.473  -3.849
  157    H    LYS  20           H        LYS  20  -2.513   3.428  -5.857
  158    HA   LYS  20           HA       LYS  20  -2.011   3.525  -8.620
  159   1HB   LYS  20          2HB       LYS  20  -4.188   4.043  -7.592
  160   2HB   LYS  20          1HB       LYS  20  -3.515   5.491  -6.830
  161   1HG   LYS  20          2HG       LYS  20  -3.105   6.470  -9.088
  162   2HG   LYS  20          1HG       LYS  20  -3.813   5.024  -9.829
  163   1HD   LYS  20          2HD       LYS  20  -5.974   5.507  -8.718
  164   2HD   LYS  20          1HD       LYS  20  -5.264   6.938  -7.947
  165   1HE   LYS  20          2HE       LYS  20  -4.882   7.955 -10.186
  166   2HE   LYS  20          1HE       LYS  20  -5.603   6.523 -10.956
  167   1HZ   LYS  20          1HZ       LYS  20  -6.951   8.326  -9.028
  168   2HZ   LYS  20          3HZ       LYS  20  -7.198   8.300 -10.709
  169   3HZ   LYS  20          2HZ       LYS  20  -7.640   6.959  -9.764
  170    H    LYS  21           H        LYS  21  -1.450   6.038  -6.177
  171    HA   LYS  21           HA       LYS  21   0.268   7.620  -7.961
  172   1HB   LYS  21          2HB       LYS  21  -0.633   8.033  -5.078
  173   2HB   LYS  21          1HB       LYS  21   0.306   9.197  -6.028
  174   1HG   LYS  21          2HG       LYS  21  -1.547   9.420  -7.636
  175   2HG   LYS  21          1HG       LYS  21  -2.483   8.201  -6.756
  176   1HD   LYS  21          2HD       LYS  21  -3.281  10.444  -6.199
  177   2HD   LYS  21          1HD       LYS  21  -2.569   9.677  -4.774
  178   1HE   LYS  21          2HE       LYS  21  -0.469  10.993  -5.129
  179   2HE   LYS  21          1HE       LYS  21  -1.215  11.772  -6.546
  180   1HZ   LYS  21          2HZ       LYS  21  -2.947  12.616  -5.113
  181   2HZ   LYS  21          1HZ       LYS  21  -2.235  11.870  -3.764
  182   3HZ   LYS  21          3HZ       LYS  21  -1.418  13.121  -4.571
  183    H    CYS  22           H        CYS  22   1.452   5.259  -7.699
  184    HA   CYS  22           HA       CYS  22   3.947   5.896  -6.310
  185   1HB   CYS  22          2HB       CYS  22   2.439   4.708  -4.624
  186   2HB   CYS  22          1HB       CYS  22   2.503   3.280  -5.672
  187    H    SER  23           H        SER  23   5.540   4.077  -6.651
  188    HA   SER  23           HA       SER  23   5.213   2.572  -9.169
  189   1HB   SER  23          2HB       SER  23   7.345   4.722  -8.722
  190   2HB   SER  23          1HB       SER  23   7.333   3.578 -10.084
  191    HG   SER  23           HG       SER  23   5.267   5.459  -9.473
  192    H    GLY  24           H        GLY  24   7.512   1.614  -9.689
  193   1HA   GLY  24          2HA       GLY  24   9.342   0.294  -9.012
  194   2HA   GLY  24          1HA       GLY  24   8.918   0.592  -7.319
  195    H    ASP  25           H        ASP  25   9.596  -1.781  -7.647
  196    HA   ASP  25           HA       ASP  25   7.930  -3.721  -8.836
  197   1HB   ASP  25          2HB       ASP  25   9.871  -3.959  -6.492
  198   2HB   ASP  25          1HB       ASP  25   9.127  -5.341  -7.318
  199    H    ILE  26           H        ILE  26   8.058  -2.588  -5.481
  200    HA   ILE  26           HA       ILE  26   6.153  -4.394  -4.398
  201    HB   ILE  26           HB       ILE  26   6.777  -1.588  -3.419
  202   1HG1  ILE  26          2HG1      ILE  26   8.891  -2.767  -3.702
  203   2HG1  ILE  26          1HG1      ILE  26   8.516  -2.550  -1.993
  204   1HG2  ILE  26          1HG2      ILE  26   5.737  -4.049  -1.952
  205   2HG2  ILE  26          3HG2      ILE  26   6.182  -2.509  -1.188
  206   3HG2  ILE  26          2HG2      ILE  26   4.820  -2.574  -2.325
  207   1HD1  ILE  26          1HD1      ILE  26   8.142  -5.136  -3.579
  208   2HD1  ILE  26          3HD1      ILE  26   9.448  -4.798  -2.421
  209   3HD1  ILE  26          2HD1      ILE  26   7.768  -4.922  -1.851
  210    H    ALA  27           H        ALA  27   5.793  -1.051  -5.560
  211    HA   ALA  27           HA       ALA  27   3.059  -0.646  -5.087
  212   1HB   ALA  27          2HB       ALA  27   4.579   1.144  -5.856
  213   2HB   ALA  27          1HB       ALA  27   4.737   0.350  -7.440
  214   3HB   ALA  27          3HB       ALA  27   3.169   1.018  -6.932
  215    H    THR  28           H        THR  28   4.653  -2.036  -7.922
  216    HA   THR  28           HA       THR  28   2.392  -2.563  -9.531
  217    HB   THR  28           HB       THR  28   5.047  -4.059  -9.361
  218    HG1  THR  28           HG1      THR  28   5.581  -2.620 -11.090
  219   1HG2  THR  28          1HG2      THR  28   3.031  -3.954 -11.653
  220   2HG2  THR  28          3HG2      THR  28   4.640  -4.714 -11.710
  221   3HG2  THR  28          2HG2      THR  28   3.382  -5.378 -10.645
  222    H    TYR  29           H        TYR  29   4.006  -4.567  -7.094
  223    HA   TYR  29           HA       TYR  29   2.559  -6.967  -7.455
  224   1HB   TYR  29          2HB       TYR  29   4.603  -6.972  -6.177
  225   2HB   TYR  29          1HB       TYR  29   3.960  -5.804  -5.018
  226    HD1  TYR  29          1HD       TYR  29   2.900  -9.136  -6.447
  227    HD2  TYR  29          2HD       TYR  29   3.396  -6.684  -2.957
  228    HE1  TYR  29          1HE       TYR  29   2.035 -10.969  -5.032
  229    HE2  TYR  29          2HE       TYR  29   2.549  -8.524  -1.544
  230    HH   TYR  29           HH       TYR  29   1.448 -11.609  -2.966
  231    H    ILE  30           H        ILE  30   2.083  -4.456  -4.982
  232    HA   ILE  30           HA       ILE  30  -0.243  -5.393  -3.764
  233    HB   ILE  30           HB       ILE  30   0.738  -2.559  -4.273
  234   1HG1  ILE  30          2HG1      ILE  30   0.953  -4.244  -1.751
  235   2HG1  ILE  30          1HG1      ILE  30   2.230  -4.134  -2.968
  236   1HG2  ILE  30          1HG2      ILE  30  -1.427  -3.444  -2.317
  237   2HG2  ILE  30          3HG2      ILE  30  -0.704  -1.820  -2.390
  238   3HG2  ILE  30          2HG2      ILE  30  -1.657  -2.426  -3.756
  239   1HD1  ILE  30          1HD1      ILE  30   1.115  -1.788  -1.357
  240   2HD1  ILE  30          3HD1      ILE  30   2.675  -2.597  -1.084
  241   3HD1  ILE  30          2HD1      ILE  30   2.396  -1.693  -2.587
  242    H    LYS  31           H        LYS  31   0.091  -3.269  -6.559
  243    HA   LYS  31           HA       LYS  31  -2.607  -2.651  -7.075
  244   1HB   LYS  31          2HB       LYS  31  -0.442  -1.690  -8.124
  245   2HB   LYS  31          1HB       LYS  31  -0.458  -3.092  -9.197
  246   1HG   LYS  31          2HG       LYS  31  -1.535  -1.568 -10.538
  247   2HG   LYS  31          1HG       LYS  31  -2.935  -2.267  -9.722
  248   1HD   LYS  31          2HD       LYS  31  -1.546   0.349  -8.998
  249   2HD   LYS  31          1HD       LYS  31  -3.095   0.188  -9.831
  250   1HE   LYS  31          2HE       LYS  31  -4.082  -0.844  -7.782
  251   2HE   LYS  31          1HE       LYS  31  -2.521  -0.635  -6.948
  252   1HZ   LYS  31          1HZ       LYS  31  -4.153   1.536  -8.121
  253   2HZ   LYS  31          3HZ       LYS  31  -4.025   1.167  -6.467
  254   3HZ   LYS  31          2HZ       LYS  31  -2.667   1.720  -7.323
  255    H    ARG  32           H        ARG  32  -0.615  -5.347  -8.187
  256    HA   ARG  32           HA       ARG  32  -2.509  -6.583  -9.928
  257   1HB   ARG  32          2HB       ARG  32  -0.090  -7.038 -10.029
  258   2HB   ARG  32          1HB       ARG  32  -0.134  -7.758  -8.414
  259   1HG   ARG  32          2HG       ARG  32  -1.691  -9.520  -9.271
  260   2HG   ARG  32          1HG       ARG  32  -1.542  -8.827 -10.897
  261   1HD   ARG  32          2HD       ARG  32   0.894  -9.320 -10.879
  262   2HD   ARG  32          1HD       ARG  32   0.743  -9.993  -9.237
  263    HE   ARG  32           HE       ARG  32  -1.099 -11.262 -11.044
  264   1HH1  ARG  32          2HH2      ARG  32   2.298 -11.143 -10.154
  265   2HH1  ARG  32          1HH2      ARG  32   2.607 -12.769 -10.664
  266   1HH2  ARG  32          2HH1      ARG  32  -0.677 -13.391 -11.694
  267   2HH2  ARG  32          1HH1      ARG  32   0.920 -14.042 -11.538
  268    H    GLU  33           H        GLU  33  -1.641  -7.209  -6.538
  269    HA   GLU  33           HA       GLU  33  -3.146  -9.580  -6.199
  270   1HB   GLU  33          2HB       GLU  33  -2.283  -7.515  -4.131
  271   2HB   GLU  33          1HB       GLU  33  -2.896  -9.142  -3.786
  272   1HG   GLU  33          2HG       GLU  33  -0.355  -8.619  -5.368
  273   2HG   GLU  33          1HG       GLU  33  -0.392  -8.931  -3.627
  274    H    CYS  34           H        CYS  34  -3.959  -6.268  -5.139
  275    HA   CYS  34           HA       CYS  34  -6.666  -6.868  -4.420
  276   1HB   CYS  34          2HB       CYS  34  -5.707  -4.885  -3.491
  277   2HB   CYS  34          1HB       CYS  34  -5.238  -4.266  -5.088
  278    H    GLY  35           H        GLY  35  -5.348  -5.125  -7.218
  279   1HA   GLY  35          2HA       GLY  35  -7.827  -4.654  -8.512
  280   2HA   GLY  35          1HA       GLY  35  -6.231  -4.488  -9.254
  281    H    LYS  36           H        LYS  36  -5.176  -6.701  -9.695
  282    HA   LYS  36           HA       LYS  36  -6.880  -8.187 -11.514
  283   1HB   LYS  36          2HB       LYS  36  -4.404  -7.551 -11.822
  284   2HB   LYS  36          1HB       LYS  36  -4.022  -8.862 -10.715
  285   1HG   LYS  36          2HG       LYS  36  -5.606  -9.221 -13.291
  286   2HG   LYS  36          1HG       LYS  36  -3.854  -9.361 -13.211
  287   1HD   LYS  36          2HD       LYS  36  -5.718 -11.162 -11.610
  288   2HD   LYS  36          1HD       LYS  36  -5.194 -11.521 -13.248
  289   1HE   LYS  36          2HE       LYS  36  -3.797 -12.759 -11.703
  290   2HE   LYS  36          1HE       LYS  36  -2.810 -11.515 -12.496
  291   1HZ   LYS  36          1HZ       LYS  36  -4.010 -11.320  -9.796
  292   2HZ   LYS  36          3HZ       LYS  36  -2.378 -11.634 -10.148
  293   3HZ   LYS  36          2HZ       LYS  36  -3.057 -10.134 -10.554
  294    H    LEU  37           H        LEU  37  -8.403  -8.862  -9.934
  295    HA   LEU  37           HA       LEU  37  -8.098 -11.533  -9.015
  296   1HB   LEU  37          2HB       LEU  37  -6.747 -10.234  -7.265
  297   2HB   LEU  37          1HB       LEU  37  -8.251  -9.479  -6.763
  298    HG   LEU  37           HG       LEU  37  -7.626 -11.292  -5.282
  299   1HD1  LEU  37          2HD1      LEU  37 -10.042 -10.941  -5.554
  300   2HD1  LEU  37          1HD1      LEU  37 -10.076 -12.120  -6.888
  301   3HD1  LEU  37          3HD1      LEU  37  -9.671 -12.651  -5.246
  302   1HD2  LEU  37          1HD2      LEU  37  -6.290 -12.665  -6.768
  303   2HD2  LEU  37          3HD2      LEU  37  -7.555 -13.656  -6.010
  304   3HD2  LEU  37          2HD2      LEU  37  -7.732 -13.131  -7.698
  305   1H    TRP   1          1H        TRP   1 -11.688  -1.533   8.749
  306   2H    TRP   1          3H        TRP   1 -13.022  -1.508   7.698
  307   3H    TRP   1          2H        TRP   1 -13.233  -1.938   9.329
  308    HA   TRP   1           HA       TRP   1 -13.318  -3.860   7.984
  309   1HB   TRP   1          2HB       TRP   1 -11.075  -4.533   6.825
  310   2HB   TRP   1          1HB       TRP   1 -12.205  -3.440   6.010
  311    HD1  TRP   1          1HD       TRP   1 -11.545  -0.569   6.572
  312    HE1  TRP   1          1HE       TRP   1  -9.283   0.505   6.325
  313    HE3  TRP   1          3HE       TRP   1  -8.669  -4.786   6.949
  314    HZ2  TRP   1          2HZ       TRP   1  -6.587  -0.336   6.266
  315    HZ3  TRP   1          3HZ       TRP   1  -6.211  -4.573   6.747
  316    HH2  TRP   1          2HH       TRP   1  -5.183  -2.359   6.360
  317    H    SER   2           H        SER   2  -9.970  -3.196   9.078
  318    HA   SER   2           HA       SER   2 -10.355  -4.453  11.634
  319   1HB   SER   2          2HB       SER   2 -10.428  -6.512  10.246
  320   2HB   SER   2          1HB       SER   2  -8.880  -6.073   9.502
  321    HG   SER   2           HG       SER   2  -8.642  -7.569  11.270
  322    H    THR   3           H        THR   3  -8.638  -4.376  12.954
  323    HA   THR   3           HA       THR   3  -6.434  -2.581  12.329
  324    HB   THR   3           HB       THR   3  -7.095  -4.206  14.825
  325    HG1  THR   3           HG1      THR   3  -7.816  -2.125  15.557
  326   1HG2  THR   3          1HG2      THR   3  -5.106  -1.910  14.495
  327   2HG2  THR   3          3HG2      THR   3  -5.560  -2.683  16.033
  328   3HG2  THR   3          2HG2      THR   3  -4.684  -3.613  14.796
  329    H    ILE   4           H        ILE   4  -6.803  -5.983  13.263
  330    HA   ILE   4           HA       ILE   4  -4.083  -6.729  13.273
  331    HB   ILE   4           HB       ILE   4  -6.629  -8.314  12.850
  332   1HG1  ILE   4          2HG1      ILE   4  -6.124  -9.229  15.118
  333   2HG1  ILE   4          1HG1      ILE   4  -4.766  -8.110  15.237
  334   1HG2  ILE   4          1HG2      ILE   4  -3.830  -9.471  13.150
  335   2HG2  ILE   4          3HG2      ILE   4  -5.344 -10.398  13.239
  336   3HG2  ILE   4          2HG2      ILE   4  -4.887  -9.599  11.723
  337   1HD1  ILE   4          1HD1      ILE   4  -7.695  -7.294  14.971
  338   2HD1  ILE   4          3HD1      ILE   4  -6.747  -7.301  16.475
  339   3HD1  ILE   4          2HD1      ILE   4  -6.315  -6.184  15.170
  340    H    VAL   5           H        VAL   5  -6.514  -7.115  10.706
  341    HA   VAL   5           HA       VAL   5  -4.869  -8.193   8.690
  342    HB   VAL   5           HB       VAL   5  -7.228  -6.298   8.369
  343   1HG1  VAL   5          2HG1      VAL   5  -5.976  -6.508   6.255
  344   2HG1  VAL   5          1HG1      VAL   5  -6.052  -8.277   6.376
  345   3HG1  VAL   5          3HG1      VAL   5  -7.542  -7.339   6.143
  346   1HG2  VAL   5          1HG2      VAL   5  -7.850  -8.267   9.718
  347   2HG2  VAL   5          3HG2      VAL   5  -8.607  -8.346   8.114
  348   3HG2  VAL   5          2HG2      VAL   5  -7.181  -9.346   8.477
  349    H    LYS   6           H        LYS   6  -5.491  -4.828   9.590
  350    HA   LYS   6           HA       LYS   6  -4.065  -3.563   7.505
  351   1HB   LYS   6          2HB       LYS   6  -5.630  -2.399   9.080
  352   2HB   LYS   6          1HB       LYS   6  -4.402  -2.530  10.350
  353   1HG   LYS   6          2HG       LYS   6  -2.838  -1.176   9.060
  354   2HG   LYS   6          1HG       LYS   6  -3.944  -1.141   7.679
  355   1HD   LYS   6          2HD       LYS   6  -5.602   0.106   9.093
  356   2HD   LYS   6          1HD       LYS   6  -4.421   0.122  10.415
  357   1HE   LYS   6          2HE       LYS   6  -4.374   2.267   9.203
  358   2HE   LYS   6          1HE       LYS   6  -2.835   1.399   8.977
  359   1HZ   LYS   6          2HZ       LYS   6  -3.646   0.591   6.868
  360   2HZ   LYS   6          1HZ       LYS   6  -5.110   1.423   7.079
  361   3HZ   LYS   6          3HZ       LYS   6  -3.659   2.289   6.908
  362    H    LEU   7           H        LEU   7  -2.955  -4.699  10.673
  363    HA   LEU   7           HA       LEU   7  -0.288  -3.756  10.548
  364   1HB   LEU   7          2HB       LEU   7  -1.418  -6.235  11.917
  365   2HB   LEU   7          1HB       LEU   7   0.207  -5.595  12.181
  366    HG   LEU   7           HG       LEU   7  -2.368  -4.082  12.747
  367   1HD1  LEU   7          2HD1      LEU   7  -2.132  -5.971  14.287
  368   2HD1  LEU   7          1HD1      LEU   7  -0.474  -5.468  14.684
  369   3HD1  LEU   7          3HD1      LEU   7  -1.850  -4.438  15.142
  370   1HD2  LEU   7          2HD2      LEU   7   0.512  -3.359  13.417
  371   2HD2  LEU   7          1HD2      LEU   7  -0.533  -2.544  12.229
  372   3HD2  LEU   7          3HD2      LEU   7  -0.933  -2.474  13.958
  373    H    THR   8           H        THR   8  -1.776  -6.683   9.284
  374    HA   THR   8           HA       THR   8   0.560  -8.101   8.526
  375    HB   THR   8           HB       THR   8  -2.203  -8.156   7.228
  376    HG1  THR   8           HG1      THR   8  -2.217  -8.570   9.498
  377   1HG2  THR   8          1HG2      THR   8  -0.014 -10.281   7.265
  378   2HG2  THR   8          3HG2      THR   8  -1.648 -10.476   6.593
  379   3HG2  THR   8          2HG2      THR   8  -0.514  -9.329   5.847
  380    H    ILE   9           H        ILE   9  -1.547  -5.961   6.623
  381    HA   ILE   9           HA       ILE   9   0.024  -6.149   4.224
  382    HB   ILE   9           HB       ILE   9  -2.372  -5.754   4.161
  383   1HG1  ILE   9          2HG1      ILE   9  -2.478  -3.912   2.516
  384   2HG1  ILE   9          1HG1      ILE   9  -0.841  -3.424   2.963
  385   1HG2  ILE   9          1HG2      ILE   9  -1.822  -3.036   5.411
  386   2HG2  ILE   9          3HG2      ILE   9  -3.372  -3.551   4.717
  387   3HG2  ILE   9          2HG2      ILE   9  -2.717  -4.393   6.137
  388   1HD1  ILE   9          1HD1      ILE   9  -1.619  -6.111   1.736
  389   2HD1  ILE   9          3HD1      ILE   9  -0.832  -4.756   0.889
  390   3HD1  ILE   9          2HD1      ILE   9   0.035  -5.617   2.176
  391    H    CYS  10           H        CYS  10  -0.058  -3.904   6.885
  392    HA   CYS  10           HA       CYS  10   0.943  -1.558   5.918
  393   1HB   CYS  10          2HB       CYS  10   1.153  -2.913   8.571
  394   2HB   CYS  10          1HB       CYS  10   2.165  -1.488   8.294
  395    HA   PRO  11           HA       PRO  11   5.626  -2.810   6.538
  396   1HB   PRO  11          2HB       PRO  11   6.153  -5.491   5.971
  397   2HB   PRO  11          1HB       PRO  11   5.984  -4.815   7.621
  398   1HG   PRO  11          1HG       PRO  11   3.868  -6.169   5.893
  399   2HG   PRO  11          2HG       PRO  11   4.290  -6.484   7.612
  400   1HD   PRO  11          1HD       PRO  11   2.193  -4.928   7.060
  401   2HD   PRO  11          2HD       PRO  11   3.339  -4.399   8.337
  402    H    THR  12           H        THR  12   3.735  -4.816   4.295
  403    HA   THR  12           HA       THR  12   5.368  -4.595   1.996
  404    HB   THR  12           HB       THR  12   2.318  -4.784   2.063
  405    HG1  THR  12           HG1      THR  12   2.748  -7.059   2.064
  406   1HG2  THR  12          1HG2      THR  12   4.336  -5.750  -0.013
  407   2HG2  THR  12          3HG2      THR  12   2.579  -6.012  -0.064
  408   3HG2  THR  12          2HG2      THR  12   3.236  -4.368  -0.204
  409    H    LEU  13           H        LEU  13   2.719  -2.559   3.175
  410    HA   LEU  13           HA       LEU  13   2.614  -0.704   1.031
  411   1HB   LEU  13          2HB       LEU  13   1.945  -0.188   3.959
  412   2HB   LEU  13          1HB       LEU  13   1.427   0.777   2.575
  413    HG   LEU  13           HG       LEU  13   0.646  -2.087   3.165
  414   1HD1  LEU  13          2HD1      LEU  13  -0.484  -0.512   4.644
  415   2HD1  LEU  13          1HD1      LEU  13  -1.002   0.466   3.252
  416   3HD1  LEU  13          3HD1      LEU  13  -1.641  -1.178   3.471
  417   1HD2  LEU  13          2HD2      LEU  13  -0.208  -0.338   0.825
  418   2HD2  LEU  13          1HD2      LEU  13   0.802  -1.802   0.745
  419   3HD2  LEU  13          3HD2      LEU  13  -0.897  -1.927   1.233
  420    H    LYS  14           H        LYS  14   4.620  -0.783   3.930
  421    HA   LYS  14           HA       LYS  14   5.786   1.815   3.666
  422   1HB   LYS  14          2HB       LYS  14   6.826  -0.717   5.004
  423   2HB   LYS  14          1HB       LYS  14   7.621   0.856   5.117
  424   1HG   LYS  14          2HG       LYS  14   4.793   0.225   6.079
  425   2HG   LYS  14          1HG       LYS  14   6.223   0.355   7.109
  426   1HD   LYS  14          2HD       LYS  14   5.042   2.613   5.432
  427   2HD   LYS  14          1HD       LYS  14   4.801   2.396   7.169
  428   1HE   LYS  14          2HE       LYS  14   7.239   2.713   7.548
  429   2HE   LYS  14          1HE       LYS  14   7.480   2.920   5.796
  430   1HZ   LYS  14          1HZ       LYS  14   5.762   4.608   7.520
  431   2HZ   LYS  14          3HZ       LYS  14   7.293   5.029   6.922
  432   3HZ   LYS  14          2HZ       LYS  14   5.997   4.801   5.849
  433    H    SER  15           H        SER  15   6.806  -1.387   2.565
  434    HA   SER  15           HA       SER  15   9.229  -0.702   1.291
  435   1HB   SER  15          2HB       SER  15   7.211  -2.866   0.519
  436   2HB   SER  15          1HB       SER  15   8.907  -2.783  -0.013
  437    HG   SER  15           HG       SER  15   8.022  -2.973   2.697
  438    H    MET  16           H        MET  16   5.906  -0.659   0.114
  439    HA   MET  16           HA       MET  16   6.357   0.207  -2.558
  440   1HB   MET  16          2HB       MET  16   4.207  -0.714  -1.762
  441   2HB   MET  16          1HB       MET  16   3.988   0.672  -0.693
  442   1HG   MET  16          2HG       MET  16   3.869   2.179  -2.644
  443   2HG   MET  16          1HG       MET  16   4.110   0.803  -3.733
  444   1HE   MET  16          1HE       MET  16   1.700   2.644  -1.226
  445   2HE   MET  16          3HE       MET  16   0.335   1.509  -1.103
  446   3HE   MET  16          2HE       MET  16   1.913   1.080  -0.405
  447    H    ALA  17           H        ALA  17   5.797   1.947   0.447
  448    HA   ALA  17           HA       ALA  17   5.379   4.562  -0.424
  449   1HB   ALA  17          2HB       ALA  17   5.047   3.828   1.909
  450   2HB   ALA  17          1HB       ALA  17   6.800   3.641   2.113
  451   3HB   ALA  17          3HB       ALA  17   6.112   5.248   1.838
  452    H    LYS  18           H        LYS  18   8.385   2.835   0.060
  453    HA   LYS  18           HA       LYS  18  10.322   4.801   0.128
  454   1HB   LYS  18          2HB       LYS  18  10.517   2.231  -1.501
  455   2HB   LYS  18          1HB       LYS  18  11.861   3.163  -0.830
  456   1HG   LYS  18          2HG       LYS  18   9.769   1.598   0.732
  457   2HG   LYS  18          1HG       LYS  18  11.468   1.169   0.515
  458   1HD   LYS  18          2HD       LYS  18  12.145   3.178   1.805
  459   2HD   LYS  18          1HD       LYS  18  10.439   3.612   2.023
  460   1HE   LYS  18          2HE       LYS  18  10.058   1.487   3.267
  461   2HE   LYS  18          1HE       LYS  18  11.775   1.070   3.065
  462   1HZ   LYS  18          2HZ       LYS  18  12.360   3.074   4.247
  463   2HZ   LYS  18          1HZ       LYS  18  10.720   3.472   4.439
  464   3HZ   LYS  18          3HZ       LYS  18  11.351   2.087   5.194
  465    H    LYS  19           H        LYS  19   8.968   3.314  -2.815
  466    HA   LYS  19           HA       LYS  19  10.039   5.587  -4.431
  467   1HB   LYS  19          2HB       LYS  19  10.964   3.286  -4.885
  468   2HB   LYS  19          1HB       LYS  19   9.339   2.772  -5.356
  469   1HG   LYS  19          2HG       LYS  19   9.349   4.450  -7.204
  470   2HG   LYS  19          1HG       LYS  19  10.970   4.967  -6.710
  471   1HD   LYS  19          2HD       LYS  19  11.873   2.752  -7.242
  472   2HD   LYS  19          1HD       LYS  19  10.251   2.147  -7.617
  473   1HE   LYS  19          2HE       LYS  19  10.093   3.774  -9.507
  474   2HE   LYS  19          1HE       LYS  19  11.743   4.335  -9.142
  475   1HZ   LYS  19          1HZ       LYS  19  10.964   1.569  -9.867
  476   2HZ   LYS  19          3HZ       LYS  19  11.727   2.691 -10.889
  477   3HZ   LYS  19          2HZ       LYS  19  12.539   2.101  -9.519
  478    H    CYS  20           H        CYS  20   7.728   6.119  -3.117
  479    HA   CYS  20           HA       CYS  20   5.654   6.009  -5.250
  480   1HB   CYS  20          2HB       CYS  20   5.423   6.895  -2.352
  481   2HB   CYS  20          1HB       CYS  20   4.111   6.937  -3.537
  482    H    GLU  21           H        GLU  21   4.495   7.886  -5.781
  483    HA   GLU  21           HA       GLU  21   6.154  10.326  -5.899
  484   1HB   GLU  21          2HB       GLU  21   3.494   9.667  -7.238
  485   2HB   GLU  21          1HB       GLU  21   4.465  11.112  -7.526
  486   1HG   GLU  21          2HG       GLU  21   4.948   9.668  -9.358
  487   2HG   GLU  21          1HG       GLU  21   6.357   9.547  -8.289
  488    H    GLY  22           H        GLY  22   5.229  12.397  -5.413
  489   1HA   GLY  22          2HA       GLY  22   4.231  13.919  -3.978
  490   2HA   GLY  22          1HA       GLY  22   2.812  12.859  -4.010
  491    H    SER  23           H        SER  23   2.755  13.790  -1.763
  492    HA   SER  23           HA       SER  23   4.465  12.498   0.231
  493   1HB   SER  23          2HB       SER  23   3.043  13.695   1.868
  494   2HB   SER  23          1HB       SER  23   3.655  14.788   0.609
  495    HG   SER  23           HG       SER  23   1.060  13.578   0.647
  496    H    ILE  24           H        ILE  24   3.083  10.698  -1.481
  497    HA   ILE  24           HA       ILE  24   0.856   9.464  -0.164
  498    HB   ILE  24           HB       ILE  24   2.832   8.564  -2.272
  499   1HG1  ILE  24          2HG1      ILE  24   1.279  10.316  -2.967
  500   2HG1  ILE  24          1HG1      ILE  24   0.978   8.808  -3.831
  501   1HG2  ILE  24          1HG2      ILE  24   0.458   6.964  -1.277
  502   2HG2  ILE  24          3HG2      ILE  24   1.392   6.610  -2.754
  503   3HG2  ILE  24          2HG2      ILE  24   2.174   6.513  -1.160
  504   1HD1  ILE  24          1HD1      ILE  24  -0.665   9.869  -1.480
  505   2HD1  ILE  24          3HD1      ILE  24  -1.136   9.919  -3.189
  506   3HD1  ILE  24          2HD1      ILE  24  -0.979   8.355  -2.360
  507    H    ALA  25           H        ALA  25   4.324   8.798  -0.234
  508    HA   ALA  25           HA       ALA  25   4.536   6.565   1.401
  509   1HB   ALA  25          2HB       ALA  25   6.448   7.630   0.241
  510   2HB   ALA  25          1HB       ALA  25   6.349   9.025   1.336
  511   3HB   ALA  25          3HB       ALA  25   6.805   7.427   1.973
  512    H    THR  26           H        THR  26   4.273   9.956   2.350
  513    HA   THR  26           HA       THR  26   4.516   9.747   5.144
  514    HB   THR  26           HB       THR  26   2.744  11.664   3.560
  515    HG1  THR  26           HG1      THR  26   4.643  12.987   3.628
  516   1HG2  THR  26          1HG2      THR  26   4.022  11.989   6.312
  517   2HG2  THR  26          3HG2      THR  26   3.110  13.236   5.429
  518   3HG2  THR  26          2HG2      THR  26   2.285  11.766   5.993
  519    H    MET  27           H        MET  27   1.625   9.577   3.094
  520    HA   MET  27           HA       MET  27  -0.334   9.226   5.089
  521   1HB   MET  27          2HB       MET  27  -0.313   8.172   2.230
  522   2HB   MET  27          1HB       MET  27  -1.724   8.218   3.291
  523   1HG   MET  27          2HG       MET  27  -0.147  10.642   2.334
  524   2HG   MET  27          1HG       MET  27  -1.708  10.109   1.698
  525   1HE   MET  27          2HE       MET  27  -3.986  10.177   3.061
  526   2HE   MET  27          1HE       MET  27  -3.256   9.188   4.347
  527   3HE   MET  27          3HE       MET  27  -4.112  10.691   4.761
  528    H    ILE  28           H        ILE  28   1.652   6.809   3.412
  529    HA   ILE  28           HA       ILE  28   0.429   4.453   4.373
  530    HB   ILE  28           HB       ILE  28   3.392   4.942   3.865
  531   1HG1  ILE  28          2HG1      ILE  28   2.163   5.476   1.851
  532   2HG1  ILE  28          1HG1      ILE  28   3.032   3.955   1.636
  533   1HG2  ILE  28          2HG2      ILE  28   3.055   2.907   5.175
  534   2HG2  ILE  28          1HG2      ILE  28   1.856   2.321   4.005
  535   3HG2  ILE  28          3HG2      ILE  28   3.560   2.503   3.522
  536   1HD1  ILE  28          2HD1      ILE  28   0.934   2.686   2.028
  537   2HD1  ILE  28          1HD1      ILE  28   0.060   4.221   2.244
  538   3HD1  ILE  28          3HD1      ILE  28   0.776   3.815   0.666
  539    H    LYS  29           H        LYS  29   3.203   6.227   5.691
  540    HA   LYS  29           HA       LYS  29   3.656   4.728   8.026
  541   1HB   LYS  29          2HB       LYS  29   5.108   6.585   6.998
  542   2HB   LYS  29          1HB       LYS  29   4.016   7.744   7.763
  543   1HG   LYS  29          2HG       LYS  29   4.525   6.440   9.972
  544   2HG   LYS  29          1HG       LYS  29   5.877   5.739   9.083
  545   1HD   LYS  29          2HD       LYS  29   6.692   7.623  10.368
  546   2HD   LYS  29          1HD       LYS  29   6.759   8.038   8.648
  547   1HE   LYS  29          2HE       LYS  29   5.914   9.929  10.037
  548   2HE   LYS  29          1HE       LYS  29   4.699   9.390   8.859
  549   1HZ   LYS  29          1HZ       LYS  29   4.827   8.600  11.714
  550   2HZ   LYS  29          3HZ       LYS  29   3.743   9.718  11.035
  551   3HZ   LYS  29          2HZ       LYS  29   3.665   8.081  10.590
  552    H    LYS  30           H        LYS  30   1.575   7.500   7.438
  553    HA   LYS  30           HA       LYS  30   0.831   8.228  10.045
  554   1HB   LYS  30          2HB       LYS  30   0.510   9.596   8.032
  555   2HB   LYS  30          1HB       LYS  30  -0.689   8.460   7.419
  556   1HG   LYS  30          2HG       LYS  30  -1.037  10.050   9.986
  557   2HG   LYS  30          1HG       LYS  30  -1.613  10.589   8.401
  558   1HD   LYS  30          2HD       LYS  30  -2.948   8.382   8.311
  559   2HD   LYS  30          1HD       LYS  30  -2.570   8.212  10.032
  560   1HE   LYS  30          2HE       LYS  30  -3.678  10.337  10.548
  561   2HE   LYS  30          1HE       LYS  30  -4.046  10.581   8.822
  562   1HZ   LYS  30          2HZ       LYS  30  -5.308   8.540   8.845
  563   2HZ   LYS  30          1HZ       LYS  30  -4.959   8.310  10.490
  564   3HZ   LYS  30          3HZ       LYS  30  -5.908   9.632  10.000
  565    H    LYS  31           H        LYS  31  -1.029   6.285   7.706
  566    HA   LYS  31           HA       LYS  31  -3.110   5.528   9.491
  567   1HB   LYS  31          2HB       LYS  31  -2.140   4.185   6.929
  568   2HB   LYS  31          1HB       LYS  31  -3.665   3.832   7.755
  569   1HG   LYS  31          2HG       LYS  31  -2.911   6.541   6.585
  570   2HG   LYS  31          1HG       LYS  31  -3.967   5.347   5.813
  571   1HD   LYS  31          2HD       LYS  31  -5.558   5.522   7.714
  572   2HD   LYS  31          1HD       LYS  31  -4.518   6.738   8.471
  573   1HE   LYS  31          2HE       LYS  31  -5.880   7.043   5.755
  574   2HE   LYS  31          1HE       LYS  31  -6.446   7.767   7.276
  575   1HZ   LYS  31          1HZ       LYS  31  -3.821   8.260   5.996
  576   2HZ   LYS  31          3HZ       LYS  31  -5.153   9.313   5.971
  577   3HZ   LYS  31          2HZ       LYS  31  -4.376   8.962   7.440
  578    H    CYS  32           H        CYS  32  -0.384   3.617   8.250
  579    HA   CYS  32           HA       CYS  32  -0.552   1.475  10.139
  580   1HB   CYS  32          2HB       CYS  32   1.761   2.539   8.448
  581   2HB   CYS  32          1HB       CYS  32   1.820   1.030   9.368
  582    H    ASP  33           H        ASP  33   1.856   1.141  11.274
  583    HA   ASP  33           HA       ASP  33   1.882   2.723  13.620
  584   1HB   ASP  33          2HB       ASP  33   2.846   0.429  13.441
  585   2HB   ASP  33          1HB       ASP  33   4.143   1.057  12.417
  586    H    LYS  34           H        LYS  34   2.250   4.798  13.647
  587    HA   LYS  34           HA       LYS  34   3.752   6.256  11.700
  588   1HB   LYS  34          2HB       LYS  34   2.701   7.099  14.426
  589   2HB   LYS  34          1HB       LYS  34   3.349   8.203  13.198
  590   1HG   LYS  34          2HG       LYS  34   1.585   7.317  11.605
  591   2HG   LYS  34          1HG       LYS  34   0.878   6.433  12.961
  592   1HD   LYS  34          2HD       LYS  34  -0.379   8.471  12.642
  593   2HD   LYS  34          1HD       LYS  34   0.526   8.604  14.159
  594   1HE   LYS  34          2HE       LYS  34   2.226  10.023  13.044
  595   2HE   LYS  34          1HE       LYS  34   1.369   9.848  11.495
  596   1HZ   LYS  34          1HZ       LYS  34   0.263  11.042  13.971
  597   2HZ   LYS  34          3HZ       LYS  34   0.801  11.898  12.605
  598   3HZ   LYS  34          2HZ       LYS  34  -0.554  10.881  12.490
   
  No H/Q in entry =         598
  Start of MODEL          13
 Raw file had  604 H/Q atoms
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   1.161 -17.656   2.274
    2   2H    GLY   1          3H        GLY   1   2.069 -18.562   1.162
    3   3H    GLY   1          2H        GLY   1   2.734 -18.158   2.671
    4   1HA   GLY   1          2HA       GLY   1   3.650 -16.785   0.932
    5   2HA   GLY   1          1HA       GLY   1   2.007 -16.261   0.520
    6    H    VAL   2           H        VAL   2   3.448 -14.258   0.944
    7    HA   VAL   2           HA       VAL   2   3.996 -13.351   3.569
    8    HB   VAL   2           HB       VAL   2   4.960 -12.375   1.544
    9   1HG1  VAL   2          2HG1      VAL   2   3.061 -12.378   0.010
   10   2HG1  VAL   2          1HG1      VAL   2   2.240 -11.131   0.979
   11   3HG1  VAL   2          3HG1      VAL   2   3.758 -10.748   0.144
   12   1HG2  VAL   2          1HG2      VAL   2   5.069 -11.082   3.589
   13   2HG2  VAL   2          3HG2      VAL   2   4.855  -9.991   2.202
   14   3HG2  VAL   2          2HG2      VAL   2   3.478 -10.357   3.266
   15    H    ILE   3           H        ILE   3   1.181 -12.891   1.500
   16    HA   ILE   3           HA       ILE   3  -0.544 -12.366   3.846
   17    HB   ILE   3           HB       ILE   3  -0.266 -10.617   1.374
   18   1HG1  ILE   3          2HG1      ILE   3   0.175  -9.980   4.308
   19   2HG1  ILE   3          1HG1      ILE   3   1.412 -10.128   3.056
   20   1HG2  ILE   3          2HG2      ILE   3  -2.658 -10.844   1.854
   21   2HG2  ILE   3          1HG2      ILE   3  -2.376 -10.377   3.549
   22   3HG2  ILE   3          3HG2      ILE   3  -2.107  -9.206   2.238
   23   1HD1  ILE   3          2HD1      ILE   3   0.512  -8.141   1.890
   24   2HD1  ILE   3          1HD1      ILE   3  -0.732  -7.962   3.152
   25   3HD1  ILE   3          3HD1      ILE   3   0.987  -7.770   3.560
   26    HA   PRO   4           HA       PRO   4  -3.010 -15.148   1.337
   27   1HB   PRO   4          2HB       PRO   4  -5.297 -15.224   2.791
   28   2HB   PRO   4          1HB       PRO   4  -3.756 -15.841   3.477
   29   1HG   PRO   4          1HG       PRO   4  -5.009 -13.079   3.815
   30   2HG   PRO   4          2HG       PRO   4  -4.472 -14.214   5.099
   31   1HD   PRO   4          1HD       PRO   4  -2.842 -12.213   4.217
   32   2HD   PRO   4          2HD       PRO   4  -2.175 -13.823   4.651
   33    H    LYS   5           H        LYS   5  -5.024 -15.297   0.194
   34    HA   LYS   5           HA       LYS   5  -5.561 -13.196  -1.562
   35   1HB   LYS   5          2HB       LYS   5  -6.043 -15.562  -2.022
   36   2HB   LYS   5          1HB       LYS   5  -7.309 -15.572  -0.788
   37   1HG   LYS   5          2HG       LYS   5  -8.612 -13.918  -2.111
   38   2HG   LYS   5          1HG       LYS   5  -7.347 -13.910  -3.346
   39   1HD   LYS   5          2HD       LYS   5  -8.989 -16.345  -2.522
   40   2HD   LYS   5          1HD       LYS   5  -9.315 -15.346  -3.940
   41   1HE   LYS   5          2HE       LYS   5  -6.781 -16.998  -3.470
   42   2HE   LYS   5          1HE       LYS   5  -8.119 -17.420  -4.561
   43   1HZ   LYS   5          1HZ       LYS   5  -6.428 -14.998  -4.763
   44   2HZ   LYS   5          3HZ       LYS   5  -6.297 -16.385  -5.735
   45   3HZ   LYS   5          2HZ       LYS   5  -7.694 -15.424  -5.811
   46    H    LYS   6           H        LYS   6  -7.414 -14.246   1.269
   47    HA   LYS   6           HA       LYS   6  -9.642 -12.586   1.114
   48   1HB   LYS   6          2HB       LYS   6  -9.467 -14.382   2.749
   49   2HB   LYS   6          1HB       LYS   6  -8.120 -13.578   3.561
   50   1HG   LYS   6          2HG       LYS   6 -10.213 -13.316   4.828
   51   2HG   LYS   6          1HG       LYS   6  -9.601 -11.749   4.285
   52   1HD   LYS   6          2HD       LYS   6 -11.243 -11.788   2.396
   53   2HD   LYS   6          1HD       LYS   6 -11.869 -13.334   2.991
   54   1HE   LYS   6          2HE       LYS   6 -11.918 -10.692   4.529
   55   2HE   LYS   6          1HE       LYS   6 -13.302 -11.423   3.684
   56   1HZ   LYS   6          1HZ       LYS   6 -11.789 -12.645   5.918
   57   2HZ   LYS   6          3HZ       LYS   6 -13.325 -11.926   6.029
   58   3HZ   LYS   6          2HZ       LYS   6 -13.113 -13.340   5.113
   59    H    ILE   7           H        ILE   7  -6.632 -11.922   2.911
   60    HA   ILE   7           HA       ILE   7  -7.269  -9.321   3.782
   61    HB   ILE   7           HB       ILE   7  -4.598 -10.626   3.213
   62   1HG1  ILE   7          2HG1      ILE   7  -5.912 -11.718   4.971
   63   2HG1  ILE   7          1HG1      ILE   7  -4.437 -10.982   5.607
   64   1HG2  ILE   7          1HG2      ILE   7  -5.083  -7.988   4.657
   65   2HG2  ILE   7          3HG2      ILE   7  -3.540  -8.870   4.622
   66   3HG2  ILE   7          2HG2      ILE   7  -4.220  -8.216   3.119
   67   1HD1  ILE   7          1HD1      ILE   7  -7.256  -9.818   5.833
   68   2HD1  ILE   7          3HD1      ILE   7  -6.349 -10.626   7.130
   69   3HD1  ILE   7          2HD1      ILE   7  -5.775  -9.074   6.483
   70    H    TRP   8           H        TRP   8  -5.586 -10.350   0.825
   71    HA   TRP   8           HA       TRP   8  -4.895  -7.844  -0.207
   72   1HB   TRP   8          2HB       TRP   8  -5.583 -10.466  -1.581
   73   2HB   TRP   8          1HB       TRP   8  -5.075  -9.029  -2.490
   74    HD1  TRP   8          1HD       TRP   8  -3.465 -12.066  -1.172
   75    HE1  TRP   8          1HE       TRP   8  -1.006 -11.755  -0.710
   76    HE3  TRP   8          3HE       TRP   8  -3.324  -6.952  -1.268
   77    HZ2  TRP   8          2HZ       TRP   8   0.789  -9.587  -0.422
   78    HZ3  TRP   8          3HZ       TRP   8  -1.161  -5.808  -0.957
   79    HH2  TRP   8          2HH       TRP   8   0.890  -7.120  -0.516
   80    H    GLU   9           H        GLU   9  -7.949  -9.598  -0.603
   81    HA   GLU   9           HA       GLU   9  -9.157  -7.607  -2.294
   82   1HB   GLU   9          2HB       GLU   9 -10.486  -9.774  -0.623
   83   2HB   GLU   9          1HB       GLU   9 -11.268  -8.814  -1.892
   84   1HG   GLU   9          2HG       GLU   9  -9.039 -10.870  -2.221
   85   2HG   GLU   9          1HG       GLU   9 -10.686 -10.943  -2.868
   86    H    THR  10           H        THR  10  -9.144  -8.175   1.173
   87    HA   THR  10           HA       THR  10 -11.149  -6.301   1.922
   88    HB   THR  10           HB       THR  10  -8.740  -7.320   3.491
   89    HG1  THR  10           HG1      THR  10 -10.286  -8.903   2.709
   90   1HG2  THR  10          1HG2      THR  10 -11.320  -6.032   4.506
   91   2HG2  THR  10          3HG2      THR  10 -10.053  -6.767   5.518
   92   3HG2  THR  10          2HG2      THR  10  -9.699  -5.303   4.571
   93    H    VAL  11           H        VAL  11  -7.674  -5.965   1.426
   94    HA   VAL  11           HA       VAL  11  -7.566  -3.208   2.327
   95    HB   VAL  11           HB       VAL  11  -5.248  -3.220   1.639
   96   1HG1  VAL  11          1HG1      VAL  11  -6.006  -5.724   3.184
   97   2HG1  VAL  11          3HG1      VAL  11  -4.385  -4.997   3.132
   98   3HG1  VAL  11          2HG1      VAL  11  -5.744  -4.098   3.838
   99   1HG2  VAL  11          1HG2      VAL  11  -5.323  -4.535  -0.416
  100   2HG2  VAL  11          3HG2      VAL  11  -4.125  -5.209   0.713
  101   3HG2  VAL  11          2HG2      VAL  11  -5.703  -6.000   0.519
  102    H    CYS  12           H        CYS  12  -8.486  -4.672  -0.603
  103    HA   CYS  12           HA       CYS  12  -7.613  -3.210  -2.704
  104   1HB   CYS  12          2HB       CYS  12 -10.406  -4.146  -2.048
  105   2HB   CYS  12          1HB       CYS  12 -10.114  -3.206  -3.505
  106    HA   PRO  13           HA       PRO  13 -10.541   0.588  -2.079
  107   1HB   PRO  13          2HB       PRO  13 -11.815   0.915   0.333
  108   2HB   PRO  13          1HB       PRO  13 -12.520  -0.035  -1.016
  109   1HG   PRO  13          1HG       PRO  13 -10.899  -1.046   1.368
  110   2HG   PRO  13          2HG       PRO  13 -12.493  -1.620   0.773
  111   1HD   PRO  13          1HD       PRO  13 -10.248  -2.909   0.039
  112   2HD   PRO  13          2HD       PRO  13 -11.546  -2.619  -1.166
  113    H    THR  14           H        THR  14  -8.971  -0.524   0.893
  114    HA   THR  14           HA       THR  14  -8.286   1.950   2.055
  115    HB   THR  14           HB       THR  14  -6.821  -0.726   2.200
  116    HG1  THR  14           HG1      THR  14  -8.119  -0.945   4.097
  117   1HG2  THR  14          2HG2      THR  14  -5.403   1.117   3.069
  118   2HG2  THR  14          1HG2      THR  14  -6.729   1.634   4.135
  119   3HG2  THR  14          3HG2      THR  14  -5.952   0.051   4.373
  120    H    VAL  15           H        VAL  15  -5.982  -0.228   0.422
  121    HA   VAL  15           HA       VAL  15  -4.262   2.034  -0.301
  122    HB   VAL  15           HB       VAL  15  -2.674   0.335  -1.031
  123   1HG1  VAL  15          1HG1      VAL  15  -3.883  -0.291   1.692
  124   2HG1  VAL  15          3HG1      VAL  15  -2.268  -0.786   1.146
  125   3HG1  VAL  15          2HG1      VAL  15  -2.648   0.939   1.333
  126   1HG2  VAL  15          1HG2      VAL  15  -4.176  -1.382  -1.964
  127   2HG2  VAL  15          3HG2      VAL  15  -3.083  -2.083  -0.752
  128   3HG2  VAL  15          2HG2      VAL  15  -4.776  -1.755  -0.332
  129    H    GLU  16           H        GLU  16  -6.822   1.958  -1.549
  130    HA   GLU  16           HA       GLU  16  -6.584   1.121  -4.283
  131   1HB   GLU  16          2HB       GLU  16  -8.762   1.377  -3.188
  132   2HB   GLU  16          1HB       GLU  16  -8.505   3.104  -2.994
  133   1HG   GLU  16          2HG       GLU  16  -8.465   3.374  -5.471
  134   2HG   GLU  16          1HG       GLU  16  -8.724   1.627  -5.656
  135    HA   PRO  17           HA       PRO  17  -5.767   5.739  -5.346
  136   1HB   PRO  17          2HB       PRO  17  -5.125   7.531  -3.382
  137   2HB   PRO  17          1HB       PRO  17  -6.826   7.141  -3.796
  138   1HG   PRO  17          1HG       PRO  17  -5.099   5.956  -1.574
  139   2HG   PRO  17          2HG       PRO  17  -6.747   6.655  -1.460
  140   1HD   PRO  17          1HD       PRO  17  -6.402   3.985  -1.686
  141   2HD   PRO  17          2HD       PRO  17  -7.745   4.816  -2.543
  142    H    TRP  18           H        TRP  18  -3.919   4.701  -2.502
  143    HA   TRP  18           HA       TRP  18  -1.486   6.023  -3.166
  144   1HB   TRP  18          2HB       TRP  18  -1.764   3.566  -1.390
  145   2HB   TRP  18          1HB       TRP  18  -0.486   4.800  -1.343
  146    HD1  TRP  18          1HD       TRP  18  -2.247   7.528  -1.375
  147    HE1  TRP  18          1HE       TRP  18  -3.686   8.171   0.594
  148    HE3  TRP  18          3HE       TRP  18  -2.714   2.904   0.732
  149    HZ2  TRP  18          2HZ       TRP  18  -4.904   6.847   2.790
  150    HZ3  TRP  18          3HZ       TRP  18  -4.032   2.649   2.812
  151    HH2  TRP  18          2HH       TRP  18  -5.134   4.617   3.831
  152    H    ALA  19           H        ALA  19  -2.455   2.616  -3.522
  153    HA   ALA  19           HA       ALA  19  -0.105   1.617  -4.715
  154   1HB   ALA  19          2HB       ALA  19  -1.916   0.156  -3.895
  155   2HB   ALA  19          1HB       ALA  19  -2.993   0.745  -5.185
  156   3HB   ALA  19          3HB       ALA  19  -1.544  -0.202  -5.595
  157    H    LYS  20           H        LYS  20  -2.937   3.136  -6.172
  158    HA   LYS  20           HA       LYS  20  -2.305   2.716  -8.912
  159   1HB   LYS  20          2HB       LYS  20  -4.537   3.321  -8.001
  160   2HB   LYS  20          1HB       LYS  20  -3.939   4.923  -7.583
  161   1HG   LYS  20          2HG       LYS  20  -4.033   3.862 -10.430
  162   2HG   LYS  20          1HG       LYS  20  -5.353   4.764  -9.679
  163   1HD   LYS  20          2HD       LYS  20  -3.742   6.693  -9.329
  164   2HD   LYS  20          1HD       LYS  20  -2.539   5.789 -10.266
  165   1HE   LYS  20          2HE       LYS  20  -3.631   7.415 -11.713
  166   2HE   LYS  20          1HE       LYS  20  -4.059   5.769 -12.228
  167   1HZ   LYS  20          1HZ       LYS  20  -5.710   7.544 -10.522
  168   2HZ   LYS  20          3HZ       LYS  20  -5.976   7.211 -12.168
  169   3HZ   LYS  20          2HZ       LYS  20  -6.121   5.971 -11.017
  170    H    LYS  21           H        LYS  21  -1.953   5.639  -6.926
  171    HA   LYS  21           HA       LYS  21  -0.680   7.283  -8.830
  172   1HB   LYS  21          2HB       LYS  21  -0.590   7.337  -5.784
  173   2HB   LYS  21          1HB       LYS  21  -0.005   8.646  -6.823
  174   1HG   LYS  21          2HG       LYS  21  -2.232   9.049  -7.689
  175   2HG   LYS  21          1HG       LYS  21  -2.879   7.624  -6.864
  176   1HD   LYS  21          2HD       LYS  21  -2.311   8.689  -4.661
  177   2HD   LYS  21          1HD       LYS  21  -1.752  10.128  -5.526
  178   1HE   LYS  21          2HE       LYS  21  -4.601   9.026  -5.594
  179   2HE   LYS  21          1HE       LYS  21  -4.056  10.422  -4.638
  180   1HZ   LYS  21          1HZ       LYS  21  -3.936  10.184  -7.589
  181   2HZ   LYS  21          3HZ       LYS  21  -5.064  11.100  -6.708
  182   3HZ   LYS  21          2HZ       LYS  21  -3.418  11.518  -6.675
  183    H    CYS  22           H        CYS  22   0.789   5.704  -6.004
  184    HA   CYS  22           HA       CYS  22   3.502   6.130  -6.813
  185   1HB   CYS  22          2HB       CYS  22   2.749   5.776  -4.457
  186   2HB   CYS  22          1HB       CYS  22   2.354   4.095  -4.853
  187    H    SER  23           H        SER  23   5.071   4.454  -7.199
  188    HA   SER  23           HA       SER  23   4.150   2.077  -8.683
  189   1HB   SER  23          2HB       SER  23   5.790   4.319  -9.960
  190   2HB   SER  23          1HB       SER  23   5.475   2.734 -10.701
  191    HG   SER  23           HG       SER  23   3.473   4.620  -9.914
  192    H    GLY  24           H        GLY  24   5.898   0.765  -9.435
  193   1HA   GLY  24          2HA       GLY  24   8.515   0.581  -9.084
  194   2HA   GLY  24          1HA       GLY  24   8.008   0.531  -7.380
  195    H    ASP  25           H        ASP  25   9.284  -1.573  -7.924
  196    HA   ASP  25           HA       ASP  25   8.016  -3.811  -9.108
  197   1HB   ASP  25          2HB       ASP  25   9.882  -3.725  -6.683
  198   2HB   ASP  25          1HB       ASP  25   9.512  -5.164  -7.654
  199    H    ILE  26           H        ILE  26   7.995  -2.622  -5.789
  200    HA   ILE  26           HA       ILE  26   6.281  -4.554  -4.615
  201    HB   ILE  26           HB       ILE  26   6.609  -1.635  -3.822
  202   1HG1  ILE  26          2HG1      ILE  26   8.834  -2.598  -4.047
  203   2HG1  ILE  26          1HG1      ILE  26   8.441  -2.303  -2.356
  204   1HG2  ILE  26          1HG2      ILE  26   5.835  -4.072  -2.167
  205   2HG2  ILE  26          3HG2      ILE  26   6.127  -2.440  -1.525
  206   3HG2  ILE  26          2HG2      ILE  26   4.774  -2.726  -2.637
  207   1HD1  ILE  26          2HD1      ILE  26   7.958  -4.729  -2.040
  208   2HD1  ILE  26          1HD1      ILE  26   8.345  -5.021  -3.753
  209   3HD1  ILE  26          3HD1      ILE  26   9.613  -4.463  -2.636
  210    H    ALA  27           H        ALA  27   5.610  -1.314  -5.906
  211    HA   ALA  27           HA       ALA  27   2.871  -1.108  -5.378
  212   1HB   ALA  27          2HB       ALA  27   4.247   0.771  -6.203
  213   2HB   ALA  27          1HB       ALA  27   4.420  -0.038  -7.778
  214   3HB   ALA  27          3HB       ALA  27   2.824   0.534  -7.244
  215    H    THR  28           H        THR  28   4.481  -2.426  -8.242
  216    HA   THR  28           HA       THR  28   2.222  -3.106  -9.792
  217    HB   THR  28           HB       THR  28   4.981  -4.396  -9.656
  218    HG1  THR  28           HG1      THR  28   5.322  -3.011 -11.476
  219   1HG2  THR  28          1HG2      THR  28   2.893  -4.603 -11.876
  220   2HG2  THR  28          3HG2      THR  28   4.561  -5.213 -11.953
  221   3HG2  THR  28          2HG2      THR  28   3.407  -5.931 -10.810
  222    H    TYR  29           H        TYR  29   4.050  -5.031  -7.439
  223    HA   TYR  29           HA       TYR  29   2.690  -7.480  -7.686
  224   1HB   TYR  29          2HB       TYR  29   4.800  -7.268  -6.487
  225   2HB   TYR  29          1HB       TYR  29   4.059  -6.226  -5.272
  226    HD1  TYR  29          1HD       TYR  29   2.135  -7.238  -3.831
  227    HD2  TYR  29          2HD       TYR  29   4.887  -9.589  -6.148
  228    HE1  TYR  29          1HE       TYR  29   1.563  -9.226  -2.497
  229    HE2  TYR  29          2HE       TYR  29   4.318 -11.577  -4.793
  230    HH   TYR  29           HH       TYR  29   3.086 -12.396  -3.104
  231    H    ILE  30           H        ILE  30   2.154  -4.938  -5.265
  232    HA   ILE  30           HA       ILE  30  -0.069  -5.945  -3.923
  233    HB   ILE  30           HB       ILE  30   0.664  -3.066  -4.592
  234   1HG1  ILE  30          2HG1      ILE  30   1.197  -4.604  -2.027
  235   2HG1  ILE  30          1HG1      ILE  30   2.384  -4.419  -3.323
  236   1HG2  ILE  30          1HG2      ILE  30  -1.275  -4.070  -2.466
  237   2HG2  ILE  30          3HG2      ILE  30  -0.719  -2.390  -2.639
  238   3HG2  ILE  30          2HG2      ILE  30  -1.694  -3.133  -3.919
  239   1HD1  ILE  30          2HD1      ILE  30   2.290  -1.943  -3.051
  240   2HD1  ILE  30          1HD1      ILE  30   1.119  -2.137  -1.724
  241   3HD1  ILE  30          3HD1      ILE  30   2.776  -2.749  -1.543
  242    H    LYS  31           H        LYS  31   0.040  -3.900  -6.793
  243    HA   LYS  31           HA       LYS  31  -2.691  -3.373  -7.169
  244   1HB   LYS  31          2HB       LYS  31  -0.724  -2.305  -8.367
  245   2HB   LYS  31          1HB       LYS  31  -0.592  -3.768  -9.345
  246   1HG   LYS  31          2HG       LYS  31  -1.793  -2.044 -10.584
  247   2HG   LYS  31          1HG       LYS  31  -2.873  -3.400 -10.234
  248   1HD   LYS  31          2HD       LYS  31  -4.032  -1.260  -9.912
  249   2HD   LYS  31          1HD       LYS  31  -3.901  -2.127  -8.377
  250   1HE   LYS  31          2HE       LYS  31  -1.971  -0.672  -7.733
  251   2HE   LYS  31          1HE       LYS  31  -2.130   0.201  -9.273
  252   1HZ   LYS  31          1HZ       LYS  31  -4.214  -0.027  -7.179
  253   2HZ   LYS  31          3HZ       LYS  31  -3.250   1.338  -7.479
  254   3HZ   LYS  31          2HZ       LYS  31  -4.365   0.812  -8.649
  255    H    ARG  32           H        ARG  32  -0.695  -6.041  -8.366
  256    HA   ARG  32           HA       ARG  32  -2.667  -7.411  -9.882
  257   1HB   ARG  32          2HB       ARG  32  -0.218  -7.861 -10.028
  258   2HB   ARG  32          1HB       ARG  32  -0.267  -8.590  -8.412
  259   1HG   ARG  32          2HG       ARG  32  -1.882 -10.299  -9.243
  260   2HG   ARG  32          1HG       ARG  32  -1.788  -9.584 -10.861
  261   1HD   ARG  32          2HD       ARG  32   0.640 -10.142 -10.955
  262   2HD   ARG  32          1HD       ARG  32   0.521 -10.872  -9.332
  263    HE   ARG  32           HE       ARG  32  -1.450 -12.018 -11.050
  264   1HH1  ARG  32          2HH2      ARG  32   2.018 -11.990 -10.503
  265   2HH1  ARG  32          1HH2      ARG  32   2.249 -13.586 -11.140
  266   1HH2  ARG  32          2HH1      ARG  32  -1.129 -14.105 -11.874
  267   2HH2  ARG  32          1HH1      ARG  32   0.466 -14.783 -11.917
  268    H    GLU  33           H        GLU  33  -1.754  -7.642  -6.456
  269    HA   GLU  33           HA       GLU  33  -3.080 -10.022  -5.780
  270   1HB   GLU  33          2HB       GLU  33  -2.846  -7.601  -3.949
  271   2HB   GLU  33          1HB       GLU  33  -3.025  -9.301  -3.500
  272   1HG   GLU  33          2HG       GLU  33  -0.581  -8.002  -4.742
  273   2HG   GLU  33          1HG       GLU  33  -0.736  -8.594  -3.095
  274    H    CYS  34           H        CYS  34  -4.276  -6.711  -5.273
  275    HA   CYS  34           HA       CYS  34  -6.947  -7.415  -4.581
  276   1HB   CYS  34          2HB       CYS  34  -6.107  -5.244  -3.965
  277   2HB   CYS  34          1HB       CYS  34  -5.720  -4.840  -5.650
  278    H    GLY  35           H        GLY  35  -5.612  -6.096  -7.590
  279   1HA   GLY  35          2HA       GLY  35  -8.026  -5.906  -9.041
  280   2HA   GLY  35          1HA       GLY  35  -6.405  -5.901  -9.748
  281    H    LYS  36           H        LYS  36  -5.369  -8.180  -9.656
  282    HA   LYS  36           HA       LYS  36  -6.905  -9.951 -11.306
  283   1HB   LYS  36          2HB       LYS  36  -4.361  -9.573 -11.305
  284   2HB   LYS  36          1HB       LYS  36  -4.296 -10.637  -9.900
  285   1HG   LYS  36          2HG       LYS  36  -5.457 -11.443 -12.595
  286   2HG   LYS  36          1HG       LYS  36  -3.787 -11.740 -12.113
  287   1HD   LYS  36          2HD       LYS  36  -6.251 -12.894 -10.724
  288   2HD   LYS  36          1HD       LYS  36  -5.231 -13.742 -11.884
  289   1HE   LYS  36          2HE       LYS  36  -4.247 -12.683  -9.190
  290   2HE   LYS  36          1HE       LYS  36  -4.702 -14.367  -9.529
  291   1HZ   LYS  36          1HZ       LYS  36  -2.580 -12.830 -10.908
  292   2HZ   LYS  36          3HZ       LYS  36  -2.334 -14.013  -9.714
  293   3HZ   LYS  36          2HZ       LYS  36  -3.001 -14.446 -11.214
  294    H    LEU  37           H        LEU  37  -8.708 -10.404 -10.129
  295    HA   LEU  37           HA       LEU  37  -8.664 -12.819  -8.603
  296   1HB   LEU  37          2HB       LEU  37  -7.994 -11.227  -6.802
  297   2HB   LEU  37          1HB       LEU  37  -9.439 -10.271  -7.108
  298    HG   LEU  37           HG       LEU  37  -9.458 -11.804  -5.085
  299   1HD1  LEU  37          2HD1      LEU  37 -11.558 -10.856  -5.920
  300   2HD1  LEU  37          1HD1      LEU  37 -11.754 -12.215  -7.046
  301   3HD1  LEU  37          3HD1      LEU  37 -11.796 -12.501  -5.299
  302   1HD2  LEU  37          1HD2      LEU  37  -8.402 -13.771  -6.013
  303   2HD2  LEU  37          3HD2      LEU  37 -10.029 -14.177  -5.417
  304   3HD2  LEU  37          2HD2      LEU  37  -9.743 -13.999  -7.159
  305   1H    TRP   1          1H        TRP   1 -11.951   1.743   9.204
  306   2H    TRP   1          3H        TRP   1 -13.294   1.501   8.192
  307   3H    TRP   1          2H        TRP   1 -13.276   0.836   9.755
  308    HA   TRP   1           HA       TRP   1 -12.858  -0.850   8.105
  309   1HB   TRP   1          2HB       TRP   1 -11.891   0.768   6.446
  310   2HB   TRP   1          1HB       TRP   1 -10.431   0.900   7.450
  311    HD1  TRP   1          1HD       TRP   1 -12.466  -2.162   5.847
  312    HE1  TRP   1          1HE       TRP   1 -10.811  -3.826   4.922
  313    HE3  TRP   1          3HE       TRP   1  -8.169   0.283   7.134
  314    HZ2  TRP   1          2HZ       TRP   1  -7.984  -4.073   4.768
  315    HZ3  TRP   1          3HZ       TRP   1  -5.993  -0.711   6.524
  316    HH2  TRP   1          2HH       TRP   1  -5.893  -2.910   5.413
  317    H    SER   2           H        SER   2 -11.101  -2.479   8.340
  318    HA   SER   2           HA       SER   2 -10.564  -2.832  11.127
  319   1HB   SER   2          2HB       SER   2 -11.108  -4.712   9.613
  320   2HB   SER   2          1HB       SER   2  -9.578  -4.457   8.741
  321    HG   SER   2           HG       SER   2  -9.458  -6.093  10.428
  322    H    THR   3           H        THR   3  -8.915  -2.377  12.289
  323    HA   THR   3           HA       THR   3  -6.557  -1.024  11.342
  324    HB   THR   3           HB       THR   3  -7.216  -2.243  14.059
  325    HG1  THR   3           HG1      THR   3  -7.459   0.410  13.040
  326   1HG2  THR   3          1HG2      THR   3  -5.072  -0.190  13.337
  327   2HG2  THR   3          3HG2      THR   3  -5.501  -0.716  14.981
  328   3HG2  THR   3          2HG2      THR   3  -4.770  -1.870  13.845
  329    H    ILE   4           H        ILE   4  -7.173  -4.240  12.696
  330    HA   ILE   4           HA       ILE   4  -4.544  -5.221  12.785
  331    HB   ILE   4           HB       ILE   4  -7.216  -6.611  12.497
  332   1HG1  ILE   4          2HG1      ILE   4  -6.795  -7.336  14.848
  333   2HG1  ILE   4          1HG1      ILE   4  -5.338  -6.337  14.868
  334   1HG2  ILE   4          1HG2      ILE   4  -4.533  -7.976  12.928
  335   2HG2  ILE   4          3HG2      ILE   4  -6.124  -8.752  13.100
  336   3HG2  ILE   4          2HG2      ILE   4  -5.600  -8.150  11.517
  337   1HD1  ILE   4          1HD1      ILE   4  -8.183  -5.292  14.501
  338   2HD1  ILE   4          3HD1      ILE   4  -7.234  -5.232  16.002
  339   3HD1  ILE   4          2HD1      ILE   4  -6.708  -4.296  14.596
  340    H    VAL   5           H        VAL   5  -6.973  -5.610  10.220
  341    HA   VAL   5           HA       VAL   5  -5.417  -7.036   8.355
  342    HB   VAL   5           HB       VAL   5  -7.612  -4.990   7.851
  343   1HG1  VAL   5          1HG1      VAL   5  -6.491  -7.117   5.975
  344   2HG1  VAL   5          3HG1      VAL   5  -7.915  -6.107   5.658
  345   3HG1  VAL   5          2HG1      VAL   5  -6.312  -5.360   5.785
  346   1HG2  VAL   5          1HG2      VAL   5  -8.348  -6.887   9.260
  347   2HG2  VAL   5          3HG2      VAL   5  -9.095  -6.962   7.650
  348   3HG2  VAL   5          2HG2      VAL   5  -7.732  -8.031   8.052
  349    H    LYS   6           H        LYS   6  -5.667  -3.542   8.925
  350    HA   LYS   6           HA       LYS   6  -4.051  -2.665   6.780
  351   1HB   LYS   6          2HB       LYS   6  -5.441  -1.193   8.391
  352   2HB   LYS   6          1HB       LYS   6  -4.049  -1.291   9.483
  353   1HG   LYS   6          2HG       LYS   6  -2.560  -0.349   7.819
  354   2HG   LYS   6          1HG       LYS   6  -3.819  -0.398   6.580
  355   1HD   LYS   6          2HD       LYS   6  -5.133   1.279   7.934
  356   2HD   LYS   6          1HD       LYS   6  -3.750   1.394   9.043
  357   1HE   LYS   6          2HE       LYS   6  -3.662   2.006   6.049
  358   2HE   LYS   6          1HE       LYS   6  -3.741   3.224   7.336
  359   1HZ   LYS   6          1HZ       LYS   6  -1.593   1.211   6.966
  360   2HZ   LYS   6          3HZ       LYS   6  -1.486   2.863   6.584
  361   3HZ   LYS   6          2HZ       LYS   6  -1.660   2.375   8.200
  362    H    LEU   7           H        LEU   7  -3.168  -3.668  10.066
  363    HA   LEU   7           HA       LEU   7  -0.398  -3.109   9.972
  364   1HB   LEU   7          2HB       LEU   7  -1.809  -5.355  11.472
  365   2HB   LEU   7          1HB       LEU   7  -0.173  -4.774  11.783
  366    HG   LEU   7           HG       LEU   7  -2.728  -3.167  12.115
  367   1HD1  LEU   7          2HD1      LEU   7  -2.507  -4.870  13.848
  368   2HD1  LEU   7          1HD1      LEU   7  -0.851  -4.326  14.206
  369   3HD1  LEU   7          3HD1      LEU   7  -2.232  -3.254  14.536
  370   1HD2  LEU   7          2HD2      LEU   7   0.136  -2.345  12.726
  371   2HD2  LEU   7          1HD2      LEU   7  -0.907  -1.673  11.451
  372   3HD2  LEU   7          3HD2      LEU   7  -1.324  -1.425  13.158
  373    H    THR   8           H        THR   8  -2.233  -5.884   8.837
  374    HA   THR   8           HA       THR   8  -0.116  -7.675   8.275
  375    HB   THR   8           HB       THR   8  -2.733  -7.368   6.731
  376    HG1  THR   8           HG1      THR   8  -3.051  -7.595   9.005
  377   1HG2  THR   8          1HG2      THR   8  -0.941  -9.801   7.144
  378   2HG2  THR   8          3HG2      THR   8  -2.514  -9.794   6.313
  379   3HG2  THR   8          2HG2      THR   8  -1.143  -8.900   5.624
  380    H    ILE   9           H        ILE   9  -1.720  -5.291   6.186
  381    HA   ILE   9           HA       ILE   9   0.034  -5.754   3.946
  382    HB   ILE   9           HB       ILE   9  -2.253  -5.124   3.580
  383   1HG1  ILE   9          2HG1      ILE   9  -2.010  -3.318   1.930
  384   2HG1  ILE   9          1HG1      ILE   9  -0.418  -2.925   2.583
  385   1HG2  ILE   9          1HG2      ILE   9  -1.645  -2.460   4.906
  386   2HG2  ILE   9          3HG2      ILE   9  -3.127  -2.848   4.001
  387   3HG2  ILE   9          2HG2      ILE   9  -2.746  -3.733   5.490
  388   1HD1  ILE   9          1HD1      ILE   9  -1.209  -5.579   1.307
  389   2HD1  ILE   9          3HD1      ILE   9  -0.233  -4.303   0.535
  390   3HD1  ILE   9          2HD1      ILE   9   0.407  -5.187   1.939
  391    H    CYS  10           H        CYS  10   0.114  -3.590   6.643
  392    HA   CYS  10           HA       CYS  10   1.433  -1.338   5.817
  393   1HB   CYS  10          2HB       CYS  10   1.549  -2.881   8.396
  394   2HB   CYS  10          1HB       CYS  10   2.606  -1.488   8.167
  395    HA   PRO  11           HA       PRO  11   5.882  -3.302   6.467
  396   1HB   PRO  11          2HB       PRO  11   6.017  -5.999   5.757
  397   2HB   PRO  11          1HB       PRO  11   5.913  -5.385   7.437
  398   1HG   PRO  11          1HG       PRO  11   3.662  -6.320   5.607
  399   2HG   PRO  11          2HG       PRO  11   3.986  -6.771   7.316
  400   1HD   PRO  11          1HD       PRO  11   2.164  -4.899   6.806
  401   2HD   PRO  11          2HD       PRO  11   3.347  -4.602   8.124
  402    H    THR  12           H        THR  12   3.807  -4.900   4.064
  403    HA   THR  12           HA       THR  12   5.533  -4.831   1.827
  404    HB   THR  12           HB       THR  12   2.495  -4.510   1.789
  405    HG1  THR  12           HG1      THR  12   2.520  -6.821   1.726
  406   1HG2  THR  12          2HG2      THR  12   3.584  -4.187  -0.421
  407   2HG2  THR  12          1HG2      THR  12   4.403  -5.754  -0.246
  408   3HG2  THR  12          3HG2      THR  12   2.630  -5.687  -0.379
  409    H    LEU  13           H        LEU  13   3.137  -2.500   2.985
  410    HA   LEU  13           HA       LEU  13   3.363  -0.555   0.949
  411   1HB   LEU  13          2HB       LEU  13   2.625  -0.117   3.875
  412   2HB   LEU  13          1HB       LEU  13   2.318   1.000   2.543
  413    HG   LEU  13           HG       LEU  13   1.154  -1.782   2.826
  414   1HD1  LEU  13          2HD1      LEU  13   0.175  -0.243   4.454
  415   2HD1  LEU  13          1HD1      LEU  13  -0.170   0.936   3.169
  416   3HD1  LEU  13          3HD1      LEU  13  -1.012  -0.631   3.191
  417   1HD2  LEU  13          1HD2      LEU  13   1.435  -1.229   0.456
  418   2HD2  LEU  13          3HD2      LEU  13  -0.283  -1.212   0.893
  419   3HD2  LEU  13          2HD2      LEU  13   0.597   0.322   0.697
  420    H    LYS  14           H        LYS  14   5.396  -1.124   3.753
  421    HA   LYS  14           HA       LYS  14   6.759   1.359   3.886
  422   1HB   LYS  14          2HB       LYS  14   8.045  -1.375   4.313
  423   2HB   LYS  14          1HB       LYS  14   8.567   0.171   4.982
  424   1HG   LYS  14          2HG       LYS  14   6.050  -1.355   5.713
  425   2HG   LYS  14          1HG       LYS  14   7.503  -1.186   6.698
  426   1HD   LYS  14          2HD       LYS  14   7.097   1.251   6.888
  427   2HD   LYS  14          1HD       LYS  14   5.630   1.086   5.906
  428   1HE   LYS  14          2HE       LYS  14   4.631  -0.400   7.623
  429   2HE   LYS  14          1HE       LYS  14   6.102  -0.250   8.612
  430   1HZ   LYS  14          2HZ       LYS  14   5.735   2.116   8.735
  431   2HZ   LYS  14          1HZ       LYS  14   4.322   1.974   7.801
  432   3HZ   LYS  14          3HZ       LYS  14   4.398   1.260   9.340
  433    H    SER  15           H        SER  15   7.566  -1.612   2.152
  434    HA   SER  15           HA       SER  15   9.889  -0.758   0.805
  435   1HB   SER  15          2HB       SER  15   7.840  -2.840  -0.094
  436   2HB   SER  15          1HB       SER  15   9.524  -2.704  -0.652
  437    HG   SER  15           HG       SER  15   8.699  -3.187   2.041
  438    H    MET  16           H        MET  16   6.499  -0.732  -0.234
  439    HA   MET  16           HA       MET  16   6.833   0.320  -2.844
  440   1HB   MET  16          2HB       MET  16   4.715  -0.684  -1.921
  441   2HB   MET  16          1HB       MET  16   4.502   0.759  -0.924
  442   1HG   MET  16          2HG       MET  16   4.369   2.154  -2.981
  443   2HG   MET  16          1HG       MET  16   4.593   0.706  -3.975
  444   1HE   MET  16          1HE       MET  16   2.210   2.703  -1.569
  445   2HE   MET  16          3HE       MET  16   0.846   1.580  -1.363
  446   3HE   MET  16          2HE       MET  16   2.432   1.193  -0.656
  447    H    ALA  17           H        ALA  17   6.352   1.881   0.262
  448    HA   ALA  17           HA       ALA  17   5.817   4.524  -0.458
  449   1HB   ALA  17          1HB       ALA  17   7.286   3.496   2.004
  450   2HB   ALA  17          3HB       ALA  17   6.585   5.114   1.823
  451   3HB   ALA  17          2HB       ALA  17   5.525   3.688   1.823
  452    H    LYS  18           H        LYS  18   8.889   2.878  -0.230
  453    HA   LYS  18           HA       LYS  18  10.792   4.863  -0.094
  454   1HB   LYS  18          2HB       LYS  18  10.834   2.463  -1.981
  455   2HB   LYS  18          1HB       LYS  18  12.245   3.385  -1.452
  456   1HG   LYS  18          2HG       LYS  18  10.431   1.721   0.345
  457   2HG   LYS  18          1HG       LYS  18  12.031   1.247  -0.238
  458   1HD   LYS  18          2HD       LYS  18  13.009   3.212   0.991
  459   2HD   LYS  18          1HD       LYS  18  11.400   3.564   1.643
  460   1HE   LYS  18          2HE       LYS  18  12.978   0.989   2.109
  461   2HE   LYS  18          1HE       LYS  18  12.778   2.312   3.278
  462   1HZ   LYS  18          1HZ       LYS  18  10.596   0.685   2.108
  463   2HZ   LYS  18          3HZ       LYS  18  11.225   0.525   3.677
  464   3HZ   LYS  18          2HZ       LYS  18  10.407   1.944   3.228
  465    H    LYS  19           H        LYS  19   9.277   3.680  -3.097
  466    HA   LYS  19           HA       LYS  19  10.125   6.173  -4.501
  467   1HB   LYS  19          2HB       LYS  19  11.010   3.991  -5.333
  468   2HB   LYS  19          1HB       LYS  19   9.354   3.477  -5.698
  469   1HG   LYS  19          2HG       LYS  19   9.154   5.486  -7.240
  470   2HG   LYS  19          1HG       LYS  19  10.859   5.826  -6.935
  471   1HD   LYS  19          2HD       LYS  19   9.817   3.245  -8.177
  472   2HD   LYS  19          1HD       LYS  19  10.369   4.642  -9.104
  473   1HE   LYS  19          2HE       LYS  19  12.179   3.073  -9.085
  474   2HE   LYS  19          1HE       LYS  19  12.641   4.384  -7.982
  475   1HZ   LYS  19          1HZ       LYS  19  11.454   1.796  -7.173
  476   2HZ   LYS  19          3HZ       LYS  19  13.097   2.210  -7.067
  477   3HZ   LYS  19          2HZ       LYS  19  11.954   3.039  -6.130
  478    H    CYS  20           H        CYS  20   8.113   6.750  -3.024
  479    HA   CYS  20           HA       CYS  20   5.734   6.771  -4.825
  480   1HB   CYS  20          2HB       CYS  20   5.815   6.856  -1.786
  481   2HB   CYS  20          1HB       CYS  20   4.361   7.149  -2.749
  482    H    GLU  21           H        GLU  21   4.242   8.649  -3.753
  483    HA   GLU  21           HA       GLU  21   5.163  10.995  -5.009
  484   1HB   GLU  21          2HB       GLU  21   2.920  10.494  -3.023
  485   2HB   GLU  21          1HB       GLU  21   3.134  12.040  -3.841
  486   1HG   GLU  21          2HG       GLU  21   1.388  10.808  -4.964
  487   2HG   GLU  21          1HG       GLU  21   2.787  10.910  -6.042
  488    H    GLY  22           H        GLY  22   4.785  13.151  -3.811
  489   1HA   GLY  22          2HA       GLY  22   7.080  13.812  -2.389
  490   2HA   GLY  22          1HA       GLY  22   5.621  14.811  -2.451
  491    H    SER  23           H        SER  23   3.783  13.433  -1.064
  492    HA   SER  23           HA       SER  23   4.852  12.465   1.475
  493   1HB   SER  23          2HB       SER  23   3.755  14.232   2.847
  494   2HB   SER  23          1HB       SER  23   5.029  14.897   1.805
  495    HG   SER  23           HG       SER  23   2.224  14.921   1.236
  496    H    ILE  24           H        ILE  24   3.181  11.352  -0.553
  497    HA   ILE  24           HA       ILE  24   0.600  10.883   0.730
  498    HB   ILE  24           HB       ILE  24   2.095   9.427  -1.471
  499   1HG1  ILE  24          2HG1      ILE  24   1.346  11.643  -2.150
  500   2HG1  ILE  24          1HG1      ILE  24   0.434  10.385  -2.995
  501   1HG2  ILE  24          1HG2      ILE  24  -0.719   8.876  -0.474
  502   2HG2  ILE  24          3HG2      ILE  24  -0.001   8.198  -1.957
  503   3HG2  ILE  24          2HG2      ILE  24   0.680   7.785  -0.368
  504   1HD1  ILE  24          2HD1      ILE  24  -1.488  10.744  -1.451
  505   2HD1  ILE  24          1HD1      ILE  24  -0.566  12.014  -0.609
  506   3HD1  ILE  24          3HD1      ILE  24  -1.041  12.236  -2.307
  507    H    ALA  25           H        ALA  25   3.619   9.124   0.290
  508    HA   ALA  25           HA       ALA  25   3.317   6.880   1.877
  509   1HB   ALA  25          1HB       ALA  25   5.784   8.648   1.560
  510   2HB   ALA  25          3HB       ALA  25   5.790   6.977   2.162
  511   3HB   ALA  25          2HB       ALA  25   5.299   7.315   0.485
  512    H    THR  26           H        THR  26   3.922  10.180   2.901
  513    HA   THR  26           HA       THR  26   4.690   9.894   5.569
  514    HB   THR  26           HB       THR  26   2.820  11.973   4.339
  515    HG1  THR  26           HG1      THR  26   5.659  11.914   4.648
  516   1HG2  THR  26          1HG2      THR  26   4.557  12.174   6.843
  517   2HG2  THR  26          3HG2      THR  26   3.624  13.500   6.111
  518   3HG2  THR  26          2HG2      THR  26   2.778  12.106   6.817
  519    H    MET  27           H        MET  27   1.392  10.167   4.277
  520    HA   MET  27           HA       MET  27  -0.022   9.770   6.701
  521   1HB   MET  27          2HB       MET  27  -0.823   9.314   3.806
  522   2HB   MET  27          1HB       MET  27  -1.939   9.089   5.160
  523   1HG   MET  27          2HG       MET  27  -2.262  11.296   4.171
  524   2HG   MET  27          1HG       MET  27  -1.641  11.452   5.819
  525   1HE   MET  27          1HE       MET  27  -1.061  13.996   5.377
  526   2HE   MET  27          3HE       MET  27  -0.088  14.565   4.000
  527   3HE   MET  27          2HE       MET  27  -1.691  13.846   3.718
  528    H    ILE  28           H        ILE  28   1.054   7.471   4.237
  529    HA   ILE  28           HA       ILE  28  -0.219   5.130   5.120
  530    HB   ILE  28           HB       ILE  28   2.608   5.299   4.013
  531   1HG1  ILE  28          2HG1      ILE  28   1.266   6.585   2.508
  532   2HG1  ILE  28          1HG1      ILE  28   1.625   5.033   1.754
  533   1HG2  ILE  28          1HG2      ILE  28   0.563   3.056   3.870
  534   2HG2  ILE  28          3HG2      ILE  28   2.139   3.072   3.047
  535   3HG2  ILE  28          2HG2      ILE  28   2.065   3.067   4.822
  536   1HD1  ILE  28          1HD1      ILE  28  -1.019   5.790   3.082
  537   2HD1  ILE  28          3HD1      ILE  28  -0.696   5.707   1.337
  538   3HD1  ILE  28          2HD1      ILE  28  -0.656   4.222   2.317
  539    H    LYS  29           H        LYS  29   2.929   6.441   6.009
  540    HA   LYS  29           HA       LYS  29   3.738   4.450   7.858
  541   1HB   LYS  29          2HB       LYS  29   5.231   6.170   6.757
  542   2HB   LYS  29          1HB       LYS  29   4.485   7.405   7.761
  543   1HG   LYS  29          2HG       LYS  29   6.672   6.692   8.657
  544   2HG   LYS  29          1HG       LYS  29   5.352   6.412   9.793
  545   1HD   LYS  29          2HD       LYS  29   6.925   4.552   9.841
  546   2HD   LYS  29          1HD       LYS  29   5.357   4.006   9.248
  547   1HE   LYS  29          2HE       LYS  29   7.690   4.690   7.402
  548   2HE   LYS  29          1HE       LYS  29   7.397   3.059   8.043
  549   1HZ   LYS  29          2HZ       LYS  29   5.214   3.110   7.029
  550   2HZ   LYS  29          1HZ       LYS  29   5.517   4.651   6.389
  551   3HZ   LYS  29          3HZ       LYS  29   6.438   3.324   5.872
  552    H    LYS  30           H        LYS  30   2.054   7.525   8.280
  553    HA   LYS  30           HA       LYS  30   2.031   7.770  11.066
  554   1HB   LYS  30          2HB       LYS  30   1.304   9.535   9.483
  555   2HB   LYS  30          1HB       LYS  30  -0.112   8.578   9.049
  556   1HG   LYS  30          2HG       LYS  30  -0.749  10.352  10.594
  557   2HG   LYS  30          1HG       LYS  30  -0.989   8.771  11.347
  558   1HD   LYS  30          2HD       LYS  30  -0.041  10.333  12.965
  559   2HD   LYS  30          1HD       LYS  30   1.129   9.052  12.615
  560   1HE   LYS  30          2HE       LYS  30   2.365  10.581  11.096
  561   2HE   LYS  30          1HE       LYS  30   1.174  11.865  11.417
  562   1HZ   LYS  30          2HZ       LYS  30   1.761  11.768  13.741
  563   2HZ   LYS  30          1HZ       LYS  30   2.898  10.544  13.431
  564   3HZ   LYS  30          3HZ       LYS  30   3.127  12.099  12.786
  565    H    LYS  31           H        LYS  31  -0.429   6.297   8.974
  566    HA   LYS  31           HA       LYS  31  -2.155   5.358  11.043
  567   1HB   LYS  31          2HB       LYS  31  -1.798   4.352   8.195
  568   2HB   LYS  31          1HB       LYS  31  -3.181   3.998   9.248
  569   1HG   LYS  31          2HG       LYS  31  -2.363   6.730   8.166
  570   2HG   LYS  31          1HG       LYS  31  -3.724   5.751   7.608
  571   1HD   LYS  31          2HD       LYS  31  -4.835   6.001   9.794
  572   2HD   LYS  31          1HD       LYS  31  -3.452   6.921  10.415
  573   1HE   LYS  31          2HE       LYS  31  -5.244   7.788   8.097
  574   2HE   LYS  31          1HE       LYS  31  -5.320   8.418   9.760
  575   1HZ   LYS  31          1HZ       LYS  31  -2.976   8.567   7.952
  576   2HZ   LYS  31          3HZ       LYS  31  -4.030   9.845   8.321
  577   3HZ   LYS  31          2HZ       LYS  31  -3.054   9.173   9.536
  578    H    CYS  32           H        CYS  32   0.222   3.642   9.029
  579    HA   CYS  32           HA       CYS  32   0.234   1.173  10.444
  580   1HB   CYS  32          2HB       CYS  32   2.343   2.565   8.739
  581   2HB   CYS  32          1HB       CYS  32   2.547   0.931   9.388
  582    H    ASP  33           H        ASP  33   2.471   0.428  11.382
  583    HA   ASP  33           HA       ASP  33   3.887   2.239  13.107
  584   1HB   ASP  33          2HB       ASP  33   2.980   1.292  15.282
  585   2HB   ASP  33          1HB       ASP  33   1.853   2.324  14.397
  586    H    LYS  34           H        LYS  34   4.922   0.896  14.978
  587    HA   LYS  34           HA       LYS  34   5.705  -1.823  14.319
  588   1HB   LYS  34          2HB       LYS  34   7.001  -0.491  12.668
  589   2HB   LYS  34          1HB       LYS  34   7.673   0.489  13.972
  590   1HG   LYS  34          2HG       LYS  34   9.298  -1.157  13.165
  591   2HG   LYS  34          1HG       LYS  34   8.890  -1.461  14.857
  592   1HD   LYS  34          2HD       LYS  34   7.330  -3.280  14.130
  593   2HD   LYS  34          1HD       LYS  34   7.780  -2.973  12.444
  594   1HE   LYS  34          2HE       LYS  34   9.691  -3.890  14.647
  595   2HE   LYS  34          1HE       LYS  34   8.991  -4.930  13.385
  596   1HZ   LYS  34          1HZ       LYS  34  10.720  -2.568  12.929
  597   2HZ   LYS  34          3HZ       LYS  34  11.201  -4.192  12.810
  598   3HZ   LYS  34          2HZ       LYS  34  10.055  -3.564  11.725
   
  No H/Q in entry =         598
  Start of MODEL          14
 Raw file had  604 H/Q atoms
  Start of MODEL   14
    1   1H    GLY   1          2H        GLY   1   6.162 -15.437   3.304
    2   2H    GLY   1          1H        GLY   1   6.988 -13.960   3.164
    3   3H    GLY   1          3H        GLY   1   7.205 -14.926   4.543
    4   1HA   GLY   1          2HA       GLY   1   4.919 -14.610   5.180
    5   2HA   GLY   1          1HA       GLY   1   5.785 -13.067   5.035
    6    H    VAL   2           H        VAL   2   4.068 -15.346   2.912
    7    HA   VAL   2           HA       VAL   2   3.163 -13.369   1.045
    8    HB   VAL   2           HB       VAL   2   3.528 -15.771   0.550
    9   1HG1  VAL   2          2HG1      VAL   2   2.647 -16.821   2.562
   10   2HG1  VAL   2          1HG1      VAL   2   1.000 -16.283   2.161
   11   3HG1  VAL   2          3HG1      VAL   2   1.827 -17.470   1.125
   12   1HG2  VAL   2          1HG2      VAL   2   2.193 -14.467  -1.015
   13   2HG2  VAL   2          3HG2      VAL   2   1.590 -16.137  -0.920
   14   3HG2  VAL   2          2HG2      VAL   2   0.709 -14.834  -0.100
   15    H    ILE   3           H        ILE   3   0.996 -12.814   0.578
   16    HA   ILE   3           HA       ILE   3  -0.825 -12.671   2.933
   17    HB   ILE   3           HB       ILE   3  -0.381 -10.773   0.609
   18   1HG1  ILE   3          2HG1      ILE   3   0.023 -10.409   3.602
   19   2HG1  ILE   3          1HG1      ILE   3   1.301 -10.665   2.410
   20   1HG2  ILE   3          2HG2      ILE   3  -2.797 -10.838   1.076
   21   2HG2  ILE   3          1HG2      ILE   3  -2.479 -10.544   2.802
   22   3HG2  ILE   3          3HG2      ILE   3  -2.106  -9.293   1.599
   23   1HD1  ILE   3          2HD1      ILE   3   0.733  -8.512   1.317
   24   2HD1  ILE   3          1HD1      ILE   3  -0.553  -8.240   2.516
   25   3HD1  ILE   3          3HD1      ILE   3   1.146  -8.290   3.030
   26    HA   PRO   4           HA       PRO   4  -3.479 -15.151   0.327
   27   1HB   PRO   4          2HB       PRO   4  -5.688 -15.263   1.889
   28   2HB   PRO   4          1HB       PRO   4  -4.137 -15.967   2.456
   29   1HG   PRO   4          1HG       PRO   4  -5.281 -13.197   3.037
   30   2HG   PRO   4          2HG       PRO   4  -4.731 -14.436   4.218
   31   1HD   PRO   4          1HD       PRO   4  -3.068 -12.433   3.392
   32   2HD   PRO   4          2HD       PRO   4  -2.443 -14.091   3.694
   33    H    LYS   5           H        LYS   5  -5.671 -15.152  -0.580
   34    HA   LYS   5           HA       LYS   5  -6.232 -12.970  -2.229
   35   1HB   LYS   5          2HB       LYS   5  -6.984 -15.307  -2.623
   36   2HB   LYS   5          1HB       LYS   5  -8.110 -15.175  -1.264
   37   1HG   LYS   5          2HG       LYS   5  -9.279 -13.302  -2.487
   38   2HG   LYS   5          1HG       LYS   5  -8.190 -13.575  -3.856
   39   1HD   LYS   5          2HD       LYS   5 -10.331 -14.657  -4.286
   40   2HD   LYS   5          1HD       LYS   5  -9.081 -15.893  -4.080
   41   1HE   LYS   5          2HE       LYS   5 -11.189 -16.523  -2.929
   42   2HE   LYS   5          1HE       LYS   5  -9.861 -16.324  -1.765
   43   1HZ   LYS   5          1HZ       LYS   5 -11.927 -14.301  -2.418
   44   2HZ   LYS   5          3HZ       LYS   5 -11.871 -15.253  -1.013
   45   3HZ   LYS   5          2HZ       LYS   5 -10.657 -14.102  -1.308
   46    H    LYS   6           H        LYS   6  -7.899 -14.004   0.716
   47    HA   LYS   6           HA       LYS   6 -10.027 -12.202   0.788
   48   1HB   LYS   6          2HB       LYS   6  -9.494 -14.260   2.264
   49   2HB   LYS   6          1HB       LYS   6  -8.516 -13.173   3.250
   50   1HG   LYS   6          2HG       LYS   6 -11.503 -12.894   2.724
   51   2HG   LYS   6          1HG       LYS   6 -10.775 -13.561   4.186
   52   1HD   LYS   6          2HD       LYS   6  -9.703 -11.311   4.612
   53   2HD   LYS   6          1HD       LYS   6 -10.606 -10.681   3.220
   54   1HE   LYS   6          2HE       LYS   6 -12.749 -11.263   4.307
   55   2HE   LYS   6          1HE       LYS   6 -11.864 -11.896   5.715
   56   1HZ   LYS   6          2HZ       LYS   6 -10.907  -9.715   6.037
   57   2HZ   LYS   6          1HZ       LYS   6 -11.764  -9.115   4.699
   58   3HZ   LYS   6          3HZ       LYS   6 -12.605  -9.647   6.075
   59    H    ILE   7           H        ILE   7  -6.891 -11.906   2.459
   60    HA   ILE   7           HA       ILE   7  -7.275  -9.351   3.575
   61    HB   ILE   7           HB       ILE   7  -4.739 -10.808   2.784
   62   1HG1  ILE   7          2HG1      ILE   7  -6.075 -11.978   4.469
   63   2HG1  ILE   7          1HG1      ILE   7  -4.546 -11.399   5.143
   64   1HG2  ILE   7          1HG2      ILE   7  -4.969  -8.308   4.507
   65   2HG2  ILE   7          3HG2      ILE   7  -3.507  -9.305   4.333
   66   3HG2  ILE   7          2HG2      ILE   7  -4.164  -8.443   2.928
   67   1HD1  ILE   7          2HD1      ILE   7  -5.753  -9.500   6.219
   68   2HD1  ILE   7          1HD1      ILE   7  -7.286 -10.097   5.539
   69   3HD1  ILE   7          3HD1      ILE   7  -6.403 -11.072   6.734
   70    H    TRP   8           H        TRP   8  -5.821 -10.225   0.444
   71    HA   TRP   8           HA       TRP   8  -4.997  -7.663  -0.361
   72   1HB   TRP   8          2HB       TRP   8  -5.874 -10.110  -1.932
   73   2HB   TRP   8          1HB       TRP   8  -5.399  -8.609  -2.753
   74    HD1  TRP   8          1HD       TRP   8  -3.758 -11.765  -1.974
   75    HE1  TRP   8          1HE       TRP   8  -1.271 -11.551  -1.626
   76    HE3  TRP   8          3HE       TRP   8  -3.520  -6.690  -1.309
   77    HZ2  TRP   8          2HZ       TRP   8   0.577  -9.472  -1.112
   78    HZ3  TRP   8          3HZ       TRP   8  -1.324  -5.636  -0.917
   79    HH2  TRP   8          2HH       TRP   8   0.723  -7.022  -0.824
   80    H    GLU   9           H        GLU   9  -8.116  -9.237  -0.881
   81    HA   GLU   9           HA       GLU   9  -9.335  -7.053  -2.262
   82   1HB   GLU   9          2HB       GLU   9 -10.310  -9.595  -0.996
   83   2HB   GLU   9          1HB       GLU   9 -11.487  -8.350  -1.427
   84   1HG   GLU   9          2HG       GLU   9 -11.225 -10.044  -3.220
   85   2HG   GLU   9          1HG       GLU   9 -10.796  -8.421  -3.773
   86    H    THR  10           H        THR  10  -9.088  -7.869   1.135
   87    HA   THR  10           HA       THR  10 -10.992  -6.023   2.181
   88    HB   THR  10           HB       THR  10  -8.463  -7.200   3.412
   89    HG1  THR  10           HG1      THR  10 -10.162  -8.665   2.771
   90   1HG2  THR  10          1HG2      THR  10 -10.801  -5.837   4.823
   91   2HG2  THR  10          3HG2      THR  10  -9.455  -6.691   5.614
   92   3HG2  THR  10          2HG2      THR  10  -9.142  -5.202   4.697
   93    H    VAL  11           H        VAL  11  -7.505  -5.776   1.621
   94    HA   VAL  11           HA       VAL  11  -7.309  -3.045   2.533
   95    HB   VAL  11           HB       VAL  11  -5.008  -3.101   1.819
   96   1HG1  VAL  11          1HG1      VAL  11  -5.831  -5.630   3.293
   97   2HG1  VAL  11          3HG1      VAL  11  -4.190  -4.948   3.258
   98   3HG1  VAL  11          2HG1      VAL  11  -5.519  -4.031   4.002
   99   1HG2  VAL  11          1HG2      VAL  11  -5.142  -4.350  -0.275
  100   2HG2  VAL  11          3HG2      VAL  11  -3.953  -5.094   0.815
  101   3HG2  VAL  11          2HG2      VAL  11  -5.556  -5.834   0.614
  102    H    CYS  12           H        CYS  12  -7.970  -4.505  -0.537
  103    HA   CYS  12           HA       CYS  12  -7.082  -2.974  -2.526
  104   1HB   CYS  12          2HB       CYS  12  -9.843  -4.049  -2.052
  105   2HB   CYS  12          1HB       CYS  12  -9.575  -3.009  -3.444
  106    HA   PRO  13           HA       PRO  13 -10.123   0.741  -2.165
  107   1HB   PRO  13          2HB       PRO  13 -11.697   1.026   0.061
  108   2HB   PRO  13          1HB       PRO  13 -12.191   0.031  -1.345
  109   1HG   PRO  13          1HG       PRO  13 -10.839  -0.880   1.238
  110   2HG   PRO  13          2HG       PRO  13 -12.318  -1.531   0.457
  111   1HD   PRO  13          1HD       PRO  13  -9.928  -2.715   0.039
  112   2HD   PRO  13          2HD       PRO  13 -11.099  -2.534  -1.309
  113    H    THR  14           H        THR  14  -8.973  -0.278   1.036
  114    HA   THR  14           HA       THR  14  -8.487   2.240   2.197
  115    HB   THR  14           HB       THR  14  -7.002  -0.386   2.672
  116    HG1  THR  14           HG1      THR  14  -8.591  -0.589   4.355
  117   1HG2  THR  14          1HG2      THR  14  -7.334   2.041   4.498
  118   2HG2  THR  14          3HG2      THR  14  -6.570   0.498   4.948
  119   3HG2  THR  14          2HG2      THR  14  -5.820   1.533   3.711
  120    H    VAL  15           H        VAL  15  -6.066   0.030   0.801
  121    HA   VAL  15           HA       VAL  15  -4.121   2.179   0.504
  122    HB   VAL  15           HB       VAL  15  -2.580   0.466  -0.157
  123   1HG1  VAL  15          1HG1      VAL  15  -4.305  -0.498   2.151
  124   2HG1  VAL  15          3HG1      VAL  15  -2.658  -1.053   1.802
  125   3HG1  VAL  15          2HG1      VAL  15  -2.947   0.650   2.232
  126   1HG2  VAL  15          2HG2      VAL  15  -4.897  -1.497  -0.297
  127   2HG2  VAL  15          1HG2      VAL  15  -3.931  -0.902  -1.662
  128   3HG2  VAL  15          3HG2      VAL  15  -3.178  -1.918  -0.417
  129    H    GLU  16           H        GLU  16  -6.684   1.934  -1.207
  130    HA   GLU  16           HA       GLU  16  -5.892   1.498  -3.892
  131   1HB   GLU  16          2HB       GLU  16  -8.262   1.511  -3.179
  132   2HB   GLU  16          1HB       GLU  16  -8.165   3.241  -2.864
  133   1HG   GLU  16          2HG       GLU  16  -7.726   3.676  -5.257
  134   2HG   GLU  16          1HG       GLU  16  -7.736   1.932  -5.588
  135    HA   PRO  17           HA       PRO  17  -5.612   6.304  -4.441
  136   1HB   PRO  17          2HB       PRO  17  -5.068   7.834  -2.204
  137   2HB   PRO  17          1HB       PRO  17  -6.729   7.480  -2.777
  138   1HG   PRO  17          1HG       PRO  17  -5.103   6.017  -0.648
  139   2HG   PRO  17          2HG       PRO  17  -6.779   6.650  -0.541
  140   1HD   PRO  17          1HD       PRO  17  -6.378   4.065  -1.106
  141   2HD   PRO  17          2HD       PRO  17  -7.631   4.980  -2.010
  142    H    TRP  18           H        TRP  18  -3.680   5.069  -1.731
  143    HA   TRP  18           HA       TRP  18  -1.274   6.455  -2.361
  144   1HB   TRP  18          2HB       TRP  18  -1.555   3.832  -0.829
  145   2HB   TRP  18          1HB       TRP  18  -0.167   4.940  -0.786
  146    HD1  TRP  18          1HD       TRP  18  -1.567   7.802  -0.315
  147    HE1  TRP  18          1HE       TRP  18  -2.797   8.338   1.813
  148    HE3  TRP  18          3HE       TRP  18  -2.482   3.021   1.241
  149    HZ2  TRP  18          2HZ       TRP  18  -4.026   6.895   3.921
  150    HZ3  TRP  18          3HZ       TRP  18  -3.727   2.656   3.348
  151    HH2  TRP  18          2HH       TRP  18  -4.487   4.591   4.690
  152    H    ALA  19           H        ALA  19  -2.258   3.097  -2.979
  153    HA   ALA  19           HA       ALA  19   0.060   2.180  -4.271
  154   1HB   ALA  19          1HB       ALA  19  -2.833   1.327  -4.735
  155   2HB   ALA  19          3HB       ALA  19  -1.391   0.413  -5.241
  156   3HB   ALA  19          2HB       ALA  19  -1.720   0.665  -3.514
  157    H    LYS  20           H        LYS  20  -2.900   3.500  -5.734
  158    HA   LYS  20           HA       LYS  20  -2.119   3.489  -8.435
  159   1HB   LYS  20          2HB       LYS  20  -4.082   5.090  -6.825
  160   2HB   LYS  20          1HB       LYS  20  -3.638   5.724  -8.404
  161   1HG   LYS  20          2HG       LYS  20  -5.516   4.527  -8.941
  162   2HG   LYS  20          1HG       LYS  20  -4.259   3.346  -9.291
  163   1HD   LYS  20          2HD       LYS  20  -5.847   3.375  -6.703
  164   2HD   LYS  20          1HD       LYS  20  -6.339   2.481  -8.135
  165   1HE   LYS  20          2HE       LYS  20  -4.258   1.130  -8.026
  166   2HE   LYS  20          1HE       LYS  20  -3.782   1.993  -6.546
  167   1HZ   LYS  20          2HZ       LYS  20  -5.819   1.264  -5.516
  168   2HZ   LYS  20          1HZ       LYS  20  -6.238   0.397  -6.914
  169   3HZ   LYS  20          3HZ       LYS  20  -4.868  -0.052  -6.015
  170    H    LYS  21           H        LYS  21  -1.784   6.057  -6.016
  171    HA   LYS  21           HA       LYS  21  -0.077   7.674  -7.756
  172   1HB   LYS  21          2HB       LYS  21  -0.986   8.089  -4.881
  173   2HB   LYS  21          1HB       LYS  21  -0.052   9.253  -5.835
  174   1HG   LYS  21          2HG       LYS  21  -1.911   9.368  -7.494
  175   2HG   LYS  21          1HG       LYS  21  -2.850   8.239  -6.507
  176   1HD   LYS  21          2HD       LYS  21  -3.596  10.538  -6.105
  177   2HD   LYS  21          1HD       LYS  21  -2.877   9.858  -4.639
  178   1HE   LYS  21          2HE       LYS  21  -2.173  12.213  -4.994
  179   2HE   LYS  21          1HE       LYS  21  -0.779  11.114  -5.059
  180   1HZ   LYS  21          1HZ       LYS  21  -2.256  12.186  -7.392
  181   2HZ   LYS  21          3HZ       LYS  21  -0.737  12.713  -6.846
  182   3HZ   LYS  21          2HZ       LYS  21  -0.920  11.139  -7.454
  183    H    CYS  22           H        CYS  22   1.222   5.436  -7.595
  184    HA   CYS  22           HA       CYS  22   3.718   6.112  -6.310
  185   1HB   CYS  22          2HB       CYS  22   2.377   5.129  -4.398
  186   2HB   CYS  22          1HB       CYS  22   2.268   3.615  -5.310
  187    H    SER  23           H        SER  23   5.309   4.281  -6.581
  188    HA   SER  23           HA       SER  23   4.845   2.593  -8.965
  189   1HB   SER  23          2HB       SER  23   7.022   4.736  -8.751
  190   2HB   SER  23          1HB       SER  23   6.890   3.539 -10.060
  191    HG   SER  23           HG       SER  23   4.893   5.473  -9.387
  192    H    GLY  24           H        GLY  24   7.199   1.669  -9.517
  193   1HA   GLY  24          2HA       GLY  24   9.132   0.520  -8.775
  194   2HA   GLY  24          1HA       GLY  24   8.630   0.773  -7.098
  195    H    ASP  25           H        ASP  25   9.456  -1.550  -7.382
  196    HA   ASP  25           HA       ASP  25   8.017  -3.596  -8.665
  197   1HB   ASP  25          2HB       ASP  25   9.764  -3.699  -6.166
  198   2HB   ASP  25          1HB       ASP  25   9.176  -5.129  -7.031
  199    H    ILE  26           H        ILE  26   7.771  -2.404  -5.347
  200    HA   ILE  26           HA       ILE  26   5.909  -4.306  -4.360
  201    HB   ILE  26           HB       ILE  26   6.297  -1.426  -3.482
  202   1HG1  ILE  26          2HG1      ILE  26   8.468  -2.531  -3.505
  203   2HG1  ILE  26          1HG1      ILE  26   7.934  -2.226  -1.856
  204   1HG2  ILE  26          1HG2      ILE  26   5.209  -3.829  -1.958
  205   2HG2  ILE  26          3HG2      ILE  26   5.547  -2.228  -1.261
  206   3HG2  ILE  26          2HG2      ILE  26   4.288  -2.408  -2.501
  207   1HD1  ILE  26          1HD1      ILE  26   7.794  -4.920  -3.295
  208   2HD1  ILE  26          3HD1      ILE  26   8.980  -4.457  -2.052
  209   3HD1  ILE  26          2HD1      ILE  26   7.263  -4.614  -1.623
  210    H    ALA  27           H        ALA  27   5.427  -1.027  -5.642
  211    HA   ALA  27           HA       ALA  27   2.644  -0.797  -5.401
  212   1HB   ALA  27          2HB       ALA  27   4.104   1.083  -6.057
  213   2HB   ALA  27          1HB       ALA  27   4.452   0.291  -7.611
  214   3HB   ALA  27          3HB       ALA  27   2.806   0.861  -7.251
  215    H    THR  28           H        THR  28   4.555  -2.097  -8.072
  216    HA   THR  28           HA       THR  28   2.468  -2.792  -9.853
  217    HB   THR  28           HB       THR  28   5.227  -4.040  -9.485
  218    HG1  THR  28           HG1      THR  28   5.762  -2.545 -11.162
  219   1HG2  THR  28          1HG2      THR  28   3.393  -4.099 -11.926
  220   2HG2  THR  28          3HG2      THR  28   5.062  -4.711 -11.860
  221   3HG2  THR  28          2HG2      THR  28   3.793  -5.493 -10.895
  222    H    TYR  29           H        TYR  29   4.079  -4.653  -7.313
  223    HA   TYR  29           HA       TYR  29   2.945  -7.196  -7.785
  224   1HB   TYR  29          2HB       TYR  29   4.832  -7.014  -6.325
  225   2HB   TYR  29          1HB       TYR  29   4.014  -5.856  -5.274
  226    HD1  TYR  29          1HD       TYR  29   3.346  -9.328  -6.609
  227    HD2  TYR  29          2HD       TYR  29   3.345  -6.682  -3.228
  228    HE1  TYR  29          1HE       TYR  29   2.544 -11.169  -5.165
  229    HE2  TYR  29          2HE       TYR  29   2.555  -8.525  -1.784
  230    HH   TYR  29           HH       TYR  29   1.865 -11.766  -3.110
  231    H    ILE  30           H        ILE  30   2.018  -4.826  -5.317
  232    HA   ILE  30           HA       ILE  30  -0.364  -5.978  -4.418
  233    HB   ILE  30           HB       ILE  30   0.497  -3.068  -4.596
  234   1HG1  ILE  30          2HG1      ILE  30   0.568  -5.006  -2.249
  235   2HG1  ILE  30          1HG1      ILE  30   1.954  -4.634  -3.281
  236   1HG2  ILE  30          1HG2      ILE  30  -1.796  -4.242  -2.963
  237   2HG2  ILE  30          3HG2      ILE  30  -1.179  -2.579  -2.828
  238   3HG2  ILE  30          2HG2      ILE  30  -1.946  -3.115  -4.332
  239   1HD1  ILE  30          1HD1      ILE  30   0.459  -2.615  -1.542
  240   2HD1  ILE  30          3HD1      ILE  30   2.041  -3.338  -1.183
  241   3HD1  ILE  30          2HD1      ILE  30   1.862  -2.267  -2.587
  242    H    LYS  31           H        LYS  31   0.210  -3.903  -7.197
  243    HA   LYS  31           HA       LYS  31  -2.391  -3.222  -7.991
  244   1HB   LYS  31          2HB       LYS  31   0.098  -2.827  -9.055
  245   2HB   LYS  31          1HB       LYS  31  -0.466  -4.108 -10.127
  246   1HG   LYS  31          2HG       LYS  31  -1.189  -2.291 -11.317
  247   2HG   LYS  31          1HG       LYS  31  -2.626  -2.559 -10.322
  248   1HD   LYS  31          2HD       LYS  31  -0.411  -0.524  -9.814
  249   2HD   LYS  31          1HD       LYS  31  -2.048  -0.175 -10.382
  250   1HE   LYS  31          2HE       LYS  31  -2.977  -0.926  -8.206
  251   2HE   LYS  31          1HE       LYS  31  -1.335  -1.302  -7.634
  252   1HZ   LYS  31          1HZ       LYS  31  -2.290   1.358  -8.510
  253   2HZ   LYS  31          3HZ       LYS  31  -2.054   0.867  -6.903
  254   3HZ   LYS  31          2HZ       LYS  31  -0.728   0.990  -7.956
  255    H    ARG  32           H        ARG  32  -0.482  -6.100  -8.752
  256    HA   ARG  32           HA       ARG  32  -2.467  -7.494 -10.265
  257   1HB   ARG  32          2HB       ARG  32  -0.019  -7.969 -10.362
  258   2HB   ARG  32          1HB       ARG  32  -0.085  -8.602  -8.709
  259   1HG   ARG  32          2HG       ARG  32  -1.699 -10.357  -9.464
  260   2HG   ARG  32          1HG       ARG  32  -1.559  -9.735 -11.118
  261   1HD   ARG  32          2HD       ARG  32   0.843 -10.304 -11.154
  262   2HD   ARG  32          1HD       ARG  32   0.733 -10.900  -9.476
  263    HE   ARG  32           HE       ARG  32  -1.227 -12.260 -10.957
  264   1HH1  ARG  32          2HH2      ARG  32   2.269 -11.970 -10.874
  265   2HH1  ARG  32          1HH2      ARG  32   2.534 -13.567 -11.492
  266   1HH2  ARG  32          2HH1      ARG  32  -0.865 -14.341 -11.780
  267   2HH2  ARG  32          1HH1      ARG  32   0.755 -14.910 -12.004
  268    H    GLU  33           H        GLU  33  -1.405  -7.810  -6.869
  269    HA   GLU  33           HA       GLU  33  -2.913 -10.072  -6.178
  270   1HB   GLU  33          2HB       GLU  33  -2.132  -7.758  -4.354
  271   2HB   GLU  33          1HB       GLU  33  -2.601  -9.388  -3.858
  272   1HG   GLU  33          2HG       GLU  33  -0.088  -8.663  -5.412
  273   2HG   GLU  33          1HG       GLU  33  -0.168  -9.111  -3.707
  274    H    CYS  34           H        CYS  34  -3.719  -6.698  -5.388
  275    HA   CYS  34           HA       CYS  34  -6.423  -7.188  -4.636
  276   1HB   CYS  34          2HB       CYS  34  -5.398  -5.149  -3.896
  277   2HB   CYS  34          1HB       CYS  34  -4.965  -4.677  -5.552
  278    H    GLY  35           H        GLY  35  -5.110  -5.723  -7.605
  279   1HA   GLY  35          2HA       GLY  35  -7.666  -5.398  -8.856
  280   2HA   GLY  35          1HA       GLY  35  -6.092  -5.143  -9.618
  281    H    LYS  36           H        LYS  36  -4.883  -7.245 -10.065
  282    HA   LYS  36           HA       LYS  36  -6.560  -8.840 -11.842
  283   1HB   LYS  36          2HB       LYS  36  -4.207  -7.875 -12.316
  284   2HB   LYS  36          1HB       LYS  36  -3.588  -9.199 -11.334
  285   1HG   LYS  36          2HG       LYS  36  -5.331  -9.570 -13.807
  286   2HG   LYS  36          1HG       LYS  36  -3.568  -9.578 -13.841
  287   1HD   LYS  36          2HD       LYS  36  -5.297 -11.584 -12.321
  288   2HD   LYS  36          1HD       LYS  36  -4.557 -11.851 -13.900
  289   1HE   LYS  36          2HE       LYS  36  -2.299 -11.632 -12.942
  290   2HE   LYS  36          1HE       LYS  36  -2.988 -11.286 -11.341
  291   1HZ   LYS  36          2HZ       LYS  36  -4.039 -13.438 -11.368
  292   2HZ   LYS  36          1HZ       LYS  36  -3.376 -13.774 -12.895
  293   3HZ   LYS  36          3HZ       LYS  36  -2.356 -13.581 -11.551
  294    H    LEU  37           H        LEU  37  -7.817  -9.740 -10.099
  295    HA   LEU  37           HA       LEU  37  -6.772 -11.539  -8.132
  296   1HB   LEU  37          2HB       LEU  37  -9.170 -10.281  -8.619
  297   2HB   LEU  37          1HB       LEU  37  -9.562 -11.913  -9.151
  298    HG   LEU  37           HG       LEU  37  -8.528 -11.119  -6.411
  299   1HD1  LEU  37          1HD1      LEU  37 -11.314 -11.967  -7.292
  300   2HD1  LEU  37          3HD1      LEU  37 -10.804 -11.709  -5.608
  301   3HD1  LEU  37          2HD1      LEU  37 -10.812 -10.347  -6.750
  302   1HD2  LEU  37          2HD2      LEU  37  -9.409 -13.864  -7.382
  303   2HD2  LEU  37          1HD2      LEU  37  -7.773 -13.380  -6.860
  304   3HD2  LEU  37          3HD2      LEU  37  -9.100 -13.422  -5.688
  305   1H    TRP   1          2H        TRP   1 -12.922  -4.012   7.901
  306   2H    TRP   1          1H        TRP   1 -12.959  -2.337   8.169
  307   3H    TRP   1          3H        TRP   1 -12.604  -2.941   6.621
  308    HA   TRP   1           HA       TRP   1 -10.586  -3.938   7.437
  309   1HB   TRP   1          2HB       TRP   1 -11.143  -1.204   6.959
  310   2HB   TRP   1          1HB       TRP   1 -10.172  -1.190   8.443
  311    HD1  TRP   1          1HD       TRP   1  -9.930  -3.187   4.993
  312    HE1  TRP   1          1HE       TRP   1  -7.528  -3.206   4.224
  313    HE3  TRP   1          3HE       TRP   1  -7.890  -0.522   8.852
  314    HZ2  TRP   1          2HZ       TRP   1  -5.071  -2.108   5.091
  315    HZ3  TRP   1          3HZ       TRP   1  -5.472  -0.005   8.806
  316    HH2  TRP   1          2HH       TRP   1  -4.064  -0.802   6.936
  317    H    SER   2           H        SER   2  -8.864  -3.290   9.226
  318    HA   SER   2           HA       SER   2  -9.886  -3.116  11.945
  319   1HB   SER   2          2HB       SER   2 -10.451  -5.493  11.283
  320   2HB   SER   2          1HB       SER   2  -8.727  -5.776  10.967
  321    HG   SER   2           HG       SER   2  -9.343  -6.452  13.088
  322    H    THR   3           H        THR   3  -8.210  -3.449  13.548
  323    HA   THR   3           HA       THR   3  -5.641  -2.334  12.994
  324    HB   THR   3           HB       THR   3  -6.597  -4.006  15.365
  325    HG1  THR   3           HG1      THR   3  -6.509  -1.180  14.945
  326   1HG2  THR   3          1HG2      THR   3  -4.239  -2.078  15.164
  327   2HG2  THR   3          3HG2      THR   3  -4.797  -2.886  16.648
  328   3HG2  THR   3          2HG2      THR   3  -4.115  -3.846  15.317
  329    H    ILE   4           H        ILE   4  -6.821  -5.634  13.435
  330    HA   ILE   4           HA       ILE   4  -4.401  -7.076  13.240
  331    HB   ILE   4           HB       ILE   4  -7.193  -7.826  12.277
  332   1HG1  ILE   4          2HG1      ILE   4  -5.830  -8.380  14.941
  333   2HG1  ILE   4          1HG1      ILE   4  -7.108  -7.189  14.667
  334   1HG2  ILE   4          2HG2      ILE   4  -5.518  -9.313  11.268
  335   2HG2  ILE   4          1HG2      ILE   4  -4.806  -9.632  12.866
  336   3HG2  ILE   4          3HG2      ILE   4  -6.454 -10.188  12.490
  337   1HD1  ILE   4          2HD1      ILE   4  -8.680  -9.007  14.040
  338   2HD1  ILE   4          1HD1      ILE   4  -7.403 -10.211  14.341
  339   3HD1  ILE   4          3HD1      ILE   4  -8.031  -9.227  15.681
  340    H    VAL   5           H        VAL   5  -6.763  -6.291  10.713
  341    HA   VAL   5           HA       VAL   5  -5.387  -7.179   8.436
  342    HB   VAL   5           HB       VAL   5  -7.304  -4.837   8.781
  343   1HG1  VAL   5          1HG1      VAL   5  -6.470  -6.231   6.200
  344   2HG1  VAL   5          3HG1      VAL   5  -7.770  -5.028   6.358
  345   3HG1  VAL   5          2HG1      VAL   5  -6.086  -4.557   6.660
  346   1HG2  VAL   5          1HG2      VAL   5  -8.279  -7.001   9.448
  347   2HG2  VAL   5          3HG2      VAL   5  -9.026  -6.407   7.947
  348   3HG2  VAL   5          2HG2      VAL   5  -7.809  -7.707   7.886
  349    H    LYS   6           H        LYS   6  -5.231  -4.087  10.117
  350    HA   LYS   6           HA       LYS   6  -3.676  -2.598   8.295
  351   1HB   LYS   6          2HB       LYS   6  -4.893  -1.637  10.198
  352   2HB   LYS   6          1HB       LYS   6  -3.797  -2.421  11.343
  353   1HG   LYS   6          2HG       LYS   6  -1.902  -1.105  10.320
  354   2HG   LYS   6          1HG       LYS   6  -3.094  -0.236   9.344
  355   1HD   LYS   6          2HD       LYS   6  -2.957  -0.263  12.389
  356   2HD   LYS   6          1HD       LYS   6  -2.355   1.031  11.353
  357   1HE   LYS   6          2HE       LYS   6  -4.455   1.784  12.203
  358   2HE   LYS   6          1HE       LYS   6  -4.750   1.336  10.512
  359   1HZ   LYS   6          1HZ       LYS   6  -5.300  -0.369  12.871
  360   2HZ   LYS   6          3HZ       LYS   6  -6.456   0.510  11.991
  361   3HZ   LYS   6          2HZ       LYS   6  -5.623  -0.770  11.255
  362    H    LEU   7           H        LEU   7  -2.556  -4.202  11.270
  363    HA   LEU   7           HA       LEU   7   0.175  -3.812  11.027
  364   1HB   LEU   7          2HB       LEU   7  -1.347  -6.171  12.208
  365   2HB   LEU   7          1HB       LEU   7   0.384  -5.897  12.451
  366    HG   LEU   7           HG       LEU   7  -1.805  -3.937  13.254
  367   1HD1  LEU   7          2HD1      LEU   7  -1.972  -5.975  14.607
  368   2HD1  LEU   7          1HD1      LEU   7  -0.237  -5.884  14.994
  369   3HD1  LEU   7          3HD1      LEU   7  -1.350  -4.628  15.586
  370   1HD2  LEU   7          2HD2      LEU   7   1.173  -3.943  13.890
  371   2HD2  LEU   7          1HD2      LEU   7   0.325  -2.803  12.818
  372   3HD2  LEU   7          3HD2      LEU   7  -0.026  -2.813  14.558
  373    H    THR   8           H        THR   8  -1.744  -6.425   9.635
  374    HA   THR   8           HA       THR   8   0.335  -8.043   8.618
  375    HB   THR   8           HB       THR   8  -2.490  -7.583   7.563
  376    HG1  THR   8           HG1      THR   8  -2.307  -8.351   9.738
  377   1HG2  THR   8          1HG2      THR   8  -0.607  -9.926   7.024
  378   2HG2  THR   8          3HG2      THR   8  -2.314  -9.823   6.532
  379   3HG2  THR   8          2HG2      THR   8  -1.119  -8.710   5.830
  380    H    ILE   9           H        ILE   9  -1.533  -5.484   6.982
  381    HA   ILE   9           HA       ILE   9  -0.082  -5.806   4.510
  382    HB   ILE   9           HB       ILE   9  -2.474  -5.208   4.624
  383   1HG1  ILE   9          2HG1      ILE   9  -2.468  -3.471   2.832
  384   2HG1  ILE   9          1HG1      ILE   9  -0.739  -3.237   3.107
  385   1HG2  ILE   9          1HG2      ILE   9  -1.537  -2.475   5.569
  386   2HG2  ILE   9          3HG2      ILE   9  -3.175  -2.870   5.008
  387   3HG2  ILE   9          2HG2      ILE   9  -2.536  -3.639   6.471
  388   1HD1  ILE   9          1HD1      ILE   9  -2.047  -5.843   2.204
  389   2HD1  ILE   9          3HD1      ILE   9  -1.144  -4.712   1.168
  390   3HD1  ILE   9          2HD1      ILE   9  -0.301  -5.595   2.459
  391    H    CYS  10           H        CYS  10   0.245  -3.659   7.237
  392    HA   CYS  10           HA       CYS  10   1.268  -1.343   6.144
  393   1HB   CYS  10          2HB       CYS  10   2.131  -2.596   8.767
  394   2HB   CYS  10          1HB       CYS  10   2.478  -0.939   8.269
  395    HA   PRO  11           HA       PRO  11   5.882  -2.857   6.600
  396   1HB   PRO  11          2HB       PRO  11   6.275  -5.561   6.044
  397   2HB   PRO  11          1HB       PRO  11   6.158  -4.870   7.695
  398   1HG   PRO  11          1HG       PRO  11   3.958  -6.128   6.000
  399   2HG   PRO  11          2HG       PRO  11   4.390  -6.465   7.710
  400   1HD   PRO  11          1HD       PRO  11   2.362  -4.817   7.193
  401   2HD   PRO  11          2HD       PRO  11   3.549  -4.343   8.453
  402    H    THR  12           H        THR  12   3.839  -4.781   4.429
  403    HA   THR  12           HA       THR  12   5.431  -4.714   2.095
  404    HB   THR  12           HB       THR  12   2.377  -4.682   2.235
  405    HG1  THR  12           HG1      THR  12   4.219  -6.864   2.376
  406   1HG2  THR  12          2HG2      THR  12   3.296  -4.390  -0.060
  407   2HG2  THR  12          1HG2      THR  12   4.274  -5.860   0.148
  408   3HG2  THR  12          3HG2      THR  12   2.496  -5.967   0.128
  409    H    LEU  13           H        LEU  13   2.844  -2.545   3.187
  410    HA   LEU  13           HA       LEU  13   2.837  -0.737   1.016
  411   1HB   LEU  13          2HB       LEU  13   2.147  -0.188   3.935
  412   2HB   LEU  13          1HB       LEU  13   1.701   0.816   2.548
  413    HG   LEU  13           HG       LEU  13   0.818  -2.051   2.953
  414   1HD1  LEU  13          2HD1      LEU  13  -0.176  -0.602   4.661
  415   2HD1  LEU  13          1HD1      LEU  13  -0.726   0.535   3.408
  416   3HD1  LEU  13          3HD1      LEU  13  -1.412  -1.106   3.492
  417   1HD2  LEU  13          1HD2      LEU  13   0.895  -1.448   0.576
  418   2HD2  LEU  13          3HD2      LEU  13  -0.786  -1.611   1.120
  419   3HD2  LEU  13          2HD2      LEU  13  -0.077   0.006   0.895
  420    H    LYS  14           H        LYS  14   4.771  -0.747   3.972
  421    HA   LYS  14           HA       LYS  14   5.943   1.837   3.710
  422   1HB   LYS  14          2HB       LYS  14   6.914  -0.697   5.086
  423   2HB   LYS  14          1HB       LYS  14   7.765   0.839   5.205
  424   1HG   LYS  14          2HG       LYS  14   4.924   0.241   6.150
  425   2HG   LYS  14          1HG       LYS  14   6.344   0.455   7.171
  426   1HD   LYS  14          2HD       LYS  14   5.077   2.624   5.447
  427   2HD   LYS  14          1HD       LYS  14   4.816   2.416   7.177
  428   1HE   LYS  14          2HE       LYS  14   6.403   4.185   6.961
  429   2HE   LYS  14          1HE       LYS  14   7.340   2.768   7.477
  430   1HZ   LYS  14          1HZ       LYS  14   7.042   3.722   4.689
  431   2HZ   LYS  14          3HZ       LYS  14   8.403   3.954   5.679
  432   3HZ   LYS  14          2HZ       LYS  14   7.963   2.391   5.193
  433    H    SER  15           H        SER  15   6.888  -1.349   2.515
  434    HA   SER  15           HA       SER  15   9.342  -0.650   1.299
  435   1HB   SER  15          2HB       SER  15   7.328  -2.744   0.348
  436   2HB   SER  15          1HB       SER  15   9.046  -2.653  -0.090
  437    HG   SER  15           HG       SER  15   8.038  -2.988   2.561
  438    H    MET  16           H        MET  16   6.025  -0.614   0.046
  439    HA   MET  16           HA       MET  16   6.498   0.371  -2.562
  440   1HB   MET  16          2HB       MET  16   4.260  -0.452  -1.539
  441   2HB   MET  16          1HB       MET  16   4.113   1.160  -0.829
  442   1HG   MET  16          2HG       MET  16   4.605   1.907  -3.360
  443   2HG   MET  16          1HG       MET  16   3.920   0.317  -3.695
  444   1HE   MET  16          1HE       MET  16   1.752  -0.141  -1.468
  445   2HE   MET  16          3HE       MET  16   0.298   0.567  -2.210
  446   3HE   MET  16          2HE       MET  16   1.416  -0.396  -3.200
  447    H    ALA  17           H        ALA  17   6.091   1.999   0.518
  448    HA   ALA  17           HA       ALA  17   5.735   4.668  -0.306
  449   1HB   ALA  17          2HB       ALA  17   5.221   3.893   1.968
  450   2HB   ALA  17          1HB       ALA  17   6.947   3.599   2.281
  451   3HB   ALA  17          3HB       ALA  17   6.366   5.253   2.020
  452    H    LYS  18           H        LYS  18   8.663   2.788   0.180
  453    HA   LYS  18           HA       LYS  18  10.657   4.701   0.312
  454   1HB   LYS  18          2HB       LYS  18  10.748   2.147  -1.340
  455   2HB   LYS  18          1HB       LYS  18  12.149   3.103  -0.841
  456   1HG   LYS  18          2HG       LYS  18  11.329   2.692   1.591
  457   2HG   LYS  18          1HG       LYS  18  10.292   1.440   0.892
  458   1HD   LYS  18          2HD       LYS  18  13.336   1.571   0.735
  459   2HD   LYS  18          1HD       LYS  18  12.391   0.478   1.749
  460   1HE   LYS  18          2HE       LYS  18  12.342   0.452  -1.305
  461   2HE   LYS  18          1HE       LYS  18  13.336  -0.621  -0.297
  462   1HZ   LYS  18          1HZ       LYS  18  10.385  -0.422  -0.206
  463   2HZ   LYS  18          3HZ       LYS  18  11.271  -1.657  -0.962
  464   3HZ   LYS  18          2HZ       LYS  18  11.346  -1.465   0.724
  465    H    LYS  19           H        LYS  19   8.867   3.677  -2.543
  466    HA   LYS  19           HA       LYS  19   9.915   6.035  -4.024
  467   1HB   LYS  19          2HB       LYS  19  11.107   3.920  -4.697
  468   2HB   LYS  19          1HB       LYS  19   9.553   3.249  -5.211
  469   1HG   LYS  19          2HG       LYS  19   9.321   5.096  -6.877
  470   2HG   LYS  19          1HG       LYS  19  10.881   5.749  -6.350
  471   1HD   LYS  19          2HD       LYS  19  11.995   3.645  -7.072
  472   2HD   LYS  19          1HD       LYS  19  10.432   2.999  -7.595
  473   1HE   LYS  19          2HE       LYS  19  11.688   3.849  -9.531
  474   2HE   LYS  19          1HE       LYS  19  10.237   4.843  -9.267
  475   1HZ   LYS  19          2HZ       LYS  19  11.597   6.439  -8.096
  476   2HZ   LYS  19          1HZ       LYS  19  12.981   5.492  -8.355
  477   3HZ   LYS  19          3HZ       LYS  19  12.174   6.196  -9.673
  478    H    CYS  20           H        CYS  20   7.714   6.524  -2.874
  479    HA   CYS  20           HA       CYS  20   5.580   6.189  -4.929
  480   1HB   CYS  20          2HB       CYS  20   5.376   6.957  -1.996
  481   2HB   CYS  20          1HB       CYS  20   4.029   7.069  -3.140
  482    H    GLU  21           H        GLU  21   4.108   8.006  -5.137
  483    HA   GLU  21           HA       GLU  21   5.550  10.323  -6.099
  484   1HB   GLU  21          2HB       GLU  21   2.546   9.829  -5.837
  485   2HB   GLU  21          1HB       GLU  21   3.320  11.056  -6.850
  486   1HG   GLU  21          2HG       GLU  21   4.313   9.338  -8.279
  487   2HG   GLU  21          1HG       GLU  21   3.722   8.051  -7.216
  488    H    GLY  22           H        GLY  22   5.003  12.494  -5.583
  489   1HA   GLY  22          2HA       GLY  22   4.812  14.329  -4.200
  490   2HA   GLY  22          1HA       GLY  22   3.240  13.615  -3.841
  491    H    SER  23           H        SER  23   2.868  12.703  -1.924
  492    HA   SER  23           HA       SER  23   5.003  12.098  -0.004
  493   1HB   SER  23          2HB       SER  23   4.002  13.497   1.787
  494   2HB   SER  23          1HB       SER  23   4.556  14.496   0.426
  495    HG   SER  23           HG       SER  23   1.866  13.627   0.881
  496    H    ILE  24           H        ILE  24   3.039  10.685  -1.534
  497    HA   ILE  24           HA       ILE  24   0.952   9.551  -0.008
  498    HB   ILE  24           HB       ILE  24   2.734   8.508  -2.233
  499   1HG1  ILE  24          2HG1      ILE  24   1.384  10.418  -2.882
  500   2HG1  ILE  24          1HG1      ILE  24   0.856   8.962  -3.724
  501   1HG2  ILE  24          1HG2      ILE  24   0.242   7.164  -1.158
  502   2HG2  ILE  24          3HG2      ILE  24   1.071   6.730  -2.673
  503   3HG2  ILE  24          2HG2      ILE  24   1.901   6.529  -1.117
  504   1HD1  ILE  24          1HD1      ILE  24  -0.544  10.217  -1.319
  505   2HD1  ILE  24          3HD1      ILE  24  -1.075  10.314  -3.009
  506   3HD1  ILE  24          2HD1      ILE  24  -1.072   8.746  -2.173
  507    H    ALA  25           H        ALA  25   4.355   8.717  -0.344
  508    HA   ALA  25           HA       ALA  25   4.659   6.430   1.180
  509   1HB   ALA  25          2HB       ALA  25   6.483   7.581  -0.044
  510   2HB   ALA  25          1HB       ALA  25   6.447   8.913   1.130
  511   3HB   ALA  25          3HB       ALA  25   6.959   7.289   1.649
  512    H    THR  26           H        THR  26   4.565   9.783   2.320
  513    HA   THR  26           HA       THR  26   4.935   9.371   5.089
  514    HB   THR  26           HB       THR  26   3.261  11.528   3.721
  515    HG1  THR  26           HG1      THR  26   5.267  12.683   3.768
  516   1HG2  THR  26          1HG2      THR  26   4.695  11.562   6.413
  517   2HG2  THR  26          3HG2      THR  26   3.850  12.936   5.663
  518   3HG2  THR  26          2HG2      THR  26   2.934  11.503   6.176
  519    H    MET  27           H        MET  27   1.976   9.521   3.150
  520    HA   MET  27           HA       MET  27   0.055   9.308   5.201
  521   1HB   MET  27          2HB       MET  27  -0.157   8.268   2.343
  522   2HB   MET  27          1HB       MET  27  -1.500   8.577   3.453
  523   1HG   MET  27          2HG       MET  27  -0.986  10.970   3.487
  524   2HG   MET  27          1HG       MET  27   0.431  10.711   2.457
  525   1HE   MET  27          2HE       MET  27  -1.642  12.892   1.710
  526   2HE   MET  27          1HE       MET  27  -0.256  12.455   0.680
  527   3HE   MET  27          3HE       MET  27  -1.886  12.581  -0.027
  528    H    ILE  28           H        ILE  28   1.689   6.752   3.343
  529    HA   ILE  28           HA       ILE  28   0.312   4.491   4.264
  530    HB   ILE  28           HB       ILE  28   3.250   4.863   3.591
  531   1HG1  ILE  28          2HG1      ILE  28   1.825   5.304   1.684
  532   2HG1  ILE  28          1HG1      ILE  28   2.722   3.802   1.446
  533   1HG2  ILE  28          1HG2      ILE  28   1.782   2.241   4.017
  534   2HG2  ILE  28          3HG2      ILE  28   3.417   2.412   3.324
  535   3HG2  ILE  28          2HG2      ILE  28   3.105   2.895   5.004
  536   1HD1  ILE  28          2HD1      ILE  28   0.686   2.495   2.067
  537   2HD1  ILE  28          1HD1      ILE  28  -0.209   4.017   2.276
  538   3HD1  ILE  28          3HD1      ILE  28   0.402   3.551   0.671
  539    H    LYS  29           H        LYS  29   3.235   5.970   5.629
  540    HA   LYS  29           HA       LYS  29   3.467   4.361   7.945
  541   1HB   LYS  29          2HB       LYS  29   5.232   5.882   7.026
  542   2HB   LYS  29          1HB       LYS  29   4.291   7.277   7.574
  543   1HG   LYS  29          2HG       LYS  29   4.490   6.506   9.924
  544   2HG   LYS  29          1HG       LYS  29   5.417   5.097   9.389
  545   1HD   LYS  29          2HD       LYS  29   6.271   8.006   9.054
  546   2HD   LYS  29          1HD       LYS  29   6.855   6.906  10.313
  547   1HE   LYS  29          2HE       LYS  29   7.837   5.429   8.555
  548   2HE   LYS  29          1HE       LYS  29   7.278   6.562   7.303
  549   1HZ   LYS  29          2HZ       LYS  29   8.593   8.285   8.328
  550   2HZ   LYS  29          1HZ       LYS  29   9.130   7.204   9.522
  551   3HZ   LYS  29          3HZ       LYS  29   9.565   6.959   7.898
  552    H    LYS  30           H        LYS  30   1.703   7.349   7.345
  553    HA   LYS  30           HA       LYS  30   1.159   8.138  10.002
  554   1HB   LYS  30          2HB       LYS  30   0.962   9.556   7.945
  555   2HB   LYS  30          1HB       LYS  30  -0.480   8.657   7.477
  556   1HG   LYS  30          2HG       LYS  30  -1.175  10.735   8.489
  557   2HG   LYS  30          1HG       LYS  30  -1.591   9.421   9.600
  558   1HD   LYS  30          2HD       LYS  30   0.408   9.916  10.971
  559   2HD   LYS  30          1HD       LYS  30   0.891  11.185   9.833
  560   1HE   LYS  30          2HE       LYS  30  -0.161  12.200  11.796
  561   2HE   LYS  30          1HE       LYS  30  -1.213  12.435  10.381
  562   1HZ   LYS  30          2HZ       LYS  30  -2.500  10.532  11.075
  563   2HZ   LYS  30          1HZ       LYS  30  -1.499  10.315  12.430
  564   3HZ   LYS  30          3HZ       LYS  30  -2.458  11.713  12.299
  565    H    LYS  31           H        LYS  31  -1.021   6.546   7.675
  566    HA   LYS  31           HA       LYS  31  -3.064   6.002   9.638
  567   1HB   LYS  31          2HB       LYS  31  -2.692   5.108   6.757
  568   2HB   LYS  31          1HB       LYS  31  -4.072   4.624   7.744
  569   1HG   LYS  31          2HG       LYS  31  -4.748   6.470   6.356
  570   2HG   LYS  31          1HG       LYS  31  -4.682   7.031   8.032
  571   1HD   LYS  31          2HD       LYS  31  -2.526   8.142   7.607
  572   2HD   LYS  31          1HD       LYS  31  -2.523   7.522   5.942
  573   1HE   LYS  31          2HE       LYS  31  -4.539   8.863   5.438
  574   2HE   LYS  31          1HE       LYS  31  -4.556   9.470   7.113
  575   1HZ   LYS  31          1HZ       LYS  31  -2.349   9.813   5.163
  576   2HZ   LYS  31          3HZ       LYS  31  -3.471  11.005   5.618
  577   3HZ   LYS  31          2HZ       LYS  31  -2.372  10.393   6.760
  578    H    CYS  32           H        CYS  32  -0.893   3.920   7.750
  579    HA   CYS  32           HA       CYS  32  -1.728   1.523   9.204
  580   1HB   CYS  32          2HB       CYS  32  -1.168   1.858   6.635
  581   2HB   CYS  32          1HB       CYS  32   0.493   1.564   7.154
  582    H    ASP  33           H        ASP  33  -0.876   2.537  11.230
  583    HA   ASP  33           HA       ASP  33   1.540   1.224  12.054
  584   1HB   ASP  33          2HB       ASP  33   2.524   3.214  10.865
  585   2HB   ASP  33          1HB       ASP  33   1.580   4.284  11.917
  586    H    LYS  34           H        LYS  34   2.068   1.716  14.307
  587    HA   LYS  34           HA       LYS  34  -0.006   3.025  15.953
  588   1HB   LYS  34          2HB       LYS  34   0.941   0.152  16.399
  589   2HB   LYS  34          1HB       LYS  34  -0.104   1.089  17.481
  590   1HG   LYS  34          2HG       LYS  34  -1.861   1.183  15.773
  591   2HG   LYS  34          1HG       LYS  34  -0.824   0.337  14.620
  592   1HD   LYS  34          2HD       LYS  34  -2.427  -1.228  15.472
  593   2HD   LYS  34          1HD       LYS  34  -0.833  -1.668  16.084
  594   1HE   LYS  34          2HE       LYS  34  -2.837  -0.089  17.745
  595   2HE   LYS  34          1HE       LYS  34  -2.768  -1.864  17.741
  596   1HZ   LYS  34          2HZ       LYS  34  -0.467  -1.728  18.427
  597   2HZ   LYS  34          1HZ       LYS  34  -0.552  -0.033  18.468
  598   3HZ   LYS  34          3HZ       LYS  34  -1.492  -0.953  19.539
   
  No H/Q in entry =         598
  Start of MODEL          15
 Raw file had  604 H/Q atoms
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   0.055 -18.231   1.932
    2   2H    GLY   1          3H        GLY   1   0.839 -19.175   0.756
    3   3H    GLY   1          2H        GLY   1   1.595 -18.871   2.247
    4   1HA   GLY   1          2HA       GLY   1   2.549 -17.526   0.505
    5   2HA   GLY   1          1HA       GLY   1   0.941 -16.858   0.179
    6    H    VAL   2           H        VAL   2   2.592 -15.005   0.598
    7    HA   VAL   2           HA       VAL   2   3.286 -14.245   3.244
    8    HB   VAL   2           HB       VAL   2   4.330 -13.332   1.228
    9   1HG1  VAL   2          2HG1      VAL   2   2.423 -13.059  -0.273
   10   2HG1  VAL   2          1HG1      VAL   2   1.771 -11.755   0.750
   11   3HG1  VAL   2          3HG1      VAL   2   3.313 -11.530  -0.101
   12   1HG2  VAL   2          1HG2      VAL   2   4.623 -12.130   3.308
   13   2HG2  VAL   2          3HG2      VAL   2   4.519 -10.976   1.961
   14   3HG2  VAL   2          2HG2      VAL   2   3.125 -11.211   3.038
   15    H    ILE   3           H        ILE   3   0.520 -13.400   1.226
   16    HA   ILE   3           HA       ILE   3  -1.100 -12.740   3.610
   17    HB   ILE   3           HB       ILE   3  -0.631 -10.951   1.200
   18   1HG1  ILE   3          2HG1      ILE   3  -0.093 -10.498   4.152
   19   2HG1  ILE   3          1HG1      ILE   3   1.104 -10.742   2.880
   20   1HG2  ILE   3          2HG2      ILE   3  -3.031 -10.903   1.698
   21   2HG2  ILE   3          1HG2      ILE   3  -2.683 -10.539   3.407
   22   3HG2  ILE   3          3HG2      ILE   3  -2.282  -9.359   2.141
   23   1HD1  ILE   3          2HD1      ILE   3   0.468  -8.612   1.817
   24   2HD1  ILE   3          1HD1      ILE   3  -0.750  -8.332   3.086
   25   3HD1  ILE   3          3HD1      ILE   3   0.976  -8.374   3.502
   26    HA   PRO   4           HA       PRO   4  -3.858 -15.198   1.104
   27   1HB   PRO   4          2HB       PRO   4  -6.094 -15.126   2.632
   28   2HB   PRO   4          1HB       PRO   4  -4.584 -15.867   3.260
   29   1HG   PRO   4          1HG       PRO   4  -5.608 -13.021   3.676
   30   2HG   PRO   4          2HG       PRO   4  -5.130 -14.218   4.928
   31   1HD   PRO   4          1HD       PRO   4  -3.366 -12.340   4.024
   32   2HD   PRO   4          2HD       PRO   4  -2.824 -14.006   4.421
   33    H    LYS   5           H        LYS   5  -6.005 -15.170   0.138
   34    HA   LYS   5           HA       LYS   5  -6.511 -13.032  -1.590
   35   1HB   LYS   5          2HB       LYS   5  -7.275 -15.364  -1.939
   36   2HB   LYS   5          1HB       LYS   5  -8.411 -15.200  -0.592
   37   1HG   LYS   5          2HG       LYS   5  -9.627 -13.420  -1.846
   38   2HG   LYS   5          1HG       LYS   5  -8.485 -13.600  -3.184
   39   1HD   LYS   5          2HD       LYS   5 -10.538 -14.798  -3.716
   40   2HD   LYS   5          1HD       LYS   5  -9.229 -15.963  -3.480
   41   1HE   LYS   5          2HE       LYS   5 -10.065 -16.465  -1.198
   42   2HE   LYS   5          1HE       LYS   5 -11.363 -15.263  -1.406
   43   1HZ   LYS   5          2HZ       LYS   5 -12.175 -16.532  -3.272
   44   2HZ   LYS   5          1HZ       LYS   5 -10.936 -17.676  -3.073
   45   3HZ   LYS   5          3HZ       LYS   5 -12.122 -17.491  -1.872
   46    H    LYS   6           H        LYS   6  -8.157 -13.928   1.407
   47    HA   LYS   6           HA       LYS   6 -10.251 -12.102   1.471
   48   1HB   LYS   6          2HB       LYS   6 -10.017 -13.962   3.055
   49   2HB   LYS   6          1HB       LYS   6  -8.591 -13.208   3.774
   50   1HG   LYS   6          2HG       LYS   6 -10.589 -12.896   5.186
   51   2HG   LYS   6          1HG       LYS   6  -9.942 -11.351   4.628
   52   1HD   LYS   6          2HD       LYS   6 -12.394 -11.350   4.533
   53   2HD   LYS   6          1HD       LYS   6 -11.710 -11.196   2.912
   54   1HE   LYS   6          2HE       LYS   6 -13.638 -12.732   2.902
   55   2HE   LYS   6          1HE       LYS   6 -12.151 -13.617   2.493
   56   1HZ   LYS   6          2HZ       LYS   6 -12.006 -14.335   4.782
   57   2HZ   LYS   6          1HZ       LYS   6 -13.432 -13.495   5.164
   58   3HZ   LYS   6          3HZ       LYS   6 -13.484 -14.811   4.091
   59    H    ILE   7           H        ILE   7  -7.039 -11.694   2.970
   60    HA   ILE   7           HA       ILE   7  -7.426  -9.066   3.931
   61    HB   ILE   7           HB       ILE   7  -4.901 -10.541   3.154
   62   1HG1  ILE   7          2HG1      ILE   7  -6.138 -11.566   5.002
   63   2HG1  ILE   7          1HG1      ILE   7  -4.582 -10.919   5.536
   64   1HG2  ILE   7          1HG2      ILE   7  -5.107  -7.891   4.643
   65   2HG2  ILE   7          3HG2      ILE   7  -3.629  -8.866   4.486
   66   3HG2  ILE   7          2HG2      ILE   7  -4.378  -8.159   3.043
   67   1HD1  ILE   7          2HD1      ILE   7  -5.749  -8.937   6.500
   68   2HD1  ILE   7          1HD1      ILE   7  -7.309  -9.599   5.960
   69   3HD1  ILE   7          3HD1      ILE   7  -6.355 -10.456   7.190
   70    H    TRP   8           H        TRP   8  -6.004 -10.157   0.853
   71    HA   TRP   8           HA       TRP   8  -5.238  -7.671  -0.173
   72   1HB   TRP   8          2HB       TRP   8  -6.187 -10.202  -1.573
   73   2HB   TRP   8          1HB       TRP   8  -5.599  -8.784  -2.464
   74    HD1  TRP   8          1HD       TRP   8  -4.181 -11.974  -1.592
   75    HE1  TRP   8          1HE       TRP   8  -1.700 -11.929  -1.157
   76    HE3  TRP   8          3HE       TRP   8  -3.615  -6.921  -0.925
   77    HZ2  TRP   8          2HZ       TRP   8   0.268  -9.981  -0.594
   78    HZ3  TRP   8          3HZ       TRP   8  -1.368  -6.023  -0.466
   79    HH2  TRP   8          2HH       TRP   8   0.572  -7.547  -0.293
   80    H    GLU   9           H        GLU   9  -8.395  -9.237  -0.387
   81    HA   GLU   9           HA       GLU   9  -9.607  -7.163  -1.968
   82   1HB   GLU   9          2HB       GLU   9 -10.872  -9.355  -0.288
   83   2HB   GLU   9          1HB       GLU   9 -11.753  -8.290  -1.397
   84   1HG   GLU   9          2HG       GLU   9  -9.576 -10.307  -2.132
   85   2HG   GLU   9          1HG       GLU   9 -11.298 -10.396  -2.542
   86    H    THR  10           H        THR  10  -9.419  -7.769   1.489
   87    HA   THR  10           HA       THR  10 -11.240  -5.795   2.400
   88    HB   THR  10           HB       THR  10  -8.709  -6.919   3.681
   89    HG1  THR  10           HG1      THR  10 -10.450  -8.392   3.200
   90   1HG2  THR  10          1HG2      THR  10 -10.977  -5.384   5.026
   91   2HG2  THR  10          3HG2      THR  10  -9.634  -6.205   5.856
   92   3HG2  THR  10          2HG2      THR  10  -9.309  -4.800   4.816
   93    H    VAL  11           H        VAL  11  -7.766  -5.649   1.776
   94    HA   VAL  11           HA       VAL  11  -7.469  -2.897   2.571
   95    HB   VAL  11           HB       VAL  11  -5.180  -3.081   1.845
   96   1HG1  VAL  11          1HG1      VAL  11  -6.093  -5.543   3.378
   97   2HG1  VAL  11          3HG1      VAL  11  -4.426  -4.932   3.311
   98   3HG1  VAL  11          2HG1      VAL  11  -5.707  -3.946   4.051
   99   1HG2  VAL  11          1HG2      VAL  11  -5.389  -4.350  -0.224
  100   2HG2  VAL  11          3HG2      VAL  11  -4.228  -5.139   0.865
  101   3HG2  VAL  11          2HG2      VAL  11  -5.866  -5.800   0.689
  102    H    CYS  12           H        CYS  12  -8.173  -4.485  -0.431
  103    HA   CYS  12           HA       CYS  12  -7.304  -3.191  -2.544
  104   1HB   CYS  12          2HB       CYS  12 -10.118  -3.971  -1.865
  105   2HB   CYS  12          1HB       CYS  12  -9.851  -3.055  -3.339
  106    HA   PRO  13           HA       PRO  13 -10.033   0.764  -2.539
  107   1HB   PRO  13          2HB       PRO  13 -11.459   1.459  -0.295
  108   2HB   PRO  13          1HB       PRO  13 -12.106   0.354  -1.551
  109   1HG   PRO  13          1HG       PRO  13 -10.706  -0.366   1.067
  110   2HG   PRO  13          2HG       PRO  13 -12.272  -0.970   0.430
  111   1HD   PRO  13          1HD       PRO  13 -10.021  -2.409   0.062
  112   2HD   PRO  13          2HD       PRO  13 -11.226  -2.266  -1.262
  113    H    THR  14           H        THR  14  -8.848   0.091   0.730
  114    HA   THR  14           HA       THR  14  -8.106   2.710   1.486
  115    HB   THR  14           HB       THR  14  -6.885   0.076   2.429
  116    HG1  THR  14           HG1      THR  14  -8.585   0.205   4.002
  117   1HG2  THR  14          1HG2      THR  14  -7.198   2.771   3.833
  118   2HG2  THR  14          3HG2      THR  14  -6.552   1.286   4.571
  119   3HG2  THR  14          2HG2      THR  14  -5.669   2.078   3.244
  120    H    VAL  15           H        VAL  15  -6.130   0.069   0.182
  121    HA   VAL  15           HA       VAL  15  -3.685   1.544   0.043
  122    HB   VAL  15           HB       VAL  15  -2.796  -0.322  -1.204
  123   1HG1  VAL  15          1HG1      VAL  15  -4.547  -1.211   1.113
  124   2HG1  VAL  15          3HG1      VAL  15  -3.177  -2.131   0.447
  125   3HG1  VAL  15          2HG1      VAL  15  -2.899  -0.547   1.208
  126   1HG2  VAL  15          2HG2      VAL  15  -5.619  -1.443  -1.348
  127   2HG2  VAL  15          1HG2      VAL  15  -4.626  -0.886  -2.715
  128   3HG2  VAL  15          3HG2      VAL  15  -4.136  -2.316  -1.784
  129    H    GLU  16           H        GLU  16  -6.312   1.094  -2.178
  130    HA   GLU  16           HA       GLU  16  -5.327   1.390  -4.682
  131   1HB   GLU  16          2HB       GLU  16  -7.696   1.075  -4.150
  132   2HB   GLU  16          1HB       GLU  16  -7.817   2.741  -3.575
  133   1HG   GLU  16          2HG       GLU  16  -7.275   3.559  -5.873
  134   2HG   GLU  16          1HG       GLU  16  -7.208   1.874  -6.436
  135    HA   PRO  17           HA       PRO  17  -5.462   6.275  -4.645
  136   1HB   PRO  17          2HB       PRO  17  -4.897   7.453  -2.183
  137   2HB   PRO  17          1HB       PRO  17  -6.547   7.207  -2.835
  138   1HG   PRO  17          1HG       PRO  17  -4.968   5.418  -0.933
  139   2HG   PRO  17          2HG       PRO  17  -6.654   6.020  -0.775
  140   1HD   PRO  17          1HD       PRO  17  -6.257   3.562  -1.727
  141   2HD   PRO  17          2HD       PRO  17  -7.437   4.624  -2.561
  142    H    TRP  18           H        TRP  18  -3.370   4.940  -2.073
  143    HA   TRP  18           HA       TRP  18  -1.098   6.552  -2.719
  144   1HB   TRP  18          2HB       TRP  18  -1.000   3.861  -1.298
  145   2HB   TRP  18          1HB       TRP  18   0.162   5.199  -1.186
  146    HD1  TRP  18          1HD       TRP  18  -1.530   7.746  -0.436
  147    HE1  TRP  18          1HE       TRP  18  -2.986   7.903   1.617
  148    HE3  TRP  18          3HE       TRP  18  -2.009   2.752   0.505
  149    HZ2  TRP  18          2HZ       TRP  18  -4.199   6.096   3.444
  150    HZ3  TRP  18          3HZ       TRP  18  -3.350   2.010   2.444
  151    HH2  TRP  18          2HH       TRP  18  -4.442   3.678   3.908
  152    H    ALA  19           H        ALA  19  -1.763   3.117  -3.309
  153    HA   ALA  19           HA       ALA  19   0.489   2.343  -4.724
  154   1HB   ALA  19          1HB       ALA  19  -2.406   1.482  -5.193
  155   2HB   ALA  19          3HB       ALA  19  -0.964   0.593  -5.743
  156   3HB   ALA  19          2HB       ALA  19  -1.282   0.783  -4.002
  157    H    LYS  20           H        LYS  20  -2.494   3.705  -6.045
  158    HA   LYS  20           HA       LYS  20  -1.848   3.868  -8.776
  159   1HB   LYS  20          2HB       LYS  20  -4.097   4.289  -7.869
  160   2HB   LYS  20          1HB       LYS  20  -3.521   5.732  -7.026
  161   1HG   LYS  20          2HG       LYS  20  -3.014   6.802  -9.214
  162   2HG   LYS  20          1HG       LYS  20  -3.606   5.357 -10.050
  163   1HD   LYS  20          2HD       LYS  20  -5.859   5.708  -9.089
  164   2HD   LYS  20          1HD       LYS  20  -5.273   7.126  -8.204
  165   1HE   LYS  20          2HE       LYS  20  -5.335   6.856 -11.247
  166   2HE   LYS  20          1HE       LYS  20  -6.515   7.760 -10.271
  167   1HZ   LYS  20          1HZ       LYS  20  -3.600   8.285 -10.391
  168   2HZ   LYS  20          3HZ       LYS  20  -4.805   9.189 -11.174
  169   3HZ   LYS  20          2HZ       LYS  20  -4.735   9.155  -9.477
  170    H    LYS  21           H        LYS  21  -1.518   6.343  -6.259
  171    HA   LYS  21           HA       LYS  21   0.258   8.031  -7.873
  172   1HB   LYS  21          2HB       LYS  21  -0.729   8.279  -4.997
  173   2HB   LYS  21          1HB       LYS  21   0.167   9.520  -5.889
  174   1HG   LYS  21          2HG       LYS  21  -1.665   9.756  -7.504
  175   2HG   LYS  21          1HG       LYS  21  -2.570   8.457  -6.712
  176   1HD   LYS  21          2HD       LYS  21  -1.785  11.069  -5.350
  177   2HD   LYS  21          1HD       LYS  21  -3.348  10.782  -6.125
  178   1HE   LYS  21          2HE       LYS  21  -3.877   8.999  -4.536
  179   2HE   LYS  21          1HE       LYS  21  -2.265   9.116  -3.799
  180   1HZ   LYS  21          1HZ       LYS  21  -4.310  11.259  -3.876
  181   2HZ   LYS  21          3HZ       LYS  21  -3.914  10.305  -2.528
  182   3HZ   LYS  21          2HZ       LYS  21  -2.768  11.381  -3.175
  183    H    CYS  22           H        CYS  22   1.542   5.771  -7.772
  184    HA   CYS  22           HA       CYS  22   3.957   6.302  -6.270
  185   1HB   CYS  22          2HB       CYS  22   2.452   5.201  -4.552
  186   2HB   CYS  22          1HB       CYS  22   2.387   3.763  -5.586
  187    H    SER  23           H        SER  23   5.517   4.426  -6.552
  188    HA   SER  23           HA       SER  23   5.143   2.891  -9.058
  189   1HB   SER  23          2HB       SER  23   7.446   4.835  -8.514
  190   2HB   SER  23          1HB       SER  23   7.338   3.736  -9.909
  191    HG   SER  23           HG       SER  23   5.469   5.805  -9.269
  192    H    GLY  24           H        GLY  24   7.275   1.670  -9.484
  193   1HA   GLY  24          2HA       GLY  24   9.156   0.441  -8.674
  194   2HA   GLY  24          1HA       GLY  24   8.576   0.668  -7.019
  195    H    ASP  25           H        ASP  25   9.377  -1.685  -7.509
  196    HA   ASP  25           HA       ASP  25   7.735  -3.596  -8.789
  197   1HB   ASP  25          2HB       ASP  25   9.663  -3.918  -6.442
  198   2HB   ASP  25          1HB       ASP  25   8.978  -5.256  -7.376
  199    H    ILE  26           H        ILE  26   7.827  -2.509  -5.431
  200    HA   ILE  26           HA       ILE  26   5.979  -4.365  -4.335
  201    HB   ILE  26           HB       ILE  26   6.485  -1.517  -3.411
  202   1HG1  ILE  26          2HG1      ILE  26   8.650  -2.610  -3.663
  203   2HG1  ILE  26          1HG1      ILE  26   8.261  -2.374  -1.963
  204   1HG2  ILE  26          1HG2      ILE  26   5.553  -3.988  -1.888
  205   2HG2  ILE  26          3HG2      ILE  26   5.932  -2.411  -1.165
  206   3HG2  ILE  26          2HG2      ILE  26   4.571  -2.564  -2.297
  207   1HD1  ILE  26          1HD1      ILE  26   8.003  -5.008  -3.491
  208   2HD1  ILE  26          3HD1      ILE  26   9.290  -4.587  -2.340
  209   3HD1  ILE  26          2HD1      ILE  26   7.617  -4.773  -1.769
  210    H    ALA  27           H        ALA  27   5.516  -1.062  -5.567
  211    HA   ALA  27           HA       ALA  27   2.756  -0.753  -5.165
  212   1HB   ALA  27          2HB       ALA  27   4.226   1.080  -5.946
  213   2HB   ALA  27          1HB       ALA  27   4.452   0.253  -7.504
  214   3HB   ALA  27          3HB       ALA  27   2.847   0.871  -7.047
  215    H    THR  28           H        THR  28   4.477  -2.110  -7.938
  216    HA   THR  28           HA       THR  28   2.271  -2.836  -9.554
  217    HB   THR  28           HB       THR  28   5.030  -4.126  -9.344
  218    HG1  THR  28           HG1      THR  28   4.035  -2.007 -10.980
  219   1HG2  THR  28          1HG2      THR  28   3.035  -4.168 -11.658
  220   2HG2  THR  28          3HG2      THR  28   4.693  -4.816 -11.695
  221   3HG2  THR  28          2HG2      THR  28   3.473  -5.560 -10.640
  222    H    TYR  29           H        TYR  29   3.889  -4.535  -6.922
  223    HA   TYR  29           HA       TYR  29   2.746  -7.113  -7.324
  224   1HB   TYR  29          2HB       TYR  29   4.760  -6.750  -5.961
  225   2HB   TYR  29          1HB       TYR  29   3.825  -5.827  -4.782
  226    HD1  TYR  29          1HD       TYR  29   1.860  -7.051  -3.582
  227    HD2  TYR  29          2HD       TYR  29   5.005  -9.069  -5.702
  228    HE1  TYR  29          1HE       TYR  29   1.302  -9.147  -2.417
  229    HE2  TYR  29          2HE       TYR  29   4.444 -11.170  -4.526
  230    HH   TYR  29           HH       TYR  29   1.731 -11.335  -2.205
  231    H    ILE  30           H        ILE  30   1.902  -4.598  -4.948
  232    HA   ILE  30           HA       ILE  30  -0.384  -5.764  -3.834
  233    HB   ILE  30           HB       ILE  30   0.273  -2.826  -4.291
  234   1HG1  ILE  30          2HG1      ILE  30   0.703  -4.547  -1.818
  235   2HG1  ILE  30          1HG1      ILE  30   1.965  -4.132  -2.981
  236   1HG2  ILE  30          1HG2      ILE  30  -1.775  -4.043  -2.386
  237   2HG2  ILE  30          3HG2      ILE  30  -1.301  -2.329  -2.431
  238   3HG2  ILE  30          2HG2      ILE  30  -2.128  -3.052  -3.820
  239   1HD1  ILE  30          2HD1      ILE  30   1.660  -1.722  -2.462
  240   2HD1  ILE  30          1HD1      ILE  30   0.399  -2.137  -1.277
  241   3HD1  ILE  30          3HD1      ILE  30   2.077  -2.653  -1.007
  242    H    LYS  31           H        LYS  31  -0.111  -3.567  -6.583
  243    HA   LYS  31           HA       LYS  31  -2.751  -3.251  -7.395
  244   1HB   LYS  31          2HB       LYS  31  -0.848  -2.071  -8.373
  245   2HB   LYS  31          1HB       LYS  31  -0.209  -3.560  -9.048
  246   1HG   LYS  31          2HG       LYS  31  -2.866  -2.329  -9.879
  247   2HG   LYS  31          1HG       LYS  31  -1.334  -1.986 -10.680
  248   1HD   LYS  31          2HD       LYS  31  -2.811  -4.657 -10.612
  249   2HD   LYS  31          1HD       LYS  31  -2.542  -3.596 -11.990
  250   1HE   LYS  31          2HE       LYS  31  -0.119  -4.029 -11.932
  251   2HE   LYS  31          1HE       LYS  31  -0.321  -5.062 -10.496
  252   1HZ   LYS  31          2HZ       LYS  31  -1.760  -6.492 -11.768
  253   2HZ   LYS  31          1HZ       LYS  31  -1.554  -5.517 -13.144
  254   3HZ   LYS  31          3HZ       LYS  31  -0.231  -6.364 -12.498
  255    H    ARG  32           H        ARG  32  -0.502  -5.861  -8.243
  256    HA   ARG  32           HA       ARG  32  -2.230  -7.354  -9.920
  257   1HB   ARG  32          2HB       ARG  32   0.246  -7.645  -9.801
  258   2HB   ARG  32          1HB       ARG  32   0.066  -8.390  -8.205
  259   1HG   ARG  32          2HG       ARG  32  -1.326 -10.193  -9.203
  260   2HG   ARG  32          1HG       ARG  32  -1.120  -9.453 -10.800
  261   1HD   ARG  32          2HD       ARG  32   1.332  -9.836 -10.661
  262   2HD   ARG  32          1HD       ARG  32   1.121 -10.578  -9.054
  263    HE   ARG  32           HE       ARG  32  -0.591 -11.902 -10.887
  264   1HH1  ARG  32          2HH2      ARG  32   2.833 -11.492 -10.214
  265   2HH1  ARG  32          1HH2      ARG  32   3.266 -13.036 -10.870
  266   1HH2  ARG  32          2HH1      ARG  32  -0.001 -13.921 -11.743
  267   2HH2  ARG  32          1HH1      ARG  32   1.660 -14.411 -11.736
  268    H    GLU  33           H        GLU  33  -1.701  -7.490  -6.409
  269    HA   GLU  33           HA       GLU  33  -3.031  -9.941  -5.897
  270   1HB   GLU  33          2HB       GLU  33  -2.902  -7.567  -3.996
  271   2HB   GLU  33          1HB       GLU  33  -3.131  -9.269  -3.587
  272   1HG   GLU  33          2HG       GLU  33  -0.594  -7.979  -4.647
  273   2HG   GLU  33          1HG       GLU  33  -0.866  -8.599  -3.029
  274    H    CYS  34           H        CYS  34  -4.243  -6.646  -5.344
  275    HA   CYS  34           HA       CYS  34  -6.943  -7.367  -4.810
  276   1HB   CYS  34          2HB       CYS  34  -6.006  -5.217  -4.093
  277   2HB   CYS  34          1HB       CYS  34  -5.731  -4.736  -5.779
  278    H    GLY  35           H        GLY  35  -5.422  -5.991  -7.681
  279   1HA   GLY  35          2HA       GLY  35  -7.662  -5.661  -9.329
  280   2HA   GLY  35          1HA       GLY  35  -5.996  -5.810  -9.903
  281    H    LYS  36           H        LYS  36  -5.249  -8.271  -9.500
  282    HA   LYS  36           HA       LYS  36  -6.903  -9.900 -11.278
  283   1HB   LYS  36          2HB       LYS  36  -4.361  -9.721 -11.372
  284   2HB   LYS  36          1HB       LYS  36  -4.308 -10.666  -9.877
  285   1HG   LYS  36          2HG       LYS  36  -5.572 -12.509 -11.073
  286   2HG   LYS  36          1HG       LYS  36  -5.400 -11.576 -12.563
  287   1HD   LYS  36          2HD       LYS  36  -3.118 -12.661 -10.854
  288   2HD   LYS  36          1HD       LYS  36  -3.682 -13.350 -12.380
  289   1HE   LYS  36          2HE       LYS  36  -2.411 -10.592 -12.042
  290   2HE   LYS  36          1HE       LYS  36  -1.615 -12.036 -12.706
  291   1HZ   LYS  36          2HZ       LYS  36  -3.255 -12.089 -14.456
  292   2HZ   LYS  36          1HZ       LYS  36  -4.017 -10.709 -13.822
  293   3HZ   LYS  36          3HZ       LYS  36  -2.437 -10.600 -14.441
  294    H    LEU  37           H        LEU  37  -8.492  -9.551  -9.284
  295    HA   LEU  37           HA       LEU  37  -9.061 -12.135  -8.240
  296   1HB   LEU  37          2HB       LEU  37  -7.167 -11.280  -6.686
  297   2HB   LEU  37          1HB       LEU  37  -8.322 -10.107  -6.088
  298    HG   LEU  37           HG       LEU  37  -8.244 -11.948  -4.573
  299   1HD1  LEU  37          2HD1      LEU  37 -10.523 -11.098  -4.861
  300   2HD1  LEU  37          1HD1      LEU  37 -10.815 -12.274  -6.162
  301   3HD1  LEU  37          3HD1      LEU  37 -10.533 -12.836  -4.504
  302   1HD2  LEU  37          1HD2      LEU  37  -7.240 -13.636  -6.005
  303   2HD2  LEU  37          3HD2      LEU  37  -8.696 -14.303  -5.233
  304   3HD2  LEU  37          2HD2      LEU  37  -8.747 -13.800  -6.935
  305   1H    TRP   1          1H        TRP   1  -5.400   0.988  11.905
  306   2H    TRP   1          3H        TRP   1  -5.327   2.301  10.830
  307   3H    TRP   1          2H        TRP   1  -6.798   1.894  11.579
  308    HA   TRP   1           HA       TRP   1  -6.812   1.172   9.314
  309   1HB   TRP   1          2HB       TRP   1  -4.299   1.028   9.192
  310   2HB   TRP   1          1HB       TRP   1  -4.361  -0.474  10.116
  311    HD1  TRP   1          1HD       TRP   1  -6.331  -2.408   8.730
  312    HE1  TRP   1          1HE       TRP   1  -6.337  -2.997   6.283
  313    HE3  TRP   1          3HE       TRP   1  -3.557   1.527   7.019
  314    HZ2  TRP   1          2HZ       TRP   1  -5.293  -1.895   3.878
  315    HZ3  TRP   1          3HZ       TRP   1  -3.058   1.691   4.604
  316    HH2  TRP   1          2HH       TRP   1  -3.932  -0.017   3.039
  317    H    SER   2           H        SER   2  -5.459  -1.354  11.401
  318    HA   SER   2           HA       SER   2  -8.000  -2.336  12.400
  319   1HB   SER   2          2HB       SER   2  -6.407  -3.970  10.376
  320   2HB   SER   2          1HB       SER   2  -7.680  -4.653  11.405
  321    HG   SER   2           HG       SER   2  -8.495  -4.073   9.332
  322    H    THR   3           H        THR   3  -7.628  -4.456  13.606
  323    HA   THR   3           HA       THR   3  -5.250  -4.277  15.258
  324    HB   THR   3           HB       THR   3  -7.412  -6.430  15.175
  325    HG1  THR   3           HG1      THR   3  -7.107  -4.105  16.807
  326   1HG2  THR   3          2HG2      THR   3  -5.341  -7.194  16.349
  327   2HG2  THR   3          1HG2      THR   3  -5.391  -5.736  17.365
  328   3HG2  THR   3          3HG2      THR   3  -6.686  -6.950  17.486
  329    H    ILE   4           H        ILE   4  -6.570  -6.919  13.269
  330    HA   ILE   4           HA       ILE   4  -3.989  -8.252  13.057
  331    HB   ILE   4           HB       ILE   4  -6.732  -8.845  11.917
  332   1HG1  ILE   4          2HG1      ILE   4  -6.555 -10.917  13.345
  333   2HG1  ILE   4          1HG1      ILE   4  -5.102 -10.225  14.070
  334   1HG2  ILE   4          1HG2      ILE   4  -4.212 -10.502  11.533
  335   2HG2  ILE   4          3HG2      ILE   4  -5.863 -11.033  11.133
  336   3HG2  ILE   4          2HG2      ILE   4  -5.138  -9.667  10.263
  337   1HD1  ILE   4          1HD1      ILE   4  -7.887  -8.982  14.186
  338   2HD1  ILE   4          3HD1      ILE   4  -7.092  -9.885  15.495
  339   3HD1  ILE   4          2HD1      ILE   4  -6.420  -8.336  14.960
  340    H    VAL   5           H        VAL   5  -6.266  -6.762  10.768
  341    HA   VAL   5           HA       VAL   5  -4.864  -7.382   8.418
  342    HB   VAL   5           HB       VAL   5  -6.692  -4.998   8.805
  343   1HG1  VAL   5          1HG1      VAL   5  -5.975  -6.536   6.292
  344   2HG1  VAL   5          3HG1      VAL   5  -7.194  -5.245   6.407
  345   3HG1  VAL   5          2HG1      VAL   5  -5.483  -4.876   6.696
  346   1HG2  VAL   5          2HG2      VAL   5  -7.436  -7.858   8.091
  347   2HG2  VAL   5          1HG2      VAL   5  -7.842  -7.008   9.601
  348   3HG2  VAL   5          3HG2      VAL   5  -8.537  -6.462   8.060
  349    H    LYS   6           H        LYS   6  -4.646  -4.456  10.427
  350    HA   LYS   6           HA       LYS   6  -2.985  -2.859   8.843
  351   1HB   LYS   6          2HB       LYS   6  -3.924  -2.128  11.015
  352   2HB   LYS   6          1HB       LYS   6  -2.838  -3.231  11.871
  353   1HG   LYS   6          2HG       LYS   6  -0.877  -2.002  10.840
  354   2HG   LYS   6          1HG       LYS   6  -2.021  -0.838  10.170
  355   1HD   LYS   6          2HD       LYS   6  -1.742  -1.362  13.149
  356   2HD   LYS   6          1HD       LYS   6  -0.769  -0.170  12.290
  357   1HE   LYS   6          2HE       LYS   6  -2.572   1.026  13.326
  358   2HE   LYS   6          1HE       LYS   6  -2.948   0.963  11.590
  359   1HZ   LYS   6          1HZ       LYS   6  -4.023  -0.858  13.660
  360   2HZ   LYS   6          3HZ       LYS   6  -4.855   0.440  12.949
  361   3HZ   LYS   6          2HZ       LYS   6  -4.392  -0.892  12.004
  362    H    LEU   7           H        LEU   7  -1.974  -5.191  11.330
  363    HA   LEU   7           HA       LEU   7   0.801  -5.042  11.036
  364   1HB   LEU   7          2HB       LEU   7  -0.878  -7.495  11.726
  365   2HB   LEU   7          1HB       LEU   7   0.849  -7.302  12.055
  366    HG   LEU   7           HG       LEU   7  -1.375  -5.589  13.223
  367   1HD1  LEU   7          1HD1      LEU   7   0.300  -7.774  14.522
  368   2HD1  LEU   7          3HD1      LEU   7  -0.849  -6.711  15.369
  369   3HD1  LEU   7          2HD1      LEU   7  -1.437  -7.854  14.139
  370   1HD2  LEU   7          2HD2      LEU   7   1.609  -5.568  13.831
  371   2HD2  LEU   7          1HD2      LEU   7   0.687  -4.280  13.019
  372   3HD2  LEU   7          3HD2      LEU   7   0.365  -4.662  14.725
  373    H    THR   8           H        THR   8  -1.526  -6.965   9.234
  374    HA   THR   8           HA       THR   8   0.328  -8.630   7.841
  375    HB   THR   8           HB       THR   8  -2.512  -7.824   7.067
  376    HG1  THR   8           HG1      THR   8  -2.346  -8.752   9.168
  377   1HG2  THR   8          1HG2      THR   8  -0.875 -10.282   6.298
  378   2HG2  THR   8          3HG2      THR   8  -2.584 -10.007   5.897
  379   3HG2  THR   8          2HG2      THR   8  -1.331  -8.950   5.209
  380    H    ILE   9           H        ILE   9  -1.456  -5.723   6.794
  381    HA   ILE   9           HA       ILE   9  -0.288  -5.832   4.142
  382    HB   ILE   9           HB       ILE   9  -2.661  -5.241   4.597
  383   1HG1  ILE   9          2HG1      ILE   9  -2.803  -3.339   2.972
  384   2HG1  ILE   9          1HG1      ILE   9  -1.045  -3.179   3.069
  385   1HG2  ILE   9          2HG2      ILE   9  -2.415  -3.799   6.581
  386   2HG2  ILE   9          1HG2      ILE   9  -1.607  -2.564   5.593
  387   3HG2  ILE   9          3HG2      ILE   9  -3.300  -2.984   5.277
  388   1HD1  ILE   9          1HD1      ILE   9  -2.533  -5.664   2.113
  389   2HD1  ILE   9          3HD1      ILE   9  -1.724  -4.467   1.074
  390   3HD1  ILE   9          2HD1      ILE   9  -0.766  -5.476   2.179
  391    H    CYS  10           H        CYS  10  -0.125  -3.589   6.851
  392    HA   CYS  10           HA       CYS  10   1.198  -1.433   5.947
  393   1HB   CYS  10          2HB       CYS  10   1.436  -2.849   8.597
  394   2HB   CYS  10          1HB       CYS  10   2.369  -1.382   8.266
  395    HA   PRO  11           HA       PRO  11   5.710  -3.223   6.562
  396   1HB   PRO  11          2HB       PRO  11   5.903  -5.912   5.792
  397   2HB   PRO  11          1HB       PRO  11   5.857  -5.327   7.484
  398   1HG   PRO  11          1HG       PRO  11   3.558  -6.310   5.745
  399   2HG   PRO  11          2HG       PRO  11   3.965  -6.764   7.435
  400   1HD   PRO  11          1HD       PRO  11   2.062  -4.947   7.021
  401   2HD   PRO  11          2HD       PRO  11   3.294  -4.614   8.284
  402    H    THR  12           H        THR  12   3.664  -4.914   4.202
  403    HA   THR  12           HA       THR  12   5.314  -4.642   1.914
  404    HB   THR  12           HB       THR  12   2.260  -4.711   1.998
  405    HG1  THR  12           HG1      THR  12   4.173  -6.836   1.979
  406   1HG2  THR  12          2HG2      THR  12   3.186  -4.195  -0.254
  407   2HG2  THR  12          1HG2      THR  12   4.218  -5.638  -0.155
  408   3HG2  THR  12          3HG2      THR  12   2.448  -5.811  -0.207
  409    H    LEU  13           H        LEU  13   2.715  -2.580   3.179
  410    HA   LEU  13           HA       LEU  13   2.584  -0.687   1.093
  411   1HB   LEU  13          2HB       LEU  13   2.030  -0.241   4.058
  412   2HB   LEU  13          1HB       LEU  13   1.511   0.801   2.729
  413    HG   LEU  13           HG       LEU  13   0.632  -2.054   3.196
  414   1HD1  LEU  13          2HD1      LEU  13  -0.376  -0.516   4.809
  415   2HD1  LEU  13          1HD1      LEU  13  -0.897   0.559   3.493
  416   3HD1  LEU  13          3HD1      LEU  13  -1.598  -1.068   3.642
  417   1HD2  LEU  13          2HD2      LEU  13  -0.232  -0.124   1.007
  418   2HD2  LEU  13          1HD2      LEU  13   0.716  -1.616   0.793
  419   3HD2  LEU  13          3HD2      LEU  13  -0.971  -1.708   1.340
  420    H    LYS  14           H        LYS  14   4.643  -0.752   3.960
  421    HA   LYS  14           HA       LYS  14   5.801   1.839   3.691
  422   1HB   LYS  14          2HB       LYS  14   6.874  -0.709   4.975
  423   2HB   LYS  14          1HB       LYS  14   7.647   0.874   5.118
  424   1HG   LYS  14          2HG       LYS  14   4.822   0.227   6.068
  425   2HG   LYS  14          1HG       LYS  14   6.258   0.276   7.101
  426   1HD   LYS  14          2HD       LYS  14   6.553   2.690   6.542
  427   2HD   LYS  14          1HD       LYS  14   5.103   2.622   5.529
  428   1HE   LYS  14          2HE       LYS  14   4.630   3.616   7.747
  429   2HE   LYS  14          1HE       LYS  14   3.704   2.114   7.496
  430   1HZ   LYS  14          2HZ       LYS  14   5.395   0.950   8.767
  431   2HZ   LYS  14          1HZ       LYS  14   6.235   2.405   9.011
  432   3HZ   LYS  14          3HZ       LYS  14   4.685   2.200   9.675
  433    H    SER  15           H        SER  15   6.807  -1.353   2.542
  434    HA   SER  15           HA       SER  15   9.221  -0.661   1.264
  435   1HB   SER  15          2HB       SER  15   7.205  -2.802   0.425
  436   2HB   SER  15          1HB       SER  15   8.916  -2.716  -0.056
  437    HG   SER  15           HG       SER  15   7.966  -2.951   2.628
  438    H    MET  16           H        MET  16   5.891  -0.562   0.084
  439    HA   MET  16           HA       MET  16   6.401   0.325  -2.578
  440   1HB   MET  16          2HB       MET  16   4.222  -0.610  -1.775
  441   2HB   MET  16          1HB       MET  16   3.975   0.842  -0.802
  442   1HG   MET  16          2HG       MET  16   3.897   2.233  -2.811
  443   2HG   MET  16          1HG       MET  16   4.260   0.831  -3.832
  444   1HE   MET  16          1HE       MET  16   1.606   2.657  -1.564
  445   2HE   MET  16          3HE       MET  16   0.287   1.466  -1.489
  446   3HE   MET  16          2HE       MET  16   1.830   1.131  -0.671
  447    H    ALA  17           H        ALA  17   5.789   2.030   0.436
  448    HA   ALA  17           HA       ALA  17   5.551   4.682  -0.458
  449   1HB   ALA  17          2HB       ALA  17   4.937   3.969   1.811
  450   2HB   ALA  17          1HB       ALA  17   6.643   3.649   2.196
  451   3HB   ALA  17          3HB       ALA  17   6.104   5.308   1.872
  452    H    LYS  18           H        LYS  18   8.384   2.725   0.020
  453    HA   LYS  18           HA       LYS  18  10.472   4.461   0.355
  454   1HB   LYS  18          2HB       LYS  18  10.301   2.036  -1.484
  455   2HB   LYS  18          1HB       LYS  18  11.817   2.843  -1.092
  456   1HG   LYS  18          2HG       LYS  18  10.057   1.881   1.159
  457   2HG   LYS  18          1HG       LYS  18  11.004   0.703   0.252
  458   1HD   LYS  18          2HD       LYS  18  12.128   1.421   2.327
  459   2HD   LYS  18          1HD       LYS  18  13.084   1.776   0.890
  460   1HE   LYS  18          2HE       LYS  18  11.375   3.896   2.251
  461   2HE   LYS  18          1HE       LYS  18  13.046   3.556   2.742
  462   1HZ   LYS  18          1HZ       LYS  18  12.173   4.323   0.015
  463   2HZ   LYS  18          3HZ       LYS  18  12.931   5.342   1.142
  464   3HZ   LYS  18          2HZ       LYS  18  13.767   4.008   0.504
  465    H    LYS  19           H        LYS  19   8.839   3.777  -2.720
  466    HA   LYS  19           HA       LYS  19  10.004   6.266  -3.832
  467   1HB   LYS  19          2HB       LYS  19  10.476   5.150  -5.975
  468   2HB   LYS  19          1HB       LYS  19  11.449   4.507  -4.647
  469   1HG   LYS  19          2HG       LYS  19   9.942   2.540  -4.481
  470   2HG   LYS  19          1HG       LYS  19   8.965   3.171  -5.816
  471   1HD   LYS  19          2HD       LYS  19  11.888   2.323  -5.965
  472   2HD   LYS  19          1HD       LYS  19  10.509   1.422  -6.604
  473   1HE   LYS  19          2HE       LYS  19  11.507   4.140  -7.590
  474   2HE   LYS  19          1HE       LYS  19  11.662   2.583  -8.431
  475   1HZ   LYS  19          1HZ       LYS  19   9.111   3.912  -7.720
  476   2HZ   LYS  19          3HZ       LYS  19   9.818   3.876  -9.266
  477   3HZ   LYS  19          2HZ       LYS  19   9.277   2.437  -8.544
  478    H    CYS  20           H        CYS  20   7.550   6.206  -2.810
  479    HA   CYS  20           HA       CYS  20   5.672   6.240  -5.071
  480   1HB   CYS  20          2HB       CYS  20   5.354   7.116  -2.174
  481   2HB   CYS  20          1HB       CYS  20   4.069   7.179  -3.388
  482    H    GLU  21           H        GLU  21   4.236   8.371  -4.943
  483    HA   GLU  21           HA       GLU  21   5.849  10.444  -6.098
  484   1HB   GLU  21          2HB       GLU  21   2.907  10.496  -5.307
  485   2HB   GLU  21          1HB       GLU  21   3.715  11.643  -6.386
  486   1HG   GLU  21          2HG       GLU  21   3.293   8.665  -6.893
  487   2HG   GLU  21          1HG       GLU  21   2.481  10.006  -7.723
  488    H    GLY  22           H        GLY  22   4.761  12.774  -5.336
  489   1HA   GLY  22          2HA       GLY  22   6.692  13.885  -3.867
  490   2HA   GLY  22          1HA       GLY  22   5.061  14.554  -3.883
  491    H    SER  23           H        SER  23   3.550  13.234  -2.280
  492    HA   SER  23           HA       SER  23   4.957  12.582   0.243
  493   1HB   SER  23          2HB       SER  23   2.804  14.740   0.013
  494   2HB   SER  23          1HB       SER  23   3.487  14.125   1.537
  495    HG   SER  23           HG       SER  23   5.568  14.845   0.752
  496    H    ILE  24           H        ILE  24   3.694  10.915  -1.550
  497    HA   ILE  24           HA       ILE  24   1.118  10.100  -0.442
  498    HB   ILE  24           HB       ILE  24   2.989   8.805  -2.450
  499   1HG1  ILE  24          2HG1      ILE  24   2.104  10.883  -3.300
  500   2HG1  ILE  24          1HG1      ILE  24   1.329   9.538  -4.137
  501   1HG2  ILE  24          1HG2      ILE  24   0.162   7.980  -1.687
  502   2HG2  ILE  24          3HG2      ILE  24   1.086   7.324  -3.056
  503   3HG2  ILE  24          2HG2      ILE  24   1.652   7.053  -1.398
  504   1HD1  ILE  24          2HD1      ILE  24  -0.688   9.807  -2.697
  505   2HD1  ILE  24          1HD1      ILE  24   0.089  11.189  -1.890
  506   3HD1  ILE  24          3HD1      ILE  24  -0.317  11.284  -3.615
  507    H    ALA  25           H        ALA  25   4.455   8.969  -0.398
  508    HA   ALA  25           HA       ALA  25   4.384   6.722   1.209
  509   1HB   ALA  25          2HB       ALA  25   6.441   7.664   0.214
  510   2HB   ALA  25          1HB       ALA  25   6.368   9.043   1.333
  511   3HB   ALA  25          3HB       ALA  25   6.660   7.405   1.962
  512    H    THR  26           H        THR  26   4.251  10.099   2.208
  513    HA   THR  26           HA       THR  26   4.292   9.857   5.009
  514    HB   THR  26           HB       THR  26   2.757  11.861   3.288
  515    HG1  THR  26           HG1      THR  26   5.426  11.904   4.307
  516   1HG2  THR  26          1HG2      THR  26   3.797  12.133   6.149
  517   2HG2  THR  26          3HG2      THR  26   3.036  13.423   5.188
  518   3HG2  THR  26          2HG2      THR  26   2.086  12.001   5.675
  519    H    MET  27           H        MET  27   1.527   9.905   2.784
  520    HA   MET  27           HA       MET  27  -0.581   9.706   4.649
  521   1HB   MET  27          2HB       MET  27  -0.503   8.548   1.827
  522   2HB   MET  27          1HB       MET  27  -1.945   8.935   2.777
  523   1HG   MET  27          2HG       MET  27  -1.410  11.327   2.694
  524   2HG   MET  27          1HG       MET  27   0.092  10.980   1.816
  525   1HE   MET  27          1HE       MET  27  -0.528  12.643  -0.119
  526   2HE   MET  27          3HE       MET  27  -2.089  12.641  -0.975
  527   3HE   MET  27          2HE       MET  27  -2.020  13.072   0.751
  528    H    ILE  28           H        ILE  28   1.011   7.164   2.764
  529    HA   ILE  28           HA       ILE  28  -0.280   4.867   3.649
  530    HB   ILE  28           HB       ILE  28   2.660   5.299   2.972
  531   1HG1  ILE  28          2HG1      ILE  28   0.436   4.246   1.196
  532   2HG1  ILE  28          1HG1      ILE  28   1.022   5.912   1.168
  533   1HG2  ILE  28          1HG2      ILE  28   1.113   2.689   3.144
  534   2HG2  ILE  28          3HG2      ILE  28   2.764   2.861   2.500
  535   3HG2  ILE  28          2HG2      ILE  28   2.444   3.198   4.208
  536   1HD1  ILE  28          2HD1      ILE  28   3.294   5.093   0.532
  537   2HD1  ILE  28          1HD1      ILE  28   2.679   3.423   0.524
  538   3HD1  ILE  28          3HD1      ILE  28   2.059   4.604  -0.647
  539    H    LYS  29           H        LYS  29   2.577   6.441   5.007
  540    HA   LYS  29           HA       LYS  29   3.174   4.662   7.092
  541   1HB   LYS  29          2HB       LYS  29   4.684   6.461   6.324
  542   2HB   LYS  29          1HB       LYS  29   3.581   7.686   6.940
  543   1HG   LYS  29          2HG       LYS  29   3.971   6.342   9.253
  544   2HG   LYS  29          1HG       LYS  29   5.436   5.810   8.418
  545   1HD   LYS  29          2HD       LYS  29   6.174   7.686   9.593
  546   2HD   LYS  29          1HD       LYS  29   5.857   8.350   7.985
  547   1HE   LYS  29          2HE       LYS  29   4.002   8.557  10.407
  548   2HE   LYS  29          1HE       LYS  29   5.011   9.860   9.749
  549   1HZ   LYS  29          2HZ       LYS  29   3.771   9.723   7.693
  550   2HZ   LYS  29          1HZ       LYS  29   2.802   8.488   8.337
  551   3HZ   LYS  29          3HZ       LYS  29   2.747  10.046   9.010
  552    H    LYS  30           H        LYS  30   1.270   7.638   7.164
  553    HA   LYS  30           HA       LYS  30   0.772   7.962   9.864
  554   1HB   LYS  30          2HB       LYS  30   0.150   9.349   7.700
  555   2HB   LYS  30          1HB       LYS  30  -1.377   8.480   7.787
  556   1HG   LYS  30          2HG       LYS  30  -0.219  10.429   9.804
  557   2HG   LYS  30          1HG       LYS  30  -1.648  10.639   8.796
  558   1HD   LYS  30          2HD       LYS  30  -2.696  10.162  10.767
  559   2HD   LYS  30          1HD       LYS  30  -2.517   8.511  10.165
  560   1HE   LYS  30          2HE       LYS  30  -1.870   8.566  12.517
  561   2HE   LYS  30          1HE       LYS  30  -0.401   8.301  11.553
  562   1HZ   LYS  30          2HZ       LYS  30   0.072  10.640  11.682
  563   2HZ   LYS  30          1HZ       LYS  30  -1.323  10.901  12.613
  564   3HZ   LYS  30          3HZ       LYS  30  -0.052   9.959  13.231
  565    H    LYS  31           H        LYS  31  -1.234   6.223   7.507
  566    HA   LYS  31           HA       LYS  31  -3.374   5.405   9.088
  567   1HB   LYS  31          2HB       LYS  31  -2.023   3.980   6.759
  568   2HB   LYS  31          1HB       LYS  31  -3.593   3.519   7.429
  569   1HG   LYS  31          2HG       LYS  31  -2.944   6.247   6.231
  570   2HG   LYS  31          1HG       LYS  31  -3.757   4.936   5.379
  571   1HD   LYS  31          2HD       LYS  31  -4.801   6.407   7.836
  572   2HD   LYS  31          1HD       LYS  31  -5.383   6.592   6.177
  573   1HE   LYS  31          2HE       LYS  31  -5.615   4.064   7.882
  574   2HE   LYS  31          1HE       LYS  31  -6.930   5.180   7.460
  575   1HZ   LYS  31          2HZ       LYS  31  -6.576   4.669   5.145
  576   2HZ   LYS  31          1HZ       LYS  31  -5.313   3.607   5.542
  577   3HZ   LYS  31          3HZ       LYS  31  -6.902   3.256   6.027
  578    H    CYS  32           H        CYS  32  -0.385   3.592   8.442
  579    HA   CYS  32           HA       CYS  32  -0.916   1.384  10.161
  580   1HB   CYS  32          2HB       CYS  32   1.713   2.579   9.167
  581   2HB   CYS  32          1HB       CYS  32   1.571   1.021  10.004
  582    H    ASP  33           H        ASP  33   1.408   4.036  10.700
  583    HA   ASP  33           HA       ASP  33   0.402   4.458  13.436
  584   1HB   ASP  33          2HB       ASP  33   3.290   3.703  12.776
  585   2HB   ASP  33          1HB       ASP  33   2.793   4.421  14.317
  586    H    LYS  34           H        LYS  34   1.178   6.323  14.421
  587    HA   LYS  34           HA       LYS  34   1.349   8.610  12.702
  588   1HB   LYS  34          2HB       LYS  34   1.482   9.875  14.840
  589   2HB   LYS  34          1HB       LYS  34   0.150   8.719  14.804
  590   1HG   LYS  34          2HG       LYS  34   2.500   7.435  15.942
  591   2HG   LYS  34          1HG       LYS  34   2.230   8.980  16.752
  592   1HD   LYS  34          2HD       LYS  34   1.068   7.260  17.988
  593   2HD   LYS  34          1HD       LYS  34  -0.130   8.307  17.220
  594   1HE   LYS  34          2HE       LYS  34  -0.840   5.973  17.048
  595   2HE   LYS  34          1HE       LYS  34  -0.457   6.584  15.426
  596   1HZ   LYS  34          1HZ       LYS  34   1.334   4.973  17.152
  597   2HZ   LYS  34          3HZ       LYS  34   0.483   4.410  15.794
  598   3HZ   LYS  34          2HZ       LYS  34   1.713   5.563  15.606
   
  No H/Q in entry =         598
  Start of MODEL          16
 Raw file had  604 H/Q atoms
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1   3.076 -18.195   1.892
    2   2H    GLY   1          3H        GLY   1   2.431 -18.601   0.372
    3   3H    GLY   1          2H        GLY   1   3.153 -17.081   0.610
    4   1HA   GLY   1          2HA       GLY   1   0.765 -16.895   0.576
    5   2HA   GLY   1          1HA       GLY   1   0.681 -18.062   1.909
    6    H    VAL   2           H        VAL   2   2.473 -15.105   1.079
    7    HA   VAL   2           HA       VAL   2   2.867 -14.182   3.732
    8    HB   VAL   2           HB       VAL   2   4.218 -13.470   1.827
    9   1HG1  VAL   2          2HG1      VAL   2   2.548 -13.248   0.060
   10   2HG1  VAL   2          1HG1      VAL   2   1.833 -11.837   0.879
   11   3HG1  VAL   2          3HG1      VAL   2   3.484 -11.747   0.235
   12   1HG2  VAL   2          1HG2      VAL   2   4.282 -12.110   3.832
   13   2HG2  VAL   2          3HG2      VAL   2   4.428 -11.071   2.396
   14   3HG2  VAL   2          2HG2      VAL   2   2.886 -11.156   3.279
   15    H    ILE   3           H        ILE   3   0.426 -13.338   1.317
   16    HA   ILE   3           HA       ILE   3  -1.428 -12.489   3.458
   17    HB   ILE   3           HB       ILE   3  -0.776 -10.855   0.975
   18   1HG1  ILE   3          2HG1      ILE   3  -0.259 -10.292   3.915
   19   2HG1  ILE   3          1HG1      ILE   3   0.943 -10.584   2.659
   20   1HG2  ILE   3          2HG2      ILE   3  -3.184 -10.751   1.454
   21   2HG2  ILE   3          1HG2      ILE   3  -2.845 -10.317   3.145
   22   3HG2  ILE   3          3HG2      ILE   3  -2.422  -9.195   1.829
   23   1HD1  ILE   3          1HD1      ILE   3  -0.895  -8.156   2.775
   24   2HD1  ILE   3          3HD1      ILE   3   0.825  -8.196   3.215
   25   3HD1  ILE   3          2HD1      ILE   3   0.337  -8.479   1.530
   26    HA   PRO   4           HA       PRO   4  -3.904 -15.079   0.746
   27   1HB   PRO   4          2HB       PRO   4  -6.186 -15.164   2.199
   28   2HB   PRO   4          1HB       PRO   4  -4.671 -15.872   2.853
   29   1HG   PRO   4          1HG       PRO   4  -5.829 -13.093   3.347
   30   2HG   PRO   4          2HG       PRO   4  -5.340 -14.317   4.565
   31   1HD   PRO   4          1HD       PRO   4  -3.636 -12.322   3.787
   32   2HD   PRO   4          2HD       PRO   4  -3.030 -13.971   4.161
   33    H    LYS   5           H        LYS   5  -6.059 -15.041  -0.287
   34    HA   LYS   5           HA       LYS   5  -6.442 -12.818  -1.946
   35   1HB   LYS   5          2HB       LYS   5  -7.227 -15.131  -2.437
   36   2HB   LYS   5          1HB       LYS   5  -8.463 -14.970  -1.180
   37   1HG   LYS   5          2HG       LYS   5  -9.417 -13.005  -2.485
   38   2HG   LYS   5          1HG       LYS   5  -8.252 -13.363  -3.765
   39   1HD   LYS   5          2HD       LYS   5 -10.423 -14.322  -4.339
   40   2HD   LYS   5          1HD       LYS   5  -9.259 -15.623  -4.044
   41   1HE   LYS   5          2HE       LYS   5 -11.471 -16.126  -3.038
   42   2HE   LYS   5          1HE       LYS   5 -10.218 -15.993  -1.787
   43   1HZ   LYS   5          1HZ       LYS   5 -12.115 -13.862  -2.587
   44   2HZ   LYS   5          3HZ       LYS   5 -12.211 -14.804  -1.177
   45   3HZ   LYS   5          2HZ       LYS   5 -10.916 -13.728  -1.395
   46    H    LYS   6           H        LYS   6  -8.362 -13.858   0.848
   47    HA   LYS   6           HA       LYS   6 -10.424 -12.011   0.859
   48   1HB   LYS   6          2HB       LYS   6 -10.236 -13.966   2.384
   49   2HB   LYS   6          1HB       LYS   6  -8.924 -13.143   3.247
   50   1HG   LYS   6          2HG       LYS   6 -10.461 -11.369   3.973
   51   2HG   LYS   6          1HG       LYS   6 -11.769 -12.071   3.017
   52   1HD   LYS   6          2HD       LYS   6 -12.143 -12.614   5.329
   53   2HD   LYS   6          1HD       LYS   6 -11.714 -14.099   4.476
   54   1HE   LYS   6          2HE       LYS   6  -9.713 -12.487   6.119
   55   2HE   LYS   6          1HE       LYS   6 -10.679 -13.819   6.783
   56   1HZ   LYS   6          2HZ       LYS   6  -9.726 -15.275   5.123
   57   2HZ   LYS   6          1HZ       LYS   6  -8.776 -14.005   4.520
   58   3HZ   LYS   6          3HZ       LYS   6  -8.526 -14.574   6.098
   59    H    ILE   7           H        ILE   7  -7.317 -11.703   2.576
   60    HA   ILE   7           HA       ILE   7  -7.737  -9.136   3.667
   61    HB   ILE   7           HB       ILE   7  -5.173 -10.575   2.940
   62   1HG1  ILE   7          2HG1      ILE   7  -6.532 -11.741   4.612
   63   2HG1  ILE   7          1HG1      ILE   7  -5.025 -11.137   5.312
   64   1HG2  ILE   7          1HG2      ILE   7  -5.478  -8.058   4.626
   65   2HG2  ILE   7          3HG2      ILE   7  -3.994  -9.026   4.489
   66   3HG2  ILE   7          2HG2      ILE   7  -4.646  -8.195   3.061
   67   1HD1  ILE   7          1HD1      ILE   7  -7.787  -9.859   5.625
   68   2HD1  ILE   7          3HD1      ILE   7  -6.925 -10.810   6.854
   69   3HD1  ILE   7          2HD1      ILE   7  -6.277  -9.239   6.334
   70    H    TRP   8           H        TRP   8  -6.204 -10.054   0.585
   71    HA   TRP   8           HA       TRP   8  -5.433  -7.501  -0.280
   72   1HB   TRP   8          2HB       TRP   8  -6.335  -9.932  -1.875
   73   2HB   TRP   8          1HB       TRP   8  -5.749  -8.442  -2.642
   74    HD1  TRP   8          1HD       TRP   8  -4.332 -11.706  -1.707
   75    HE1  TRP   8          1HE       TRP   8  -1.855 -11.624  -1.243
   76    HE3  TRP   8          3HE       TRP   8  -3.823  -6.634  -1.264
   77    HZ2  TRP   8          2HZ       TRP   8   0.095  -9.631  -0.751
   78    HZ3  TRP   8          3HZ       TRP   8  -1.586  -5.687  -0.814
   79    HH2  TRP   8          2HH       TRP   8   0.371  -7.182  -0.570
   80    H    GLU   9           H        GLU   9  -8.553  -9.124  -0.781
   81    HA   GLU   9           HA       GLU   9  -9.826  -7.062  -2.247
   82   1HB   GLU   9          2HB       GLU   9 -11.163  -9.003  -0.323
   83   2HB   GLU   9          1HB       GLU   9 -11.929  -8.137  -1.656
   84   1HG   GLU   9          2HG       GLU   9  -9.935 -10.432  -1.841
   85   2HG   GLU   9          1HG       GLU   9 -11.631 -10.428  -2.324
   86    H    THR  10           H        THR  10  -9.597  -7.637   1.225
   87    HA   THR  10           HA       THR  10 -11.423  -5.675   2.142
   88    HB   THR  10           HB       THR  10  -8.960  -6.887   3.469
   89    HG1  THR  10           HG1      THR  10 -10.647  -8.345   2.854
   90   1HG2  THR  10          1HG2      THR  10 -11.283  -5.411   4.784
   91   2HG2  THR  10          3HG2      THR  10  -9.983  -6.282   5.632
   92   3HG2  THR  10          2HG2      THR  10  -9.604  -4.829   4.682
   93    H    VAL  11           H        VAL  11  -7.878  -5.526   1.925
   94    HA   VAL  11           HA       VAL  11  -7.638  -2.782   2.662
   95    HB   VAL  11           HB       VAL  11  -5.329  -2.938   1.975
   96   1HG1  VAL  11          1HG1      VAL  11  -6.250  -5.460   3.400
   97   2HG1  VAL  11          3HG1      VAL  11  -4.585  -4.841   3.380
   98   3HG1  VAL  11          2HG1      VAL  11  -5.879  -3.888   4.142
   99   1HG2  VAL  11          1HG2      VAL  11  -5.503  -4.143  -0.141
  100   2HG2  VAL  11          3HG2      VAL  11  -4.352  -4.957   0.939
  101   3HG2  VAL  11          2HG2      VAL  11  -5.984  -5.625   0.716
  102    H    CYS  12           H        CYS  12  -8.448  -4.269  -0.277
  103    HA   CYS  12           HA       CYS  12  -7.126  -3.049  -2.293
  104   1HB   CYS  12          2HB       CYS  12  -9.049  -4.836  -2.226
  105   2HB   CYS  12          1HB       CYS  12 -10.100  -3.461  -2.576
  106    HA   PRO  13           HA       PRO  13 -10.205   0.607  -2.911
  107   1HB   PRO  13          2HB       PRO  13 -11.786   1.415  -0.812
  108   2HB   PRO  13          1HB       PRO  13 -12.304   0.171  -1.995
  109   1HG   PRO  13          1HG       PRO  13 -11.030  -0.231   0.751
  110   2HG   PRO  13          2HG       PRO  13 -12.506  -0.995   0.072
  111   1HD   PRO  13          1HD       PRO  13 -10.141  -2.291  -0.011
  112   2HD   PRO  13          2HD       PRO  13 -11.272  -2.375  -1.403
  113    H    THR  14           H        THR  14  -9.170   0.307   0.453
  114    HA   THR  14           HA       THR  14  -8.510   2.988   1.027
  115    HB   THR  14           HB       THR  14  -7.240   0.435   2.091
  116    HG1  THR  14           HG1      THR  14  -8.900   0.607   3.691
  117   1HG2  THR  14          1HG2      THR  14  -7.488   3.180   3.402
  118   2HG2  THR  14          3HG2      THR  14  -6.866   1.710   4.188
  119   3HG2  THR  14          2HG2      THR  14  -5.984   2.424   2.822
  120    H    VAL  15           H        VAL  15  -6.474   0.324  -0.122
  121    HA   VAL  15           HA       VAL  15  -4.059   1.863  -0.309
  122    HB   VAL  15           HB       VAL  15  -3.072  -0.086  -1.342
  123   1HG1  VAL  15          2HG1      VAL  15  -3.235  -0.065   1.086
  124   2HG1  VAL  15          1HG1      VAL  15  -4.850  -0.809   1.018
  125   3HG1  VAL  15          3HG1      VAL  15  -3.424  -1.726   0.477
  126   1HG2  VAL  15          1HG2      VAL  15  -4.861  -0.845  -2.821
  127   2HG2  VAL  15          3HG2      VAL  15  -4.331  -2.167  -1.760
  128   3HG2  VAL  15          2HG2      VAL  15  -5.848  -1.312  -1.417
  129    H    GLU  16           H        GLU  16  -6.662   1.243  -2.489
  130    HA   GLU  16           HA       GLU  16  -5.581   1.206  -5.004
  131   1HB   GLU  16          2HB       GLU  16  -7.935   0.851  -4.523
  132   2HB   GLU  16          1HB       GLU  16  -8.157   2.541  -4.093
  133   1HG   GLU  16          2HG       GLU  16  -7.370   1.577  -6.878
  134   2HG   GLU  16          1HG       GLU  16  -9.041   1.859  -6.363
  135    HA   PRO  17           HA       PRO  17  -5.844   5.991  -5.657
  136   1HB   PRO  17          2HB       PRO  17  -5.632   7.615  -3.427
  137   2HB   PRO  17          1HB       PRO  17  -7.196   7.070  -4.111
  138   1HG   PRO  17          1HG       PRO  17  -5.592   5.841  -1.824
  139   2HG   PRO  17          2HG       PRO  17  -7.333   6.278  -1.868
  140   1HD   PRO  17          1HD       PRO  17  -6.592   3.741  -2.327
  141   2HD   PRO  17          2HD       PRO  17  -7.870   4.486  -3.343
  142    H    TRP  18           H        TRP  18  -3.999   5.099  -2.766
  143    HA   TRP  18           HA       TRP  18  -1.680   6.657  -3.242
  144   1HB   TRP  18          2HB       TRP  18  -1.835   3.993  -1.767
  145   2HB   TRP  18          1HB       TRP  18  -0.562   5.217  -1.605
  146    HD1  TRP  18          1HD       TRP  18  -2.409   7.912  -1.317
  147    HE1  TRP  18          1HE       TRP  18  -3.760   8.307   0.774
  148    HE3  TRP  18          3HE       TRP  18  -2.631   3.087   0.335
  149    HZ2  TRP  18          2HZ       TRP  18  -4.824   6.735   2.879
  150    HZ3  TRP  18          3HZ       TRP  18  -3.835   2.584   2.438
  151    HH2  TRP  18          2HH       TRP  18  -4.925   4.409   3.710
  152    H    ALA  19           H        ALA  19  -2.490   3.345  -4.167
  153    HA   ALA  19           HA       ALA  19  -0.047   2.463  -5.218
  154   1HB   ALA  19          2HB       ALA  19  -1.982   0.972  -4.869
  155   2HB   ALA  19          1HB       ALA  19  -2.870   1.792  -6.175
  156   3HB   ALA  19          3HB       ALA  19  -1.402   0.863  -6.546
  157    H    LYS  20           H        LYS  20  -2.699   4.165  -6.856
  158    HA   LYS  20           HA       LYS  20  -1.579   4.386  -9.449
  159   1HB   LYS  20          2HB       LYS  20  -3.282   6.489  -8.049
  160   2HB   LYS  20          1HB       LYS  20  -3.090   6.261  -9.785
  161   1HG   LYS  20          2HG       LYS  20  -4.507   4.377  -7.868
  162   2HG   LYS  20          1HG       LYS  20  -5.275   5.485  -9.003
  163   1HD   LYS  20          2HD       LYS  20  -5.469   3.430 -10.080
  164   2HD   LYS  20          1HD       LYS  20  -4.048   4.142 -10.856
  165   1HE   LYS  20          2HE       LYS  20  -2.557   2.737  -9.450
  166   2HE   LYS  20          1HE       LYS  20  -3.976   2.066  -8.615
  167   1HZ   LYS  20          2HZ       LYS  20  -4.751   1.219 -10.720
  168   2HZ   LYS  20          1HZ       LYS  20  -3.400   1.873 -11.514
  169   3HZ   LYS  20          3HZ       LYS  20  -3.197   0.632 -10.371
  170    H    LYS  21           H        LYS  21  -1.467   6.633  -6.716
  171    HA   LYS  21           HA       LYS  21   0.594   8.311  -7.958
  172   1HB   LYS  21          2HB       LYS  21  -0.753   8.410  -5.225
  173   2HB   LYS  21          1HB       LYS  21   0.344   9.646  -5.875
  174   1HG   LYS  21          2HG       LYS  21  -1.258  10.085  -7.723
  175   2HG   LYS  21          1HG       LYS  21  -2.345   8.844  -7.079
  176   1HD   LYS  21          2HD       LYS  21  -3.162  11.022  -6.396
  177   2HD   LYS  21          1HD       LYS  21  -2.565  10.162  -4.968
  178   1HE   LYS  21          2HE       LYS  21  -0.437  11.476  -5.081
  179   2HE   LYS  21          1HE       LYS  21  -1.074  12.353  -6.492
  180   1HZ   LYS  21          1HZ       LYS  21  -2.304  12.270  -3.798
  181   2HZ   LYS  21          3HZ       LYS  21  -1.420  13.566  -4.448
  182   3HZ   LYS  21          2HZ       LYS  21  -2.902  13.117  -5.145
  183    H    CYS  22           H        CYS  22   1.556   5.804  -7.745
  184    HA   CYS  22           HA       CYS  22   3.927   6.173  -6.109
  185   1HB   CYS  22          2HB       CYS  22   2.227   5.123  -4.536
  186   2HB   CYS  22          1HB       CYS  22   2.178   3.716  -5.613
  187    H    SER  23           H        SER  23   5.423   4.274  -6.419
  188    HA   SER  23           HA       SER  23   5.101   2.779  -8.934
  189   1HB   SER  23          2HB       SER  23   7.320   4.850  -8.542
  190   2HB   SER  23          1HB       SER  23   7.186   3.725  -9.910
  191    HG   SER  23           HG       SER  23   5.283   5.739  -9.214
  192    H    GLY  24           H        GLY  24   7.458   1.851  -9.432
  193   1HA   GLY  24          2HA       GLY  24   9.322   0.607  -8.704
  194   2HA   GLY  24          1HA       GLY  24   8.822   0.858  -7.025
  195    H    ASP  25           H        ASP  25   9.623  -1.479  -7.403
  196    HA   ASP  25           HA       ASP  25   8.073  -3.476  -8.646
  197   1HB   ASP  25          2HB       ASP  25   9.890  -3.699  -6.198
  198   2HB   ASP  25          1HB       ASP  25   9.336  -5.055  -7.200
  199    H    ILE  26           H        ILE  26   8.029  -2.321  -5.297
  200    HA   ILE  26           HA       ILE  26   6.178  -4.228  -4.278
  201    HB   ILE  26           HB       ILE  26   6.682  -1.415  -3.262
  202   1HG1  ILE  26          2HG1      ILE  26   8.832  -2.543  -3.497
  203   2HG1  ILE  26          1HG1      ILE  26   8.411  -2.330  -1.799
  204   1HG2  ILE  26          1HG2      ILE  26   5.650  -3.913  -1.853
  205   2HG2  ILE  26          3HG2      ILE  26   6.040  -2.382  -1.049
  206   3HG2  ILE  26          2HG2      ILE  26   4.719  -2.449  -2.232
  207   1HD1  ILE  26          1HD1      ILE  26   8.141  -4.931  -3.387
  208   2HD1  ILE  26          3HD1      ILE  26   9.407  -4.558  -2.196
  209   3HD1  ILE  26          2HD1      ILE  26   7.718  -4.724  -1.669
  210    H    ALA  27           H        ALA  27   5.711  -0.902  -5.459
  211    HA   ALA  27           HA       ALA  27   2.951  -0.618  -5.054
  212   1HB   ALA  27          1HB       ALA  27   4.635   0.430  -7.378
  213   2HB   ALA  27          3HB       ALA  27   3.021   1.025  -6.920
  214   3HB   ALA  27          2HB       ALA  27   4.393   1.235  -5.810
  215    H    THR  28           H        THR  28   4.674  -1.957  -7.832
  216    HA   THR  28           HA       THR  28   2.481  -2.679  -9.460
  217    HB   THR  28           HB       THR  28   5.226  -3.992  -9.211
  218    HG1  THR  28           HG1      THR  28   5.702  -2.551 -10.957
  219   1HG2  THR  28          1HG2      THR  28   3.256  -4.049 -11.544
  220   2HG2  THR  28          3HG2      THR  28   4.908  -4.712 -11.554
  221   3HG2  THR  28          2HG2      THR  28   3.671  -5.431 -10.501
  222    H    TYR  29           H        TYR  29   4.175  -4.474  -6.928
  223    HA   TYR  29           HA       TYR  29   2.973  -7.009  -7.248
  224   1HB   TYR  29          2HB       TYR  29   4.941  -6.837  -5.910
  225   2HB   TYR  29          1HB       TYR  29   4.233  -5.608  -4.861
  226    HD1  TYR  29          1HD       TYR  29   3.464  -9.134  -5.976
  227    HD2  TYR  29          2HD       TYR  29   3.575  -6.292  -2.760
  228    HE1  TYR  29          1HE       TYR  29   2.674 -10.876  -4.407
  229    HE2  TYR  29          2HE       TYR  29   2.785  -8.034  -1.193
  230    HH   TYR  29           HH       TYR  29   2.048 -11.344  -2.303
  231    H    ILE  30           H        ILE  30   2.211  -4.561  -4.786
  232    HA   ILE  30           HA       ILE  30  -0.034  -5.695  -3.605
  233    HB   ILE  30           HB       ILE  30   0.602  -2.764  -4.149
  234   1HG1  ILE  30          2HG1      ILE  30   1.126  -4.375  -1.629
  235   2HG1  ILE  30          1HG1      ILE  30   2.341  -4.098  -2.881
  236   1HG2  ILE  30          1HG2      ILE  30  -1.349  -3.930  -2.118
  237   2HG2  ILE  30          3HG2      ILE  30  -0.867  -2.222  -2.218
  238   3HG2  ILE  30          2HG2      ILE  30  -1.769  -2.965  -3.551
  239   1HD1  ILE  30          2HD1      ILE  30   2.155  -1.644  -2.525
  240   2HD1  ILE  30          1HD1      ILE  30   0.955  -1.924  -1.240
  241   3HD1  ILE  30          3HD1      ILE  30   2.629  -2.489  -1.035
  242    H    LYS  31           H        LYS  31   0.117  -3.482  -6.341
  243    HA   LYS  31           HA       LYS  31  -2.614  -3.139  -6.896
  244   1HB   LYS  31          2HB       LYS  31  -0.693  -1.816  -7.796
  245   2HB   LYS  31          1HB       LYS  31  -0.280  -3.169  -8.858
  246   1HG   LYS  31          2HG       LYS  31  -2.399  -2.947 -10.053
  247   2HG   LYS  31          1HG       LYS  31  -2.955  -1.707  -8.917
  248   1HD   LYS  31          2HD       LYS  31  -0.587  -1.452 -10.827
  249   2HD   LYS  31          1HD       LYS  31  -2.181  -0.710 -11.047
  250   1HE   LYS  31          2HE       LYS  31  -1.810   0.583  -8.897
  251   2HE   LYS  31          1HE       LYS  31  -0.163  -0.083  -8.835
  252   1HZ   LYS  31          2HZ       LYS  31   0.281   0.891 -10.975
  253   2HZ   LYS  31          1HZ       LYS  31  -1.290   1.537 -11.039
  254   3HZ   LYS  31          3HZ       LYS  31  -0.197   2.077  -9.857
  255    H    ARG  32           H        ARG  32  -0.345  -5.593  -8.063
  256    HA   ARG  32           HA       ARG  32  -2.113  -6.955  -9.846
  257   1HB   ARG  32          2HB       ARG  32   0.361  -7.183  -9.878
  258   2HB   ARG  32          1HB       ARG  32   0.307  -8.014  -8.318
  259   1HG   ARG  32          2HG       ARG  32  -1.019  -9.849  -9.328
  260   2HG   ARG  32          1HG       ARG  32  -0.978  -9.016 -10.894
  261   1HD   ARG  32          2HD       ARG  32   1.498  -9.219 -10.940
  262   2HD   ARG  32          1HD       ARG  32   1.460 -10.037  -9.359
  263    HE   ARG  32           HE       ARG  32  -0.255 -11.426 -11.151
  264   1HH1  ARG  32          2HH2      ARG  32   3.157 -10.765 -10.626
  265   2HH1  ARG  32          1HH2      ARG  32   3.676 -12.248 -11.354
  266   1HH2  ARG  32          2HH1      ARG  32   0.449 -13.368 -12.099
  267   2HH2  ARG  32          1HH1      ARG  32   2.143 -13.723 -12.186
  268    H    GLU  33           H        GLU  33  -1.369  -7.383  -6.409
  269    HA   GLU  33           HA       GLU  33  -2.469  -9.946  -6.038
  270   1HB   GLU  33          2HB       GLU  33  -2.127  -7.664  -4.052
  271   2HB   GLU  33          1HB       GLU  33  -2.586  -9.315  -3.621
  272   1HG   GLU  33          2HG       GLU  33   0.010  -8.644  -5.058
  273   2HG   GLU  33          1HG       GLU  33  -0.122  -8.760  -3.300
  274    H    CYS  34           H        CYS  34  -4.022  -6.845  -5.092
  275    HA   CYS  34           HA       CYS  34  -6.629  -8.186  -4.999
  276   1HB   CYS  34          2HB       CYS  34  -6.266  -6.422  -3.354
  277   2HB   CYS  34          1HB       CYS  34  -5.984  -5.231  -4.650
  278    H    GLY  35           H        GLY  35  -5.155  -5.561  -6.878
  279   1HA   GLY  35          2HA       GLY  35  -7.356  -4.769  -8.392
  280   2HA   GLY  35          1HA       GLY  35  -5.679  -4.580  -8.916
  281    H    LYS  36           H        LYS  36  -4.765  -6.985  -9.421
  282    HA   LYS  36           HA       LYS  36  -6.411  -8.044 -11.619
  283   1HB   LYS  36          2HB       LYS  36  -3.915  -7.586 -11.784
  284   2HB   LYS  36          1HB       LYS  36  -3.653  -8.962 -10.704
  285   1HG   LYS  36          2HG       LYS  36  -4.807 -10.455 -12.337
  286   2HG   LYS  36          1HG       LYS  36  -5.007  -9.075 -13.427
  287   1HD   LYS  36          2HD       LYS  36  -2.359 -10.264 -12.491
  288   2HD   LYS  36          1HD       LYS  36  -3.085 -10.473 -14.091
  289   1HE   LYS  36          2HE       LYS  36  -2.087  -7.835 -12.911
  290   2HE   LYS  36          1HE       LYS  36  -1.287  -8.793 -14.175
  291   1HZ   LYS  36          2HZ       LYS  36  -3.216  -8.490 -15.573
  292   2HZ   LYS  36          1HZ       LYS  36  -3.979  -7.572 -14.365
  293   3HZ   LYS  36          3HZ       LYS  36  -2.566  -6.991 -15.107
  294    H    LEU  37           H        LEU  37  -7.875  -8.490  -9.601
  295    HA   LEU  37           HA       LEU  37  -8.144 -11.319  -9.336
  296   1HB   LEU  37          2HB       LEU  37  -6.268 -10.742  -7.653
  297   2HB   LEU  37          1HB       LEU  37  -7.496  -9.905  -6.711
  298    HG   LEU  37           HG       LEU  37  -7.093 -12.090  -5.806
  299   1HD1  LEU  37          2HD1      LEU  37  -9.398 -11.347  -5.587
  300   2HD1  LEU  37          1HD1      LEU  37  -9.819 -12.094  -7.149
  301   3HD1  LEU  37          3HD1      LEU  37  -9.326 -13.111  -5.784
  302   1HD2  LEU  37          1HD2      LEU  37  -6.204 -13.234  -7.748
  303   2HD2  LEU  37          3HD2      LEU  37  -7.535 -14.183  -7.046
  304   3HD2  LEU  37          2HD2      LEU  37  -7.803 -13.239  -8.529
  305   1H    TRP   1          1H        TRP   1  -6.368  -4.387   8.857
  306   2H    TRP   1          3H        TRP   1  -5.815  -3.140   7.848
  307   3H    TRP   1          2H        TRP   1  -5.210  -3.289   9.429
  308    HA   TRP   1           HA       TRP   1  -6.782  -1.490   9.327
  309   1HB   TRP   1          2HB       TRP   1  -8.708  -3.690   8.438
  310   2HB   TRP   1          1HB       TRP   1  -9.154  -2.018   8.808
  311    HD1  TRP   1          1HD       TRP   1  -9.989  -2.891   5.988
  312    HE1  TRP   1          1HE       TRP   1  -8.929  -2.107   3.846
  313    HE3  TRP   1          3HE       TRP   1  -5.490  -1.235   7.886
  314    HZ2  TRP   1          2HZ       TRP   1  -6.456  -1.023   3.039
  315    HZ3  TRP   1          3HZ       TRP   1  -3.831  -0.317   6.342
  316    HH2  TRP   1          2HH       TRP   1  -4.307  -0.193   3.917
  317    H    SER   2           H        SER   2  -8.030  -4.721  10.100
  318    HA   SER   2           HA       SER   2  -8.804  -4.162  12.802
  319   1HB   SER   2          2HB       SER   2  -9.647  -6.043  11.292
  320   2HB   SER   2          1HB       SER   2  -8.082  -6.850  11.536
  321    HG   SER   2           HG       SER   2  -9.702  -7.574  13.031
  322    H    THR   3           H        THR   3  -7.768  -5.882  14.505
  323    HA   THR   3           HA       THR   3  -5.220  -4.981  15.256
  324    HB   THR   3           HB       THR   3  -6.603  -7.614  15.937
  325    HG1  THR   3           HG1      THR   3  -7.258  -6.375  17.789
  326   1HG2  THR   3          1HG2      THR   3  -4.378  -6.155  17.441
  327   2HG2  THR   3          3HG2      THR   3  -5.241  -7.603  18.006
  328   3HG2  THR   3          2HG2      THR   3  -4.197  -7.695  16.569
  329    H    ILE   4           H        ILE   4  -6.053  -8.149  13.860
  330    HA   ILE   4           HA       ILE   4  -3.333  -8.913  13.321
  331    HB   ILE   4           HB       ILE   4  -6.009 -10.020  12.432
  332   1HG1  ILE   4          2HG1      ILE   4  -5.380 -11.974  13.861
  333   2HG1  ILE   4          1HG1      ILE   4  -3.959 -11.080  14.404
  334   1HG2  ILE   4          1HG2      ILE   4  -3.273 -11.204  11.825
  335   2HG2  ILE   4          3HG2      ILE   4  -4.829 -12.031  11.584
  336   3HG2  ILE   4          2HG2      ILE   4  -4.445 -10.576  10.643
  337   1HD1  ILE   4          1HD1      ILE   4  -6.853 -10.222  14.860
  338   2HD1  ILE   4          3HD1      ILE   4  -5.792 -10.997  16.059
  339   3HD1  ILE   4          2HD1      ILE   4  -5.406  -9.375  15.461
  340    H    VAL   5           H        VAL   5  -6.009  -7.828  11.265
  341    HA   VAL   5           HA       VAL   5  -4.816  -8.128   8.753
  342    HB   VAL   5           HB       VAL   5  -6.862  -6.062   9.622
  343   1HG1  VAL   5          2HG1      VAL   5  -5.936  -5.476   7.412
  344   2HG1  VAL   5          1HG1      VAL   5  -6.259  -7.120   6.829
  345   3HG1  VAL   5          3HG1      VAL   5  -7.611  -6.049   7.259
  346   1HG2  VAL   5          1HG2      VAL   5  -7.605  -8.341  10.172
  347   2HG2  VAL   5          3HG2      VAL   5  -8.557  -7.684   8.822
  348   3HG2  VAL   5          2HG2      VAL   5  -7.267  -8.868   8.510
  349    H    LYS   6           H        LYS   6  -4.788  -5.283  10.869
  350    HA   LYS   6           HA       LYS   6  -3.466  -3.467   9.160
  351   1HB   LYS   6          2HB       LYS   6  -4.576  -2.817  11.274
  352   2HB   LYS   6          1HB       LYS   6  -3.303  -3.638  12.197
  353   1HG   LYS   6          2HG       LYS   6  -1.622  -2.074  11.267
  354   2HG   LYS   6          1HG       LYS   6  -2.879  -1.280  10.306
  355   1HD   LYS   6          2HD       LYS   6  -4.037  -0.596  12.400
  356   2HD   LYS   6          1HD       LYS   6  -2.769  -1.389  13.357
  357   1HE   LYS   6          2HE       LYS   6  -1.074   0.153  12.381
  358   2HE   LYS   6          1HE       LYS   6  -2.355   0.953  11.437
  359   1HZ   LYS   6          1HZ       LYS   6  -2.230   0.775  14.390
  360   2HZ   LYS   6          3HZ       LYS   6  -1.859   2.144  13.454
  361   3HZ   LYS   6          2HZ       LYS   6  -3.448   1.541  13.486
  362    H    LEU   7           H        LEU   7  -2.102  -5.666  11.595
  363    HA   LEU   7           HA       LEU   7   0.630  -5.097  11.260
  364   1HB   LEU   7          2HB       LEU   7  -0.713  -7.750  11.938
  365   2HB   LEU   7          1HB       LEU   7   1.010  -7.413  12.134
  366    HG   LEU   7           HG       LEU   7  -1.209  -5.872  13.528
  367   1HD1  LEU   7          1HD1      LEU   7   0.566  -8.097  14.619
  368   2HD1  LEU   7          3HD1      LEU   7  -0.556  -7.104  15.582
  369   3HD1  LEU   7          2HD1      LEU   7  -1.186  -8.192  14.324
  370   1HD2  LEU   7          2HD2      LEU   7   1.801  -5.848  13.981
  371   2HD2  LEU   7          1HD2      LEU   7   0.827  -4.534  13.281
  372   3HD2  LEU   7          3HD2      LEU   7   0.597  -5.001  14.979
  373    H    THR   8           H        THR   8  -1.482  -7.194   9.398
  374    HA   THR   8           HA       THR   8   0.522  -8.526   7.854
  375    HB   THR   8           HB       THR   8  -2.422  -8.020   7.234
  376    HG1  THR   8           HG1      THR   8  -2.029  -9.137   9.210
  377   1HG2  THR   8          1HG2      THR   8  -0.546 -10.147   6.121
  378   2HG2  THR   8          3HG2      THR   8  -2.297 -10.038   5.821
  379   3HG2  THR   8          2HG2      THR   8  -1.212  -8.768   5.214
  380    H    ILE   9           H        ILE   9  -1.596  -5.766   7.103
  381    HA   ILE   9           HA       ILE   9  -0.588  -5.501   4.416
  382    HB   ILE   9           HB       ILE   9  -2.914  -5.045   4.950
  383   1HG1  ILE   9          2HG1      ILE   9  -3.210  -2.897   3.758
  384   2HG1  ILE   9          1HG1      ILE   9  -1.487  -2.558   3.962
  385   1HG2  ILE   9          2HG2      ILE   9  -2.712  -4.086   7.202
  386   2HG2  ILE   9          1HG2      ILE   9  -1.965  -2.622   6.531
  387   3HG2  ILE   9          3HG2      ILE   9  -3.650  -3.025   6.134
  388   1HD1  ILE   9          1HD1      ILE   9  -2.646  -4.908   2.392
  389   2HD1  ILE   9          3HD1      ILE   9  -1.977  -3.415   1.691
  390   3HD1  ILE   9          2HD1      ILE   9  -0.916  -4.535   2.576
  391    H    CYS  10           H        CYS  10  -0.192  -3.617   7.368
  392    HA   CYS  10           HA       CYS  10   0.969  -1.306   6.518
  393   1HB   CYS  10          2HB       CYS  10   1.278  -2.909   9.031
  394   2HB   CYS  10          1HB       CYS  10   2.354  -1.526   8.777
  395    HA   PRO  11           HA       PRO  11   5.532  -2.967   6.654
  396   1HB   PRO  11          2HB       PRO  11   5.860  -5.651   6.023
  397   2HB   PRO  11          1HB       PRO  11   5.775  -5.017   7.698
  398   1HG   PRO  11          1HG       PRO  11   3.532  -6.174   5.988
  399   2HG   PRO  11          2HG       PRO  11   3.987  -6.594   7.673
  400   1HD   PRO  11          1HD       PRO  11   1.976  -4.884   7.249
  401   2HD   PRO  11          2HD       PRO  11   3.177  -4.506   8.527
  402    H    THR  12           H        THR  12   3.302  -4.706   4.523
  403    HA   THR  12           HA       THR  12   4.812  -4.667   2.128
  404    HB   THR  12           HB       THR  12   1.772  -4.535   2.418
  405    HG1  THR  12           HG1      THR  12   1.973  -6.846   2.373
  406   1HG2  THR  12          2HG2      THR  12   2.554  -4.192   0.090
  407   2HG2  THR  12          1HG2      THR  12   3.510  -5.690   0.186
  408   3HG2  THR  12          3HG2      THR  12   1.733  -5.757   0.274
  409    H    LEU  13           H        LEU  13   2.391  -2.401   3.384
  410    HA   LEU  13           HA       LEU  13   2.441  -0.517   1.261
  411   1HB   LEU  13          2HB       LEU  13   1.756  -0.106   4.201
  412   2HB   LEU  13          1HB       LEU  13   1.431   1.050   2.905
  413    HG   LEU  13           HG       LEU  13   0.245  -1.729   3.144
  414   1HD1  LEU  13          1HD1      LEU  13  -1.009   1.019   3.544
  415   2HD1  LEU  13          3HD1      LEU  13  -1.895  -0.522   3.550
  416   3HD1  LEU  13          2HD1      LEU  13  -0.682  -0.191   4.807
  417   1HD2  LEU  13          2HD2      LEU  13  -0.310   0.419   1.059
  418   2HD2  LEU  13          1HD2      LEU  13   0.503  -1.140   0.778
  419   3HD2  LEU  13          3HD2      LEU  13  -1.208  -1.106   1.244
  420    H    LYS  14           H        LYS  14   4.394  -0.780   4.182
  421    HA   LYS  14           HA       LYS  14   5.724   1.725   4.072
  422   1HB   LYS  14          2HB       LYS  14   6.479  -0.984   5.219
  423   2HB   LYS  14          1HB       LYS  14   7.587   0.384   5.307
  424   1HG   LYS  14          2HG       LYS  14   4.741   0.388   6.413
  425   2HG   LYS  14          1HG       LYS  14   6.185   0.041   7.374
  426   1HD   LYS  14          2HD       LYS  14   5.568   2.670   5.943
  427   2HD   LYS  14          1HD       LYS  14   5.437   2.372   7.683
  428   1HE   LYS  14          2HE       LYS  14   7.895   1.951   7.799
  429   2HE   LYS  14          1HE       LYS  14   8.024   2.281   6.055
  430   1HZ   LYS  14          2HZ       LYS  14   7.142   4.481   6.451
  431   2HZ   LYS  14          1HZ       LYS  14   7.051   4.164   8.117
  432   3HZ   LYS  14          3HZ       LYS  14   8.562   4.215   7.345
  433    H    SER  15           H        SER  15   6.619  -1.440   2.768
  434    HA   SER  15           HA       SER  15   9.028  -0.745   1.477
  435   1HB   SER  15          2HB       SER  15   6.962  -2.855   0.690
  436   2HB   SER  15          1HB       SER  15   8.649  -2.787   0.119
  437    HG   SER  15           HG       SER  15   7.821  -3.034   2.843
  438    H    MET  16           H        MET  16   5.685  -0.591   0.364
  439    HA   MET  16           HA       MET  16   6.116   0.240  -2.321
  440   1HB   MET  16          2HB       MET  16   3.957  -0.615  -1.436
  441   2HB   MET  16          1HB       MET  16   3.785   0.835  -0.448
  442   1HG   MET  16          2HG       MET  16   3.723   2.226  -2.501
  443   2HG   MET  16          1HG       MET  16   3.860   0.766  -3.491
  444   1HE   MET  16          1HE       MET  16   1.626   2.903  -1.061
  445   2HE   MET  16          3HE       MET  16   0.204   1.859  -0.829
  446   3HE   MET  16          2HE       MET  16   1.773   1.387  -0.140
  447    H    ALA  17           H        ALA  17   5.687   2.040   0.667
  448    HA   ALA  17           HA       ALA  17   5.418   4.664  -0.288
  449   1HB   ALA  17          2HB       ALA  17   4.944   4.023   2.036
  450   2HB   ALA  17          1HB       ALA  17   6.669   3.692   2.321
  451   3HB   ALA  17          3HB       ALA  17   6.127   5.349   1.992
  452    H    LYS  18           H        LYS  18   8.283   2.735   0.276
  453    HA   LYS  18           HA       LYS  18  10.376   4.518   0.351
  454   1HB   LYS  18          2HB       LYS  18  10.255   1.923  -1.246
  455   2HB   LYS  18          1HB       LYS  18  11.735   2.780  -0.790
  456   1HG   LYS  18          2HG       LYS  18  11.205   2.443   1.608
  457   2HG   LYS  18          1HG       LYS  18   9.708   1.613   1.167
  458   1HD   LYS  18          2HD       LYS  18  11.418  -0.027   1.760
  459   2HD   LYS  18          1HD       LYS  18  11.003  -0.172   0.047
  460   1HE   LYS  18          2HE       LYS  18  13.441  -0.381   0.392
  461   2HE   LYS  18          1HE       LYS  18  13.068   1.063  -0.572
  462   1HZ   LYS  18          2HZ       LYS  18  13.225   2.384   1.432
  463   2HZ   LYS  18          1HZ       LYS  18  13.591   1.000   2.345
  464   3HZ   LYS  18          3HZ       LYS  18  14.671   1.537   1.148
  465    H    LYS  19           H        LYS  19   8.652   3.437  -2.554
  466    HA   LYS  19           HA       LYS  19   9.929   5.643  -4.107
  467   1HB   LYS  19          2HB       LYS  19  10.921   3.394  -4.598
  468   2HB   LYS  19          1HB       LYS  19   9.324   2.821  -5.088
  469   1HG   LYS  19          2HG       LYS  19   9.293   4.417  -6.971
  470   2HG   LYS  19          1HG       LYS  19  10.836   5.100  -6.434
  471   1HD   LYS  19          2HD       LYS  19  11.990   3.012  -6.908
  472   2HD   LYS  19          1HD       LYS  19  10.463   2.186  -7.247
  473   1HE   LYS  19          2HE       LYS  19  11.602   4.499  -8.885
  474   2HE   LYS  19          1HE       LYS  19  11.698   2.780  -9.332
  475   1HZ   LYS  19          2HZ       LYS  19   9.298   2.688  -9.328
  476   2HZ   LYS  19          1HZ       LYS  19   9.209   4.331  -8.907
  477   3HZ   LYS  19          3HZ       LYS  19   9.855   3.874 -10.410
  478    H    CYS  20           H        CYS  20   7.547   6.051  -2.835
  479    HA   CYS  20           HA       CYS  20   5.512   5.930  -4.971
  480   1HB   CYS  20          2HB       CYS  20   5.343   6.912  -2.108
  481   2HB   CYS  20          1HB       CYS  20   4.032   7.096  -3.285
  482    H    GLU  21           H        GLU  21   4.207   7.894  -5.328
  483    HA   GLU  21           HA       GLU  21   6.074  10.010  -6.214
  484   1HB   GLU  21          2HB       GLU  21   3.163   9.680  -7.017
  485   2HB   GLU  21          1HB       GLU  21   4.439  10.556  -7.868
  486   1HG   GLU  21          2HG       GLU  21   4.047   7.547  -7.657
  487   2HG   GLU  21          1HG       GLU  21   4.072   8.549  -9.115
  488    H    GLY  22           H        GLY  22   5.401  12.201  -6.191
  489   1HA   GLY  22          2HA       GLY  22   4.758  14.177  -5.197
  490   2HA   GLY  22          1HA       GLY  22   3.272  13.340  -4.727
  491    H    SER  23           H        SER  23   3.058  12.534  -2.708
  492    HA   SER  23           HA       SER  23   5.218  12.229  -0.807
  493   1HB   SER  23          2HB       SER  23   4.809  14.739  -0.773
  494   2HB   SER  23          1HB       SER  23   3.147  14.412  -0.239
  495    HG   SER  23           HG       SER  23   4.066  13.324   1.604
  496    H    ILE  24           H        ILE  24   3.321  10.592  -1.966
  497    HA   ILE  24           HA       ILE  24   1.116   9.987  -0.220
  498    HB   ILE  24           HB       ILE  24   2.544   8.417  -2.387
  499   1HG1  ILE  24          2HG1      ILE  24   1.435  10.367  -3.272
  500   2HG1  ILE  24          1HG1      ILE  24   0.559   8.910  -3.755
  501   1HG2  ILE  24          1HG2      ILE  24  -0.036   7.644  -0.977
  502   2HG2  ILE  24          3HG2      ILE  24   0.614   6.873  -2.443
  503   3HG2  ILE  24          2HG2      ILE  24   1.513   6.775  -0.915
  504   1HD1  ILE  24          2HD1      ILE  24  -1.146   9.342  -2.004
  505   2HD1  ILE  24          1HD1      ILE  24  -0.271  10.812  -1.514
  506   3HD1  ILE  24          3HD1      ILE  24  -1.005  10.708  -3.127
  507    H    ALA  25           H        ALA  25   4.397   8.796  -0.593
  508    HA   ALA  25           HA       ALA  25   4.606   6.652   1.102
  509   1HB   ALA  25          2HB       ALA  25   6.477   7.641  -0.195
  510   2HB   ALA  25          1HB       ALA  25   6.516   9.033   0.904
  511   3HB   ALA  25          3HB       ALA  25   6.943   7.416   1.509
  512    H    THR  26           H        THR  26   4.668  10.065   2.024
  513    HA   THR  26           HA       THR  26   5.070   9.845   4.804
  514    HB   THR  26           HB       THR  26   3.467  11.929   3.249
  515    HG1  THR  26           HG1      THR  26   5.500  13.030   3.260
  516   1HG2  THR  26          1HG2      THR  26   4.815  12.155   5.979
  517   2HG2  THR  26          3HG2      THR  26   4.035  13.483   5.087
  518   3HG2  THR  26          2HG2      THR  26   3.060  12.124   5.687
  519    H    MET  27           H        MET  27   2.033  10.148   2.982
  520    HA   MET  27           HA       MET  27   0.201  10.090   5.107
  521   1HB   MET  27          2HB       MET  27  -0.151   9.014   2.273
  522   2HB   MET  27          1HB       MET  27  -1.463   9.352   3.406
  523   1HG   MET  27          2HG       MET  27   0.483  11.384   2.231
  524   2HG   MET  27          1HG       MET  27  -1.218  11.188   1.795
  525   1HE   MET  27          2HE       MET  27  -3.261  11.717   3.450
  526   2HE   MET  27          1HE       MET  27  -2.559  10.656   4.696
  527   3HE   MET  27          3HE       MET  27  -3.052  12.311   5.114
  528    H    ILE  28           H        ILE  28   1.257   7.398   3.063
  529    HA   ILE  28           HA       ILE  28  -0.070   5.228   4.101
  530    HB   ILE  28           HB       ILE  28   2.783   5.518   3.115
  531   1HG1  ILE  28          2HG1      ILE  28   1.064   6.046   1.452
  532   2HG1  ILE  28          1HG1      ILE  28   2.012   4.624   1.006
  533   1HG2  ILE  28          1HG2      ILE  28   1.338   2.906   3.645
  534   2HG2  ILE  28          3HG2      ILE  28   2.855   3.071   2.725
  535   3HG2  ILE  28          2HG2      ILE  28   2.810   3.499   4.448
  536   1HD1  ILE  28          2HD1      ILE  28   0.147   3.153   1.769
  537   2HD1  ILE  28          1HD1      ILE  28  -0.798   4.599   2.205
  538   3HD1  ILE  28          3HD1      ILE  28  -0.375   4.288   0.505
  539    H    LYS  29           H        LYS  29   2.965   6.592   5.295
  540    HA   LYS  29           HA       LYS  29   3.584   4.739   7.307
  541   1HB   LYS  29          2HB       LYS  29   4.964   6.714   6.363
  542   2HB   LYS  29          1HB       LYS  29   4.103   7.731   7.518
  543   1HG   LYS  29          2HG       LYS  29   5.820   5.328   8.239
  544   2HG   LYS  29          1HG       LYS  29   6.351   7.011   8.314
  545   1HD   LYS  29          2HD       LYS  29   4.542   7.422  10.040
  546   2HD   LYS  29          1HD       LYS  29   4.205   5.676  10.007
  547   1HE   LYS  29          2HE       LYS  29   6.502   5.177  10.747
  548   2HE   LYS  29          1HE       LYS  29   6.869   6.919  10.799
  549   1HZ   LYS  29          1HZ       LYS  29   4.762   5.542  12.366
  550   2HZ   LYS  29          3HZ       LYS  29   6.262   6.064  12.964
  551   3HZ   LYS  29          2HZ       LYS  29   5.123   7.198  12.419
  552    H    LYS  30           H        LYS  30   1.757   7.781   7.549
  553    HA   LYS  30           HA       LYS  30   1.446   8.010  10.278
  554   1HB   LYS  30          2HB       LYS  30  -0.555   8.812   8.144
  555   2HB   LYS  30          1HB       LYS  30  -0.577   9.353   9.825
  556   1HG   LYS  30          2HG       LYS  30   1.771  10.282   9.452
  557   2HG   LYS  30          1HG       LYS  30   1.594   9.876   7.743
  558   1HD   LYS  30          2HD       LYS  30   1.030  12.127   7.753
  559   2HD   LYS  30          1HD       LYS  30  -0.557  11.356   7.836
  560   1HE   LYS  30          2HE       LYS  30   0.978  12.515  10.207
  561   2HE   LYS  30          1HE       LYS  30  -0.396  13.282   9.387
  562   1HZ   LYS  30          2HZ       LYS  30  -1.758  11.400  10.015
  563   2HZ   LYS  30          1HZ       LYS  30  -0.439  10.690  10.818
  564   3HZ   LYS  30          3HZ       LYS  30  -1.085  12.158  11.379
  565    H    LYS  31           H        LYS  31  -0.726   6.222   8.102
  566    HA   LYS  31           HA       LYS  31  -2.791   5.633   9.929
  567   1HB   LYS  31          2HB       LYS  31  -1.787   4.040   7.539
  568   2HB   LYS  31          1HB       LYS  31  -3.231   3.609   8.458
  569   1HG   LYS  31          2HG       LYS  31  -3.974   4.780   6.520
  570   2HG   LYS  31          1HG       LYS  31  -4.193   5.875   7.890
  571   1HD   LYS  31          2HD       LYS  31  -2.166   7.117   7.263
  572   2HD   LYS  31          1HD       LYS  31  -1.849   5.971   5.947
  573   1HE   LYS  31          2HE       LYS  31  -2.831   8.022   5.040
  574   2HE   LYS  31          1HE       LYS  31  -3.996   6.691   4.868
  575   1HZ   LYS  31          1HZ       LYS  31  -3.978   8.707   7.037
  576   2HZ   LYS  31          3HZ       LYS  31  -5.038   8.680   5.710
  577   3HZ   LYS  31          2HZ       LYS  31  -5.090   7.436   6.864
  578    H    CYS  32           H        CYS  32  -0.002   3.645   9.029
  579    HA   CYS  32           HA       CYS  32  -0.414   1.509  10.838
  580   1HB   CYS  32          2HB       CYS  32   2.108   2.556   9.495
  581   2HB   CYS  32          1HB       CYS  32   2.008   1.015  10.376
  582    H    ASP  33           H        ASP  33   1.741   4.316  11.074
  583    HA   ASP  33           HA       ASP  33   1.309   4.621  13.923
  584   1HB   ASP  33          2HB       ASP  33   3.016   2.773  13.856
  585   2HB   ASP  33          1HB       ASP  33   4.094   3.826  12.925
  586    H    LYS  34           H        LYS  34   2.747   6.393  14.775
  587    HA   LYS  34           HA       LYS  34   3.905   8.309  12.965
  588   1HB   LYS  34          2HB       LYS  34   2.281  10.099  13.193
  589   2HB   LYS  34          1HB       LYS  34   1.537   8.699  12.440
  590   1HG   LYS  34          2HG       LYS  34   1.164   9.557  15.335
  591   2HG   LYS  34          1HG       LYS  34   0.028   9.840  14.018
  592   1HD   LYS  34          2HD       LYS  34  -0.986   7.980  14.811
  593   2HD   LYS  34          1HD       LYS  34   0.229   7.129  13.854
  594   1HE   LYS  34          2HE       LYS  34   1.682   7.064  15.991
  595   2HE   LYS  34          1HE       LYS  34   0.265   7.684  16.851
  596   1HZ   LYS  34          1HZ       LYS  34   0.344   5.207  15.234
  597   2HZ   LYS  34          3HZ       LYS  34   0.398   5.287  16.929
  598   3HZ   LYS  34          2HZ       LYS  34  -0.993   5.800  16.099
   
  No H/Q in entry =         598
  Start of MODEL          17
 Raw file had  604 H/Q atoms
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1   0.166 -18.018   1.305
    2   2H    GLY   1          3H        GLY   1   0.852 -18.907   0.029
    3   3H    GLY   1          2H        GLY   1   1.719 -18.680   1.471
    4   1HA   GLY   1          2HA       GLY   1   2.554 -17.256  -0.267
    5   2HA   GLY   1          1HA       GLY   1   0.930 -16.565  -0.441
    6    H    VAL   2           H        VAL   2   2.599 -14.733  -0.059
    7    HA   VAL   2           HA       VAL   2   3.522 -14.088   2.539
    8    HB   VAL   2           HB       VAL   2   4.351 -13.048   0.487
    9   1HG1  VAL   2          2HG1      VAL   2   2.302 -12.765  -0.815
   10   2HG1  VAL   2          1HG1      VAL   2   1.721 -11.525   0.322
   11   3HG1  VAL   2          3HG1      VAL   2   3.168 -11.221  -0.659
   12   1HG2  VAL   2          1HG2      VAL   2   4.803 -11.930   2.587
   13   2HG2  VAL   2          3HG2      VAL   2   4.550 -10.724   1.308
   14   3HG2  VAL   2          2HG2      VAL   2   3.265 -11.043   2.494
   15    H    ILE   3           H        ILE   3   0.560 -13.207   0.845
   16    HA   ILE   3           HA       ILE   3  -0.838 -12.713   3.406
   17    HB   ILE   3           HB       ILE   3  -0.628 -10.815   1.044
   18   1HG1  ILE   3          2HG1      ILE   3   0.101 -10.467   3.965
   19   2HG1  ILE   3          1HG1      ILE   3   1.207 -10.594   2.594
   20   1HG2  ILE   3          2HG2      ILE   3  -2.993 -10.870   1.697
   21   2HG2  ILE   3          1HG2      ILE   3  -2.541 -10.542   3.389
   22   3HG2  ILE   3          3HG2      ILE   3  -2.263  -9.319   2.133
   23   1HD1  ILE   3          2HD1      ILE   3   0.381  -8.442   1.692
   24   2HD1  ILE   3          1HD1      ILE   3  -0.732  -8.290   3.075
   25   3HD1  ILE   3          3HD1      ILE   3   1.024  -8.264   3.341
   26    HA   PRO   4           HA       PRO   4  -3.798 -15.155   1.112
   27   1HB   PRO   4          2HB       PRO   4  -5.957 -15.003   2.759
   28   2HB   PRO   4          1HB       PRO   4  -4.445 -15.809   3.293
   29   1HG   PRO   4          1HG       PRO   4  -5.329 -12.928   3.785
   30   2HG   PRO   4          2HG       PRO   4  -4.824 -14.155   4.999
   31   1HD   PRO   4          1HD       PRO   4  -3.041 -12.348   4.028
   32   2HD   PRO   4          2HD       PRO   4  -2.546 -14.044   4.333
   33    H    LYS   5           H        LYS   5  -6.005 -15.080   0.239
   34    HA   LYS   5           HA       LYS   5  -6.500 -12.882  -1.436
   35   1HB   LYS   5          2HB       LYS   5  -7.339 -15.166  -1.869
   36   2HB   LYS   5          1HB       LYS   5  -8.433 -15.039  -0.481
   37   1HG   LYS   5          2HG       LYS   5  -9.627 -13.162  -1.599
   38   2HG   LYS   5          1HG       LYS   5  -8.524 -13.281  -2.973
   39   1HD   LYS   5          2HD       LYS   5 -10.628 -14.372  -3.525
   40   2HD   LYS   5          1HD       LYS   5  -9.353 -15.596  -3.411
   41   1HE   LYS   5          2HE       LYS   5 -10.147 -16.231  -1.148
   42   2HE   LYS   5          1HE       LYS   5 -11.404 -14.973  -1.229
   43   1HZ   LYS   5          2HZ       LYS   5 -12.318 -16.070  -3.157
   44   2HZ   LYS   5          1HZ       LYS   5 -11.117 -17.269  -3.079
   45   3HZ   LYS   5          3HZ       LYS   5 -12.262 -17.131  -1.832
   46    H    LYS   6           H        LYS   6  -8.051 -13.803   1.611
   47    HA   LYS   6           HA       LYS   6 -10.111 -11.930   1.771
   48   1HB   LYS   6          2HB       LYS   6  -9.660 -13.885   3.315
   49   2HB   LYS   6          1HB       LYS   6  -8.395 -12.931   4.088
   50   1HG   LYS   6          2HG       LYS   6 -11.348 -12.184   4.002
   51   2HG   LYS   6          1HG       LYS   6 -10.540 -12.973   5.360
   52   1HD   LYS   6          2HD       LYS   6  -9.055 -10.948   5.588
   53   2HD   LYS   6          1HD       LYS   6 -10.006 -10.160   4.317
   54   1HE   LYS   6          2HE       LYS   6 -12.054 -10.350   5.697
   55   2HE   LYS   6          1HE       LYS   6 -11.088 -11.080   7.004
   56   1HZ   LYS   6          1HZ       LYS   6 -10.656  -8.404   5.809
   57   2HZ   LYS   6          3HZ       LYS   6 -11.371  -8.716   7.317
   58   3HZ   LYS   6          2HZ       LYS   6  -9.735  -9.097   7.056
   59    H    ILE   7           H        ILE   7  -6.889 -11.640   3.283
   60    HA   ILE   7           HA       ILE   7  -7.164  -8.996   4.201
   61    HB   ILE   7           HB       ILE   7  -4.685 -10.560   3.447
   62   1HG1  ILE   7          2HG1      ILE   7  -5.969 -11.606   5.239
   63   2HG1  ILE   7          1HG1      ILE   7  -4.426 -10.989   5.836
   64   1HG2  ILE   7          1HG2      ILE   7  -4.835  -7.948   5.006
   65   2HG2  ILE   7          3HG2      ILE   7  -3.387  -8.964   4.847
   66   3HG2  ILE   7          2HG2      ILE   7  -4.086  -8.191   3.413
   67   1HD1  ILE   7          2HD1      ILE   7  -5.597  -9.015   6.810
   68   2HD1  ILE   7          1HD1      ILE   7  -7.149  -9.648   6.208
   69   3HD1  ILE   7          3HD1      ILE   7  -6.242 -10.545   7.446
   70    H    TRP   8           H        TRP   8  -5.767 -10.162   1.141
   71    HA   TRP   8           HA       TRP   8  -4.834  -7.735   0.117
   72   1HB   TRP   8          2HB       TRP   8  -5.872 -10.258  -1.207
   73   2HB   TRP   8          1HB       TRP   8  -5.438  -8.853  -2.197
   74    HD1  TRP   8          1HD       TRP   8  -3.810 -11.955  -1.367
   75    HE1  TRP   8          1HE       TRP   8  -1.300 -11.797  -1.198
   76    HE3  TRP   8          3HE       TRP   8  -3.396  -6.863  -0.950
   77    HZ2  TRP   8          2HZ       TRP   8   0.630  -9.754  -0.902
   78    HZ3  TRP   8          3HZ       TRP   8  -1.152  -5.859  -0.756
   79    HH2  TRP   8          2HH       TRP   8   0.858  -7.300  -0.733
   80    H    GLU   9           H        GLU   9  -8.008  -9.201  -0.578
   81    HA   GLU   9           HA       GLU   9  -8.960  -6.989  -2.094
   82   1HB   GLU   9          2HB       GLU   9 -10.586  -9.148  -0.709
   83   2HB   GLU   9          1HB       GLU   9 -11.149  -8.078  -2.004
   84   1HG   GLU   9          2HG       GLU   9  -9.047 -10.282  -2.193
   85   2HG   GLU   9          1HG       GLU   9 -10.608 -10.198  -3.022
   86    H    THR  10           H        THR  10  -9.176  -7.734   1.320
   87    HA   THR  10           HA       THR  10 -11.066  -5.778   2.119
   88    HB   THR  10           HB       THR  10  -8.724  -7.055   3.582
   89    HG1  THR  10           HG1      THR  10 -10.551  -8.357   2.928
   90   1HG2  THR  10          1HG2      THR  10 -10.957  -5.368   4.804
   91   2HG2  THR  10          3HG2      THR  10  -9.751  -6.320   5.705
   92   3HG2  THR  10          2HG2      THR  10  -9.235  -4.920   4.738
   93    H    VAL  11           H        VAL  11  -7.518  -5.606   1.936
   94    HA   VAL  11           HA       VAL  11  -7.399  -2.838   2.725
   95    HB   VAL  11           HB       VAL  11  -5.040  -2.914   2.224
   96   1HG1  VAL  11          1HG1      VAL  11  -6.004  -5.377   3.724
   97   2HG1  VAL  11          3HG1      VAL  11  -4.369  -4.690   3.823
   98   3HG1  VAL  11          2HG1      VAL  11  -5.767  -3.749   4.389
   99   1HG2  VAL  11          1HG2      VAL  11  -4.976  -4.266   0.190
  100   2HG2  VAL  11          3HG2      VAL  11  -3.882  -4.919   1.427
  101   3HG2  VAL  11          2HG2      VAL  11  -5.436  -5.710   1.125
  102    H    CYS  12           H        CYS  12  -7.774  -4.436  -0.317
  103    HA   CYS  12           HA       CYS  12  -6.580  -2.883  -2.201
  104   1HB   CYS  12          2HB       CYS  12  -9.254  -4.279  -2.284
  105   2HB   CYS  12          1HB       CYS  12  -8.621  -3.407  -3.687
  106    HA   PRO  13           HA       PRO  13 -10.212   0.326  -2.589
  107   1HB   PRO  13          2HB       PRO  13 -11.696   0.752  -0.280
  108   2HB   PRO  13          1HB       PRO  13 -12.193  -0.350  -1.604
  109   1HG   PRO  13          1HG       PRO  13 -10.704  -1.027   0.973
  110   2HG   PRO  13          2HG       PRO  13 -12.158  -1.818   0.273
  111   1HD   PRO  13          1HD       PRO  13  -9.752  -2.909  -0.144
  112   2HD   PRO  13          2HD       PRO  13 -10.902  -2.795  -1.518
  113    H    THR  14           H        THR  14  -8.885  -0.075   0.677
  114    HA   THR  14           HA       THR  14  -8.479   2.659   1.319
  115    HB   THR  14           HB       THR  14  -6.870   0.250   2.291
  116    HG1  THR  14           HG1      THR  14  -8.479   0.225   3.954
  117   1HG2  THR  14          1HG2      THR  14  -7.436   2.941   3.621
  118   2HG2  THR  14          3HG2      THR  14  -6.570   1.576   4.361
  119   3HG2  THR  14          2HG2      THR  14  -5.869   2.417   2.962
  120    H    VAL  15           H        VAL  15  -6.195   0.235   0.081
  121    HA   VAL  15           HA       VAL  15  -4.027   2.061  -0.310
  122    HB   VAL  15           HB       VAL  15  -2.880   0.242  -1.410
  123   1HG1  VAL  15          2HG1      VAL  15  -2.868   0.244   1.022
  124   2HG1  VAL  15          1HG1      VAL  15  -4.379  -0.696   1.062
  125   3HG1  VAL  15          3HG1      VAL  15  -2.894  -1.427   0.414
  126   1HG2  VAL  15          1HG2      VAL  15  -4.660  -0.737  -2.765
  127   2HG2  VAL  15          3HG2      VAL  15  -3.904  -1.982  -1.749
  128   3HG2  VAL  15          2HG2      VAL  15  -5.487  -1.311  -1.298
  129    H    GLU  16           H        GLU  16  -6.788   1.427  -2.154
  130    HA   GLU  16           HA       GLU  16  -6.048   1.275  -4.789
  131   1HB   GLU  16          2HB       GLU  16  -8.358   1.066  -4.001
  132   2HB   GLU  16          1HB       GLU  16  -8.422   2.793  -3.645
  133   1HG   GLU  16          2HG       GLU  16  -8.141   3.308  -6.058
  134   2HG   GLU  16          1HG       GLU  16  -8.050   1.571  -6.415
  135    HA   PRO  17           HA       PRO  17  -6.128   6.082  -5.490
  136   1HB   PRO  17          2HB       PRO  17  -5.545   7.667  -3.284
  137   2HB   PRO  17          1HB       PRO  17  -7.208   7.276  -3.824
  138   1HG   PRO  17          1HG       PRO  17  -5.525   5.878  -1.696
  139   2HG   PRO  17          2HG       PRO  17  -7.217   6.469  -1.582
  140   1HD   PRO  17          1HD       PRO  17  -6.768   3.882  -2.112
  141   2HD   PRO  17          2HD       PRO  17  -8.035   4.757  -3.038
  142    H    TRP  18           H        TRP  18  -4.053   5.148  -2.762
  143    HA   TRP  18           HA       TRP  18  -1.751   6.612  -3.509
  144   1HB   TRP  18          2HB       TRP  18  -1.791   4.045  -1.875
  145   2HB   TRP  18          1HB       TRP  18  -0.529   5.295  -1.877
  146    HD1  TRP  18          1HD       TRP  18  -2.245   8.004  -1.531
  147    HE1  TRP  18          1HE       TRP  18  -3.572   8.485   0.558
  148    HE3  TRP  18          3HE       TRP  18  -2.586   3.232   0.229
  149    HZ2  TRP  18          2HZ       TRP  18  -4.698   6.980   2.690
  150    HZ3  TRP  18          3HZ       TRP  18  -3.831   2.795   2.324
  151    HH2  TRP  18          2HH       TRP  18  -4.891   4.667   3.545
  152    H    ALA  19           H        ALA  19  -2.892   3.476  -4.547
  153    HA   ALA  19           HA       ALA  19  -0.540   2.238  -5.430
  154   1HB   ALA  19          2HB       ALA  19  -2.722   1.091  -5.347
  155   2HB   ALA  19          1HB       ALA  19  -3.323   2.106  -6.681
  156   3HB   ALA  19          3HB       ALA  19  -2.004   0.951  -6.967
  157    H    LYS  20           H        LYS  20  -2.812   4.121  -7.439
  158    HA   LYS  20           HA       LYS  20  -1.127   4.422  -9.702
  159   1HB   LYS  20          2HB       LYS  20  -3.507   5.988  -8.679
  160   2HB   LYS  20          1HB       LYS  20  -2.601   6.543 -10.088
  161   1HG   LYS  20          2HG       LYS  20  -4.530   5.251 -10.817
  162   2HG   LYS  20          1HG       LYS  20  -3.040   4.409 -11.247
  163   1HD   LYS  20          2HD       LYS  20  -4.703   2.812 -10.464
  164   2HD   LYS  20          1HD       LYS  20  -3.346   2.859  -9.335
  165   1HE   LYS  20          2HE       LYS  20  -5.457   2.766  -8.094
  166   2HE   LYS  20          1HE       LYS  20  -4.688   4.351  -7.828
  167   1HZ   LYS  20          1HZ       LYS  20  -6.843   3.773  -9.773
  168   2HZ   LYS  20          3HZ       LYS  20  -7.031   4.567  -8.283
  169   3HZ   LYS  20          2HZ       LYS  20  -6.106   5.280  -9.518
  170    H    LYS  21           H        LYS  21  -1.506   6.360  -6.796
  171    HA   LYS  21           HA       LYS  21   0.412   8.414  -7.580
  172   1HB   LYS  21          2HB       LYS  21  -0.790   7.783  -4.848
  173   2HB   LYS  21          1HB       LYS  21  -0.011   9.291  -5.344
  174   1HG   LYS  21          2HG       LYS  21  -1.805   9.884  -6.801
  175   2HG   LYS  21          1HG       LYS  21  -2.539   8.276  -6.692
  176   1HD   LYS  21          2HD       LYS  21  -2.920   8.693  -4.224
  177   2HD   LYS  21          1HD       LYS  21  -2.329  10.347  -4.462
  178   1HE   LYS  21          2HE       LYS  21  -4.178  10.807  -6.036
  179   2HE   LYS  21          1HE       LYS  21  -4.752   9.129  -5.872
  180   1HZ   LYS  21          1HZ       LYS  21  -4.537  11.113  -3.682
  181   2HZ   LYS  21          3HZ       LYS  21  -5.972  10.632  -4.452
  182   3HZ   LYS  21          2HZ       LYS  21  -5.086   9.513  -3.530
  183    H    CYS  22           H        CYS  22   1.557   5.847  -7.770
  184    HA   CYS  22           HA       CYS  22   3.876   6.033  -6.043
  185   1HB   CYS  22          2HB       CYS  22   2.135   4.858  -4.600
  186   2HB   CYS  22          1HB       CYS  22   2.134   3.540  -5.787
  187    H    SER  23           H        SER  23   5.373   4.216  -6.445
  188    HA   SER  23           HA       SER  23   5.129   2.860  -9.055
  189   1HB   SER  23          2HB       SER  23   7.327   4.888  -8.390
  190   2HB   SER  23          1HB       SER  23   7.303   3.843  -9.826
  191    HG   SER  23           HG       SER  23   5.310   5.785  -9.155
  192    H    GLY  24           H        GLY  24   7.365   1.780  -9.495
  193   1HA   GLY  24          2HA       GLY  24   9.217   0.514  -8.776
  194   2HA   GLY  24          1HA       GLY  24   8.761   0.824  -7.098
  195    H    ASP  25           H        ASP  25   9.461  -1.494  -7.213
  196    HA   ASP  25           HA       ASP  25   8.050  -3.527  -8.572
  197   1HB   ASP  25          2HB       ASP  25   9.697  -3.708  -6.003
  198   2HB   ASP  25          1HB       ASP  25   9.257  -5.071  -7.050
  199    H    ILE  26           H        ILE  26   7.894  -2.616  -5.141
  200    HA   ILE  26           HA       ILE  26   5.946  -4.518  -4.361
  201    HB   ILE  26           HB       ILE  26   6.480  -1.812  -3.086
  202   1HG1  ILE  26          2HG1      ILE  26   8.609  -2.986  -3.349
  203   2HG1  ILE  26          1HG1      ILE  26   8.127  -2.927  -1.655
  204   1HG2  ILE  26          2HG2      ILE  26   4.461  -2.892  -2.202
  205   2HG2  ILE  26          1HG2      ILE  26   5.368  -4.386  -1.897
  206   3HG2  ILE  26          3HG2      ILE  26   5.759  -2.908  -0.990
  207   1HD1  ILE  26          1HD1      ILE  26   7.841  -5.347  -3.498
  208   2HD1  ILE  26          3HD1      ILE  26   9.074  -5.132  -2.235
  209   3HD1  ILE  26          2HD1      ILE  26   7.363  -5.294  -1.784
  210    H    ALA  27           H        ALA  27   5.611  -1.144  -5.393
  211    HA   ALA  27           HA       ALA  27   2.856  -0.756  -5.060
  212   1HB   ALA  27          2HB       ALA  27   4.409   1.048  -5.739
  213   2HB   ALA  27          1HB       ALA  27   4.648   0.263  -7.316
  214   3HB   ALA  27          3HB       ALA  27   3.055   0.924  -6.884
  215    H    THR  28           H        THR  28   4.599  -2.074  -7.843
  216    HA   THR  28           HA       THR  28   2.393  -2.618  -9.530
  217    HB   THR  28           HB       THR  28   5.098  -4.019  -9.371
  218    HG1  THR  28           HG1      THR  28   4.190  -1.783 -10.900
  219   1HG2  THR  28          1HG2      THR  28   3.124  -3.866 -11.696
  220   2HG2  THR  28          3HG2      THR  28   4.757  -4.569 -11.758
  221   3HG2  THR  28          2HG2      THR  28   3.503  -5.325 -10.751
  222    H    TYR  29           H        TYR  29   3.970  -4.586  -7.047
  223    HA   TYR  29           HA       TYR  29   2.681  -7.055  -7.609
  224   1HB   TYR  29          2HB       TYR  29   4.721  -6.884  -6.242
  225   2HB   TYR  29          1HB       TYR  29   3.833  -6.016  -4.986
  226    HD1  TYR  29          1HD       TYR  29   1.798  -7.261  -3.896
  227    HD2  TYR  29          2HD       TYR  29   4.892  -9.219  -6.145
  228    HE1  TYR  29          1HE       TYR  29   1.122  -9.428  -2.947
  229    HE2  TYR  29          2HE       TYR  29   4.232 -11.385  -5.154
  230    HH   TYR  29           HH       TYR  29   1.497 -11.626  -2.861
  231    H    ILE  30           H        ILE  30   1.998  -4.707  -5.032
  232    HA   ILE  30           HA       ILE  30  -0.325  -5.847  -3.965
  233    HB   ILE  30           HB       ILE  30   0.516  -2.931  -4.164
  234   1HG1  ILE  30          2HG1      ILE  30   0.835  -4.899  -1.863
  235   2HG1  ILE  30          1HG1      ILE  30   2.116  -4.488  -3.009
  236   1HG2  ILE  30          1HG2      ILE  30  -1.596  -4.173  -2.346
  237   2HG2  ILE  30          3HG2      ILE  30  -0.998  -2.502  -2.237
  238   3HG2  ILE  30          2HG2      ILE  30  -1.892  -3.027  -3.674
  239   1HD1  ILE  30          1HD1      ILE  30   0.738  -2.529  -1.114
  240   2HD1  ILE  30          3HD1      ILE  30   2.370  -3.206  -0.916
  241   3HD1  ILE  30          2HD1      ILE  30   2.022  -2.118  -2.277
  242    H    LYS  31           H        LYS  31   0.011  -3.430  -6.518
  243    HA   LYS  31           HA       LYS  31  -2.633  -2.905  -7.215
  244   1HB   LYS  31          2HB       LYS  31  -0.718  -1.726  -8.149
  245   2HB   LYS  31          1HB       LYS  31  -0.146  -3.177  -8.954
  246   1HG   LYS  31          2HG       LYS  31  -2.774  -1.795  -9.621
  247   2HG   LYS  31          1HG       LYS  31  -1.247  -1.432 -10.428
  248   1HD   LYS  31          2HD       LYS  31  -2.793  -4.063 -10.537
  249   2HD   LYS  31          1HD       LYS  31  -2.552  -2.895 -11.829
  250   1HE   LYS  31          2HE       LYS  31  -0.157  -3.387 -11.931
  251   2HE   LYS  31          1HE       LYS  31  -0.293  -4.492 -10.546
  252   1HZ   LYS  31          1HZ       LYS  31  -1.677  -4.799 -13.142
  253   2HZ   LYS  31          3HZ       LYS  31  -0.318  -5.677 -12.623
  254   3HZ   LYS  31          2HZ       LYS  31  -1.801  -5.849 -11.812
  255    H    ARG  32           H        ARG  32  -0.538  -5.519  -8.383
  256    HA   ARG  32           HA       ARG  32  -2.345  -6.745 -10.173
  257   1HB   ARG  32          2HB       ARG  32   0.115  -7.161 -10.099
  258   2HB   ARG  32          1HB       ARG  32  -0.102  -8.071  -8.596
  259   1HG   ARG  32          2HG       ARG  32  -1.540  -9.703  -9.767
  260   2HG   ARG  32          1HG       ARG  32  -1.368  -8.787 -11.273
  261   1HD   ARG  32          2HD       ARG  32   1.089  -9.228 -11.244
  262   2HD   ARG  32          1HD       ARG  32   0.888 -10.176  -9.749
  263    HE   ARG  32           HE       ARG  32  -0.899 -11.199 -11.691
  264   1HH1  ARG  32          2HH2      ARG  32   2.554 -10.957 -11.093
  265   2HH1  ARG  32          1HH2      ARG  32   2.923 -12.406 -11.967
  266   1HH2  ARG  32          2HH1      ARG  32  -0.394 -13.090 -12.833
  267   2HH2  ARG  32          1HH1      ARG  32   1.252 -13.615 -12.952
  268    H    GLU  33           H        GLU  33  -1.819  -7.281  -6.705
  269    HA   GLU  33           HA       GLU  33  -3.309  -9.627  -6.313
  270   1HB   GLU  33          2HB       GLU  33  -3.285  -7.281  -4.366
  271   2HB   GLU  33          1HB       GLU  33  -3.519  -8.992  -3.993
  272   1HG   GLU  33          2HG       GLU  33  -0.947  -7.653  -4.914
  273   2HG   GLU  33          1HG       GLU  33  -1.280  -8.331  -3.322
  274    H    CYS  34           H        CYS  34  -4.384  -6.265  -6.093
  275    HA   CYS  34           HA       CYS  34  -7.138  -6.789  -5.565
  276   1HB   CYS  34          2HB       CYS  34  -5.729  -4.325  -6.687
  277   2HB   CYS  34          1HB       CYS  34  -7.405  -4.358  -6.101
  278    H    GLY  35           H        GLY  35  -5.446  -5.841  -8.532
  279   1HA   GLY  35          2HA       GLY  35  -7.759  -5.556 -10.178
  280   2HA   GLY  35          1HA       GLY  35  -6.087  -5.680 -10.747
  281    H    LYS  36           H        LYS  36  -5.182  -7.996 -10.372
  282    HA   LYS  36           HA       LYS  36  -6.474  -9.693 -12.226
  283   1HB   LYS  36          2HB       LYS  36  -4.023  -9.692 -11.761
  284   2HB   LYS  36          1HB       LYS  36  -4.337 -10.419 -10.176
  285   1HG   LYS  36          2HG       LYS  36  -5.374 -12.397 -11.328
  286   2HG   LYS  36          1HG       LYS  36  -4.954 -11.672 -12.886
  287   1HD   LYS  36          2HD       LYS  36  -3.313 -13.375 -12.302
  288   2HD   LYS  36          1HD       LYS  36  -2.546 -11.779 -12.281
  289   1HE   LYS  36          2HE       LYS  36  -2.653 -11.720  -9.817
  290   2HE   LYS  36          1HE       LYS  36  -3.538 -13.263  -9.798
  291   1HZ   LYS  36          1HZ       LYS  36  -0.803 -12.839 -10.854
  292   2HZ   LYS  36          3HZ       LYS  36  -1.197 -13.567  -9.372
  293   3HZ   LYS  36          2HZ       LYS  36  -1.645 -14.313 -10.830
  294    H    LEU  37           H        LEU  37  -5.900 -10.354  -8.754
  295    HA   LEU  37           HA       LEU  37  -7.849 -12.509  -8.724
  296   1HB   LEU  37          2HB       LEU  37  -5.667 -12.316  -7.355
  297   2HB   LEU  37          1HB       LEU  37  -6.552 -11.220  -6.296
  298    HG   LEU  37           HG       LEU  37  -7.235 -14.117  -6.856
  299   1HD1  LEU  37          2HD1      LEU  37  -5.261 -13.890  -5.446
  300   2HD1  LEU  37          1HD1      LEU  37  -6.127 -12.779  -4.359
  301   3HD1  LEU  37          3HD1      LEU  37  -6.630 -14.481  -4.477
  302   1HD2  LEU  37          2HD2      LEU  37  -8.659 -12.179  -4.991
  303   2HD2  LEU  37          1HD2      LEU  37  -9.328 -12.936  -6.460
  304   3HD2  LEU  37          3HD2      LEU  37  -8.924 -13.938  -5.062
  305   1H    TRP   1          1H        TRP   1  -5.608   1.095  11.857
  306   2H    TRP   1          3H        TRP   1  -5.547   2.429  10.805
  307   3H    TRP   1          2H        TRP   1  -7.019   1.979  11.522
  308    HA   TRP   1           HA       TRP   1  -6.966   1.297   9.241
  309   1HB   TRP   1          2HB       TRP   1  -4.447   1.184   9.188
  310   2HB   TRP   1          1HB       TRP   1  -4.521  -0.337  10.087
  311    HD1  TRP   1          1HD       TRP   1  -6.347  -2.309   8.639
  312    HE1  TRP   1          1HE       TRP   1  -6.269  -2.873   6.185
  313    HE3  TRP   1          3HE       TRP   1  -3.773   1.799   7.016
  314    HZ2  TRP   1          2HZ       TRP   1  -5.236  -1.692   3.820
  315    HZ3  TRP   1          3HZ       TRP   1  -3.238   2.014   4.613
  316    HH2  TRP   1          2HH       TRP   1  -3.969   0.272   3.019
  317    H    SER   2           H        SER   2  -5.641  -1.254  11.315
  318    HA   SER   2           HA       SER   2  -8.211  -2.287  12.199
  319   1HB   SER   2          2HB       SER   2  -6.514  -3.828  10.184
  320   2HB   SER   2          1HB       SER   2  -7.791  -4.582  11.158
  321    HG   SER   2           HG       SER   2  -8.120  -2.476   9.249
  322    H    THR   3           H        THR   3  -7.888  -4.384  13.393
  323    HA   THR   3           HA       THR   3  -5.612  -4.262  15.175
  324    HB   THR   3           HB       THR   3  -7.783  -6.382  14.845
  325    HG1  THR   3           HG1      THR   3  -7.504  -4.194  16.655
  326   1HG2  THR   3          1HG2      THR   3  -5.844  -5.946  17.165
  327   2HG2  THR   3          3HG2      THR   3  -7.196  -7.103  17.139
  328   3HG2  THR   3          2HG2      THR   3  -5.818  -7.323  16.037
  329    H    ILE   4           H        ILE   4  -6.789  -6.852  13.042
  330    HA   ILE   4           HA       ILE   4  -4.173  -8.161  13.002
  331    HB   ILE   4           HB       ILE   4  -6.808  -8.879  11.677
  332   1HG1  ILE   4          2HG1      ILE   4  -7.081  -8.926  14.073
  333   2HG1  ILE   4          1HG1      ILE   4  -7.054 -10.576  13.449
  334   1HG2  ILE   4          1HG2      ILE   4  -4.298 -10.571  11.981
  335   2HG2  ILE   4          3HG2      ILE   4  -5.872 -11.156  11.395
  336   3HG2  ILE   4          2HG2      ILE   4  -4.978  -9.938  10.463
  337   1HD1  ILE   4          2HD1      ILE   4  -4.694 -10.830  14.198
  338   2HD1  ILE   4          1HD1      ILE   4  -4.722  -9.166  14.831
  339   3HD1  ILE   4          3HD1      ILE   4  -5.770 -10.409  15.549
  340    H    VAL   5           H        VAL   5  -6.419  -6.783  10.623
  341    HA   VAL   5           HA       VAL   5  -4.982  -7.406   8.300
  342    HB   VAL   5           HB       VAL   5  -6.804  -5.015   8.697
  343   1HG1  VAL   5          1HG1      VAL   5  -6.026  -6.474   6.151
  344   2HG1  VAL   5          3HG1      VAL   5  -7.249  -5.187   6.280
  345   3HG1  VAL   5          2HG1      VAL   5  -5.543  -4.824   6.620
  346   1HG2  VAL   5          2HG2      VAL   5  -7.526  -7.851   7.867
  347   2HG2  VAL   5          1HG2      VAL   5  -7.968  -7.054   9.394
  348   3HG2  VAL   5          3HG2      VAL   5  -8.627  -6.455   7.856
  349    H    LYS   6           H        LYS   6  -4.800  -4.467  10.298
  350    HA   LYS   6           HA       LYS   6  -3.060  -2.910   8.751
  351   1HB   LYS   6          2HB       LYS   6  -4.107  -2.104  10.852
  352   2HB   LYS   6          1HB       LYS   6  -3.064  -3.183  11.794
  353   1HG   LYS   6          2HG       LYS   6  -1.056  -1.992  10.754
  354   2HG   LYS   6          1HG       LYS   6  -2.191  -0.828  10.072
  355   1HD   LYS   6          2HD       LYS   6  -1.939  -1.333  13.054
  356   2HD   LYS   6          1HD       LYS   6  -0.940  -0.163  12.193
  357   1HE   LYS   6          2HE       LYS   6  -2.723   1.081  13.193
  358   2HE   LYS   6          1HE       LYS   6  -3.109   0.987  11.462
  359   1HZ   LYS   6          2HZ       LYS   6  -4.560  -0.863  11.930
  360   2HZ   LYS   6          1HZ       LYS   6  -4.195  -0.769  13.584
  361   3HZ   LYS   6          3HZ       LYS   6  -5.020   0.505  12.825
  362    H    LEU   7           H        LEU   7  -2.202  -5.203  11.330
  363    HA   LEU   7           HA       LEU   7   0.579  -5.021  11.251
  364   1HB   LEU   7          2HB       LEU   7  -1.136  -7.474  11.832
  365   2HB   LEU   7          1HB       LEU   7   0.571  -7.306  12.252
  366    HG   LEU   7           HG       LEU   7  -1.660  -5.523  13.291
  367   1HD1  LEU   7          1HD1      LEU   7  -0.197  -7.806  14.680
  368   2HD1  LEU   7          3HD1      LEU   7  -1.350  -6.695  15.456
  369   3HD1  LEU   7          2HD1      LEU   7  -1.904  -7.797  14.174
  370   1HD2  LEU   7          2HD2      LEU   7   1.267  -5.676  14.111
  371   2HD2  LEU   7          1HD2      LEU   7   0.480  -4.335  13.247
  372   3HD2  LEU   7          3HD2      LEU   7   0.015  -4.705  14.920
  373    H    THR   8           H        THR   8  -1.551  -7.040   9.306
  374    HA   THR   8           HA       THR   8   0.481  -8.626   8.069
  375    HB   THR   8           HB       THR   8  -2.344  -8.013   7.091
  376    HG1  THR   8           HG1      THR   8  -2.259  -8.893   9.226
  377   1HG2  THR   8          1HG2      THR   8  -0.498 -10.377   6.499
  378   2HG2  THR   8          3HG2      THR   8  -2.188 -10.225   5.970
  379   3HG2  THR   8          2HG2      THR   8  -0.958  -9.102   5.347
  380    H    ILE   9           H        ILE   9  -1.379  -5.820   6.881
  381    HA   ILE   9           HA       ILE   9  -0.073  -5.939   4.299
  382    HB   ILE   9           HB       ILE   9  -2.481  -5.407   4.608
  383   1HG1  ILE   9          2HG1      ILE   9  -2.596  -3.606   2.899
  384   2HG1  ILE   9          1HG1      ILE   9  -0.870  -3.312   3.121
  385   1HG2  ILE   9          2HG2      ILE   9  -2.387  -3.890   6.552
  386   2HG2  ILE   9          1HG2      ILE   9  -1.548  -2.671   5.573
  387   3HG2  ILE   9          3HG2      ILE   9  -3.214  -3.132   5.177
  388   1HD1  ILE   9          1HD1      ILE   9  -2.088  -5.927   2.131
  389   2HD1  ILE   9          3HD1      ILE   9  -1.294  -4.696   1.121
  390   3HD1  ILE   9          2HD1      ILE   9  -0.349  -5.600   2.321
  391    H    CYS  10           H        CYS  10  -0.105  -3.604   6.941
  392    HA   CYS  10           HA       CYS  10   1.223  -1.453   6.019
  393   1HB   CYS  10          2HB       CYS  10   1.362  -2.772   8.728
  394   2HB   CYS  10          1HB       CYS  10   2.249  -1.279   8.391
  395    HA   PRO  11           HA       PRO  11   5.726  -3.115   6.944
  396   1HB   PRO  11          2HB       PRO  11   6.038  -5.835   6.382
  397   2HB   PRO  11          1HB       PRO  11   5.848  -5.146   8.024
  398   1HG   PRO  11          1HG       PRO  11   3.714  -6.304   6.185
  399   2HG   PRO  11          2HG       PRO  11   4.009  -6.649   7.922
  400   1HD   PRO  11          1HD       PRO  11   2.093  -4.918   7.264
  401   2HD   PRO  11          2HD       PRO  11   3.214  -4.484   8.597
  402    H    THR  12           H        THR  12   3.849  -5.006   4.589
  403    HA   THR  12           HA       THR  12   5.605  -4.821   2.373
  404    HB   THR  12           HB       THR  12   2.552  -4.934   2.315
  405    HG1  THR  12           HG1      THR  12   2.924  -7.217   2.299
  406   1HG2  THR  12          2HG2      THR  12   3.570  -4.501   0.092
  407   2HG2  THR  12          1HG2      THR  12   4.617  -5.922   0.295
  408   3HG2  THR  12          3HG2      THR  12   2.855  -6.126   0.173
  409    H    LEU  13           H        LEU  13   2.903  -2.770   3.398
  410    HA   LEU  13           HA       LEU  13   2.838  -0.956   1.256
  411   1HB   LEU  13          2HB       LEU  13   2.144  -0.424   4.176
  412   2HB   LEU  13          1HB       LEU  13   1.713   0.605   2.808
  413    HG   LEU  13           HG       LEU  13   0.771  -2.234   3.240
  414   1HD1  LEU  13          1HD1      LEU  13  -0.729   0.406   3.497
  415   2HD1  LEU  13          3HD1      LEU  13  -1.467  -1.208   3.606
  416   3HD1  LEU  13          2HD1      LEU  13  -0.283  -0.689   4.825
  417   1HD2  LEU  13          2HD2      LEU  13   0.019  -0.264   1.043
  418   2HD2  LEU  13          1HD2      LEU  13   0.950  -1.768   0.846
  419   3HD2  LEU  13          3HD2      LEU  13  -0.758  -1.839   1.325
  420    H    LYS  14           H        LYS  14   4.894  -0.955   4.118
  421    HA   LYS  14           HA       LYS  14   5.936   1.677   3.915
  422   1HB   LYS  14          2HB       LYS  14   7.128  -0.883   5.052
  423   2HB   LYS  14          1HB       LYS  14   7.930   0.688   5.169
  424   1HG   LYS  14          2HG       LYS  14   5.162   0.068   6.282
  425   2HG   LYS  14          1HG       LYS  14   6.660   0.074   7.228
  426   1HD   LYS  14          2HD       LYS  14   6.987   2.483   6.654
  427   2HD   LYS  14          1HD       LYS  14   5.461   2.468   5.755
  428   1HE   LYS  14          2HE       LYS  14   5.732   1.905   8.740
  429   2HE   LYS  14          1HE       LYS  14   5.203   3.441   8.021
  430   1HZ   LYS  14          1HZ       LYS  14   3.874   0.817   7.669
  431   2HZ   LYS  14          3HZ       LYS  14   3.348   2.073   8.685
  432   3HZ   LYS  14          2HZ       LYS  14   3.365   2.295   7.001
  433    H    SER  15           H        SER  15   7.169  -1.392   2.654
  434    HA   SER  15           HA       SER  15   9.522  -0.517   1.411
  435   1HB   SER  15          2HB       SER  15   7.610  -2.701   0.449
  436   2HB   SER  15          1HB       SER  15   9.327  -2.533   0.006
  437    HG   SER  15           HG       SER  15   8.318  -2.933   2.653
  438    H    MET  16           H        MET  16   6.273  -0.817   0.042
  439    HA   MET  16           HA       MET  16   6.681   0.349  -2.496
  440   1HB   MET  16          2HB       MET  16   4.655  -0.898  -1.848
  441   2HB   MET  16          1HB       MET  16   4.239   0.346  -0.665
  442   1HG   MET  16          2HG       MET  16   3.970   1.987  -2.517
  443   2HG   MET  16          1HG       MET  16   4.357   0.715  -3.686
  444   1HE   MET  16          1HE       MET  16   1.783   2.097  -1.052
  445   2HE   MET  16          3HE       MET  16   0.551   0.815  -1.012
  446   3HE   MET  16          2HE       MET  16   2.173   0.507  -0.353
  447    H    ALA  17           H        ALA  17   5.920   1.792   0.619
  448    HA   ALA  17           HA       ALA  17   4.799   4.235  -0.189
  449   1HB   ALA  17          1HB       ALA  17   6.304   3.572   2.381
  450   2HB   ALA  17          3HB       ALA  17   5.263   4.987   2.139
  451   3HB   ALA  17          2HB       ALA  17   4.562   3.360   2.091
  452    H    LYS  18           H        LYS  18   8.132   3.525   0.792
  453    HA   LYS  18           HA       LYS  18   9.193   6.128   0.670
  454   1HB   LYS  18          2HB       LYS  18  10.690   3.563  -0.022
  455   2HB   LYS  18          1HB       LYS  18  11.382   5.077   0.580
  456   1HG   LYS  18          2HG       LYS  18   9.586   3.148   2.103
  457   2HG   LYS  18          1HG       LYS  18  11.303   3.443   2.381
  458   1HD   LYS  18          2HD       LYS  18  10.849   5.713   3.164
  459   2HD   LYS  18          1HD       LYS  18   9.132   5.553   2.761
  460   1HE   LYS  18          2HE       LYS  18  10.596   3.882   4.857
  461   2HE   LYS  18          1HE       LYS  18   9.551   5.278   5.200
  462   1HZ   LYS  18          1HZ       LYS  18   8.722   2.790   3.818
  463   2HZ   LYS  18          3HZ       LYS  18   8.366   3.201   5.427
  464   3HZ   LYS  18          2HZ       LYS  18   7.727   4.123   4.152
  465    H    LYS  19           H        LYS  19   9.172   3.592  -1.811
  466    HA   LYS  19           HA       LYS  19  10.206   5.407  -3.868
  467   1HB   LYS  19          2HB       LYS  19  10.185   3.393  -5.297
  468   2HB   LYS  19          1HB       LYS  19  11.036   3.121  -3.772
  469   1HG   LYS  19          2HG       LYS  19   9.024   1.977  -2.856
  470   2HG   LYS  19          1HG       LYS  19   8.188   2.228  -4.396
  471   1HD   LYS  19          2HD       LYS  19   9.963   0.862  -5.534
  472   2HD   LYS  19          1HD       LYS  19  10.715   0.578  -3.961
  473   1HE   LYS  19          2HE       LYS  19   9.326  -1.350  -4.661
  474   2HE   LYS  19          1HE       LYS  19   8.705  -0.611  -3.167
  475   1HZ   LYS  19          1HZ       LYS  19   7.690  -0.113  -5.907
  476   2HZ   LYS  19          3HZ       LYS  19   6.944  -1.081  -4.729
  477   3HZ   LYS  19          2HZ       LYS  19   7.097   0.593  -4.482
  478    H    CYS  20           H        CYS  20   7.508   5.922  -2.715
  479    HA   CYS  20           HA       CYS  20   5.779   5.626  -5.090
  480   1HB   CYS  20          2HB       CYS  20   5.229   6.795  -2.338
  481   2HB   CYS  20          1HB       CYS  20   4.069   6.820  -3.664
  482    H    GLU  21           H        GLU  21   4.433   7.516  -5.610
  483    HA   GLU  21           HA       GLU  21   6.054   9.824  -6.393
  484   1HB   GLU  21          2HB       GLU  21   3.068   9.248  -6.750
  485   2HB   GLU  21          1HB       GLU  21   4.035  10.422  -7.656
  486   1HG   GLU  21          2HG       GLU  21   5.270   8.667  -8.781
  487   2HG   GLU  21          1HG       GLU  21   4.583   7.415  -7.735
  488    H    GLY  22           H        GLY  22   5.448  11.989  -5.818
  489   1HA   GLY  22          2HA       GLY  22   4.838  13.702  -4.385
  490   2HA   GLY  22          1HA       GLY  22   3.323  12.809  -4.183
  491    H    SER  23           H        SER  23   3.499  13.842  -2.043
  492    HA   SER  23           HA       SER  23   5.268  12.553  -0.085
  493   1HB   SER  23          2HB       SER  23   2.973  14.538   0.258
  494   2HB   SER  23          1HB       SER  23   4.070  13.998   1.550
  495    HG   SER  23           HG       SER  23   5.819  14.860   0.281
  496    H    ILE  24           H        ILE  24   3.540  10.815  -1.562
  497    HA   ILE  24           HA       ILE  24   1.315   9.949   0.037
  498    HB   ILE  24           HB       ILE  24   2.898   8.557  -2.144
  499   1HG1  ILE  24          2HG1      ILE  24   1.816  10.584  -2.952
  500   2HG1  ILE  24          1HG1      ILE  24   1.046   9.148  -3.632
  501   1HG2  ILE  24          1HG2      ILE  24   0.232   7.719  -0.945
  502   2HG2  ILE  24          3HG2      ILE  24   0.971   7.023  -2.407
  503   3HG2  ILE  24          2HG2      ILE  24   1.774   6.838  -0.834
  504   1HD1  ILE  24          2HD1      ILE  24  -0.826   9.398  -2.005
  505   2HD1  ILE  24          1HD1      ILE  24  -0.037  10.848  -1.339
  506   3HD1  ILE  24          3HD1      ILE  24  -0.627  10.847  -3.014
  507    H    ALA  25           H        ALA  25   4.709   9.107  -0.128
  508    HA   ALA  25           HA       ALA  25   4.955   6.802   1.359
  509   1HB   ALA  25          2HB       ALA  25   6.869   8.060   0.384
  510   2HB   ALA  25          1HB       ALA  25   6.656   9.334   1.600
  511   3HB   ALA  25          3HB       ALA  25   7.157   7.702   2.103
  512    H    THR  26           H        THR  26   4.678  10.098   2.593
  513    HA   THR  26           HA       THR  26   4.767   9.610   5.369
  514    HB   THR  26           HB       THR  26   3.281  11.799   3.846
  515    HG1  THR  26           HG1      THR  26   5.948  11.674   4.862
  516   1HG2  THR  26          1HG2      THR  26   4.324  11.786   6.717
  517   2HG2  THR  26          3HG2      THR  26   3.601  13.177   5.877
  518   3HG2  THR  26          2HG2      THR  26   2.611  11.746   6.236
  519    H    MET  27           H        MET  27   2.016   9.770   3.145
  520    HA   MET  27           HA       MET  27  -0.103   9.620   4.993
  521   1HB   MET  27          2HB       MET  27  -0.014   8.545   2.139
  522   2HB   MET  27          1HB       MET  27  -1.476   8.865   3.075
  523   1HG   MET  27          2HG       MET  27  -0.870  11.273   3.199
  524   2HG   MET  27          1HG       MET  27   0.575  10.949   2.226
  525   1HE   MET  27          1HE       MET  27  -0.033  12.749   0.455
  526   2HE   MET  27          3HE       MET  27  -1.630  12.895  -0.319
  527   3HE   MET  27          2HE       MET  27  -1.458  13.186   1.429
  528    H    ILE  28           H        ILE  28   1.348   6.977   3.101
  529    HA   ILE  28           HA       ILE  28  -0.086   4.791   4.073
  530    HB   ILE  28           HB       ILE  28   2.854   4.974   3.307
  531   1HG1  ILE  28          2HG1      ILE  28   1.460   5.749   1.482
  532   2HG1  ILE  28          1HG1      ILE  28   2.196   4.195   1.081
  533   1HG2  ILE  28          1HG2      ILE  28   1.107   2.498   3.514
  534   2HG2  ILE  28          3HG2      ILE  28   2.735   2.549   2.793
  535   3HG2  ILE  28          2HG2      ILE  28   2.517   2.898   4.521
  536   1HD1  ILE  28          2HD1      ILE  28   0.045   3.048   1.592
  537   2HD1  ILE  28          1HD1      ILE  28  -0.688   4.620   1.994
  538   3HD1  ILE  28          3HD1      ILE  28  -0.151   4.286   0.333
  539    H    LYS  29           H        LYS  29   2.956   6.107   5.271
  540    HA   LYS  29           HA       LYS  29   3.390   4.426   7.482
  541   1HB   LYS  29          2HB       LYS  29   5.068   5.909   6.464
  542   2HB   LYS  29          1HB       LYS  29   4.182   7.334   7.022
  543   1HG   LYS  29          2HG       LYS  29   4.641   6.786   9.350
  544   2HG   LYS  29          1HG       LYS  29   5.386   5.248   8.889
  545   1HD   LYS  29          2HD       LYS  29   6.450   8.001   8.134
  546   2HD   LYS  29          1HD       LYS  29   7.059   6.997   9.460
  547   1HE   LYS  29          2HE       LYS  29   7.702   5.228   7.815
  548   2HE   LYS  29          1HE       LYS  29   7.129   6.267   6.490
  549   1HZ   LYS  29          2HZ       LYS  29   8.709   7.937   7.160
  550   2HZ   LYS  29          1HZ       LYS  29   9.263   6.947   8.424
  551   3HZ   LYS  29          3HZ       LYS  29   9.491   6.470   6.811
  552    H    LYS  30           H        LYS  30   1.472   7.369   7.195
  553    HA   LYS  30           HA       LYS  30   1.234   8.008   9.920
  554   1HB   LYS  30          2HB       LYS  30   0.701   9.601   8.158
  555   2HB   LYS  30          1HB       LYS  30  -0.642   8.602   7.604
  556   1HG   LYS  30          2HG       LYS  30  -1.517  10.489   8.808
  557   2HG   LYS  30          1HG       LYS  30  -1.848   9.022   9.725
  558   1HD   LYS  30          2HD       LYS  30   0.505  10.831  10.375
  559   2HD   LYS  30          1HD       LYS  30  -1.113  11.131  11.017
  560   1HE   LYS  30          2HE       LYS  30  -1.060   8.818  12.046
  561   2HE   LYS  30          1HE       LYS  30   0.642   8.689  11.553
  562   1HZ   LYS  30          1HZ       LYS  30  -0.485  10.786  13.294
  563   2HZ   LYS  30          3HZ       LYS  30   0.447   9.457  13.795
  564   3HZ   LYS  30          2HZ       LYS  30   1.137  10.654  12.806
  565    H    LYS  31           H        LYS  31  -1.199   6.343   7.858
  566    HA   LYS  31           HA       LYS  31  -2.995   5.772   9.961
  567   1HB   LYS  31          2HB       LYS  31  -2.632   4.525   7.237
  568   2HB   LYS  31          1HB       LYS  31  -3.787   3.851   8.394
  569   1HG   LYS  31          2HG       LYS  31  -5.081   5.322   7.092
  570   2HG   LYS  31          1HG       LYS  31  -4.778   6.211   8.586
  571   1HD   LYS  31          2HD       LYS  31  -4.531   7.771   6.800
  572   2HD   LYS  31          1HD       LYS  31  -2.894   7.428   7.378
  573   1HE   LYS  31          2HE       LYS  31  -2.515   5.885   5.491
  574   2HE   LYS  31          1HE       LYS  31  -4.196   6.104   4.957
  575   1HZ   LYS  31          2HZ       LYS  31  -3.752   8.434   4.625
  576   2HZ   LYS  31          1HZ       LYS  31  -2.145   8.232   5.137
  577   3HZ   LYS  31          3HZ       LYS  31  -2.683   7.484   3.710
  578    H    CYS  32           H        CYS  32  -0.404   3.754   8.630
  579    HA   CYS  32           HA       CYS  32  -0.864   1.423  10.166
  580   1HB   CYS  32          2HB       CYS  32   1.613   2.608   8.871
  581   2HB   CYS  32          1HB       CYS  32   1.655   1.053   9.718
  582    H    ASP  33           H        ASP  33   1.948   3.527  10.713
  583    HA   ASP  33           HA       ASP  33   1.765   3.044  13.619
  584   1HB   ASP  33          2HB       ASP  33   4.042   4.125  13.703
  585   2HB   ASP  33          1HB       ASP  33   3.940   2.585  12.839
  586    H    LYS  34           H        LYS  34  -0.233   4.330  13.423
  587    HA   LYS  34           HA       LYS  34  -0.137   7.184  13.152
  588   1HB   LYS  34          2HB       LYS  34  -2.138   5.732  12.797
  589   2HB   LYS  34          1HB       LYS  34  -2.182   5.389  14.529
  590   1HG   LYS  34          2HG       LYS  34  -2.671   7.729  15.040
  591   2HG   LYS  34          1HG       LYS  34  -2.480   8.181  13.339
  592   1HD   LYS  34          2HD       LYS  34  -4.620   6.314  14.455
  593   2HD   LYS  34          1HD       LYS  34  -4.864   8.012  14.022
  594   1HE   LYS  34          2HE       LYS  34  -4.302   7.483  11.646
  595   2HE   LYS  34          1HE       LYS  34  -4.101   5.771  12.086
  596   1HZ   LYS  34          1HZ       LYS  34  -6.571   7.368  12.416
  597   2HZ   LYS  34          3HZ       LYS  34  -6.286   6.208  11.208
  598   3HZ   LYS  34          2HZ       LYS  34  -6.376   5.736  12.838
   
  No H/Q in entry =         598
  Start of MODEL          18
 Raw file had  604 H/Q atoms
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1   2.948 -13.586   7.846
    2   2H    GLY   1          3H        GLY   1   3.983 -12.589   8.754
    3   3H    GLY   1          2H        GLY   1   2.619 -11.925   7.988
    4   1HA   GLY   1          2HA       GLY   1   4.621 -11.386   6.787
    5   2HA   GLY   1          1HA       GLY   1   4.967 -13.120   6.637
    6    H    VAL   2           H        VAL   2   2.924 -14.367   5.848
    7    HA   VAL   2           HA       VAL   2   2.380 -13.566   3.158
    8    HB   VAL   2           HB       VAL   2   2.545 -15.900   4.011
    9   1HG1  VAL   2          2HG1      VAL   2   1.333 -15.737   6.111
   10   2HG1  VAL   2          1HG1      VAL   2  -0.189 -15.413   5.248
   11   3HG1  VAL   2          3HG1      VAL   2   0.608 -16.995   5.086
   12   1HG2  VAL   2          1HG2      VAL   2   1.559 -15.540   1.817
   13   2HG2  VAL   2          3HG2      VAL   2   0.770 -16.901   2.643
   14   3HG2  VAL   2          2HG2      VAL   2  -0.055 -15.332   2.540
   15    H    ILE   3           H        ILE   3   0.203 -13.426   2.243
   16    HA   ILE   3           HA       ILE   3  -1.822 -12.113   3.964
   17    HB   ILE   3           HB       ILE   3  -0.796 -10.958   1.346
   18   1HG1  ILE   3          2HG1      ILE   3  -0.393 -10.011   4.209
   19   2HG1  ILE   3          1HG1      ILE   3   0.847 -10.625   3.116
   20   1HG2  ILE   3          2HG2      ILE   3  -3.209 -10.566   1.669
   21   2HG2  ILE   3          1HG2      ILE   3  -2.897  -9.926   3.298
   22   3HG2  ILE   3          3HG2      ILE   3  -2.314  -9.048   1.865
   23   1HD1  ILE   3          1HD1      ILE   3  -0.705  -8.033   2.713
   24   2HD1  ILE   3          3HD1      ILE   3   0.970  -8.182   3.284
   25   3HD1  ILE   3          2HD1      ILE   3   0.552  -8.679   1.629
   26    HA   PRO   4           HA       PRO   4  -3.953 -15.146   1.346
   27   1HB   PRO   4          2HB       PRO   4  -6.240 -15.352   2.796
   28   2HB   PRO   4          1HB       PRO   4  -4.684 -15.970   3.444
   29   1HG   PRO   4          1HG       PRO   4  -5.996 -13.260   3.936
   30   2HG   PRO   4          2HG       PRO   4  -5.432 -14.454   5.154
   31   1HD   PRO   4          1HD       PRO   4  -3.844 -12.374   4.381
   32   2HD   PRO   4          2HD       PRO   4  -3.143 -13.992   4.724
   33    H    LYS   5           H        LYS   5  -6.237 -15.290   0.468
   34    HA   LYS   5           HA       LYS   5  -6.728 -13.195  -1.328
   35   1HB   LYS   5          2HB       LYS   5  -7.389 -15.520  -1.717
   36   2HB   LYS   5          1HB       LYS   5  -8.572 -15.439  -0.406
   37   1HG   LYS   5          2HG       LYS   5  -9.879 -13.755  -1.622
   38   2HG   LYS   5          1HG       LYS   5  -8.685 -13.721  -2.920
   39   1HD   LYS   5          2HD       LYS   5 -10.187 -16.255  -2.203
   40   2HD   LYS   5          1HD       LYS   5 -10.866 -15.047  -3.296
   41   1HE   LYS   5          2HE       LYS   5  -9.830 -16.827  -4.603
   42   2HE   LYS   5          1HE       LYS   5  -8.894 -15.334  -4.812
   43   1HZ   LYS   5          1HZ       LYS   5  -8.222 -17.533  -2.948
   44   2HZ   LYS   5          3HZ       LYS   5  -7.496 -17.258  -4.459
   45   3HZ   LYS   5          2HZ       LYS   5  -7.314 -16.121  -3.213
   46    H    LYS   6           H        LYS   6  -8.471 -14.054   1.639
   47    HA   LYS   6           HA       LYS   6 -10.557 -12.187   1.505
   48   1HB   LYS   6          2HB       LYS   6 -10.503 -14.068   3.097
   49   2HB   LYS   6          1HB       LYS   6  -9.173 -13.301   3.978
   50   1HG   LYS   6          2HG       LYS   6 -11.335 -12.956   5.121
   51   2HG   LYS   6          1HG       LYS   6 -10.631 -11.418   4.605
   52   1HD   LYS   6          2HD       LYS   6 -12.150 -11.396   2.626
   53   2HD   LYS   6          1HD       LYS   6 -12.857 -12.931   3.162
   54   1HE   LYS   6          2HE       LYS   6 -13.672 -11.833   5.234
   55   2HE   LYS   6          1HE       LYS   6 -12.938 -10.297   4.714
   56   1HZ   LYS   6          2HZ       LYS   6 -14.331 -10.346   2.759
   57   2HZ   LYS   6          1HZ       LYS   6 -15.030 -11.810   3.258
   58   3HZ   LYS   6          3HZ       LYS   6 -15.274 -10.399   4.170
   59    H    ILE   7           H        ILE   7  -7.406 -11.843   3.135
   60    HA   ILE   7           HA       ILE   7  -7.800  -9.218   4.113
   61    HB   ILE   7           HB       ILE   7  -5.242 -10.671   3.379
   62   1HG1  ILE   7          2HG1      ILE   7  -6.527 -11.762   5.163
   63   2HG1  ILE   7          1HG1      ILE   7  -5.004 -11.100   5.768
   64   1HG2  ILE   7          1HG2      ILE   7  -5.546  -8.070   4.937
   65   2HG2  ILE   7          3HG2      ILE   7  -4.049  -9.017   4.806
   66   3HG2  ILE   7          2HG2      ILE   7  -4.757  -8.276   3.357
   67   1HD1  ILE   7          2HD1      ILE   7  -6.237  -9.163   6.734
   68   2HD1  ILE   7          1HD1      ILE   7  -7.767  -9.838   6.123
   69   3HD1  ILE   7          3HD1      ILE   7  -6.842 -10.708   7.366
   70    H    TRP   8           H        TRP   8  -6.383 -10.322   1.046
   71    HA   TRP   8           HA       TRP   8  -5.662  -7.834  -0.021
   72   1HB   TRP   8          2HB       TRP   8  -6.571 -10.409  -1.330
   73   2HB   TRP   8          1HB       TRP   8  -6.111  -8.995  -2.299
   74    HD1  TRP   8          1HD       TRP   8  -4.478 -12.071  -1.550
   75    HE1  TRP   8          1HE       TRP   8  -1.985 -11.911  -1.231
   76    HE3  TRP   8          3HE       TRP   8  -4.127  -7.009  -0.786
   77    HZ2  TRP   8          2HZ       TRP   8  -0.092  -9.882  -0.687
   78    HZ3  TRP   8          3HZ       TRP   8  -1.917  -6.020  -0.356
   79    HH2  TRP   8          2HH       TRP   8   0.102  -7.447  -0.318
   80    H    GLU   9           H        GLU   9  -8.796  -9.467  -0.175
   81    HA   GLU   9           HA       GLU   9 -10.209  -7.595  -1.756
   82   1HB   GLU   9          2HB       GLU   9 -11.212  -9.350   0.533
   83   2HB   GLU   9          1HB       GLU   9 -12.244  -8.486  -0.610
   84   1HG   GLU   9          2HG       GLU   9 -11.443  -9.817  -2.472
   85   2HG   GLU   9          1HG       GLU   9 -10.191 -10.569  -1.470
   86    H    THR  10           H        THR  10  -9.733  -7.770   1.745
   87    HA   THR  10           HA       THR  10 -11.397  -5.624   2.539
   88    HB   THR  10           HB       THR  10  -8.879  -6.724   3.866
   89    HG1  THR  10           HG1      THR  10 -10.550  -8.271   3.474
   90   1HG2  THR  10          1HG2      THR  10 -11.189  -5.157   5.099
   91   2HG2  THR  10          3HG2      THR  10  -9.841  -5.907   5.989
   92   3HG2  THR  10          2HG2      THR  10  -9.528  -4.556   4.876
   93    H    VAL  11           H        VAL  11  -7.910  -5.712   1.901
   94    HA   VAL  11           HA       VAL  11  -7.460  -2.955   2.549
   95    HB   VAL  11           HB       VAL  11  -5.201  -3.281   1.753
   96   1HG1  VAL  11          1HG1      VAL  11  -6.183  -5.612   3.432
   97   2HG1  VAL  11          3HG1      VAL  11  -4.492  -5.088   3.286
   98   3HG1  VAL  11          2HG1      VAL  11  -5.699  -4.005   4.013
   99   1HG2  VAL  11          2HG2      VAL  11  -6.075  -6.010   0.766
  100   2HG2  VAL  11          1HG2      VAL  11  -5.537  -4.646  -0.239
  101   3HG2  VAL  11          3HG2      VAL  11  -4.395  -5.441   0.866
  102    H    CYS  12           H        CYS  12  -8.149  -4.632  -0.433
  103    HA   CYS  12           HA       CYS  12  -7.210  -3.353  -2.534
  104   1HB   CYS  12          2HB       CYS  12  -9.984  -4.304  -1.962
  105   2HB   CYS  12          1HB       CYS  12  -9.748  -3.358  -3.426
  106    HA   PRO  13           HA       PRO  13 -10.110   0.486  -2.747
  107   1HB   PRO  13          2HB       PRO  13 -11.558   1.210  -0.512
  108   2HB   PRO  13          1HB       PRO  13 -12.178   0.085  -1.765
  109   1HG   PRO  13          1HG       PRO  13 -10.801  -0.592   0.877
  110   2HG   PRO  13          2HG       PRO  13 -12.347  -1.230   0.221
  111   1HD   PRO  13          1HD       PRO  13 -10.074  -2.640  -0.095
  112   2HD   PRO  13          2HD       PRO  13 -11.245  -2.517  -1.450
  113    H    THR  14           H        THR  14  -8.977   0.009   0.583
  114    HA   THR  14           HA       THR  14  -8.217   2.675   1.163
  115    HB   THR  14           HB       THR  14  -7.076   0.087   2.313
  116    HG1  THR  14           HG1      THR  14  -8.772   0.394   3.862
  117   1HG2  THR  14          1HG2      THR  14  -7.268   2.887   3.518
  118   2HG2  THR  14          3HG2      THR  14  -6.712   1.428   4.364
  119   3HG2  THR  14          2HG2      THR  14  -5.772   2.075   3.000
  120    H    VAL  15           H        VAL  15  -6.325  -0.059  -0.042
  121    HA   VAL  15           HA       VAL  15  -3.816   1.325  -0.156
  122    HB   VAL  15           HB       VAL  15  -2.953  -0.625  -1.274
  123   1HG1  VAL  15          2HG1      VAL  15  -3.182  -0.745   1.147
  124   2HG1  VAL  15          1HG1      VAL  15  -4.839  -1.365   0.994
  125   3HG1  VAL  15          3HG1      VAL  15  -3.466  -2.349   0.430
  126   1HG2  VAL  15          1HG2      VAL  15  -4.751  -1.173  -2.838
  127   2HG2  VAL  15          3HG2      VAL  15  -4.333  -2.587  -1.847
  128   3HG2  VAL  15          2HG2      VAL  15  -5.800  -1.660  -1.485
  129    H    GLU  16           H        GLU  16  -6.436   0.886  -2.372
  130    HA   GLU  16           HA       GLU  16  -5.400   1.059  -4.888
  131   1HB   GLU  16          2HB       GLU  16  -7.783   0.781  -4.378
  132   2HB   GLU  16          1HB       GLU  16  -7.896   2.467  -3.867
  133   1HG   GLU  16          2HG       GLU  16  -7.313   3.189  -6.190
  134   2HG   GLU  16          1HG       GLU  16  -7.253   1.484  -6.684
  135    HA   PRO  17           HA       PRO  17  -5.472   5.933  -4.995
  136   1HB   PRO  17          2HB       PRO  17  -5.003   7.206  -2.567
  137   2HB   PRO  17          1HB       PRO  17  -6.631   6.918  -3.258
  138   1HG   PRO  17          1HG       PRO  17  -5.096   5.217  -1.244
  139   2HG   PRO  17          2HG       PRO  17  -6.788   5.817  -1.151
  140   1HD   PRO  17          1HD       PRO  17  -6.346   3.323  -1.998
  141   2HD   PRO  17          2HD       PRO  17  -7.520   4.344  -2.893
  142    H    TRP  18           H        TRP  18  -3.469   4.640  -2.327
  143    HA   TRP  18           HA       TRP  18  -1.145   6.192  -2.882
  144   1HB   TRP  18          2HB       TRP  18  -1.280   3.453  -1.545
  145   2HB   TRP  18          1HB       TRP  18   0.075   4.595  -1.467
  146    HD1  TRP  18          1HD       TRP  18  -1.268   7.363  -0.639
  147    HE1  TRP  18          1HE       TRP  18  -2.466   7.671   1.555
  148    HE3  TRP  18          3HE       TRP  18  -2.266   2.455   0.350
  149    HZ2  TRP  18          2HZ       TRP  18  -3.740   6.010   3.476
  150    HZ3  TRP  18          3HZ       TRP  18  -3.520   1.862   2.402
  151    HH2  TRP  18          2HH       TRP  18  -4.256   3.638   3.957
  152    H    ALA  19           H        ALA  19  -1.809   2.776  -3.588
  153    HA   ALA  19           HA       ALA  19   0.546   2.137  -4.961
  154   1HB   ALA  19          1HB       ALA  19  -2.256   0.967  -5.305
  155   2HB   ALA  19          3HB       ALA  19  -0.747   0.203  -5.858
  156   3HB   ALA  19          2HB       ALA  19  -1.037   0.444  -4.120
  157    H    LYS  20           H        LYS  20  -2.582   3.079  -6.317
  158    HA   LYS  20           HA       LYS  20  -1.955   3.077  -9.053
  159   1HB   LYS  20          2HB       LYS  20  -4.235   3.280  -8.117
  160   2HB   LYS  20          1HB       LYS  20  -3.859   4.893  -7.507
  161   1HG   LYS  20          2HG       LYS  20  -3.709   4.243 -10.466
  162   2HG   LYS  20          1HG       LYS  20  -5.240   4.669  -9.691
  163   1HD   LYS  20          2HD       LYS  20  -4.270   6.852  -8.986
  164   2HD   LYS  20          1HD       LYS  20  -2.753   6.445  -9.803
  165   1HE   LYS  20          2HE       LYS  20  -5.455   6.730 -11.181
  166   2HE   LYS  20          1HE       LYS  20  -4.158   7.945 -11.178
  167   1HZ   LYS  20          1HZ       LYS  20  -3.946   5.186 -12.239
  168   2HZ   LYS  20          3HZ       LYS  20  -4.112   6.599 -13.167
  169   3HZ   LYS  20          2HZ       LYS  20  -2.713   6.352 -12.236
  170    H    LYS  21           H        LYS  21  -1.852   5.782  -6.750
  171    HA   LYS  21           HA       LYS  21  -0.344   7.482  -8.615
  172   1HB   LYS  21          2HB       LYS  21  -1.264   8.015  -5.757
  173   2HB   LYS  21          1HB       LYS  21  -0.600   9.206  -6.887
  174   1HG   LYS  21          2HG       LYS  21  -2.512   8.810  -8.427
  175   2HG   LYS  21          1HG       LYS  21  -3.194   7.653  -7.271
  176   1HD   LYS  21          2HD       LYS  21  -3.384   9.469  -5.579
  177   2HD   LYS  21          1HD       LYS  21  -2.748  10.625  -6.761
  178   1HE   LYS  21          2HE       LYS  21  -5.342   9.030  -7.050
  179   2HE   LYS  21          1HE       LYS  21  -5.221  10.751  -6.623
  180   1HZ   LYS  21          2HZ       LYS  21  -4.145  11.157  -8.728
  181   2HZ   LYS  21          1HZ       LYS  21  -4.257   9.514  -9.137
  182   3HZ   LYS  21          3HZ       LYS  21  -5.668  10.444  -8.961
  183    H    CYS  22           H        CYS  22   1.118   5.347  -8.221
  184    HA   CYS  22           HA       CYS  22   3.589   6.327  -7.137
  185   1HB   CYS  22          2HB       CYS  22   2.487   5.637  -5.018
  186   2HB   CYS  22          1HB       CYS  22   2.219   4.017  -5.682
  187    H    SER  23           H        SER  23   5.294   4.557  -7.236
  188    HA   SER  23           HA       SER  23   4.808   2.598  -9.407
  189   1HB   SER  23          2HB       SER  23   6.912   4.820  -9.485
  190   2HB   SER  23          1HB       SER  23   6.761   3.506 -10.674
  191    HG   SER  23           HG       SER  23   4.605   4.303 -11.099
  192    H    GLY  24           H        GLY  24   7.040   1.608  -9.981
  193   1HA   GLY  24          2HA       GLY  24   9.165   0.756  -9.207
  194   2HA   GLY  24          1HA       GLY  24   8.606   0.945  -7.539
  195    H    ASP  25           H        ASP  25   9.685  -1.298  -7.962
  196    HA   ASP  25           HA       ASP  25   8.309  -3.452  -9.150
  197   1HB   ASP  25          2HB       ASP  25  10.213  -3.427  -6.761
  198   2HB   ASP  25          1HB       ASP  25   9.682  -4.892  -7.603
  199    H    ILE  26           H        ILE  26   8.276  -2.284  -5.812
  200    HA   ILE  26           HA       ILE  26   6.515  -4.224  -4.722
  201    HB   ILE  26           HB       ILE  26   6.868  -1.345  -3.817
  202   1HG1  ILE  26          2HG1      ILE  26   9.078  -2.358  -3.996
  203   2HG1  ILE  26          1HG1      ILE  26   8.634  -2.108  -2.310
  204   1HG2  ILE  26          1HG2      ILE  26   5.959  -3.835  -2.313
  205   2HG2  ILE  26          3HG2      ILE  26   6.272  -2.256  -1.570
  206   3HG2  ILE  26          2HG2      ILE  26   4.963  -2.429  -2.754
  207   1HD1  ILE  26          1HD1      ILE  26   8.522  -4.774  -3.799
  208   2HD1  ILE  26          3HD1      ILE  26   9.757  -4.285  -2.616
  209   3HD1  ILE  26          2HD1      ILE  26   8.076  -4.527  -2.092
  210    H    ALA  27           H        ALA  27   5.881  -0.941  -5.953
  211    HA   ALA  27           HA       ALA  27   3.126  -0.761  -5.497
  212   1HB   ALA  27          2HB       ALA  27   4.496   1.141  -6.271
  213   2HB   ALA  27          1HB       ALA  27   4.726   0.351  -7.849
  214   3HB   ALA  27          3HB       ALA  27   3.107   0.896  -7.353
  215    H    THR  28           H        THR  28   4.816  -2.048  -8.321
  216    HA   THR  28           HA       THR  28   2.602  -2.744  -9.935
  217    HB   THR  28           HB       THR  28   5.369  -4.017  -9.734
  218    HG1  THR  28           HG1      THR  28   5.793  -2.568 -11.480
  219   1HG2  THR  28          1HG2      THR  28   3.368  -4.131 -12.038
  220   2HG2  THR  28          3HG2      THR  28   5.036  -4.747 -12.073
  221   3HG2  THR  28          2HG2      THR  28   3.834  -5.500 -11.002
  222    H    TYR  29           H        TYR  29   4.430  -4.653  -7.577
  223    HA   TYR  29           HA       TYR  29   3.139  -7.138  -7.889
  224   1HB   TYR  29          2HB       TYR  29   5.258  -6.904  -6.721
  225   2HB   TYR  29          1HB       TYR  29   4.519  -5.893  -5.479
  226    HD1  TYR  29          1HD       TYR  29   2.717  -6.941  -3.963
  227    HD2  TYR  29          2HD       TYR  29   5.330  -9.248  -6.473
  228    HE1  TYR  29          1HE       TYR  29   2.206  -8.959  -2.639
  229    HE2  TYR  29          2HE       TYR  29   4.808 -11.270  -5.150
  230    HH   TYR  29           HH       TYR  29   2.488 -11.171  -2.436
  231    H    ILE  30           H        ILE  30   2.538  -4.624  -5.465
  232    HA   ILE  30           HA       ILE  30   0.347  -5.715  -4.117
  233    HB   ILE  30           HB       ILE  30   1.087  -2.827  -4.712
  234   1HG1  ILE  30          2HG1      ILE  30   1.532  -4.493  -2.214
  235   2HG1  ILE  30          1HG1      ILE  30   2.755  -4.232  -3.454
  236   1HG2  ILE  30          1HG2      ILE  30  -0.917  -3.847  -2.652
  237   2HG2  ILE  30          3HG2      ILE  30  -0.334  -2.171  -2.783
  238   3HG2  ILE  30          2HG2      ILE  30  -1.294  -2.878  -4.096
  239   1HD1  ILE  30          2HD1      ILE  30   2.675  -1.784  -3.025
  240   2HD1  ILE  30          1HD1      ILE  30   1.466  -2.051  -1.746
  241   3HD1  ILE  30          3HD1      ILE  30   3.109  -2.701  -1.566
  242    H    LYS  31           H        LYS  31   0.424  -3.713  -7.022
  243    HA   LYS  31           HA       LYS  31  -2.310  -3.226  -7.424
  244   1HB   LYS  31          2HB       LYS  31  -0.198  -2.391  -8.743
  245   2HB   LYS  31          1HB       LYS  31  -0.381  -3.868  -9.693
  246   1HG   LYS  31          2HG       LYS  31  -1.571  -2.411 -11.010
  247   2HG   LYS  31          1HG       LYS  31  -2.878  -3.013  -9.986
  248   1HD   LYS  31          2HD       LYS  31  -1.373  -0.384  -9.646
  249   2HD   LYS  31          1HD       LYS  31  -3.021  -0.575 -10.253
  250   1HE   LYS  31          2HE       LYS  31  -3.734  -1.429  -8.012
  251   2HE   LYS  31          1HE       LYS  31  -2.075  -1.175  -7.411
  252   1HZ   LYS  31          1HZ       LYS  31  -3.844   0.915  -8.535
  253   2HZ   LYS  31          3HZ       LYS  31  -3.499   0.679  -6.889
  254   3HZ   LYS  31          2HZ       LYS  31  -2.264   1.147  -7.954
  255    H    ARG  32           H        ARG  32  -0.307  -5.940  -8.494
  256    HA   ARG  32           HA       ARG  32  -2.315  -7.490  -9.770
  257   1HB   ARG  32          2HB       ARG  32   0.133  -7.881 -10.025
  258   2HB   ARG  32          1HB       ARG  32   0.209  -8.458  -8.352
  259   1HG   ARG  32          2HG       ARG  32  -1.395 -10.288  -8.926
  260   2HG   ARG  32          1HG       ARG  32  -1.384  -9.733 -10.611
  261   1HD   ARG  32          2HD       ARG  32   1.034 -10.242 -10.778
  262   2HD   ARG  32          1HD       ARG  32   1.046 -10.763  -9.073
  263    HE   ARG  32           HE       ARG  32  -0.972 -12.178 -10.508
  264   1HH1  ARG  32          2HH2      ARG  32   2.524 -11.961 -10.270
  265   2HH1  ARG  32          1HH2      ARG  32   2.770 -13.623 -10.695
  266   1HH2  ARG  32          2HH1      ARG  32  -0.629 -14.361 -11.017
  267   2HH2  ARG  32          1HH1      ARG  32   0.983 -14.982 -11.119
  268    H    GLU  33           H        GLU  33  -1.169  -7.452  -6.398
  269    HA   GLU  33           HA       GLU  33  -2.370  -9.786  -5.446
  270   1HB   GLU  33          2HB       GLU  33  -2.010  -7.183  -3.908
  271   2HB   GLU  33          1HB       GLU  33  -2.306  -8.774  -3.209
  272   1HG   GLU  33          2HG       GLU  33   0.190  -7.865  -4.685
  273   2HG   GLU  33          1HG       GLU  33   0.044  -8.253  -2.973
  274    H    CYS  34           H        CYS  34  -3.731  -6.500  -5.252
  275    HA   CYS  34           HA       CYS  34  -6.298  -7.296  -4.299
  276   1HB   CYS  34          2HB       CYS  34  -5.615  -5.004  -4.010
  277   2HB   CYS  34          1HB       CYS  34  -5.361  -4.790  -5.752
  278    H    GLY  35           H        GLY  35  -5.255  -6.303  -7.562
  279   1HA   GLY  35          2HA       GLY  35  -7.796  -6.648  -8.807
  280   2HA   GLY  35          1HA       GLY  35  -6.247  -6.472  -9.646
  281    H    LYS  36           H        LYS  36  -4.874  -8.409  -9.737
  282    HA   LYS  36           HA       LYS  36  -6.382 -10.792 -10.501
  283   1HB   LYS  36          2HB       LYS  36  -4.281  -9.756 -11.670
  284   2HB   LYS  36          1HB       LYS  36  -3.356 -10.574 -10.411
  285   1HG   LYS  36          2HG       LYS  36  -5.255 -11.917 -12.386
  286   2HG   LYS  36          1HG       LYS  36  -3.496 -11.888 -12.516
  287   1HD   LYS  36          2HD       LYS  36  -5.025 -13.220 -10.238
  288   2HD   LYS  36          1HD       LYS  36  -4.428 -14.054 -11.675
  289   1HE   LYS  36          2HE       LYS  36  -2.128 -13.592 -11.106
  290   2HE   LYS  36          1HE       LYS  36  -2.598 -12.539  -9.756
  291   1HZ   LYS  36          2HZ       LYS  36  -3.652 -14.440  -8.713
  292   2HZ   LYS  36          1HZ       LYS  36  -3.153 -15.439  -9.994
  293   3HZ   LYS  36          3HZ       LYS  36  -1.997 -14.714  -8.981
  294    H    LEU  37           H        LEU  37  -7.243 -11.120  -8.363
  295    HA   LEU  37           HA       LEU  37  -5.545 -11.844  -6.156
  296   1HB   LEU  37          2HB       LEU  37  -8.315 -11.269  -6.576
  297   2HB   LEU  37          1HB       LEU  37  -8.245 -12.883  -5.865
  298    HG   LEU  37           HG       LEU  37  -6.997 -10.350  -4.753
  299   1HD1  LEU  37          1HD1      LEU  37  -9.352 -11.978  -3.745
  300   2HD1  LEU  37          3HD1      LEU  37  -8.598 -10.606  -2.895
  301   3HD1  LEU  37          2HD1      LEU  37  -9.401 -10.351  -4.462
  302   1HD2  LEU  37          2HD2      LEU  37  -6.909 -13.170  -3.607
  303   2HD2  LEU  37          1HD2      LEU  37  -5.531 -12.221  -4.195
  304   3HD2  LEU  37          3HD2      LEU  37  -6.405 -11.698  -2.748
  305   1H    TRP   1          2H        TRP   1  -4.717   1.294  11.067
  306   2H    TRP   1          1H        TRP   1  -5.048   0.460   9.626
  307   3H    TRP   1          3H        TRP   1  -4.772   2.136   9.593
  308    HA   TRP   1           HA       TRP   1  -6.727   2.508  10.913
  309   1HB   TRP   1          2HB       TRP   1  -8.366   1.993   9.115
  310   2HB   TRP   1          1HB       TRP   1  -6.880   2.742   8.518
  311    HD1  TRP   1          1HD       TRP   1  -8.683  -0.790   8.553
  312    HE1  TRP   1          1HE       TRP   1  -7.763  -2.205   6.683
  313    HE3  TRP   1          3HE       TRP   1  -4.919   2.320   7.050
  314    HZ2  TRP   1          2HZ       TRP   1  -5.705  -1.993   4.739
  315    HZ3  TRP   1          3HZ       TRP   1  -3.494   1.659   5.139
  316    HH2  TRP   1          2HH       TRP   1  -3.894  -0.490   3.981
  317    H    SER   2           H        SER   2  -6.507  -0.878   9.888
  318    HA   SER   2           HA       SER   2  -8.582  -1.786  11.731
  319   1HB   SER   2          2HB       SER   2  -8.195  -2.794   9.474
  320   2HB   SER   2          1HB       SER   2  -6.582  -3.310   9.993
  321    HG   SER   2           HG       SER   2  -9.062  -4.134  11.160
  322    H    THR   3           H        THR   3  -7.939  -3.827  13.063
  323    HA   THR   3           HA       THR   3  -5.605  -3.287  14.762
  324    HB   THR   3           HB       THR   3  -7.702  -5.501  14.849
  325    HG1  THR   3           HG1      THR   3  -8.456  -4.215  16.633
  326   1HG2  THR   3          1HG2      THR   3  -5.608  -4.736  16.939
  327   2HG2  THR   3          3HG2      THR   3  -6.906  -5.934  17.155
  328   3HG2  THR   3          2HG2      THR   3  -5.609  -6.231  15.974
  329    H    ILE   4           H        ILE   4  -6.820  -6.196  13.125
  330    HA   ILE   4           HA       ILE   4  -4.199  -7.448  13.086
  331    HB   ILE   4           HB       ILE   4  -6.855  -8.311  11.896
  332   1HG1  ILE   4          2HG1      ILE   4  -7.080  -8.110  14.289
  333   2HG1  ILE   4          1HG1      ILE   4  -7.060  -9.816  13.835
  334   1HG2  ILE   4          1HG2      ILE   4  -4.328  -9.948  12.320
  335   2HG2  ILE   4          3HG2      ILE   4  -5.908 -10.601  11.833
  336   3HG2  ILE   4          2HG2      ILE   4  -5.041  -9.480  10.761
  337   1HD1  ILE   4          2HD1      ILE   4  -4.683  -9.987  14.558
  338   2HD1  ILE   4          1HD1      ILE   4  -4.706  -8.269  15.022
  339   3HD1  ILE   4          3HD1      ILE   4  -5.734  -9.435  15.881
  340    H    VAL   5           H        VAL   5  -6.526  -6.465  10.591
  341    HA   VAL   5           HA       VAL   5  -5.028  -7.128   8.310
  342    HB   VAL   5           HB       VAL   5  -7.014  -4.845   8.610
  343   1HG1  VAL   5          1HG1      VAL   5  -6.157  -6.349   6.115
  344   2HG1  VAL   5          3HG1      VAL   5  -7.469  -5.153   6.203
  345   3HG1  VAL   5          2HG1      VAL   5  -5.793  -4.653   6.507
  346   1HG2  VAL   5          2HG2      VAL   5  -7.546  -7.757   7.910
  347   2HG2  VAL   5          1HG2      VAL   5  -8.030  -6.922   9.405
  348   3HG2  VAL   5          3HG2      VAL   5  -8.743  -6.441   7.850
  349    H    LYS   6           H        LYS   6  -5.025  -4.204  10.243
  350    HA   LYS   6           HA       LYS   6  -3.501  -2.464   8.625
  351   1HB   LYS   6          2HB       LYS   6  -4.861  -1.930  10.646
  352   2HB   LYS   6          1HB       LYS   6  -3.616  -2.652  11.665
  353   1HG   LYS   6          2HG       LYS   6  -3.198  -0.251   9.837
  354   2HG   LYS   6          1HG       LYS   6  -3.611  -0.137  11.551
  355   1HD   LYS   6          2HD       LYS   6  -1.026  -1.236  10.368
  356   2HD   LYS   6          1HD       LYS   6  -1.267   0.275  11.245
  357   1HE   LYS   6          2HE       LYS   6  -1.824  -0.958  13.310
  358   2HE   LYS   6          1HE       LYS   6  -1.587  -2.502  12.460
  359   1HZ   LYS   6          2HZ       LYS   6   0.677  -1.843  11.993
  360   2HZ   LYS   6          1HZ       LYS   6   0.447  -0.380  12.823
  361   3HZ   LYS   6          3HZ       LYS   6   0.379  -1.854  13.665
  362    H    LEU   7           H        LEU   7  -2.473  -4.620  11.271
  363    HA   LEU   7           HA       LEU   7   0.315  -4.244  11.140
  364   1HB   LEU   7          2HB       LEU   7  -1.318  -6.711  11.885
  365   2HB   LEU   7          1HB       LEU   7   0.422  -6.569  12.146
  366    HG   LEU   7           HG       LEU   7  -1.600  -4.624  13.312
  367   1HD1  LEU   7          2HD1      LEU   7  -2.053  -6.871  14.222
  368   2HD1  LEU   7          1HD1      LEU   7  -0.335  -7.062  14.642
  369   3HD1  LEU   7          3HD1      LEU   7  -1.323  -5.833  15.467
  370   1HD2  LEU   7          1HD2      LEU   7   0.704  -3.735  13.146
  371   2HD2  LEU   7          3HD2      LEU   7   0.256  -4.009  14.842
  372   3HD2  LEU   7          2HD2      LEU   7   1.322  -5.158  14.006
  373    H    THR   8           H        THR   8  -1.766  -6.473   9.360
  374    HA   THR   8           HA       THR   8   0.253  -7.990   8.054
  375    HB   THR   8           HB       THR   8  -2.610  -7.408   7.169
  376    HG1  THR   8           HG1      THR   8  -2.422  -8.323   9.283
  377   1HG2  THR   8          1HG2      THR   8  -0.764  -9.729   6.454
  378   2HG2  THR   8          3HG2      THR   8  -2.477  -9.590   6.003
  379   3HG2  THR   8          2HG2      THR   8  -1.292  -8.437   5.349
  380    H    ILE   9           H        ILE   9  -1.511  -5.084   7.088
  381    HA   ILE   9           HA       ILE   9  -0.365  -5.033   4.416
  382    HB   ILE   9           HB       ILE   9  -2.716  -4.382   4.913
  383   1HG1  ILE   9          2HG1      ILE   9  -2.806  -2.355   3.489
  384   2HG1  ILE   9          1HG1      ILE   9  -1.054  -2.191   3.639
  385   1HG2  ILE   9          2HG2      ILE   9  -2.416  -3.199   7.024
  386   2HG2  ILE   9          1HG2      ILE   9  -1.499  -1.912   6.212
  387   3HG2  ILE   9          3HG2      ILE   9  -3.221  -2.154   5.844
  388   1HD1  ILE   9          2HD1      ILE   9  -0.756  -4.388   2.492
  389   2HD1  ILE   9          1HD1      ILE   9  -2.522  -4.543   2.355
  390   3HD1  ILE   9          3HD1      ILE   9  -1.670  -3.243   1.489
  391    H    CYS  10           H        CYS  10   0.458  -3.695   7.473
  392    HA   CYS  10           HA       CYS  10   1.729  -1.309   7.055
  393   1HB   CYS  10          2HB       CYS  10   2.223  -3.628   8.867
  394   2HB   CYS  10          1HB       CYS  10   3.544  -2.476   8.714
  395    HA   PRO  11           HA       PRO  11   5.971  -3.264   5.769
  396   1HB   PRO  11          2HB       PRO  11   5.977  -5.864   4.834
  397   2HB   PRO  11          1HB       PRO  11   6.228  -5.437   6.556
  398   1HG   PRO  11          1HG       PRO  11   3.637  -6.248   5.164
  399   2HG   PRO  11          2HG       PRO  11   4.355  -6.911   6.671
  400   1HD   PRO  11          1HD       PRO  11   2.440  -5.038   6.833
  401   2HD   PRO  11          2HD       PRO  11   3.871  -4.927   7.911
  402    H    THR  12           H        THR  12   3.181  -4.557   4.041
  403    HA   THR  12           HA       THR  12   4.157  -4.670   1.411
  404    HB   THR  12           HB       THR  12   1.343  -4.044   2.421
  405    HG1  THR  12           HG1      THR  12   1.109  -6.335   2.191
  406   1HG2  THR  12          1HG2      THR  12   2.201  -5.187  -0.269
  407   2HG2  THR  12          3HG2      THR  12   0.526  -5.028   0.311
  408   3HG2  THR  12          2HG2      THR  12   1.500  -3.573   0.006
  409    H    LEU  13           H        LEU  13   2.141  -2.106   2.829
  410    HA   LEU  13           HA       LEU  13   2.413  -0.288   0.651
  411   1HB   LEU  13          2HB       LEU  13   1.561   0.215   3.531
  412   2HB   LEU  13          1HB       LEU  13   1.406   1.371   2.195
  413    HG   LEU  13           HG       LEU  13   0.069  -1.347   2.265
  414   1HD1  LEU  13          1HD1      LEU  13  -1.086   1.424   2.823
  415   2HD1  LEU  13          3HD1      LEU  13  -2.034  -0.077   2.693
  416   3HD1  LEU  13          2HD1      LEU  13  -0.859   0.120   4.010
  417   1HD2  LEU  13          2HD2      LEU  13  -0.296   0.995   0.350
  418   2HD2  LEU  13          1HD2      LEU  13   0.471  -0.568  -0.030
  419   3HD2  LEU  13          3HD2      LEU  13  -1.260  -0.498   0.355
  420    H    LYS  14           H        LYS  14   4.210  -0.624   3.667
  421    HA   LYS  14           HA       LYS  14   5.648   1.803   3.625
  422   1HB   LYS  14          2HB       LYS  14   6.164  -0.931   4.784
  423   2HB   LYS  14          1HB       LYS  14   7.469   0.247   4.815
  424   1HG   LYS  14          2HG       LYS  14   4.696   0.604   6.029
  425   2HG   LYS  14          1HG       LYS  14   6.180   0.249   6.918
  426   1HD   LYS  14          2HD       LYS  14   5.480   2.820   5.436
  427   2HD   LYS  14          1HD       LYS  14   5.622   2.589   7.177
  428   1HE   LYS  14          2HE       LYS  14   7.626   3.714   6.557
  429   2HE   LYS  14          1HE       LYS  14   8.108   2.018   6.760
  430   1HZ   LYS  14          1HZ       LYS  14   7.448   3.346   4.194
  431   2HZ   LYS  14          3HZ       LYS  14   9.008   2.977   4.755
  432   3HZ   LYS  14          2HZ       LYS  14   7.923   1.728   4.379
  433    H    SER  15           H        SER  15   6.586  -1.346   2.297
  434    HA   SER  15           HA       SER  15   9.039  -0.604   1.123
  435   1HB   SER  15          2HB       SER  15   7.022  -2.730   0.263
  436   2HB   SER  15          1HB       SER  15   8.697  -2.615  -0.332
  437    HG   SER  15           HG       SER  15   7.922  -2.920   2.402
  438    H    MET  16           H        MET  16   5.756  -0.538  -0.168
  439    HA   MET  16           HA       MET  16   6.298   0.348  -2.805
  440   1HB   MET  16          2HB       MET  16   4.118  -0.561  -1.916
  441   2HB   MET  16          1HB       MET  16   3.863   0.974  -1.080
  442   1HG   MET  16          2HG       MET  16   3.867   2.170  -3.249
  443   2HG   MET  16          1HG       MET  16   4.144   0.638  -4.092
  444   1HE   MET  16          1HE       MET  16   1.627   2.888  -2.098
  445   2HE   MET  16          3HE       MET  16   0.254   1.791  -1.823
  446   3HE   MET  16          2HE       MET  16   1.794   1.512  -0.980
  447    H    ALA  17           H        ALA  17   5.756   2.080   0.192
  448    HA   ALA  17           HA       ALA  17   5.323   4.701  -0.717
  449   1HB   ALA  17          2HB       ALA  17   4.831   3.989   1.580
  450   2HB   ALA  17          1HB       ALA  17   6.566   3.766   1.905
  451   3HB   ALA  17          3HB       ALA  17   5.924   5.389   1.584
  452    H    LYS  18           H        LYS  18   8.288   2.919  -0.306
  453    HA   LYS  18           HA       LYS  18  10.234   4.910  -0.193
  454   1HB   LYS  18          2HB       LYS  18  10.324   2.297  -1.761
  455   2HB   LYS  18          1HB       LYS  18  11.732   3.295  -1.359
  456   1HG   LYS  18          2HG       LYS  18  11.184   2.976   1.087
  457   2HG   LYS  18          1HG       LYS  18   9.904   1.848   0.610
  458   1HD   LYS  18          2HD       LYS  18  12.875   1.513   0.004
  459   2HD   LYS  18          1HD       LYS  18  11.992   0.684   1.293
  460   1HE   LYS  18          2HE       LYS  18  10.611  -0.502  -0.363
  461   2HE   LYS  18          1HE       LYS  18  11.408   0.374  -1.692
  462   1HZ   LYS  18          1HZ       LYS  18  12.724  -1.428   0.257
  463   2HZ   LYS  18          3HZ       LYS  18  12.357  -1.800  -1.360
  464   3HZ   LYS  18          2HZ       LYS  18  13.496  -0.592  -1.005
  465    H    LYS  19           H        LYS  19   9.049   3.352  -3.201
  466    HA   LYS  19           HA       LYS  19   9.901   5.737  -4.741
  467   1HB   LYS  19          2HB       LYS  19  10.590   3.424  -5.459
  468   2HB   LYS  19          1HB       LYS  19   8.891   3.080  -5.810
  469   1HG   LYS  19          2HG       LYS  19   8.834   4.856  -7.509
  470   2HG   LYS  19          1HG       LYS  19  10.468   5.368  -7.077
  471   1HD   LYS  19          2HD       LYS  19   9.705   2.680  -8.292
  472   2HD   LYS  19          1HD       LYS  19  10.375   4.048  -9.185
  473   1HE   LYS  19          2HE       LYS  19  11.803   2.505  -6.961
  474   2HE   LYS  19          1HE       LYS  19  12.116   2.358  -8.703
  475   1HZ   LYS  19          1HZ       LYS  19  12.413   4.829  -7.097
  476   2HZ   LYS  19          3HZ       LYS  19  13.681   3.835  -7.637
  477   3HZ   LYS  19          2HZ       LYS  19  12.723   4.676  -8.760
  478    H    CYS  20           H        CYS  20   7.739   6.063  -3.007
  479    HA   CYS  20           HA       CYS  20   5.609   6.772  -4.978
  480   1HB   CYS  20          2HB       CYS  20   5.399   6.619  -1.940
  481   2HB   CYS  20          1HB       CYS  20   4.107   7.103  -3.043
  482    H    GLU  21           H        GLU  21   4.422   8.815  -4.112
  483    HA   GLU  21           HA       GLU  21   6.168  11.045  -4.440
  484   1HB   GLU  21          2HB       GLU  21   3.318  10.934  -3.352
  485   2HB   GLU  21          1HB       GLU  21   4.141  12.390  -3.919
  486   1HG   GLU  21          2HG       GLU  21   4.259  11.503  -6.202
  487   2HG   GLU  21          1HG       GLU  21   3.557   9.959  -5.678
  488    H    GLY  22           H        GLY  22   6.167  12.915  -2.928
  489   1HA   GLY  22          2HA       GLY  22   7.312  12.333  -0.398
  490   2HA   GLY  22          1HA       GLY  22   6.734  13.927  -0.917
  491    H    SER  23           H        SER  23   4.168  13.730  -1.238
  492    HA   SER  23           HA       SER  23   2.981  13.737   1.328
  493   1HB   SER  23          2HB       SER  23   2.132  15.043  -0.611
  494   2HB   SER  23          1HB       SER  23   1.628  13.529  -1.403
  495    HG   SER  23           HG       SER  23   0.685  14.484   1.122
  496    H    ILE  24           H        ILE  24   2.539  11.443  -1.359
  497    HA   ILE  24           HA       ILE  24   0.735   9.680  -0.181
  498    HB   ILE  24           HB       ILE  24   2.924   9.162  -2.213
  499   1HG1  ILE  24          2HG1      ILE  24   1.306  10.806  -2.981
  500   2HG1  ILE  24          1HG1      ILE  24   1.154   9.301  -3.896
  501   1HG2  ILE  24          1HG2      ILE  24   0.617   7.313  -1.519
  502   2HG2  ILE  24          3HG2      ILE  24   1.692   7.137  -2.924
  503   3HG2  ILE  24          2HG2      ILE  24   2.350   6.998  -1.280
  504   1HD1  ILE  24          2HD1      ILE  24  -0.848   8.683  -2.558
  505   2HD1  ILE  24          1HD1      ILE  24  -0.692  10.195  -1.632
  506   3HD1  ILE  24          3HD1      ILE  24  -1.061  10.250  -3.369
  507    H    ALA  25           H        ALA  25   4.273   9.449  -0.168
  508    HA   ALA  25           HA       ALA  25   4.596   7.044   1.228
  509   1HB   ALA  25          1HB       ALA  25   6.353   9.536   1.306
  510   2HB   ALA  25          3HB       ALA  25   6.849   7.911   1.833
  511   3HB   ALA  25          2HB       ALA  25   6.459   8.209   0.126
  512    H    THR  26           H        THR  26   4.361  10.340   2.523
  513    HA   THR  26           HA       THR  26   4.744   9.731   5.265
  514    HB   THR  26           HB       THR  26   3.164  12.032   4.038
  515    HG1  THR  26           HG1      THR  26   5.925  11.784   4.730
  516   1HG2  THR  26          1HG2      THR  26   4.538  11.814   6.759
  517   2HG2  THR  26          3HG2      THR  26   3.754  13.268   6.101
  518   3HG2  THR  26          2HG2      THR  26   2.779  11.832   6.490
  519    H    MET  27           H        MET  27   1.768  10.090   3.367
  520    HA   MET  27           HA       MET  27  -0.117   9.759   5.453
  521   1HB   MET  27          2HB       MET  27  -0.368   9.063   2.501
  522   2HB   MET  27          1HB       MET  27  -1.715   9.151   3.641
  523   1HG   MET  27          2HG       MET  27   0.063  11.462   2.761
  524   2HG   MET  27          1HG       MET  27  -1.614  11.183   2.293
  525   1HE   MET  27          1HE       MET  27   0.733  13.064   4.563
  526   2HE   MET  27          3HE       MET  27  -0.058  13.135   6.155
  527   3HE   MET  27          2HE       MET  27   0.669  11.616   5.594
  528    H    ILE  28           H        ILE  28   1.207   7.372   3.194
  529    HA   ILE  28           HA       ILE  28  -0.054   5.041   4.039
  530    HB   ILE  28           HB       ILE  28   2.768   5.555   3.045
  531   1HG1  ILE  28          2HG1      ILE  28   0.435   4.300   1.571
  532   2HG1  ILE  28          1HG1      ILE  28   0.795   6.027   1.515
  533   1HG2  ILE  28          1HG2      ILE  28   1.444   2.855   3.461
  534   2HG2  ILE  28          3HG2      ILE  28   2.954   3.120   2.549
  535   3HG2  ILE  28          2HG2      ILE  28   2.895   3.465   4.286
  536   1HD1  ILE  28          2HD1      ILE  28   3.056   5.503   0.569
  537   2HD1  ILE  28          1HD1      ILE  28   2.651   3.771   0.595
  538   3HD1  ILE  28          3HD1      ILE  28   1.748   4.881  -0.455
  539    H    LYS  29           H        LYS  29   2.973   6.433   5.251
  540    HA   LYS  29           HA       LYS  29   3.589   4.540   7.231
  541   1HB   LYS  29          2HB       LYS  29   5.142   6.304   6.426
  542   2HB   LYS  29          1HB       LYS  29   4.169   7.534   7.238
  543   1HG   LYS  29          2HG       LYS  29   6.163   6.989   8.559
  544   2HG   LYS  29          1HG       LYS  29   4.691   6.535   9.434
  545   1HD   LYS  29          2HD       LYS  29   5.013   4.179   8.849
  546   2HD   LYS  29          1HD       LYS  29   6.411   4.593   7.843
  547   1HE   LYS  29          2HE       LYS  29   6.254   4.993  10.871
  548   2HE   LYS  29          1HE       LYS  29   7.075   3.645  10.052
  549   1HZ   LYS  29          1HZ       LYS  29   7.703   6.520   9.724
  550   2HZ   LYS  29          3HZ       LYS  29   8.600   5.401  10.634
  551   3HZ   LYS  29          2HZ       LYS  29   8.493   5.233   8.948
  552    H    LYS  30           H        LYS  30   1.643   7.499   7.445
  553    HA   LYS  30           HA       LYS  30   1.169   7.600  10.202
  554   1HB   LYS  30          2HB       LYS  30   0.561   9.385   8.557
  555   2HB   LYS  30          1HB       LYS  30  -0.757   8.368   7.968
  556   1HG   LYS  30          2HG       LYS  30  -1.669  10.021   9.485
  557   2HG   LYS  30          1HG       LYS  30  -1.816   8.421  10.219
  558   1HD   LYS  30          2HD       LYS  30  -1.125   9.989  11.926
  559   2HD   LYS  30          1HD       LYS  30   0.232   8.904  11.595
  560   1HE   LYS  30          2HE       LYS  30   1.253  10.677  10.131
  561   2HE   LYS  30          1HE       LYS  30  -0.095  11.757  10.546
  562   1HZ   LYS  30          2HZ       LYS  30   0.515  11.575  12.856
  563   2HZ   LYS  30          1HZ       LYS  30   1.804  10.540  12.466
  564   3HZ   LYS  30          3HZ       LYS  30   1.819  12.152  11.934
  565    H    LYS  31           H        LYS  31  -0.669   5.924   7.682
  566    HA   LYS  31           HA       LYS  31  -2.772   4.893   9.261
  567   1HB   LYS  31          2HB       LYS  31  -1.507   3.633   6.791
  568   2HB   LYS  31          1HB       LYS  31  -3.099   3.253   7.452
  569   1HG   LYS  31          2HG       LYS  31  -2.221   5.905   6.240
  570   2HG   LYS  31          1HG       LYS  31  -3.299   4.722   5.506
  571   1HD   LYS  31          2HD       LYS  31  -3.893   6.318   8.034
  572   2HD   LYS  31          1HD       LYS  31  -4.510   6.684   6.420
  573   1HE   LYS  31          2HE       LYS  31  -5.119   4.143   8.001
  574   2HE   LYS  31          1HE       LYS  31  -6.210   5.529   7.804
  575   1HZ   LYS  31          1HZ       LYS  31  -5.127   3.858   5.612
  576   2HZ   LYS  31          3HZ       LYS  31  -6.704   3.777   6.238
  577   3HZ   LYS  31          2HZ       LYS  31  -6.179   5.179   5.432
  578    H    CYS  32           H        CYS  32   0.332   3.406   8.354
  579    HA   CYS  32           HA       CYS  32  -0.082   0.957   9.772
  580   1HB   CYS  32          2HB       CYS  32   1.508   1.014   7.963
  581   2HB   CYS  32          1HB       CYS  32   2.454   2.290   8.756
  582    H    ASP  33           H        ASP  33   2.405   3.399  10.511
  583    HA   ASP  33           HA       ASP  33   1.656   3.703  13.292
  584   1HB   ASP  33          2HB       ASP  33   2.676   1.413  13.317
  585   2HB   ASP  33          1HB       ASP  33   4.151   2.070  12.586
  586    H    LYS  34           H        LYS  34   3.161   4.990  14.488
  587    HA   LYS  34           HA       LYS  34   5.242   6.486  13.016
  588   1HB   LYS  34          2HB       LYS  34   2.832   7.691  14.439
  589   2HB   LYS  34          1HB       LYS  34   4.296   8.622  14.120
  590   1HG   LYS  34          2HG       LYS  34   2.621   7.288  11.954
  591   2HG   LYS  34          1HG       LYS  34   2.459   8.977  12.449
  592   1HD   LYS  34          2HD       LYS  34   4.862   9.358  11.824
  593   2HD   LYS  34          1HD       LYS  34   4.946   7.690  11.236
  594   1HE   LYS  34          2HE       LYS  34   3.190   8.183   9.557
  595   2HE   LYS  34          1HE       LYS  34   3.084   9.856  10.154
  596   1HZ   LYS  34          1HZ       LYS  34   5.491   8.570   9.007
  597   2HZ   LYS  34          3HZ       LYS  34   4.483   9.682   8.215
  598   3HZ   LYS  34          2HZ       LYS  34   5.384  10.167   9.570
   
  No H/Q in entry =         598
  Start of MODEL          19
 Raw file had  604 H/Q atoms
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   4.528 -11.784   5.873
    2   2H    GLY   1          3H        GLY   1   5.966 -12.602   6.265
    3   3H    GLY   1          2H        GLY   1   5.784 -11.886   4.735
    4   1HA   GLY   1          2HA       GLY   1   5.525 -14.266   4.607
    5   2HA   GLY   1          1HA       GLY   1   4.214 -14.159   5.796
    6    H    VAL   2           H        VAL   2   3.422 -15.366   3.739
    7    HA   VAL   2           HA       VAL   2   2.552 -13.883   1.454
    8    HB   VAL   2           HB       VAL   2   2.878 -16.346   1.595
    9   1HG1  VAL   2          2HG1      VAL   2   1.910 -16.845   3.765
   10   2HG1  VAL   2          1HG1      VAL   2   0.290 -16.384   3.187
   11   3HG1  VAL   2          3HG1      VAL   2   1.106 -17.809   2.506
   12   1HG2  VAL   2          1HG2      VAL   2   1.640 -15.452  -0.299
   13   2HG2  VAL   2          3HG2      VAL   2   0.988 -17.032   0.185
   14   3HG2  VAL   2          2HG2      VAL   2   0.113 -15.549   0.611
   15    H    ILE   3           H        ILE   3   0.281 -13.619   0.845
   16    HA   ILE   3           HA       ILE   3  -1.541 -12.914   3.084
   17    HB   ILE   3           HB       ILE   3  -0.816 -11.213   0.678
   18   1HG1  ILE   3          2HG1      ILE   3  -0.475 -10.691   3.655
   19   2HG1  ILE   3          1HG1      ILE   3   0.814 -11.114   2.522
   20   1HG2  ILE   3          2HG2      ILE   3  -3.240 -11.047   1.058
   21   2HG2  ILE   3          1HG2      ILE   3  -2.954 -10.694   2.778
   22   3HG2  ILE   3          3HG2      ILE   3  -2.445  -9.534   1.527
   23   1HD1  ILE   3          2HD1      ILE   3   0.447  -9.003   1.282
   24   2HD1  ILE   3          1HD1      ILE   3  -0.849  -8.556   2.421
   25   3HD1  ILE   3          3HD1      ILE   3   0.827  -8.701   2.992
   26    HA   PRO   4           HA       PRO   4  -4.214 -15.306   0.383
   27   1HB   PRO   4          2HB       PRO   4  -6.422 -15.379   1.940
   28   2HB   PRO   4          1HB       PRO   4  -4.897 -16.134   2.508
   29   1HG   PRO   4          1HG       PRO   4  -5.970 -13.343   3.125
   30   2HG   PRO   4          2HG       PRO   4  -5.454 -14.613   4.286
   31   1HD   PRO   4          1HD       PRO   4  -3.743 -12.632   3.472
   32   2HD   PRO   4          2HD       PRO   4  -3.163 -14.300   3.800
   33    H    LYS   5           H        LYS   5  -6.463 -15.183  -0.473
   34    HA   LYS   5           HA       LYS   5  -6.980 -12.936  -2.040
   35   1HB   LYS   5          2HB       LYS   5  -7.913 -15.139  -2.532
   36   2HB   LYS   5          1HB       LYS   5  -8.876 -15.111  -1.047
   37   1HG   LYS   5          2HG       LYS   5 -10.185 -13.187  -1.942
   38   2HG   LYS   5          1HG       LYS   5  -9.224 -13.233  -3.429
   39   1HD   LYS   5          2HD       LYS   5 -10.067 -15.490  -3.934
   40   2HD   LYS   5          1HD       LYS   5 -10.948 -15.531  -2.396
   41   1HE   LYS   5          2HE       LYS   5 -12.372 -13.633  -3.165
   42   2HE   LYS   5          1HE       LYS   5 -11.496 -13.614  -4.714
   43   1HZ   LYS   5          2HZ       LYS   5 -12.186 -15.877  -5.093
   44   2HZ   LYS   5          1HZ       LYS   5 -13.026 -15.899  -3.617
   45   3HZ   LYS   5          3HZ       LYS   5 -13.532 -14.865  -4.866
   46    H    LYS   6           H        LYS   6  -8.597 -13.921   0.960
   47    HA   LYS   6           HA       LYS   6 -10.553 -11.996   1.247
   48   1HB   LYS   6          2HB       LYS   6 -10.268 -13.945   2.721
   49   2HB   LYS   6          1HB       LYS   6  -8.796 -13.254   3.400
   50   1HG   LYS   6          2HG       LYS   6 -11.519 -11.919   3.660
   51   2HG   LYS   6          1HG       LYS   6 -10.912 -13.102   4.824
   52   1HD   LYS   6          2HD       LYS   6  -8.941 -11.595   5.257
   53   2HD   LYS   6          1HD       LYS   6  -9.672 -10.382   4.196
   54   1HE   LYS   6          2HE       LYS   6 -11.659 -10.261   5.668
   55   2HE   LYS   6          1HE       LYS   6 -10.886 -11.416   6.778
   56   1HZ   LYS   6          2HZ       LYS   6  -9.047  -9.890   7.016
   57   2HZ   LYS   6          1HZ       LYS   6  -9.789  -8.788   5.958
   58   3HZ   LYS   6          3HZ       LYS   6 -10.509  -9.144   7.455
   59    H    ILE   7           H        ILE   7  -7.269 -11.791   2.612
   60    HA   ILE   7           HA       ILE   7  -7.495  -9.188   3.679
   61    HB   ILE   7           HB       ILE   7  -5.065 -10.744   2.766
   62   1HG1  ILE   7          2HG1      ILE   7  -6.298 -11.855   4.551
   63   2HG1  ILE   7          1HG1      ILE   7  -4.731 -11.276   5.129
   64   1HG2  ILE   7          1HG2      ILE   7  -5.127  -8.202   4.445
   65   2HG2  ILE   7          3HG2      ILE   7  -3.698  -9.233   4.198
   66   3HG2  ILE   7          2HG2      ILE   7  -4.429  -8.384   2.819
   67   1HD1  ILE   7          1HD1      ILE   7  -7.426  -9.922   5.639
   68   2HD1  ILE   7          3HD1      ILE   7  -6.499 -10.886   6.809
   69   3HD1  ILE   7          2HD1      ILE   7  -5.851  -9.339   6.224
   70    H    TRP   8           H        TRP   8  -6.319 -10.242   0.495
   71    HA   TRP   8           HA       TRP   8  -5.526  -7.736  -0.493
   72   1HB   TRP   8          2HB       TRP   8  -6.624 -10.172  -1.951
   73   2HB   TRP   8          1HB       TRP   8  -6.031  -8.726  -2.793
   74    HD1  TRP   8          1HD       TRP   8  -4.678 -11.995  -2.187
   75    HE1  TRP   8          1HE       TRP   8  -2.183 -12.058  -1.835
   76    HE3  TRP   8          3HE       TRP   8  -3.914  -7.014  -1.230
   77    HZ2  TRP   8          2HZ       TRP   8  -0.132 -10.215  -1.214
   78    HZ3  TRP   8          3HZ       TRP   8  -1.631  -6.225  -0.762
   79    HH2  TRP   8          2HH       TRP   8   0.261  -7.816  -0.764
   80    H    GLU   9           H        GLU   9  -8.753  -9.182  -0.465
   81    HA   GLU   9           HA       GLU   9 -10.079  -7.118  -1.925
   82   1HB   GLU   9          2HB       GLU   9 -11.342  -8.782   0.287
   83   2HB   GLU   9          1HB       GLU   9 -12.146  -8.003  -1.078
   84   1HG   GLU   9          2HG       GLU   9 -10.464 -10.520  -1.060
   85   2HG   GLU   9          1HG       GLU   9 -12.114 -10.288  -1.644
   86    H    THR  10           H        THR  10  -9.487  -7.617   1.516
   87    HA   THR  10           HA       THR  10 -11.017  -5.492   2.578
   88    HB   THR  10           HB       THR  10  -8.468  -6.768   3.677
   89    HG1  THR  10           HG1      THR  10 -10.193  -8.247   3.220
   90   1HG2  THR  10          1HG2      THR  10 -10.707  -5.294   5.140
   91   2HG2  THR  10          3HG2      THR  10  -9.332  -6.128   5.902
   92   3HG2  THR  10          2HG2      THR  10  -9.053  -4.690   4.892
   93    H    VAL  11           H        VAL  11  -7.604  -5.637   1.649
   94    HA   VAL  11           HA       VAL  11  -6.975  -2.969   2.506
   95    HB   VAL  11           HB       VAL  11  -4.814  -3.296   1.473
   96   1HG1  VAL  11          1HG1      VAL  11  -5.735  -5.725   3.047
   97   2HG1  VAL  11          3HG1      VAL  11  -4.043  -5.266   2.767
   98   3HG1  VAL  11          2HG1      VAL  11  -5.110  -4.199   3.700
   99   1HG2  VAL  11          2HG2      VAL  11  -5.880  -5.896   0.342
  100   2HG2  VAL  11          1HG2      VAL  11  -5.382  -4.463  -0.585
  101   3HG2  VAL  11          3HG2      VAL  11  -4.176  -5.389   0.334
  102    H    CYS  12           H        CYS  12  -7.970  -4.344  -0.536
  103    HA   CYS  12           HA       CYS  12  -7.192  -2.917  -2.585
  104   1HB   CYS  12          2HB       CYS  12  -9.971  -3.745  -1.844
  105   2HB   CYS  12          1HB       CYS  12  -9.771  -2.721  -3.259
  106    HA   PRO  13           HA       PRO  13  -9.886   1.037  -2.267
  107   1HB   PRO  13          2HB       PRO  13 -11.137   1.672   0.102
  108   2HB   PRO  13          1HB       PRO  13 -11.890   0.636  -1.154
  109   1HG   PRO  13          1HG       PRO  13 -10.342  -0.224   1.334
  110   2HG   PRO  13          2HG       PRO  13 -11.955  -0.774   0.769
  111   1HD   PRO  13          1HD       PRO  13  -9.757  -2.232   0.204
  112   2HD   PRO  13          2HD       PRO  13 -11.035  -2.017  -1.036
  113    H    THR  14           H        THR  14  -8.538   0.298   0.929
  114    HA   THR  14           HA       THR  14  -7.609   2.882   1.621
  115    HB   THR  14           HB       THR  14  -6.528   0.169   2.489
  116    HG1  THR  14           HG1      THR  14  -8.077   0.423   4.187
  117   1HG2  THR  14          1HG2      THR  14  -6.467   2.873   3.912
  118   2HG2  THR  14          3HG2      THR  14  -5.927   1.328   4.605
  119   3HG2  THR  14          2HG2      THR  14  -5.065   2.027   3.216
  120    H    VAL  15           H        VAL  15  -5.953   0.144   0.120
  121    HA   VAL  15           HA       VAL  15  -3.405   1.456  -0.132
  122    HB   VAL  15           HB       VAL  15  -2.672  -0.491  -1.327
  123   1HG1  VAL  15          2HG1      VAL  15  -2.778  -0.643   1.105
  124   2HG1  VAL  15          1HG1      VAL  15  -4.450  -1.237   1.023
  125   3HG1  VAL  15          3HG1      VAL  15  -3.122  -2.231   0.373
  126   1HG2  VAL  15          1HG2      VAL  15  -4.575  -0.945  -2.797
  127   2HG2  VAL  15          3HG2      VAL  15  -4.142  -2.398  -1.873
  128   3HG2  VAL  15          2HG2      VAL  15  -5.559  -1.439  -1.404
  129    H    GLU  16           H        GLU  16  -6.198   1.193  -2.142
  130    HA   GLU  16           HA       GLU  16  -5.378   1.361  -4.732
  131   1HB   GLU  16          2HB       GLU  16  -7.718   1.258  -4.087
  132   2HB   GLU  16          1HB       GLU  16  -7.657   2.890  -3.421
  133   1HG   GLU  16          2HG       GLU  16  -7.244   3.791  -5.711
  134   2HG   GLU  16          1HG       GLU  16  -7.320   2.140  -6.360
  135    HA   PRO  17           HA       PRO  17  -4.992   6.212  -4.735
  136   1HB   PRO  17          2HB       PRO  17  -4.355   7.411  -2.320
  137   2HB   PRO  17          1HB       PRO  17  -6.030   7.230  -2.933
  138   1HG   PRO  17          1HG       PRO  17  -4.504   5.409  -1.017
  139   2HG   PRO  17          2HG       PRO  17  -6.142   6.120  -0.824
  140   1HD   PRO  17          1HD       PRO  17  -5.908   3.615  -1.723
  141   2HD   PRO  17          2HD       PRO  17  -7.072   4.720  -2.527
  142    H    TRP  18           H        TRP  18  -3.054   4.587  -2.227
  143    HA   TRP  18           HA       TRP  18  -0.632   6.018  -2.731
  144   1HB   TRP  18          2HB       TRP  18  -0.879   3.249  -1.488
  145   2HB   TRP  18          1HB       TRP  18   0.475   4.383  -1.320
  146    HD1  TRP  18          1HD       TRP  18  -1.190   7.130  -0.606
  147    HE1  TRP  18          1HE       TRP  18  -2.349   7.361   1.611
  148    HE3  TRP  18          3HE       TRP  18  -1.544   2.168   0.562
  149    HZ2  TRP  18          2HZ       TRP  18  -3.261   5.635   3.663
  150    HZ3  TRP  18          3HZ       TRP  18  -2.584   1.510   2.704
  151    HH2  TRP  18          2HH       TRP  18  -3.425   3.231   4.257
  152    H    ALA  19           H        ALA  19  -1.411   2.628  -3.445
  153    HA   ALA  19           HA       ALA  19   0.794   1.939  -4.987
  154   1HB   ALA  19          2HB       ALA  19  -0.860   0.308  -4.158
  155   2HB   ALA  19          1HB       ALA  19  -2.084   0.955  -5.275
  156   3HB   ALA  19          3HB       ALA  19  -0.640   0.131  -5.912
  157    H    LYS  20           H        LYS  20  -2.281   3.284  -6.090
  158    HA   LYS  20           HA       LYS  20  -1.892   3.454  -8.854
  159   1HB   LYS  20          2HB       LYS  20  -4.015   4.019  -7.827
  160   2HB   LYS  20          1HB       LYS  20  -3.285   5.329  -6.894
  161   1HG   LYS  20          2HG       LYS  20  -2.822   6.549  -9.038
  162   2HG   LYS  20          1HG       LYS  20  -3.656   5.257  -9.919
  163   1HD   LYS  20          2HD       LYS  20  -5.752   5.753  -8.745
  164   2HD   LYS  20          1HD       LYS  20  -4.938   6.956  -7.729
  165   1HE   LYS  20          2HE       LYS  20  -5.259   7.151 -10.765
  166   2HE   LYS  20          1HE       LYS  20  -6.248   8.015  -9.565
  167   1HZ   LYS  20          2HZ       LYS  20  -4.253   9.069  -8.741
  168   2HZ   LYS  20          1HZ       LYS  20  -3.311   8.243  -9.884
  169   3HZ   LYS  20          3HZ       LYS  20  -4.461   9.384 -10.398
  170    H    LYS  21           H        LYS  21  -1.217   5.964  -6.437
  171    HA   LYS  21           HA       LYS  21   0.430   7.506  -8.314
  172   1HB   LYS  21          2HB       LYS  21  -0.398   8.045  -5.430
  173   2HB   LYS  21          1HB       LYS  21   0.467   9.183  -6.478
  174   1HG   LYS  21          2HG       LYS  21  -1.444   9.232  -8.039
  175   2HG   LYS  21          1HG       LYS  21  -2.314   8.052  -7.043
  176   1HD   LYS  21          2HD       LYS  21  -2.328   9.670  -5.151
  177   2HD   LYS  21          1HD       LYS  21  -1.491  10.857  -6.166
  178   1HE   LYS  21          2HE       LYS  21  -4.254   9.684  -6.747
  179   2HE   LYS  21          1HE       LYS  21  -3.943  11.286  -6.046
  180   1HZ   LYS  21          1HZ       LYS  21  -3.012  10.343  -8.695
  181   2HZ   LYS  21          3HZ       LYS  21  -4.309  11.404  -8.414
  182   3HZ   LYS  21          2HZ       LYS  21  -2.723  11.877  -8.025
  183    H    CYS  22           H        CYS  22   1.731   5.314  -8.144
  184    HA   CYS  22           HA       CYS  22   4.211   5.897  -6.760
  185   1HB   CYS  22          2HB       CYS  22   2.684   4.847  -4.987
  186   2HB   CYS  22          1HB       CYS  22   2.719   3.356  -5.943
  187    H    SER  23           H        SER  23   5.684   3.834  -6.987
  188    HA   SER  23           HA       SER  23   5.227   2.304  -9.446
  189   1HB   SER  23          2HB       SER  23   7.236   3.242 -10.577
  190   2HB   SER  23          1HB       SER  23   6.012   4.496 -10.292
  191    HG   SER  23           HG       SER  23   7.225   5.072  -8.374
  192    H    GLY  24           H        GLY  24   7.423   1.246 -10.068
  193   1HA   GLY  24          2HA       GLY  24   9.262  -0.088  -9.500
  194   2HA   GLY  24          1HA       GLY  24   9.084   0.403  -7.812
  195    H    ASP  25           H        ASP  25   9.608  -1.917  -7.660
  196    HA   ASP  25           HA       ASP  25   8.092  -4.048  -8.648
  197   1HB   ASP  25          2HB       ASP  25   9.704  -3.904  -6.054
  198   2HB   ASP  25          1HB       ASP  25   9.206  -5.394  -6.880
  199    H    ILE  26           H        ILE  26   7.916  -2.605  -5.397
  200    HA   ILE  26           HA       ILE  26   5.873  -4.390  -4.472
  201    HB   ILE  26           HB       ILE  26   6.699  -1.712  -3.310
  202   1HG1  ILE  26          2HG1      ILE  26   8.678  -3.135  -3.558
  203   2HG1  ILE  26          1HG1      ILE  26   8.236  -2.969  -1.858
  204   1HG2  ILE  26          2HG2      ILE  26   4.587  -2.539  -2.365
  205   2HG2  ILE  26          1HG2      ILE  26   5.336  -4.107  -2.007
  206   3HG2  ILE  26          3HG2      ILE  26   5.899  -2.641  -1.170
  207   1HD1  ILE  26          2HD1      ILE  26   7.202  -5.234  -1.901
  208   2HD1  ILE  26          1HD1      ILE  26   7.644  -5.395  -3.618
  209   3HD1  ILE  26          3HD1      ILE  26   8.913  -5.284  -2.379
  210    H    ALA  27           H        ALA  27   5.773  -1.022  -5.610
  211    HA   ALA  27           HA       ALA  27   3.058  -0.442  -5.202
  212   1HB   ALA  27          2HB       ALA  27   4.701   1.235  -5.994
  213   2HB   ALA  27          1HB       ALA  27   4.821   0.388  -7.553
  214   3HB   ALA  27          3HB       ALA  27   3.295   1.168  -7.081
  215    H    THR  28           H        THR  28   4.613  -1.886  -8.025
  216    HA   THR  28           HA       THR  28   2.337  -2.420  -9.607
  217    HB   THR  28           HB       THR  28   5.011  -3.878  -9.448
  218    HG1  THR  28           HG1      THR  28   5.482  -2.478 -11.225
  219   1HG2  THR  28          1HG2      THR  28   2.958  -3.893 -11.709
  220   2HG2  THR  28          3HG2      THR  28   4.584  -4.612 -11.771
  221   3HG2  THR  28          2HG2      THR  28   3.361  -5.277 -10.665
  222    H    TYR  29           H        TYR  29   3.934  -4.358  -7.112
  223    HA   TYR  29           HA       TYR  29   2.554  -6.799  -7.510
  224   1HB   TYR  29          2HB       TYR  29   4.585  -6.697  -6.156
  225   2HB   TYR  29          1HB       TYR  29   3.795  -5.645  -4.976
  226    HD1  TYR  29          1HD       TYR  29   3.225  -8.979  -6.640
  227    HD2  TYR  29          2HD       TYR  29   2.980  -6.653  -3.040
  228    HE1  TYR  29          1HE       TYR  29   2.361 -10.948  -5.425
  229    HE2  TYR  29          2HE       TYR  29   2.117  -8.625  -1.826
  230    HH   TYR  29           HH       TYR  29   1.520 -10.782  -1.958
  231    H    ILE  30           H        ILE  30   1.988  -4.341  -5.000
  232    HA   ILE  30           HA       ILE  30  -0.327  -5.340  -3.826
  233    HB   ILE  30           HB       ILE  30   0.548  -2.463  -4.302
  234   1HG1  ILE  30          2HG1      ILE  30   0.857  -4.154  -1.794
  235   2HG1  ILE  30          1HG1      ILE  30   2.116  -4.008  -3.024
  236   1HG2  ILE  30          1HG2      ILE  30  -1.544  -3.487  -2.334
  237   2HG2  ILE  30          3HG2      ILE  30  -0.905  -1.828  -2.389
  238   3HG2  ILE  30          2HG2      ILE  30  -1.846  -2.459  -3.753
  239   1HD1  ILE  30          1HD1      ILE  30   0.947  -1.690  -1.413
  240   2HD1  ILE  30          3HD1      ILE  30   2.534  -2.445  -1.153
  241   3HD1  ILE  30          2HD1      ILE  30   2.212  -1.565  -2.659
  242    H    LYS  31           H        LYS  31  -0.049  -3.117  -6.560
  243    HA   LYS  31           HA       LYS  31  -2.756  -2.636  -7.124
  244   1HB   LYS  31          2HB       LYS  31  -0.720  -1.492  -8.128
  245   2HB   LYS  31          1HB       LYS  31  -0.488  -2.913  -9.148
  246   1HG   LYS  31          2HG       LYS  31  -1.621  -1.190 -10.429
  247   2HG   LYS  31          1HG       LYS  31  -2.727  -2.544 -10.173
  248   1HD   LYS  31          2HD       LYS  31  -3.907  -0.419  -9.882
  249   2HD   LYS  31          1HD       LYS  31  -3.852  -1.294  -8.346
  250   1HE   LYS  31          2HE       LYS  31  -1.945   0.158  -7.612
  251   2HE   LYS  31          1HE       LYS  31  -2.052   1.048  -9.146
  252   1HZ   LYS  31          2HZ       LYS  31  -4.312   1.641  -8.594
  253   2HZ   LYS  31          1HZ       LYS  31  -4.206   0.791  -7.128
  254   3HZ   LYS  31          3HZ       LYS  31  -3.240   2.164  -7.387
  255    H    ARG  32           H        ARG  32  -0.621  -5.218  -8.245
  256    HA   ARG  32           HA       ARG  32  -2.405  -6.514 -10.043
  257   1HB   ARG  32          2HB       ARG  32   0.042  -6.868 -10.055
  258   2HB   ARG  32          1HB       ARG  32  -0.051  -7.657  -8.473
  259   1HG   ARG  32          2HG       ARG  32  -1.505  -9.427  -9.458
  260   2HG   ARG  32          1HG       ARG  32  -1.332  -8.664 -11.049
  261   1HD   ARG  32          2HD       ARG  32   1.132  -9.051 -10.946
  262   2HD   ARG  32          1HD       ARG  32   0.930  -9.833  -9.358
  263    HE   ARG  32           HE       ARG  32  -0.774 -11.047 -11.334
  264   1HH1  ARG  32          2HH2      ARG  32   2.566 -10.867 -10.263
  265   2HH1  ARG  32          1HH2      ARG  32   2.963 -12.447 -10.855
  266   1HH2  ARG  32          2HH1      ARG  32  -0.243 -13.116 -12.086
  267   2HH2  ARG  32          1HH1      ARG  32   1.369 -13.720 -11.887
  268    H    GLU  33           H        GLU  33  -1.641  -7.163  -6.621
  269    HA   GLU  33           HA       GLU  33  -3.066  -9.581  -6.347
  270   1HB   GLU  33          2HB       GLU  33  -2.488  -7.474  -4.219
  271   2HB   GLU  33          1HB       GLU  33  -2.981  -9.148  -3.923
  272   1HG   GLU  33          2HG       GLU  33  -0.389  -8.281  -5.278
  273   2HG   GLU  33          1HG       GLU  33  -0.540  -8.870  -3.623
  274    H    CYS  34           H        CYS  34  -4.072  -6.290  -5.441
  275    HA   CYS  34           HA       CYS  34  -6.753  -6.921  -4.730
  276   1HB   CYS  34          2HB       CYS  34  -5.805  -4.821  -4.007
  277   2HB   CYS  34          1HB       CYS  34  -5.463  -4.327  -5.679
  278    H    GLY  35           H        GLY  35  -5.516  -5.368  -7.683
  279   1HA   GLY  35          2HA       GLY  35  -8.018  -5.235  -9.036
  280   2HA   GLY  35          1HA       GLY  35  -6.427  -5.009  -9.778
  281    H    LYS  36           H        LYS  36  -5.177  -7.057 -10.119
  282    HA   LYS  36           HA       LYS  36  -6.744  -9.021 -11.572
  283   1HB   LYS  36          2HB       LYS  36  -4.387  -8.122 -12.143
  284   2HB   LYS  36          1HB       LYS  36  -3.781  -9.208 -10.902
  285   1HG   LYS  36          2HG       LYS  36  -5.438 -10.082 -13.306
  286   2HG   LYS  36          1HG       LYS  36  -3.680 -10.071 -13.286
  287   1HD   LYS  36          2HD       LYS  36  -5.304 -11.749 -11.334
  288   2HD   LYS  36          1HD       LYS  36  -4.872 -12.311 -12.943
  289   1HE   LYS  36          2HE       LYS  36  -3.280 -13.210 -11.349
  290   2HE   LYS  36          1HE       LYS  36  -2.449 -12.039 -12.391
  291   1HZ   LYS  36          2HZ       LYS  36  -2.687 -10.396 -10.657
  292   2HZ   LYS  36          1HZ       LYS  36  -3.471 -11.527  -9.660
  293   3HZ   LYS  36          3HZ       LYS  36  -1.848 -11.760 -10.098
  294    H    LEU  37           H        LEU  37  -8.069  -9.737  -9.872
  295    HA   LEU  37           HA       LEU  37  -7.024 -11.086  -7.536
  296   1HB   LEU  37          2HB       LEU  37  -9.260  -9.846  -7.801
  297   2HB   LEU  37          1HB       LEU  37  -9.852 -11.277  -8.640
  298    HG   LEU  37           HG       LEU  37  -8.844 -11.120  -5.778
  299   1HD1  LEU  37          2HD1      LEU  37 -11.043 -10.100  -6.083
  300   2HD1  LEU  37          1HD1      LEU  37 -11.643 -11.568  -6.884
  301   3HD1  LEU  37          3HD1      LEU  37 -11.194 -11.614  -5.163
  302   1HD2  LEU  37          2HD2      LEU  37  -9.925 -13.569  -7.228
  303   2HD2  LEU  37          1HD2      LEU  37  -8.258 -13.331  -6.647
  304   3HD2  LEU  37          3HD2      LEU  37  -9.588 -13.460  -5.488
  305   1H    TRP   1          1H        TRP   1  -7.251  -0.018   9.484
  306   2H    TRP   1          3H        TRP   1  -7.887  -0.285   7.932
  307   3H    TRP   1          2H        TRP   1  -8.933  -0.111   9.261
  308    HA   TRP   1           HA       TRP   1  -8.760  -2.405   8.604
  309   1HB   TRP   1          2HB       TRP   1  -5.799  -1.857   9.093
  310   2HB   TRP   1          1HB       TRP   1  -6.470  -3.500   9.004
  311    HD1  TRP   1          1HD       TRP   1  -8.213  -3.714   6.524
  312    HE1  TRP   1          1HE       TRP   1  -7.459  -3.202   4.172
  313    HE3  TRP   1          3HE       TRP   1  -4.280  -0.657   7.670
  314    HZ2  TRP   1          2HZ       TRP   1  -5.403  -1.663   2.946
  315    HZ3  TRP   1          3HZ       TRP   1  -2.938   0.320   5.834
  316    HH2  TRP   1          2HH       TRP   1  -3.505  -0.188   3.477
  317    H    SER   2           H        SER   2  -8.384  -4.204  10.084
  318    HA   SER   2           HA       SER   2  -9.109  -3.638  12.807
  319   1HB   SER   2          2HB       SER   2  -9.756  -5.698  11.479
  320   2HB   SER   2          1HB       SER   2  -8.063  -6.232  11.570
  321    HG   SER   2           HG       SER   2  -9.369  -7.150  13.249
  322    H    THR   3           H        THR   3  -7.812  -4.844  14.593
  323    HA   THR   3           HA       THR   3  -5.305  -3.640  15.029
  324    HB   THR   3           HB       THR   3  -6.425  -6.215  16.228
  325    HG1  THR   3           HG1      THR   3  -6.593  -3.489  17.066
  326   1HG2  THR   3          1HG2      THR   3  -4.286  -4.332  17.329
  327   2HG2  THR   3          3HG2      THR   3  -4.989  -5.726  18.183
  328   3HG2  THR   3          2HG2      THR   3  -4.003  -5.981  16.726
  329    H    ILE   4           H        ILE   4  -6.033  -7.001  14.142
  330    HA   ILE   4           HA       ILE   4  -3.309  -7.784  13.693
  331    HB   ILE   4           HB       ILE   4  -5.924  -9.059  12.806
  332   1HG1  ILE   4          2HG1      ILE   4  -4.174  -9.644  15.226
  333   2HG1  ILE   4          1HG1      ILE   4  -5.719  -8.786  15.261
  334   1HG2  ILE   4          2HG2      ILE   4  -4.066  -9.903  11.435
  335   2HG2  ILE   4          1HG2      ILE   4  -3.127 -10.267  12.901
  336   3HG2  ILE   4          3HG2      ILE   4  -4.625 -11.161  12.553
  337   1HD1  ILE   4          2HD1      ILE   4  -6.881 -10.826  14.446
  338   2HD1  ILE   4          1HD1      ILE   4  -5.329 -11.699  14.437
  339   3HD1  ILE   4          3HD1      ILE   4  -6.012 -11.121  15.969
  340    H    VAL   5           H        VAL   5  -6.008  -7.114  11.480
  341    HA   VAL   5           HA       VAL   5  -4.769  -7.722   9.049
  342    HB   VAL   5           HB       VAL   5  -6.938  -5.670   9.625
  343   1HG1  VAL   5          1HG1      VAL   5  -6.217  -6.999   6.978
  344   2HG1  VAL   5          3HG1      VAL   5  -7.640  -5.973   7.269
  345   3HG1  VAL   5          2HG1      VAL   5  -6.009  -5.281   7.380
  346   1HG2  VAL   5          1HG2      VAL   5  -7.548  -7.918  10.422
  347   2HG2  VAL   5          3HG2      VAL   5  -8.516  -7.476   8.997
  348   3HG2  VAL   5          2HG2      VAL   5  -7.152  -8.604   8.830
  349    H    LYS   6           H        LYS   6  -4.977  -4.579  10.661
  350    HA   LYS   6           HA       LYS   6  -3.723  -2.917   8.804
  351   1HB   LYS   6          2HB       LYS   6  -4.846  -2.169  10.883
  352   2HB   LYS   6          1HB       LYS   6  -3.533  -2.852  11.849
  353   1HG   LYS   6          2HG       LYS   6  -1.945  -1.242  10.805
  354   2HG   LYS   6          1HG       LYS   6  -3.278  -0.554   9.860
  355   1HD   LYS   6          2HD       LYS   6  -3.132  -0.617  12.904
  356   2HD   LYS   6          1HD       LYS   6  -2.727   0.786  11.906
  357   1HE   LYS   6          2HE       LYS   6  -5.078   0.848  11.063
  358   2HE   LYS   6          1HE       LYS   6  -5.478  -0.512  12.142
  359   1HZ   LYS   6          1HZ       LYS   6  -4.394   2.114  12.985
  360   2HZ   LYS   6          3HZ       LYS   6  -6.006   1.603  13.144
  361   3HZ   LYS   6          2HZ       LYS   6  -4.776   0.817  14.011
  362    H    LEU   7           H        LEU   7  -2.236  -4.746  11.454
  363    HA   LEU   7           HA       LEU   7   0.469  -4.046  10.980
  364   1HB   LEU   7          2HB       LEU   7  -0.715  -6.538  12.273
  365   2HB   LEU   7          1HB       LEU   7   0.986  -6.068  12.361
  366    HG   LEU   7           HG       LEU   7  -1.329  -4.385  13.392
  367   1HD1  LEU   7          2HD1      LEU   7  -1.129  -6.436  14.720
  368   2HD1  LEU   7          1HD1      LEU   7   0.612  -6.144  14.946
  369   3HD1  LEU   7          3HD1      LEU   7  -0.578  -5.035  15.663
  370   1HD2  LEU   7          2HD2      LEU   7   1.670  -4.030  13.757
  371   2HD2  LEU   7          1HD2      LEU   7   0.593  -2.997  12.786
  372   3HD2  LEU   7          3HD2      LEU   7   0.407  -3.061  14.551
  373    H    THR   8           H        THR   8  -1.505  -6.654   9.668
  374    HA   THR   8           HA       THR   8   0.527  -8.230   8.483
  375    HB   THR   8           HB       THR   8  -2.351  -7.799   7.560
  376    HG1  THR   8           HG1      THR   8  -2.121  -8.552   9.729
  377   1HG2  THR   8          1HG2      THR   8  -0.461 -10.126   6.986
  378   2HG2  THR   8          3HG2      THR   8  -2.180 -10.041   6.538
  379   3HG2  THR   8          2HG2      THR   8  -1.016  -8.921   5.798
  380    H    ILE   9           H        ILE   9  -1.472  -5.647   7.098
  381    HA   ILE   9           HA       ILE   9  -0.146  -5.715   4.536
  382    HB   ILE   9           HB       ILE   9  -2.514  -5.185   4.746
  383   1HG1  ILE   9          2HG1      ILE   9  -2.641  -3.220   3.258
  384   2HG1  ILE   9          1HG1      ILE   9  -0.947  -2.856   3.599
  385   1HG2  ILE   9          2HG2      ILE   9  -2.556  -3.960   6.856
  386   2HG2  ILE   9          1HG2      ILE   9  -1.664  -2.609   6.123
  387   3HG2  ILE   9          3HG2      ILE   9  -3.307  -3.005   5.564
  388   1HD1  ILE   9          1HD1      ILE   9  -1.965  -5.393   2.235
  389   2HD1  ILE   9          3HD1      ILE   9  -1.199  -4.007   1.425
  390   3HD1  ILE   9          2HD1      ILE   9  -0.259  -5.003   2.557
  391    H    CYS  10           H        CYS  10   0.316  -3.898   7.456
  392    HA   CYS  10           HA       CYS  10   1.427  -1.506   6.838
  393   1HB   CYS  10          2HB       CYS  10   2.117  -3.547   8.926
  394   2HB   CYS  10          1HB       CYS  10   3.205  -2.180   8.730
  395    HA   PRO  11           HA       PRO  11   5.985  -3.025   6.378
  396   1HB   PRO  11          2HB       PRO  11   6.439  -5.653   5.629
  397   2HB   PRO  11          1HB       PRO  11   6.357  -5.105   7.334
  398   1HG   PRO  11          1HG       PRO  11   4.135  -6.300   5.619
  399   2HG   PRO  11          2HG       PRO  11   4.665  -6.784   7.266
  400   1HD   PRO  11          1HD       PRO  11   2.555  -5.155   6.992
  401   2HD   PRO  11          2HD       PRO  11   3.776  -4.801   8.260
  402    H    THR  12           H        THR  12   3.782  -4.830   4.275
  403    HA   THR  12           HA       THR  12   5.158  -4.708   1.829
  404    HB   THR  12           HB       THR  12   2.139  -4.536   2.285
  405    HG1  THR  12           HG1      THR  12   2.295  -6.844   2.148
  406   1HG2  THR  12          1HG2      THR  12   3.715  -5.625  -0.096
  407   2HG2  THR  12          3HG2      THR  12   1.947  -5.684   0.102
  408   3HG2  THR  12          2HG2      THR  12   2.772  -4.118  -0.079
  409    H    LEU  13           H        LEU  13   2.749  -2.475   3.169
  410    HA   LEU  13           HA       LEU  13   2.775  -0.552   1.090
  411   1HB   LEU  13          2HB       LEU  13   2.133  -0.152   4.044
  412   2HB   LEU  13          1HB       LEU  13   1.734   0.963   2.725
  413    HG   LEU  13           HG       LEU  13   0.694  -1.872   2.972
  414   1HD1  LEU  13          1HD1      LEU  13  -0.685   0.784   3.536
  415   2HD1  LEU  13          3HD1      LEU  13  -1.486  -0.802   3.512
  416   3HD1  LEU  13          2HD1      LEU  13  -0.243  -0.453   4.733
  417   1HD2  LEU  13          1HD2      LEU  13   0.837  -1.169   0.629
  418   2HD2  LEU  13          3HD2      LEU  13  -0.854  -1.268   1.151
  419   3HD2  LEU  13          2HD2      LEU  13  -0.065   0.320   1.000
  420    H    LYS  14           H        LYS  14   4.746  -0.794   4.021
  421    HA   LYS  14           HA       LYS  14   5.968   1.758   3.948
  422   1HB   LYS  14          2HB       LYS  14   7.121  -0.883   4.947
  423   2HB   LYS  14          1HB       LYS  14   7.802   0.713   5.281
  424   1HG   LYS  14          2HG       LYS  14   5.065  -0.282   6.176
  425   2HG   LYS  14          1HG       LYS  14   6.501  -0.134   7.190
  426   1HD   LYS  14          2HD       LYS  14   6.484   2.313   6.897
  427   2HD   LYS  14          1HD       LYS  14   5.089   2.195   5.811
  428   1HE   LYS  14          2HE       LYS  14   4.329   2.881   8.035
  429   2HE   LYS  14          1HE       LYS  14   3.727   1.246   7.680
  430   1HZ   LYS  14          2HZ       LYS  14   5.553   0.342   8.948
  431   2HZ   LYS  14          1HZ       LYS  14   6.124   1.905   9.292
  432   3HZ   LYS  14          3HZ       LYS  14   4.621   1.396   9.895
  433    H    SER  15           H        SER  15   6.975  -1.310   2.499
  434    HA   SER  15           HA       SER  15   9.436  -0.502   1.373
  435   1HB   SER  15          2HB       SER  15   7.454  -2.579   0.323
  436   2HB   SER  15          1HB       SER  15   9.175  -2.458  -0.111
  437    HG   SER  15           HG       SER  15   8.150  -2.903   2.519
  438    H    MET  16           H        MET  16   6.220  -0.670  -0.107
  439    HA   MET  16           HA       MET  16   6.718   0.450  -2.626
  440   1HB   MET  16          2HB       MET  16   4.584  -0.614  -1.943
  441   2HB   MET  16          1HB       MET  16   4.257   0.728  -0.840
  442   1HG   MET  16          2HG       MET  16   4.165   2.284  -2.770
  443   2HG   MET  16          1HG       MET  16   4.490   0.938  -3.873
  444   1HE   MET  16          1HE       MET  16   1.941   2.604  -1.376
  445   2HE   MET  16          3HE       MET  16   0.606   1.425  -1.355
  446   3HE   MET  16          2HE       MET  16   2.172   1.006  -0.624
  447    H    ALA  17           H        ALA  17   5.972   2.014   0.430
  448    HA   ALA  17           HA       ALA  17   5.147   4.547  -0.334
  449   1HB   ALA  17          2HB       ALA  17   4.982   3.687   1.974
  450   2HB   ALA  17          1HB       ALA  17   6.750   3.750   2.139
  451   3HB   ALA  17          3HB       ALA  17   5.827   5.250   1.957
  452    H    LYS  18           H        LYS  18   8.431   3.461   0.348
  453    HA   LYS  18           HA       LYS  18   9.849   5.864   0.310
  454   1HB   LYS  18          2HB       LYS  18  10.822   3.229  -0.889
  455   2HB   LYS  18          1HB       LYS  18  11.815   4.526  -0.211
  456   1HG   LYS  18          2HG       LYS  18   9.920   2.697   1.320
  457   2HG   LYS  18          1HG       LYS  18  11.684   2.647   1.343
  458   1HD   LYS  18          2HD       LYS  18  11.769   4.859   2.426
  459   2HD   LYS  18          1HD       LYS  18  10.003   4.984   2.351
  460   1HE   LYS  18          2HE       LYS  18  10.720   4.324   4.612
  461   2HE   LYS  18          1HE       LYS  18   9.792   3.012   3.851
  462   1HZ   LYS  18          1HZ       LYS  18  12.746   3.207   3.977
  463   2HZ   LYS  18          3HZ       LYS  18  11.772   2.192   4.928
  464   3HZ   LYS  18          2HZ       LYS  18  11.860   1.955   3.249
  465    H    LYS  19           H        LYS  19   9.222   3.666  -2.391
  466    HA   LYS  19           HA       LYS  19  10.165   5.646  -4.368
  467   1HB   LYS  19          2HB       LYS  19  10.023   3.714  -5.940
  468   2HB   LYS  19          1HB       LYS  19  11.079   3.420  -4.554
  469   1HG   LYS  19          2HG       LYS  19   9.258   2.123  -3.449
  470   2HG   LYS  19          1HG       LYS  19   8.218   2.390  -4.856
  471   1HD   LYS  19          2HD       LYS  19   9.918   1.192  -6.270
  472   2HD   LYS  19          1HD       LYS  19  10.862   0.868  -4.810
  473   1HE   LYS  19          2HE       LYS  19   8.009  -0.114  -5.301
  474   2HE   LYS  19          1HE       LYS  19   9.484  -1.099  -5.438
  475   1HZ   LYS  19          1HZ       LYS  19   8.561   0.303  -2.995
  476   2HZ   LYS  19          3HZ       LYS  19   8.412  -1.361  -3.298
  477   3HZ   LYS  19          2HZ       LYS  19   9.950  -0.663  -3.130
  478    H    CYS  20           H        CYS  20   7.832   6.476  -3.188
  479    HA   CYS  20           HA       CYS  20   5.824   6.128  -5.369
  480   1HB   CYS  20          2HB       CYS  20   5.369   6.925  -2.472
  481   2HB   CYS  20          1HB       CYS  20   4.126   6.926  -3.730
  482    H    GLU  21           H        GLU  21   4.349   7.936  -5.595
  483    HA   GLU  21           HA       GLU  21   5.822  10.301  -6.410
  484   1HB   GLU  21          2HB       GLU  21   2.822   9.720  -6.456
  485   2HB   GLU  21          1HB       GLU  21   3.671  10.953  -7.397
  486   1HG   GLU  21          2HG       GLU  21   4.818   9.266  -8.721
  487   2HG   GLU  21          1HG       GLU  21   4.207   7.960  -7.693
  488    H    GLY  22           H        GLY  22   5.102  12.441  -5.946
  489   1HA   GLY  22          2HA       GLY  22   4.648  14.254  -4.601
  490   2HA   GLY  22          1HA       GLY  22   3.145  13.390  -4.266
  491    H    SER  23           H        SER  23   2.791  12.597  -2.325
  492    HA   SER  23           HA       SER  23   4.907  12.198  -0.323
  493   1HB   SER  23          2HB       SER  23   2.594  14.157   0.107
  494   2HB   SER  23          1HB       SER  23   3.741  13.631   1.358
  495    HG   SER  23           HG       SER  23   5.430  14.529   0.009
  496    H    ILE  24           H        ILE  24   3.509  10.348  -1.607
  497    HA   ILE  24           HA       ILE  24   1.107   9.429  -0.374
  498    HB   ILE  24           HB       ILE  24   3.239   8.192  -2.110
  499   1HG1  ILE  24          2HG1      ILE  24   1.832   9.774  -3.245
  500   2HG1  ILE  24          1HG1      ILE  24   1.486   8.143  -3.824
  501   1HG2  ILE  24          1HG2      ILE  24   0.793   6.705  -1.124
  502   2HG2  ILE  24          3HG2      ILE  24   1.851   6.179  -2.455
  503   3HG2  ILE  24          2HG2      ILE  24   2.498   6.310  -0.807
  504   1HD1  ILE  24          2HD1      ILE  24  -0.573   8.071  -2.444
  505   2HD1  ILE  24          1HD1      ILE  24  -0.235   9.715  -1.857
  506   3HD1  ILE  24          3HD1      ILE  24  -0.586   9.443  -3.574
  507    H    ALA  25           H        ALA  25   4.506   8.717   0.185
  508    HA   ALA  25           HA       ALA  25   4.408   6.644   2.020
  509   1HB   ALA  25          2HB       ALA  25   6.506   7.564   1.106
  510   2HB   ALA  25          1HB       ALA  25   6.270   9.066   2.029
  511   3HB   ALA  25          3HB       ALA  25   6.569   7.533   2.883
  512    H    THR  26           H        THR  26   3.890  10.079   2.627
  513    HA   THR  26           HA       THR  26   3.862  10.114   5.445
  514    HB   THR  26           HB       THR  26   2.194  11.780   3.503
  515    HG1  THR  26           HG1      THR  26   4.796  12.198   4.604
  516   1HG2  THR  26          1HG2      THR  26   3.072  12.411   6.358
  517   2HG2  THR  26          3HG2      THR  26   2.222  13.522   5.258
  518   3HG2  THR  26          2HG2      THR  26   1.408  12.054   5.839
  519    H    MET  27           H        MET  27   1.138   9.792   3.188
  520    HA   MET  27           HA       MET  27  -0.935   9.369   5.075
  521   1HB   MET  27          2HB       MET  27  -0.675   8.401   2.201
  522   2HB   MET  27          1HB       MET  27  -2.170   8.376   3.149
  523   1HG   MET  27          2HG       MET  27  -0.620  10.887   2.399
  524   2HG   MET  27          1HG       MET  27  -2.045  10.279   1.551
  525   1HE   MET  27          2HE       MET  27  -0.808  11.296   5.262
  526   2HE   MET  27          1HE       MET  27  -0.768  12.697   4.170
  527   3HE   MET  27          3HE       MET  27  -1.942  12.645   5.502
  528    H    ILE  28           H        ILE  28   0.887   6.988   3.173
  529    HA   ILE  28           HA       ILE  28  -0.153   4.591   4.076
  530    HB   ILE  28           HB       ILE  28   2.698   5.372   3.384
  531   1HG1  ILE  28          2HG1      ILE  28   0.638   3.851   1.760
  532   2HG1  ILE  28          1HG1      ILE  28   0.971   5.580   1.591
  533   1HG2  ILE  28          1HG2      ILE  28   1.626   2.564   3.821
  534   2HG2  ILE  28          3HG2      ILE  28   3.206   2.947   3.089
  535   3HG2  ILE  28          2HG2      ILE  28   2.882   3.381   4.776
  536   1HD1  ILE  28          2HD1      ILE  28   3.320   5.054   0.945
  537   2HD1  ILE  28          1HD1      ILE  28   2.962   3.314   1.083
  538   3HD1  ILE  28          3HD1      ILE  28   2.147   4.295  -0.151
  539    H    LYS  29           H        LYS  29   2.461   6.459   5.548
  540    HA   LYS  29           HA       LYS  29   3.187   4.736   7.643
  541   1HB   LYS  29          2HB       LYS  29   4.423   6.828   6.887
  542   2HB   LYS  29          1HB       LYS  29   3.179   7.787   7.671
  543   1HG   LYS  29          2HG       LYS  29   5.189   7.593   9.081
  544   2HG   LYS  29          1HG       LYS  29   3.753   6.928   9.862
  545   1HD   LYS  29          2HD       LYS  29   5.639   5.498  10.334
  546   2HD   LYS  29          1HD       LYS  29   4.520   4.626   9.290
  547   1HE   LYS  29          2HE       LYS  29   7.062   6.007   8.311
  548   2HE   LYS  29          1HE       LYS  29   6.951   4.284   8.722
  549   1HZ   LYS  29          2HZ       LYS  29   5.236   4.054   7.039
  550   2HZ   LYS  29          1HZ       LYS  29   5.414   5.686   6.613
  551   3HZ   LYS  29          3HZ       LYS  29   6.699   4.608   6.386
  552    H    LYS  30           H        LYS  30   0.969   7.481   7.658
  553    HA   LYS  30           HA       LYS  30   0.150   7.588  10.301
  554   1HB   LYS  30          2HB       LYS  30  -0.371   9.236   8.514
  555   2HB   LYS  30          1HB       LYS  30  -1.525   8.103   7.803
  556   1HG   LYS  30          2HG       LYS  30  -2.870   8.176   9.904
  557   2HG   LYS  30          1HG       LYS  30  -1.734   9.356  10.575
  558   1HD   LYS  30          2HD       LYS  30  -3.488   9.742   8.109
  559   2HD   LYS  30          1HD       LYS  30  -3.759  10.457   9.705
  560   1HE   LYS  30          2HE       LYS  30  -1.628  11.737   9.490
  561   2HE   LYS  30          1HE       LYS  30  -1.385  11.041   7.871
  562   1HZ   LYS  30          2HZ       LYS  30  -3.468  12.011   7.184
  563   2HZ   LYS  30          1HZ       LYS  30  -3.695  12.681   8.728
  564   3HZ   LYS  30          3HZ       LYS  30  -2.404  13.204   7.757
  565    H    LYS  31           H        LYS  31  -1.351   5.740   7.663
  566    HA   LYS  31           HA       LYS  31  -3.531   4.706   9.183
  567   1HB   LYS  31          2HB       LYS  31  -2.308   3.458   6.694
  568   2HB   LYS  31          1HB       LYS  31  -3.948   3.223   7.313
  569   1HG   LYS  31          2HG       LYS  31  -2.765   5.718   6.048
  570   2HG   LYS  31          1HG       LYS  31  -4.096   4.724   5.456
  571   1HD   LYS  31          2HD       LYS  31  -5.571   5.485   7.218
  572   2HD   LYS  31          1HD       LYS  31  -4.256   6.381   8.000
  573   1HE   LYS  31          2HE       LYS  31  -5.359   6.972   5.213
  574   2HE   LYS  31          1HE       LYS  31  -5.753   7.879   6.688
  575   1HZ   LYS  31          1HZ       LYS  31  -3.044   7.548   5.528
  576   2HZ   LYS  31          3HZ       LYS  31  -4.007   8.944   5.431
  577   3HZ   LYS  31          2HZ       LYS  31  -3.427   8.416   6.936
  578    H    CYS  32           H        CYS  32  -0.345   3.380   8.407
  579    HA   CYS  32           HA       CYS  32  -0.718   0.766   9.396
  580   1HB   CYS  32          2HB       CYS  32   1.194   1.238   8.009
  581   2HB   CYS  32          1HB       CYS  32   1.815   2.430   9.170
  582    H    ASP  33           H        ASP  33   0.701   3.598  11.097
  583    HA   ASP  33           HA       ASP  33   0.625   2.168  13.649
  584   1HB   ASP  33          2HB       ASP  33   1.666   4.035  14.645
  585   2HB   ASP  33          1HB       ASP  33   2.406   3.896  13.045
  586    H    LYS  34           H        LYS  34  -0.223   3.774  15.492
  587    HA   LYS  34           HA       LYS  34  -2.779   5.038  14.896
  588   1HB   LYS  34          2HB       LYS  34  -4.170   3.631  16.243
  589   2HB   LYS  34          1HB       LYS  34  -3.367   2.604  15.070
  590   1HG   LYS  34          2HG       LYS  34  -2.609   2.915  18.012
  591   2HG   LYS  34          1HG       LYS  34  -3.527   1.580  17.328
  592   1HD   LYS  34          2HD       LYS  34  -0.633   2.185  16.589
  593   2HD   LYS  34          1HD       LYS  34  -1.120   1.090  17.876
  594   1HE   LYS  34          2HE       LYS  34  -0.577  -0.233  15.930
  595   2HE   LYS  34          1HE       LYS  34  -2.331  -0.324  16.192
  596   1HZ   LYS  34          1HZ       LYS  34  -0.964   1.460  14.268
  597   2HZ   LYS  34          3HZ       LYS  34  -1.766   0.017  13.884
  598   3HZ   LYS  34          2HZ       LYS  34  -2.642   1.332  14.495
   
  No H/Q in entry =         598
  Start of MODEL          20
 Raw file had  604 H/Q atoms
  Start of MODEL   20
    1   1H    GLY   1          2H        GLY   1   3.142 -17.168   0.622
    2   2H    GLY   1          1H        GLY   1   3.142 -18.199   1.972
    3   3H    GLY   1          3H        GLY   1   2.376 -18.683   0.535
    4   1HA   GLY   1          2HA       GLY   1   0.758 -16.935   0.756
    5   2HA   GLY   1          1HA       GLY   1   0.761 -18.011   2.165
    6    H    VAL   2           H        VAL   2   2.521 -15.146   1.005
    7    HA   VAL   2           HA       VAL   2   3.145 -14.067   3.553
    8    HB   VAL   2           HB       VAL   2   4.337 -13.497   1.496
    9   1HG1  VAL   2          2HG1      VAL   2   2.523 -13.338  -0.132
   10   2HG1  VAL   2          1HG1      VAL   2   1.906 -11.868   0.661
   11   3HG1  VAL   2          3HG1      VAL   2   3.496 -11.851  -0.125
   12   1HG2  VAL   2          1HG2      VAL   2   4.596 -12.030   3.405
   13   2HG2  VAL   2          3HG2      VAL   2   4.630 -11.074   1.906
   14   3HG2  VAL   2          2HG2      VAL   2   3.173 -11.081   2.923
   15    H    ILE   3           H        ILE   3   0.548 -13.295   1.282
   16    HA   ILE   3           HA       ILE   3  -1.171 -12.370   3.499
   17    HB   ILE   3           HB       ILE   3  -0.594 -10.785   0.965
   18   1HG1  ILE   3          2HG1      ILE   3   0.005 -10.160   3.877
   19   2HG1  ILE   3          1HG1      ILE   3   1.171 -10.500   2.598
   20   1HG2  ILE   3          2HG2      ILE   3  -2.988 -10.640   1.500
   21   2HG2  ILE   3          1HG2      ILE   3  -2.599 -10.176   3.173
   22   3HG2  ILE   3          3HG2      ILE   3  -2.196  -9.089   1.824
   23   1HD1  ILE   3          2HD1      ILE   3   0.558  -8.414   1.431
   24   2HD1  ILE   3          1HD1      ILE   3  -0.631  -8.044   2.704
   25   3HD1  ILE   3          3HD1      ILE   3   1.099  -8.097   3.093
   26    HA   PRO   4           HA       PRO   4  -3.796 -14.988   0.996
   27   1HB   PRO   4          2HB       PRO   4  -6.070 -14.904   2.464
   28   2HB   PRO   4          1HB       PRO   4  -4.571 -15.618   3.147
   29   1HG   PRO   4          1HG       PRO   4  -5.636 -12.779   3.475
   30   2HG   PRO   4          2HG       PRO   4  -5.166 -13.940   4.764
   31   1HD   PRO   4          1HD       PRO   4  -3.412 -12.052   3.850
   32   2HD   PRO   4          2HD       PRO   4  -2.853 -13.697   4.308
   33    H    LYS   5           H        LYS   5  -5.862 -14.998  -0.078
   34    HA   LYS   5           HA       LYS   5  -6.246 -12.879  -1.866
   35   1HB   LYS   5          2HB       LYS   5  -6.893 -15.210  -2.306
   36   2HB   LYS   5          1HB       LYS   5  -8.141 -15.129  -1.051
   37   1HG   LYS   5          2HG       LYS   5  -9.374 -13.451  -2.336
   38   2HG   LYS   5          1HG       LYS   5  -8.101 -13.418  -3.572
   39   1HD   LYS   5          2HD       LYS   5  -8.585 -15.804  -4.099
   40   2HD   LYS   5          1HD       LYS   5  -9.862 -15.812  -2.871
   41   1HE   LYS   5          2HE       LYS   5  -9.825 -14.064  -5.378
   42   2HE   LYS   5          1HE       LYS   5 -10.797 -15.535  -5.153
   43   1HZ   LYS   5          1HZ       LYS   5 -10.964 -13.080  -3.503
   44   2HZ   LYS   5          3HZ       LYS   5 -12.068 -13.546  -4.706
   45   3HZ   LYS   5          2HZ       LYS   5 -11.899 -14.483  -3.300
   46    H    LYS   6           H        LYS   6  -8.158 -13.776   0.975
   47    HA   LYS   6           HA       LYS   6 -10.267 -11.949   0.806
   48   1HB   LYS   6          2HB       LYS   6  -9.906 -13.911   2.421
   49   2HB   LYS   6          1HB       LYS   6  -8.910 -12.830   3.389
   50   1HG   LYS   6          2HG       LYS   6 -11.850 -12.399   2.724
   51   2HG   LYS   6          1HG       LYS   6 -11.245 -13.075   4.234
   52   1HD   LYS   6          2HD       LYS   6 -10.852 -10.222   3.232
   53   2HD   LYS   6          1HD       LYS   6 -11.892 -10.755   4.548
   54   1HE   LYS   6          2HE       LYS   6  -8.846 -10.953   4.561
   55   2HE   LYS   6          1HE       LYS   6  -9.813  -9.727   5.410
   56   1HZ   LYS   6          1HZ       LYS   6  -9.958 -12.654   5.832
   57   2HZ   LYS   6          3HZ       LYS   6  -9.188 -11.538   6.855
   58   3HZ   LYS   6          2HZ       LYS   6 -10.874 -11.481   6.651
   59    H    ILE   7           H        ILE   7  -7.207 -11.591   2.596
   60    HA   ILE   7           HA       ILE   7  -7.591  -8.965   3.532
   61    HB   ILE   7           HB       ILE   7  -5.066 -10.533   2.955
   62   1HG1  ILE   7          2HG1      ILE   7  -6.554 -11.453   4.711
   63   2HG1  ILE   7          1HG1      ILE   7  -4.970 -10.960   5.327
   64   1HG2  ILE   7          1HG2      ILE   7  -5.262  -7.870   4.417
   65   2HG2  ILE   7          3HG2      ILE   7  -3.831  -8.924   4.394
   66   3HG2  ILE   7          2HG2      ILE   7  -4.413  -8.185   2.887
   67   1HD1  ILE   7          1HD1      ILE   7  -7.563  -9.362   5.614
   68   2HD1  ILE   7          3HD1      ILE   7  -6.787 -10.332   6.885
   69   3HD1  ILE   7          2HD1      ILE   7  -5.973  -8.886   6.254
   70    H    TRP   8           H        TRP   8  -6.174 -10.071   0.471
   71    HA   TRP   8           HA       TRP   8  -5.267  -7.567  -0.458
   72   1HB   TRP   8          2HB       TRP   8  -6.157 -10.064  -1.940
   73   2HB   TRP   8          1HB       TRP   8  -5.587  -8.611  -2.792
   74    HD1  TRP   8          1HD       TRP   8  -4.110 -11.791  -1.640
   75    HE1  TRP   8          1HE       TRP   8  -1.646 -11.622  -1.130
   76    HE3  TRP   8          3HE       TRP   8  -3.719  -6.691  -1.519
   77    HZ2  TRP   8          2HZ       TRP   8   0.244  -9.554  -0.707
   78    HZ3  TRP   8          3HZ       TRP   8  -1.516  -5.663  -1.082
   79    HH2  TRP   8          2HH       TRP   8   0.463  -7.093  -0.683
   80    H    GLU   9           H        GLU   9  -8.448  -9.070  -0.809
   81    HA   GLU   9           HA       GLU   9  -9.635  -6.915  -2.263
   82   1HB   GLU   9          2HB       GLU   9 -10.720  -9.256  -0.718
   83   2HB   GLU   9          1HB       GLU   9 -11.814  -7.956  -1.202
   84   1HG   GLU   9          2HG       GLU   9 -11.917  -9.684  -2.882
   85   2HG   GLU   9          1HG       GLU   9 -11.098  -8.283  -3.587
   86    H    THR  10           H        THR  10  -9.276  -7.562   1.171
   87    HA   THR  10           HA       THR  10 -11.012  -5.581   2.216
   88    HB   THR  10           HB       THR  10  -8.444  -6.745   3.382
   89    HG1  THR  10           HG1      THR  10 -10.120  -8.262   2.902
   90   1HG2  THR  10          1HG2      THR  10 -10.717  -5.304   4.815
   91   2HG2  THR  10          3HG2      THR  10  -9.349  -6.130   5.596
   92   3HG2  THR  10          2HG2      THR  10  -9.063  -4.686   4.601
   93    H    VAL  11           H        VAL  11  -7.553  -5.472   1.456
   94    HA   VAL  11           HA       VAL  11  -7.151  -2.790   2.349
   95    HB   VAL  11           HB       VAL  11  -4.961  -2.899   1.298
   96   1HG1  VAL  11          1HG1      VAL  11  -5.686  -5.365   2.924
   97   2HG1  VAL  11          3HG1      VAL  11  -4.037  -4.752   2.663
   98   3HG1  VAL  11          2HG1      VAL  11  -5.222  -3.768   3.552
   99   1HG2  VAL  11          1HG2      VAL  11  -5.418  -4.195  -0.726
  100   2HG2  VAL  11          3HG2      VAL  11  -4.124  -4.956   0.226
  101   3HG2  VAL  11          2HG2      VAL  11  -5.766  -5.634   0.260
  102    H    CYS  12           H        CYS  12  -7.917  -4.166  -0.763
  103    HA   CYS  12           HA       CYS  12  -7.271  -2.695  -2.782
  104   1HB   CYS  12          2HB       CYS  12 -10.050  -3.545  -2.024
  105   2HB   CYS  12          1HB       CYS  12  -9.821  -2.589  -3.483
  106    HA   PRO  13           HA       PRO  13 -10.078   1.176  -2.513
  107   1HB   PRO  13          2HB       PRO  13 -11.460   1.749  -0.206
  108   2HB   PRO  13          1HB       PRO  13 -12.113   0.684  -1.492
  109   1HG   PRO  13          1HG       PRO  13 -10.636  -0.116   1.061
  110   2HG   PRO  13          2HG       PRO  13 -12.202  -0.728   0.430
  111   1HD   PRO  13          1HD       PRO  13  -9.933  -2.102  -0.051
  112   2HD   PRO  13          2HD       PRO  13 -11.169  -1.919  -1.341
  113    H    THR  14           H        THR  14  -8.849   0.463   0.737
  114    HA   THR  14           HA       THR  14  -8.016   3.073   1.469
  115    HB   THR  14           HB       THR  14  -6.922   0.374   2.346
  116    HG1  THR  14           HG1      THR  14  -8.499   0.598   4.016
  117   1HG2  THR  14          1HG2      THR  14  -6.886   3.064   3.796
  118   2HG2  THR  14          3HG2      THR  14  -6.347   1.514   4.482
  119   3HG2  THR  14          2HG2      THR  14  -5.472   2.231   3.111
  120    H    VAL  15           H        VAL  15  -6.150   0.336   0.158
  121    HA   VAL  15           HA       VAL  15  -3.757   1.943  -0.249
  122    HB   VAL  15           HB       VAL  15  -2.728  -0.063  -1.056
  123   1HG1  VAL  15          2HG1      VAL  15  -2.881   0.125   1.358
  124   2HG1  VAL  15          1HG1      VAL  15  -4.469  -0.674   1.353
  125   3HG1  VAL  15          3HG1      VAL  15  -3.016  -1.581   0.876
  126   1HG2  VAL  15          2HG2      VAL  15  -5.465  -1.384  -1.074
  127   2HG2  VAL  15          1HG2      VAL  15  -4.457  -1.004  -2.485
  128   3HG2  VAL  15          3HG2      VAL  15  -3.916  -2.222  -1.312
  129    H    GLU  16           H        GLU  16  -6.529   1.978  -1.926
  130    HA   GLU  16           HA       GLU  16  -5.796   1.649  -4.632
  131   1HB   GLU  16          2HB       GLU  16  -8.128   1.831  -3.871
  132   2HB   GLU  16          1HB       GLU  16  -7.888   3.519  -3.445
  133   1HG   GLU  16          2HG       GLU  16  -7.648   2.413  -6.274
  134   2HG   GLU  16          1HG       GLU  16  -9.111   3.154  -5.607
  135    HA   PRO  17           HA       PRO  17  -4.813   6.382  -4.908
  136   1HB   PRO  17          2HB       PRO  17  -4.265   7.735  -2.561
  137   2HB   PRO  17          1HB       PRO  17  -5.906   7.633  -3.279
  138   1HG   PRO  17          1HG       PRO  17  -4.675   5.869  -1.111
  139   2HG   PRO  17          2HG       PRO  17  -6.251   6.734  -1.093
  140   1HD   PRO  17          1HD       PRO  17  -6.184   4.141  -1.773
  141   2HD   PRO  17          2HD       PRO  17  -7.202   5.274  -2.720
  142    H    TRP  18           H        TRP  18  -3.310   4.725  -2.138
  143    HA   TRP  18           HA       TRP  18  -0.719   5.839  -2.400
  144   1HB   TRP  18          2HB       TRP  18  -1.472   3.125  -1.237
  145   2HB   TRP  18          1HB       TRP  18   0.083   3.949  -1.021
  146    HD1  TRP  18          1HD       TRP  18  -1.167   7.003  -0.439
  147    HE1  TRP  18          1HE       TRP  18  -2.158   7.475   1.821
  148    HE3  TRP  18          3HE       TRP  18  -2.141   2.184   0.964
  149    HZ2  TRP  18          2HZ       TRP  18  -3.215   5.976   3.972
  150    HZ3  TRP  18          3HZ       TRP  18  -3.158   1.762   3.180
  151    HH2  TRP  18          2HH       TRP  18  -3.685   3.654   4.685
  152    H    ALA  19           H        ALA  19  -1.782   2.590  -3.371
  153    HA   ALA  19           HA       ALA  19   0.551   1.800  -4.721
  154   1HB   ALA  19          2HB       ALA  19  -1.219   0.221  -4.057
  155   2HB   ALA  19          1HB       ALA  19  -2.334   0.947  -5.237
  156   3HB   ALA  19          3HB       ALA  19  -0.886   0.081  -5.799
  157    H    LYS  20           H        LYS  20  -2.399   3.247  -6.034
  158    HA   LYS  20           HA       LYS  20  -1.834   3.278  -8.770
  159   1HB   LYS  20          2HB       LYS  20  -4.023   3.869  -7.901
  160   2HB   LYS  20          1HB       LYS  20  -3.363   5.252  -7.018
  161   1HG   LYS  20          2HG       LYS  20  -2.790   6.343  -9.191
  162   2HG   LYS  20          1HG       LYS  20  -3.509   4.970 -10.051
  163   1HD   LYS  20          2HD       LYS  20  -5.709   5.478  -9.146
  164   2HD   LYS  20          1HD       LYS  20  -5.040   6.734  -8.089
  165   1HE   LYS  20          2HE       LYS  20  -5.036   6.818 -11.145
  166   2HE   LYS  20          1HE       LYS  20  -6.171   7.692 -10.092
  167   1HZ   LYS  20          2HZ       LYS  20  -4.309   8.833  -9.095
  168   2HZ   LYS  20          1HZ       LYS  20  -3.224   7.998 -10.100
  169   3HZ   LYS  20          3HZ       LYS  20  -4.341   9.087 -10.776
  170    H    LYS  21           H        LYS  21  -1.339   5.929  -6.474
  171    HA   LYS  21           HA       LYS  21   0.383   7.409  -8.336
  172   1HB   LYS  21          2HB       LYS  21  -0.688   8.044  -5.556
  173   2HB   LYS  21          1HB       LYS  21   0.277   9.157  -6.540
  174   1HG   LYS  21          2HG       LYS  21  -1.429   9.253  -8.258
  175   2HG   LYS  21          1HG       LYS  21  -2.360   7.958  -7.496
  176   1HD   LYS  21          2HD       LYS  21  -1.858  10.668  -6.200
  177   2HD   LYS  21          1HD       LYS  21  -3.296  10.278  -7.161
  178   1HE   LYS  21          2HE       LYS  21  -3.878   8.465  -5.555
  179   2HE   LYS  21          1HE       LYS  21  -2.446   8.871  -4.581
  180   1HZ   LYS  21          1HZ       LYS  21  -4.697  10.691  -5.201
  181   2HZ   LYS  21          3HZ       LYS  21  -4.426   9.904  -3.720
  182   3HZ   LYS  21          2HZ       LYS  21  -3.328  11.077  -4.272
  183    H    CYS  22           H        CYS  22   1.670   5.210  -7.933
  184    HA   CYS  22           HA       CYS  22   4.101   5.971  -6.537
  185   1HB   CYS  22          2HB       CYS  22   2.657   5.000  -4.719
  186   2HB   CYS  22          1HB       CYS  22   2.570   3.478  -5.629
  187    H    SER  23           H        SER  23   5.713   4.133  -6.681
  188    HA   SER  23           HA       SER  23   5.350   2.346  -9.011
  189   1HB   SER  23          2HB       SER  23   7.486   3.134 -10.006
  190   2HB   SER  23          1HB       SER  23   6.300   4.451  -9.908
  191    HG   SER  23           HG       SER  23   8.379   3.973  -8.000
  192    H    GLY  24           H        GLY  24   7.671   1.258  -9.320
  193   1HA   GLY  24          2HA       GLY  24   9.446   0.015  -8.354
  194   2HA   GLY  24          1HA       GLY  24   8.815   0.390  -6.744
  195    H    ASP  25           H        ASP  25   9.472  -1.965  -6.770
  196    HA   ASP  25           HA       ASP  25   8.077  -4.015  -8.086
  197   1HB   ASP  25          2HB       ASP  25   9.389  -4.069  -5.326
  198   2HB   ASP  25          1HB       ASP  25   8.978  -5.492  -6.304
  199    H    ILE  26           H        ILE  26   7.511  -2.647  -4.858
  200    HA   ILE  26           HA       ILE  26   5.384  -4.402  -4.138
  201    HB   ILE  26           HB       ILE  26   5.869  -1.603  -3.075
  202   1HG1  ILE  26          2HG1      ILE  26   7.972  -2.825  -2.901
  203   2HG1  ILE  26          1HG1      ILE  26   7.245  -2.595  -1.311
  204   1HG2  ILE  26          1HG2      ILE  26   4.489  -4.035  -1.860
  205   2HG2  ILE  26          3HG2      ILE  26   4.809  -2.506  -1.014
  206   3HG2  ILE  26          2HG2      ILE  26   3.711  -2.532  -2.406
  207   1HD1  ILE  26          1HD1      ILE  26   7.162  -5.182  -2.939
  208   2HD1  ILE  26          3HD1      ILE  26   8.203  -4.862  -1.531
  209   3HD1  ILE  26          2HD1      ILE  26   6.440  -4.950  -1.328
  210    H    ALA  27           H        ALA  27   5.372  -1.103  -5.473
  211    HA   ALA  27           HA       ALA  27   2.629  -0.564  -5.496
  212   1HB   ALA  27          1HB       ALA  27   4.702   0.172  -7.616
  213   2HB   ALA  27          3HB       ALA  27   3.106   0.936  -7.420
  214   3HB   ALA  27          2HB       ALA  27   4.332   1.099  -6.143
  215    H    THR  28           H        THR  28   4.570  -2.214  -7.945
  216    HA   THR  28           HA       THR  28   2.515  -2.895  -9.775
  217    HB   THR  28           HB       THR  28   5.144  -4.325  -9.173
  218    HG1  THR  28           HG1      THR  28   4.479  -2.268 -11.039
  219   1HG2  THR  28          1HG2      THR  28   3.426  -4.406 -11.697
  220   2HG2  THR  28          3HG2      THR  28   5.032  -5.148 -11.502
  221   3HG2  THR  28          2HG2      THR  28   3.656  -5.752 -10.554
  222    H    TYR  29           H        TYR  29   3.799  -4.584  -6.948
  223    HA   TYR  29           HA       TYR  29   2.530  -7.091  -7.352
  224   1HB   TYR  29          2HB       TYR  29   4.424  -6.879  -5.853
  225   2HB   TYR  29          1HB       TYR  29   3.548  -5.745  -4.820
  226    HD1  TYR  29          1HD       TYR  29   2.839  -9.153  -6.286
  227    HD2  TYR  29          2HD       TYR  29   2.910  -6.655  -2.793
  228    HE1  TYR  29          1HE       TYR  29   2.016 -11.039  -4.918
  229    HE2  TYR  29          2HE       TYR  29   2.118  -8.552  -1.423
  230    HH   TYR  29           HH       TYR  29   1.355 -11.718  -2.884
  231    H    ILE  30           H        ILE  30   1.668  -4.586  -4.970
  232    HA   ILE  30           HA       ILE  30  -0.770  -5.548  -4.081
  233    HB   ILE  30           HB       ILE  30   0.090  -2.662  -4.520
  234   1HG1  ILE  30          2HG1      ILE  30   0.247  -4.380  -2.014
  235   2HG1  ILE  30          1HG1      ILE  30   1.612  -4.006  -3.072
  236   1HG2  ILE  30          1HG2      ILE  30  -2.164  -3.724  -2.763
  237   2HG2  ILE  30          3HG2      ILE  30  -1.585  -2.041  -2.790
  238   3HG2  ILE  30          2HG2      ILE  30  -2.348  -2.735  -4.230
  239   1HD1  ILE  30          2HD1      ILE  30   1.337  -1.584  -2.574
  240   2HD1  ILE  30          1HD1      ILE  30  -0.014  -1.967  -1.479
  241   3HD1  ILE  30          3HD1      ILE  30   1.625  -2.530  -1.098
  242    H    LYS  31           H        LYS  31  -0.178  -3.419  -6.845
  243    HA   LYS  31           HA       LYS  31  -2.743  -2.924  -7.793
  244   1HB   LYS  31          2HB       LYS  31  -0.727  -1.907  -8.705
  245   2HB   LYS  31          1HB       LYS  31  -0.155  -3.451  -9.314
  246   1HG   LYS  31          2HG       LYS  31  -2.666  -2.046 -10.306
  247   2HG   LYS  31          1HG       LYS  31  -1.075  -1.857 -11.043
  248   1HD   LYS  31          2HD       LYS  31  -2.776  -4.391 -10.968
  249   2HD   LYS  31          1HD       LYS  31  -2.357  -3.406 -12.362
  250   1HE   LYS  31          2HE       LYS  31  -0.007  -4.060 -12.226
  251   2HE   LYS  31          1HE       LYS  31  -0.306  -4.963 -10.723
  252   1HZ   LYS  31          2HZ       LYS  31  -1.831  -6.375 -11.913
  253   2HZ   LYS  31          1HZ       LYS  31  -1.538  -5.524 -13.353
  254   3HZ   LYS  31          3HZ       LYS  31  -0.289  -6.413 -12.623
  255    H    ARG  32           H        ARG  32  -0.668  -5.714  -8.537
  256    HA   ARG  32           HA       ARG  32  -2.526  -7.080 -10.207
  257   1HB   ARG  32          2HB       ARG  32  -0.097  -7.542 -10.213
  258   2HB   ARG  32          1HB       ARG  32  -0.217  -8.219  -8.580
  259   1HG   ARG  32          2HG       ARG  32  -1.731  -9.981  -9.393
  260   2HG   ARG  32          1HG       ARG  32  -1.679  -9.298 -11.028
  261   1HD   ARG  32          2HD       ARG  32   0.767  -9.789 -11.132
  262   2HD   ARG  32          1HD       ARG  32   0.674 -10.509  -9.505
  263    HE   ARG  32           HE       ARG  32  -1.290 -11.741 -11.122
  264   1HH1  ARG  32          2HH2      ARG  32   2.206 -11.516 -10.887
  265   2HH1  ARG  32          1HH2      ARG  32   2.469 -13.081 -11.583
  266   1HH2  ARG  32          2HH1      ARG  32  -0.930 -13.780 -12.030
  267   2HH2  ARG  32          1HH1      ARG  32   0.688 -14.367 -12.230
  268    H    GLU  33           H        GLU  33  -1.792  -7.433  -6.734
  269    HA   GLU  33           HA       GLU  33  -3.309  -9.761  -6.247
  270   1HB   GLU  33          2HB       GLU  33  -2.736  -7.475  -4.313
  271   2HB   GLU  33          1HB       GLU  33  -3.252  -9.110  -3.885
  272   1HG   GLU  33          2HG       GLU  33  -0.593  -8.373  -5.179
  273   2HG   GLU  33          1HG       GLU  33  -0.838  -8.807  -3.488
  274    H    CYS  34           H        CYS  34  -4.226  -6.400  -5.519
  275    HA   CYS  34           HA       CYS  34  -6.963  -6.936  -4.939
  276   1HB   CYS  34          2HB       CYS  34  -5.914  -4.883  -4.160
  277   2HB   CYS  34          1HB       CYS  34  -5.545  -4.380  -5.823
  278    H    GLY  35           H        GLY  35  -5.457  -5.491  -7.810
  279   1HA   GLY  35          2HA       GLY  35  -7.847  -5.130  -9.309
  280   2HA   GLY  35          1HA       GLY  35  -6.202  -5.054  -9.955
  281    H    LYS  36           H        LYS  36  -5.135  -7.235 -10.229
  282    HA   LYS  36           HA       LYS  36  -6.705  -8.927 -11.941
  283   1HB   LYS  36          2HB       LYS  36  -4.197  -8.468 -12.091
  284   2HB   LYS  36          1HB       LYS  36  -3.980  -9.573 -10.741
  285   1HG   LYS  36          2HG       LYS  36  -5.312 -10.327 -13.374
  286   2HG   LYS  36          1HG       LYS  36  -3.593 -10.540 -13.056
  287   1HD   LYS  36          2HD       LYS  36  -5.738 -11.905 -11.379
  288   2HD   LYS  36          1HD       LYS  36  -5.094 -12.595 -12.860
  289   1HE   LYS  36          2HE       LYS  36  -3.968 -13.581 -10.934
  290   2HE   LYS  36          1HE       LYS  36  -2.812 -12.626 -11.882
  291   1HZ   LYS  36          1HZ       LYS  36  -4.192 -11.728  -9.420
  292   2HZ   LYS  36          3HZ       LYS  36  -2.581 -12.250  -9.524
  293   3HZ   LYS  36          2HZ       LYS  36  -3.064 -10.832 -10.319
  294    H    LEU  37           H        LEU  37  -8.380  -9.799 -10.920
  295    HA   LEU  37           HA       LEU  37  -8.028 -11.866  -8.899
  296   1HB   LEU  37          2HB       LEU  37  -7.951  -9.573  -7.718
  297   2HB   LEU  37          1HB       LEU  37  -9.640  -9.376  -8.161
  298    HG   LEU  37           HG       LEU  37  -9.495 -10.091  -5.896
  299   1HD1  LEU  37          2HD1      LEU  37 -11.402 -11.054  -7.070
  300   2HD1  LEU  37          1HD1      LEU  37 -10.433 -12.479  -7.521
  301   3HD1  LEU  37          3HD1      LEU  37 -10.808 -12.159  -5.813
  302   1HD2  LEU  37          2HD2      LEU  37  -7.819 -12.452  -6.821
  303   2HD2  LEU  37          1HD2      LEU  37  -7.276 -11.069  -5.845
  304   3HD2  LEU  37          3HD2      LEU  37  -8.448 -12.220  -5.173
  305   1H    TRP   1          1H        TRP   1  -6.494  -4.074   8.731
  306   2H    TRP   1          3H        TRP   1  -5.805  -2.915   7.701
  307   3H    TRP   1          2H        TRP   1  -5.283  -3.040   9.312
  308    HA   TRP   1           HA       TRP   1  -6.702  -1.140   9.092
  309   1HB   TRP   1          2HB       TRP   1  -8.785  -3.176   8.169
  310   2HB   TRP   1          1HB       TRP   1  -9.044  -1.439   8.393
  311    HD1  TRP   1          1HD       TRP   1  -9.731  -2.517   5.554
  312    HE1  TRP   1          1HE       TRP   1  -8.418  -2.008   3.469
  313    HE3  TRP   1          3HE       TRP   1  -5.319  -0.991   7.742
  314    HZ2  TRP   1          2HZ       TRP   1  -5.805  -1.175   2.824
  315    HZ3  TRP   1          3HZ       TRP   1  -3.456  -0.339   6.301
  316    HH2  TRP   1          2HH       TRP   1  -3.689  -0.420   3.839
  317    H    SER   2           H        SER   2  -8.143  -4.289   9.898
  318    HA   SER   2           HA       SER   2  -8.874  -3.641  12.604
  319   1HB   SER   2          2HB       SER   2  -9.792  -5.545  11.165
  320   2HB   SER   2          1HB       SER   2  -8.237  -6.377  11.394
  321    HG   SER   2           HG       SER   2  -9.821  -7.033  12.950
  322    H    THR   3           H        THR   3  -7.820  -5.328  14.332
  323    HA   THR   3           HA       THR   3  -5.228  -4.439  14.966
  324    HB   THR   3           HB       THR   3  -6.652  -6.995  15.832
  325    HG1  THR   3           HG1      THR   3  -6.533  -4.387  16.988
  326   1HG2  THR   3          1HG2      THR   3  -4.343  -5.519  17.187
  327   2HG2  THR   3          3HG2      THR   3  -5.227  -6.910  17.854
  328   3HG2  THR   3          2HG2      THR   3  -4.234  -7.109  16.396
  329    H    ILE   4           H        ILE   4  -6.170  -7.663  13.780
  330    HA   ILE   4           HA       ILE   4  -3.487  -8.527  13.224
  331    HB   ILE   4           HB       ILE   4  -6.208  -9.605  12.439
  332   1HG1  ILE   4          2HG1      ILE   4  -5.614 -11.492  13.971
  333   2HG1  ILE   4          1HG1      ILE   4  -4.160 -10.611  14.443
  334   1HG2  ILE   4          1HG2      ILE   4  -3.517 -10.905  11.871
  335   2HG2  ILE   4          3HG2      ILE   4  -5.100 -11.697  11.700
  336   3HG2  ILE   4          2HG2      ILE   4  -4.688 -10.315  10.667
  337   1HD1  ILE   4          1HD1      ILE   4  -7.020  -9.643  14.889
  338   2HD1  ILE   4          3HD1      ILE   4  -5.965 -10.383  16.115
  339   3HD1  ILE   4          2HD1      ILE   4  -5.540  -8.809  15.424
  340    H    VAL   5           H        VAL   5  -6.176  -7.518  11.154
  341    HA   VAL   5           HA       VAL   5  -5.086  -7.947   8.631
  342    HB   VAL   5           HB       VAL   5  -6.981  -5.745   9.522
  343   1HG1  VAL   5          2HG1      VAL   5  -6.096  -5.223   7.282
  344   2HG1  VAL   5          1HG1      VAL   5  -6.529  -6.852   6.719
  345   3HG1  VAL   5          3HG1      VAL   5  -7.803  -5.702   7.188
  346   1HG2  VAL   5          1HG2      VAL   5  -7.819  -7.980  10.115
  347   2HG2  VAL   5          3HG2      VAL   5  -8.784  -7.285   8.796
  348   3HG2  VAL   5          2HG2      VAL   5  -7.568  -8.536   8.448
  349    H    LYS   6           H        LYS   6  -4.875  -5.019  10.612
  350    HA   LYS   6           HA       LYS   6  -3.548  -3.331   8.780
  351   1HB   LYS   6          2HB       LYS   6  -4.604  -2.577  10.874
  352   2HB   LYS   6          1HB       LYS   6  -3.329  -3.364  11.825
  353   1HG   LYS   6          2HG       LYS   6  -1.661  -1.861  10.669
  354   2HG   LYS   6          1HG       LYS   6  -3.008  -1.035   9.879
  355   1HD   LYS   6          2HD       LYS   6  -2.445  -1.149  12.871
  356   2HD   LYS   6          1HD       LYS   6  -2.185   0.236  11.810
  357   1HE   LYS   6          2HE       LYS   6  -4.194   0.723  12.983
  358   2HE   LYS   6          1HE       LYS   6  -4.725   0.206  11.369
  359   1HZ   LYS   6          1HZ       LYS   6  -4.609  -1.499  13.788
  360   2HZ   LYS   6          3HZ       LYS   6  -6.013  -0.824  13.110
  361   3HZ   LYS   6          2HZ       LYS   6  -5.135  -1.993  12.252
  362    H    LEU   7           H        LEU   7  -2.144  -5.271  11.414
  363    HA   LEU   7           HA       LEU   7   0.558  -4.751  11.051
  364   1HB   LEU   7          2HB       LEU   7  -0.788  -7.360  11.877
  365   2HB   LEU   7          1HB       LEU   7   0.936  -7.021  12.075
  366    HG   LEU   7           HG       LEU   7  -1.293  -5.375  13.328
  367   1HD1  LEU   7          1HD1      LEU   7   0.455  -7.523  14.602
  368   2HD1  LEU   7          3HD1      LEU   7  -0.677  -6.459  15.472
  369   3HD1  LEU   7          2HD1      LEU   7  -1.293  -7.634  14.287
  370   1HD2  LEU   7          2HD2      LEU   7   1.709  -5.330  13.822
  371   2HD2  LEU   7          1HD2      LEU   7   0.751  -4.064  13.017
  372   3HD2  LEU   7          3HD2      LEU   7   0.494  -4.410  14.739
  373    H    THR   8           H        THR   8  -1.426  -7.115   9.349
  374    HA   THR   8           HA       THR   8   0.586  -8.498   7.925
  375    HB   THR   8           HB       THR   8  -2.299  -7.910   7.117
  376    HG1  THR   8           HG1      THR   8  -2.056  -8.956   9.157
  377   1HG2  THR   8          1HG2      THR   8  -0.453 -10.155   6.194
  378   2HG2  THR   8          3HG2      THR   8  -2.181  -9.992   5.797
  379   3HG2  THR   8          2HG2      THR   8  -1.016  -8.791   5.200
  380    H    ILE   9           H        ILE   9  -1.422  -5.745   6.907
  381    HA   ILE   9           HA       ILE   9  -0.129  -5.520   4.338
  382    HB   ILE   9           HB       ILE   9  -2.482  -5.055   4.568
  383   1HG1  ILE   9          2HG1      ILE   9  -2.665  -2.899   3.384
  384   2HG1  ILE   9          1HG1      ILE   9  -0.990  -2.531   3.799
  385   1HG2  ILE   9          2HG2      ILE   9  -2.614  -4.159   6.824
  386   2HG2  ILE   9          1HG2      ILE   9  -1.742  -2.689   6.327
  387   3HG2  ILE   9          3HG2      ILE   9  -3.362  -3.037   5.675
  388   1HD1  ILE   9          1HD1      ILE   9  -1.916  -4.870   2.061
  389   2HD1  ILE   9          3HD1      ILE   9  -1.180  -3.360   1.474
  390   3HD1  ILE   9          2HD1      ILE   9  -0.225  -4.487   2.460
  391    H    CYS  10           H        CYS  10   0.470  -4.067   7.425
  392    HA   CYS  10           HA       CYS  10   1.409  -1.526   6.806
  393   1HB   CYS  10          2HB       CYS  10   2.425  -3.415   8.962
  394   2HB   CYS  10          1HB       CYS  10   2.861  -1.706   8.844
  395    HA   PRO  11           HA       PRO  11   6.003  -3.059   6.479
  396   1HB   PRO  11          2HB       PRO  11   6.413  -5.664   5.633
  397   2HB   PRO  11          1HB       PRO  11   6.343  -5.181   7.359
  398   1HG   PRO  11          1HG       PRO  11   4.099  -6.272   5.600
  399   2HG   PRO  11          2HG       PRO  11   4.620  -6.825   7.228
  400   1HD   PRO  11          1HD       PRO  11   2.538  -5.158   7.012
  401   2HD   PRO  11          2HD       PRO  11   3.765  -4.862   8.293
  402    H    THR  12           H        THR  12   3.694  -4.642   4.328
  403    HA   THR  12           HA       THR  12   5.087  -4.502   1.879
  404    HB   THR  12           HB       THR  12   2.077  -4.224   2.328
  405    HG1  THR  12           HG1      THR  12   3.714  -6.547   2.040
  406   1HG2  THR  12          2HG2      THR  12   2.765  -3.751  -0.009
  407   2HG2  THR  12          1HG2      THR  12   3.628  -5.303  -0.069
  408   3HG2  THR  12          3HG2      THR  12   1.857  -5.276   0.106
  409    H    LEU  13           H        LEU  13   2.617  -2.265   3.151
  410    HA   LEU  13           HA       LEU  13   2.806  -0.306   1.132
  411   1HB   LEU  13          2HB       LEU  13   1.953  -0.002   4.039
  412   2HB   LEU  13          1HB       LEU  13   1.699   1.209   2.772
  413    HG   LEU  13           HG       LEU  13   0.541  -1.595   2.778
  414   1HD1  LEU  13          1HD1      LEU  13  -0.784   1.100   3.300
  415   2HD1  LEU  13          3HD1      LEU  13  -1.637  -0.455   3.155
  416   3HD1  LEU  13          2HD1      LEU  13  -0.499  -0.187   4.495
  417   1HD2  LEU  13          2HD2      LEU  13   0.064   0.700   0.831
  418   2HD2  LEU  13          1HD2      LEU  13   0.922  -0.818   0.480
  419   3HD2  LEU  13          3HD2      LEU  13  -0.813  -0.847   0.846
  420    H    LYS  14           H        LYS  14   4.612  -0.607   4.146
  421    HA   LYS  14           HA       LYS  14   5.934   1.897   4.144
  422   1HB   LYS  14          2HB       LYS  14   6.809  -0.826   5.194
  423   2HB   LYS  14          1HB       LYS  14   7.705   0.668   5.488
  424   1HG   LYS  14          2HG       LYS  14   4.800   0.255   6.303
  425   2HG   LYS  14          1HG       LYS  14   6.177  -0.056   7.372
  426   1HD   LYS  14          2HD       LYS  14   6.839   2.339   7.177
  427   2HD   LYS  14          1HD       LYS  14   5.442   2.634   6.123
  428   1HE   LYS  14          2HE       LYS  14   3.900   2.025   7.948
  429   2HE   LYS  14          1HE       LYS  14   5.275   1.647   9.012
  430   1HZ   LYS  14          1HZ       LYS  14   4.694   4.287   7.797
  431   2HZ   LYS  14          3HZ       LYS  14   4.402   3.850   9.411
  432   3HZ   LYS  14          2HZ       LYS  14   5.995   3.926   8.827
  433    H    SER  15           H        SER  15   6.916  -1.220   2.767
  434    HA   SER  15           HA       SER  15   9.391  -0.436   1.641
  435   1HB   SER  15          2HB       SER  15   7.427  -2.599   0.756
  436   2HB   SER  15          1HB       SER  15   9.102  -2.447   0.176
  437    HG   SER  15           HG       SER  15   8.310  -2.776   2.907
  438    H    MET  16           H        MET  16   6.136  -0.492   0.258
  439    HA   MET  16           HA       MET  16   6.699   0.382  -2.369
  440   1HB   MET  16          2HB       MET  16   4.502  -0.541  -1.509
  441   2HB   MET  16          1HB       MET  16   4.227   0.997  -0.691
  442   1HG   MET  16          2HG       MET  16   4.224   2.180  -2.833
  443   2HG   MET  16          1HG       MET  16   4.596   0.680  -3.700
  444   1HE   MET  16          1HE       MET  16   1.922   2.772  -1.733
  445   2HE   MET  16          3HE       MET  16   0.579   1.619  -1.556
  446   3HE   MET  16          2HE       MET  16   2.095   1.362  -0.663
  447    H    ALA  17           H        ALA  17   5.983   2.156   0.569
  448    HA   ALA  17           HA       ALA  17   5.558   4.757  -0.332
  449   1HB   ALA  17          1HB       ALA  17   6.864   3.816   2.262
  450   2HB   ALA  17          3HB       ALA  17   6.210   5.435   1.976
  451   3HB   ALA  17          2HB       ALA  17   5.121   4.031   1.976
  452    H    LYS  18           H        LYS  18   8.575   3.114   0.356
  453    HA   LYS  18           HA       LYS  18  10.491   5.070   0.494
  454   1HB   LYS  18          2HB       LYS  18  10.661   2.466  -1.089
  455   2HB   LYS  18          1HB       LYS  18  12.044   3.438  -0.558
  456   1HG   LYS  18          2HG       LYS  18  11.426   3.059   1.808
  457   2HG   LYS  18          1HG       LYS  18  10.012   2.126   1.302
  458   1HD   LYS  18          2HD       LYS  18  11.806   0.614   1.984
  459   2HD   LYS  18          1HD       LYS  18  11.476   0.430   0.258
  460   1HE   LYS  18          2HE       LYS  18  13.905   0.394   0.705
  461   2HE   LYS  18          1HE       LYS  18  13.476   1.806  -0.283
  462   1HZ   LYS  18          2HZ       LYS  18  13.456   3.141   1.715
  463   2HZ   LYS  18          1HZ       LYS  18  13.876   1.789   2.654
  464   3HZ   LYS  18          3HZ       LYS  18  14.967   2.394   1.500
  465    H    LYS  19           H        LYS  19   9.003   3.824  -2.461
  466    HA   LYS  19           HA       LYS  19  10.096   6.130  -3.991
  467   1HB   LYS  19          2HB       LYS  19  10.446   4.582  -5.924
  468   2HB   LYS  19          1HB       LYS  19  11.507   4.279  -4.543
  469   1HG   LYS  19          2HG       LYS  19  10.009   2.389  -3.844
  470   2HG   LYS  19          1HG       LYS  19   9.016   2.671  -5.279
  471   1HD   LYS  19          2HD       LYS  19  10.558   0.797  -5.643
  472   2HD   LYS  19          1HD       LYS  19  10.931   2.132  -6.740
  473   1HE   LYS  19          2HE       LYS  19  12.989   1.102  -5.810
  474   2HE   LYS  19          1HE       LYS  19  12.842   2.795  -5.297
  475   1HZ   LYS  19          1HZ       LYS  19  12.056   0.420  -3.709
  476   2HZ   LYS  19          3HZ       LYS  19  13.445   1.365  -3.467
  477   3HZ   LYS  19          2HZ       LYS  19  11.905   2.037  -3.216
  478    H    CYS  20           H        CYS  20   7.758   6.523  -3.027
  479    HA   CYS  20           HA       CYS  20   5.818   6.011  -5.225
  480   1HB   CYS  20          2HB       CYS  20   5.389   7.012  -2.386
  481   2HB   CYS  20          1HB       CYS  20   4.123   6.942  -3.624
  482    H    GLU  21           H        GLU  21   4.338   7.729  -5.719
  483    HA   GLU  21           HA       GLU  21   5.742  10.193  -6.442
  484   1HB   GLU  21          2HB       GLU  21   2.847   9.337  -6.940
  485   2HB   GLU  21          1HB       GLU  21   3.710  10.654  -7.739
  486   1HG   GLU  21          2HG       GLU  21   5.198   9.115  -8.879
  487   2HG   GLU  21          1HG       GLU  21   4.587   7.738  -7.942
  488    H    GLY  22           H        GLY  22   4.703  12.262  -6.165
  489   1HA   GLY  22          2HA       GLY  22   3.842  14.026  -4.968
  490   2HA   GLY  22          1HA       GLY  22   2.501  12.939  -4.597
  491    H    SER  23           H        SER  23   2.382  11.968  -2.645
  492    HA   SER  23           HA       SER  23   4.486  11.978  -0.661
  493   1HB   SER  23          2HB       SER  23   3.302  13.431   0.989
  494   2HB   SER  23          1HB       SER  23   3.793  14.336  -0.454
  495    HG   SER  23           HG       SER  23   1.186  13.256   0.028
  496    H    ILE  24           H        ILE  24   3.123   9.979  -1.815
  497    HA   ILE  24           HA       ILE  24   0.893   8.944  -0.380
  498    HB   ILE  24           HB       ILE  24   3.083   7.684  -2.022
  499   1HG1  ILE  24          2HG1      ILE  24   1.795   8.915  -3.497
  500   2HG1  ILE  24          1HG1      ILE  24   1.173   7.269  -3.647
  501   1HG2  ILE  24          1HG2      ILE  24   0.701   6.211  -0.891
  502   2HG2  ILE  24          3HG2      ILE  24   1.766   5.592  -2.176
  503   3HG2  ILE  24          2HG2      ILE  24   2.419   5.915  -0.559
  504   1HD1  ILE  24          2HD1      ILE  24  -0.778   7.846  -2.242
  505   2HD1  ILE  24          1HD1      ILE  24  -0.156   9.506  -2.075
  506   3HD1  ILE  24          3HD1      ILE  24  -0.652   8.905  -3.665
  507    H    ALA  25           H        ALA  25   4.361   8.471  -0.022
  508    HA   ALA  25           HA       ALA  25   4.539   6.545   1.945
  509   1HB   ALA  25          2HB       ALA  25   6.489   7.545   0.798
  510   2HB   ALA  25          1HB       ALA  25   6.223   9.080   1.654
  511   3HB   ALA  25          3HB       ALA  25   6.705   7.628   2.562
  512    H    THR  26           H        THR  26   4.048  10.014   2.405
  513    HA   THR  26           HA       THR  26   4.152  10.147   5.220
  514    HB   THR  26           HB       THR  26   2.482  11.825   3.292
  515    HG1  THR  26           HG1      THR  26   5.144  12.155   4.279
  516   1HG2  THR  26          1HG2      THR  26   3.505  12.496   6.093
  517   2HG2  THR  26          3HG2      THR  26   2.660  13.614   4.997
  518   3HG2  THR  26          2HG2      THR  26   1.807  12.199   5.652
  519    H    MET  27           H        MET  27   1.315   9.831   3.086
  520    HA   MET  27           HA       MET  27  -0.650   9.736   5.116
  521   1HB   MET  27          2HB       MET  27  -0.688   8.677   2.272
  522   2HB   MET  27          1HB       MET  27  -2.115   8.735   3.325
  523   1HG   MET  27          2HG       MET  27  -1.787  11.218   3.557
  524   2HG   MET  27          1HG       MET  27  -0.445  11.118   2.409
  525   1HE   MET  27          2HE       MET  27  -0.676  10.610  -0.149
  526   2HE   MET  27          1HE       MET  27  -1.387   9.031   0.261
  527   3HE   MET  27          3HE       MET  27  -2.189  10.085  -0.927
  528    H    ILE  28           H        ILE  28   0.790   7.029   3.296
  529    HA   ILE  28           HA       ILE  28  -0.346   4.827   4.522
  530    HB   ILE  28           HB       ILE  28   2.516   5.313   3.624
  531   1HG1  ILE  28          2HG1      ILE  28   0.257   3.831   2.248
  532   2HG1  ILE  28          1HG1      ILE  28   0.757   5.485   1.876
  533   1HG2  ILE  28          1HG2      ILE  28   1.270   2.634   4.352
  534   2HG2  ILE  28          3HG2      ILE  28   2.852   2.856   3.565
  535   3HG2  ILE  28          2HG2      ILE  28   2.594   3.451   5.211
  536   1HD1  ILE  28          2HD1      ILE  28   3.012   4.637   1.210
  537   2HD1  ILE  28          1HD1      ILE  28   2.472   2.975   1.548
  538   3HD1  ILE  28          3HD1      ILE  28   1.710   3.905   0.246
  539    H    LYS  29           H        LYS  29   2.519   6.594   5.574
  540    HA   LYS  29           HA       LYS  29   3.134   5.102   7.885
  541   1HB   LYS  29          2HB       LYS  29   4.725   6.567   6.778
  542   2HB   LYS  29          1HB       LYS  29   3.748   7.981   7.142
  543   1HG   LYS  29          2HG       LYS  29   4.851   6.240   9.365
  544   2HG   LYS  29          1HG       LYS  29   5.892   7.416   8.567
  545   1HD   LYS  29          2HD       LYS  29   3.278   8.171   9.948
  546   2HD   LYS  29          1HD       LYS  29   4.839   8.141  10.762
  547   1HE   LYS  29          2HE       LYS  29   4.439  10.421  10.160
  548   2HE   LYS  29          1HE       LYS  29   5.671   9.823   9.035
  549   1HZ   LYS  29          1HZ       LYS  29   2.772   9.985   8.452
  550   2HZ   LYS  29          3HZ       LYS  29   3.946  11.099   7.942
  551   3HZ   LYS  29          2HZ       LYS  29   3.995   9.503   7.377
  552    H    LYS  30           H        LYS  30   1.046   7.928   7.483
  553    HA   LYS  30           HA       LYS  30   0.557   8.557  10.172
  554   1HB   LYS  30          2HB       LYS  30  -1.271   8.776   7.740
  555   2HB   LYS  30          1HB       LYS  30  -1.677   9.436   9.324
  556   1HG   LYS  30          2HG       LYS  30   0.949  10.225   8.073
  557   2HG   LYS  30          1HG       LYS  30  -0.540  10.937   7.443
  558   1HD   LYS  30          2HD       LYS  30   0.522  12.385   9.131
  559   2HD   LYS  30          1HD       LYS  30  -1.082  11.855   9.645
  560   1HE   LYS  30          2HE       LYS  30   0.528  11.843  11.518
  561   2HE   LYS  30          1HE       LYS  30  -0.076  10.209  11.189
  562   1HZ   LYS  30          2HZ       LYS  30   1.922   9.785   9.910
  563   2HZ   LYS  30          1HZ       LYS  30   2.495  11.347  10.248
  564   3HZ   LYS  30          3HZ       LYS  30   2.298  10.224  11.507
  565    H    LYS  31           H        LYS  31  -1.219   6.264   8.099
  566    HA   LYS  31           HA       LYS  31  -3.091   5.460  10.096
  567   1HB   LYS  31          2HB       LYS  31  -2.130   4.082   7.569
  568   2HB   LYS  31          1HB       LYS  31  -3.335   3.363   8.641
  569   1HG   LYS  31          2HG       LYS  31  -4.521   4.430   6.860
  570   2HG   LYS  31          1HG       LYS  31  -4.770   5.404   8.313
  571   1HD   LYS  31          2HD       LYS  31  -3.066   7.030   7.521
  572   2HD   LYS  31          1HD       LYS  31  -2.792   6.026   6.086
  573   1HE   LYS  31          2HE       LYS  31  -4.234   7.935   5.530
  574   2HE   LYS  31          1HE       LYS  31  -5.153   6.420   5.381
  575   1HZ   LYS  31          2HZ       LYS  31  -6.051   6.798   7.576
  576   2HZ   LYS  31          1HZ       LYS  31  -5.176   8.246   7.713
  577   3HZ   LYS  31          3HZ       LYS  31  -6.404   8.102   6.546
  578    H    CYS  32           H        CYS  32  -0.439   3.460   8.785
  579    HA   CYS  32           HA       CYS  32  -0.281   2.053  11.393
  580   1HB   CYS  32          2HB       CYS  32  -0.683   0.714   9.313
  581   2HB   CYS  32          1HB       CYS  32   0.925   1.199   8.738
  582    H    ASP  33           H        ASP  33   0.692   4.193  12.005
  583    HA   ASP  33           HA       ASP  33   3.418   4.792  11.367
  584   1HB   ASP  33          2HB       ASP  33   3.293   6.231  13.430
  585   2HB   ASP  33          1HB       ASP  33   1.982   6.518  12.278
  586    H    LYS  34           H        LYS  34   5.010   4.984  13.247
  587    HA   LYS  34           HA       LYS  34   5.220   2.473  14.806
  588   1HB   LYS  34          2HB       LYS  34   7.203   3.510  12.741
  589   2HB   LYS  34          1HB       LYS  34   7.646   2.303  13.941
  590   1HG   LYS  34          2HG       LYS  34   5.521   2.023  11.773
  591   2HG   LYS  34          1HG       LYS  34   7.113   1.264  11.785
  592   1HD   LYS  34          2HD       LYS  34   4.806   0.651  13.679
  593   2HD   LYS  34          1HD       LYS  34   5.387  -0.362  12.360
  594   1HE   LYS  34          2HE       LYS  34   6.253  -1.354  14.337
  595   2HE   LYS  34          1HE       LYS  34   7.629  -0.486  13.626
  596   1HZ   LYS  34          2HZ       LYS  34   7.192   1.346  15.129
  597   2HZ   LYS  34          1HZ       LYS  34   5.878   0.509  15.797
  598   3HZ   LYS  34          3HZ       LYS  34   7.453  -0.096  15.984
   
  No H/Q in entry =         598
   
  No H/Q in entry =         598