*HEADER   METAL-BINDING PROTEIN                   06-JAN-95   1CTL    
*COMPND   MOLECULE: AVIAN CYSTEINE RICH PROTEIN;                      
*COMPND  2 DOMAIN: C-TERMINAL LIM DOMAIN;                             
*COMPND  3 SYNONYMS: LIM2, ZN-LIM2, CCRP-LIM2, CRP-LIM2,              
*COMPND  4 ZN(II)-CRP-LIM2;                                           
*COMPND  5 EXPERIMENT: NMR, 18 STRUCTURES                             
*SOURCE   MOLECULE: AVIAN CYSTEINE RICH PROTEIN;                      
*SOURCE  2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE  3 ORGANISM_COMMON: CHICKEN; TISSUE: SMOOTH MUSCLE;           
*SOURCE  4 ORGAN: GIZZARD;                                            
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                       
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PAED4-LIM2                      
*KEYWDS   LIM DOMAIN CONTAINING PROTEINS                              
*EXPDTA   NMR, 18 STRUCTURES                                          
*AUTHOR   G.C.PEREZ-ALVARADO,C.MILES,J.W.MICHELSEN,H.A.LOUIS,         
*AUTHOR  2 D.R.WINGE,M.C.BECKERLE,M.F.SUMMERS                         
*REVDAT  1   03-JUN-95 1CTL    0                                      

References:
G.C. Perez-Alvarado, C. Miles, J.W. Michelsen, H. A. Louis,
D. R. Winge, M.C. Beckerle and M.F. Summers (1994) Structure
of the carboxy-terminal LIM domain from the Cysteine Rich Protein CRP
Nature Struct. Biol., 1, p388-398.

The solution NMR 3D structure of the C-terminal LIM domain
from CRP (LIM2) is based on 239 distance restraints derived 
from the NOE data and 17 metal restraints. A complete list
of experimental restraints follows:

List of residues with corresponding numbering in the sequence
of the MODELS:

Met-1  Ala-2  Gln-3  Lys-4  Val-5  Gly-6  Gly-7  Ser-8  Asp-9  Gly-10  
Cys-11 Pro-12 Arg-13 Cys-14 Gly-15 Gln-16 Ala-17 Val-18 Tyr-19 Ala-20 
Ala-21 Glu-22 Lys-23 Val-24 Ile-25 Gly-26 Ala-27 Gly-28 Lys-29 Ser-30 
Trp-31 His-32 Lys-33 Ser-34 Cys-35 Phe-36 Arg-37 Cys-38 Ala-39 Lys-40 
Cys-41 Gly-42 Lys-43 Ser-44 Leu-45 Glu-46 Ser-47 Thr-48 Thr-49 Leu-50 
Ala-51 Asp-52 Lys-53 Asp-54 Gly-55 Glu-56 Ile-57 Tyr-58 Cys-59 Lys-60 
Gly-61 Cys-62 Tyr-63 Ala-64 Lys-65 Asn-66 Phe-67 Gly-68 Pro-69 Lys-70 
Gly-71 Phe-72 Gly-73 Phe-74 Gly-75 Gln-76 Gly-77 Ala-78 Gly-79 Ala-80 
Leu-81 Ile-82 His-83 Ser-84 Gln-85

*NOTE: Met-1 is removed post-translationally, but eventhough it is in
the MODELS, it was not employed for structure calculations.
The correct sequencing is found in the referenced paper, using the
numbering corresponding to the residues within the sequence of CRP.


NOE Interproton distance restraints. Distances are in Angstroms (A)

Strong 1.8 - 2.7 A
Medium 1.8 - 3.3 A
Weak   1.8 - 5.0 A


Metal restraints used to enforce Zn-S and Zn-N bond distances,
and to ensure proper hybridization of the His-Nd and Cys-Sg atoms
(distances in A)

LB= Lower Bound
UB= Upper Bound

 ATOM 1  ATOM 2  distance

 zn[86]  sg[11]   2.3
 zn[86]  sg[14]   2.3
 zn[86]  sg[35]   2.3
 zn[86]  nd1[32]  2.0
 zn[87]  sg[38]   2.3
 zn[87]  sg[41]   2.3
 zn[87]  sg[59]   2.3
 zn[87]  sg[62]   2.3
 zn[86]  cb[11]   3.3581
 zn[86]  cb[14]   3.3581
 zn[86]  cb[35]   3.3581
 zn[87]  cb[38]   3.3581
 zn[87]  cb[41]   3.3581
 zn[87]  cb[59]   3.3581
 zn[87]  cb[62]   3.3581

 ATOM 1  ATOM 2   LB    UB

 zn[86]  ne2[32]  4.13  #
 zn[86]  cd2[32]  4.13  #


_________H-BOND RESTRAINTS___________

----------NH-S HBONDS--------------

 ATOM 1  ATOM 2   LB    UB

 hn[13]  sg[11]   #     3.2
 hn[14]  sg[11]   #     3.2
 hn[16]  sg[14]   #     3.2
 hn[32]  sg[11]   #     3.2 
 hn[40]  sg[38]   #     3.2
 hn[41]  sg[38]   #     3.2
 hn[43]  sg[41]   #     3.2
 hn[59]  sg[38]   #     3.2
 hn[62]  sg[59]   #     3.2

----------NH-O HBONDS--------------

 ATOM 1  ATOM 2   LB    UB

 hn[9]   o[18]    #     2.2
 hn[11]  o[16]    #     2.2
 hn[15]  o[11]    #     2.2
 hn[18]  o[9]     #     2.2
 hn[24]  o[31]    #     2.2
 hn[26]  o[29]    #     2.2
 hn[29]  o[26]    #     2.2
 hn[31]  o[24]    #     2.2
 hn[35]  o[32]    #     2.2 
 hn[38]  o[43]    #     2.2
 hn[42]  o[38]    #     2.2
 hn[45]  o[36]    #     2.2
 hn[51]  o[58]    #     2.2
 hn[53]  o[56]    #     2.2
 hn[56]  o[53]    #     2.2
 hn[58]  o[51]    #     2.2
 hn[60]  o[49]    #     2.2
 hn[63]  o[59]    #     2.2
 hn[64]  o[60]    #     2.2
 hn[65]  o[61]    #     2.2
 hn[66]  o[62]    #     2.2
 hn[67]  o[64]    #     2.2
 


__________ NOE RESTRAINTS_____________

       Strong 1.8 - 2.7
       Medium 1.8 - 3.3
       Weak   1.8 - 5.0
                   +0.5 for methyls
     
       LB= Lower Bound
       UB= Upper Bound

 ATOM 1  ATOM 2    LB  UB

 hn[11]  har[10]   1.8 2.7
 hn[11]  has[10]   1.8 2.7
 hn[11]  ha[17]    1.8 5.0
 hn[11]  hn[16]    1.8 5.0
 ha[11]  ha[31]    1.8 3.3
 hn[11]  hbr[11]   1.8 2.7
 hn[11]  hbs[11]   1.8 2.7
 hn[11]  hn[15]    1.8 5.0
 hdr[12] ha[11]    1.8 2.7 
 hds[12] ha[11]    1.8 2.7
 hn[13]  hn[14]    1.8 2.7
 hn[13]  hn[15]    1.8 5.0 
 hn[14]  hn[15]    1.8 2.7
 hn[14]  hn[16]    1.8 5.0 
 hn[14]  hbr[11]   1.8 3.3
 hn[15]  hn[16]    1.8 2.7
 hn[15]  hbr[11]   1.8 3.3
 hn[16]  hbr[11]   1.8 3.3
 hn[17]  ha[16]    1.8 2.7
 ha[17]  har[10]   1.8 2.7
 ha[17]  has[10]   1.8 2.7
 ha[17]  hbs[11]   1.8 5.0
 ha[17]  mgs[18]   1.8 3.8
 hn[18]  ha[17]    1.8 2.7
 hn[18]  har[10]   1.8 5.0
 ha[18]  mgr[18]   1.8 3.2
 ha[18]  mgs[18]   1.8 3.2
 mgs[18] hd2[32]   1.8 3.8
 mgs[18] he1[32]   1.8 3.8
 mgr[18] hd2[32]   1.8 3.8
 hn[19]  ha[18]    1.8 2.7
 hn[19]  mgr[18]   1.8 3.2
 hn[22]  hn[23]    1.8 2.7
 hn[22]  hb[18]    1.8 3.3
 hn[22]  mgs[18]   1.8 3.8
 hn[22]  mgr[18]   1.8 5.5
 hn[23]  ha[22]    1.8 3.3
 hn[24]  ha[23]    1.8 2.7
 hn[24]  hn[31]    1.8 5.0
 mgr[24] hd1[31]   1.8 5.5 
 mgs[24] hd1[31]   1.8 5.5
 mgr[24] ha[33]    1.8 5.5 
 mgs[24] ha[33]    1.8 5.5
 mgr[24] ha[24]    1.8 5.5 
 mgs[24] ha[24]    1.8 5.5
 mgr[24] hn[25]    1.8 5.5
 mgs[24] hn[25]    1.8 5.5
 mgr[24] hn[33]    1.8 5.5 
 mgs[24] hn[33]    1.8 5.5
 mgr[24] ha[23]    1.8 5.5 
 mgs[24] ha[23]    1.8 5.5 
 mgr[24] hd1[36]   1.8 5.5
 mgs[24] hd1[36]   1.8 5.5
 mgr[24] he1[36]   1.8 5.5
 mgs[24] he1[36]   1.8 5.5
 mgr[24] hz[36]    1.8 5.5
 mgs[24] hz[36]    1.8 5.5
 hn[25]  ha[24]    1.8 2.7
 ha[25]  ha[30]    1.8 2.7
 ha[25]  hd1[31]   1.8 2.7
 hn[26]  ha[25]    1.8 2.7 
 hn[26]  ha[30]    1.8 5.0
 hn[26]  hn[29]    1.8 5.0
 hn[28]  hn[29]    1.8 5.0
 hn[29]  hz2[31]   1.8 5.0
 hn[30]  ha[29]    1.8 2.7
 ha[30]  hd1[31]   1.8 2.7
 hn[31]  ha[30]    1.8 2.7
 hn[31]  ha[25]    1.8 5.0
 ha[31]  he3[31]   1.8 5.0
 hbr[31] he3[31]   1.8 3.3
 hn[31]  hd1[31]   1.8 2.7
 hbs[31] hd1[31]   1.8 3.3
 he1[31] ha[25]    1.8 5.0
 he1[31] ha[30]    1.8 5.0
 he1[31] hn[29]    1.8 5.0
 he1[31] hn[31]    1.8 5.0 
 he1[31] has[26]   1.8 5.0
 he1[31] hn[26]    1.8 5.0
 he1[31] he1[36]   1.8 5.0 
 hd1[31] he1[36]   1.8 5.0
 hd1[31] hd1[36]   1.8 5.0
 he1[31] hbr[29]   1.8 2.7 
 he1[31] hbs[29]   1.8 2.7 
 he3[31] hd2[36]   1.8 5.0
 hz3[31] hd2[36]   1.8 5.0
 hh2[31] mg2[57]   1.8 3.8
 ha[31]  hds[12]   1.8 5.0
 hn[32]  ha[31]    1.8 2.7
 ha[32]  ha[23]    1.8 3.3
 hd2[32] hn[33]    1.8 5.0
 hd2[32] hbr[22]   1.8 3.3 
 hd2[32] hgr[22]   1.8 3.3
 he1[32] hbr[16]   1.8 2.7
 he1[32] hbs[16]   1.8 2.7
 he1[32] hbr[11]   1.8 3.3
 hn[32]  hbs[35]   1.8 3.3
 hn[32]  hbs[31]   1.8 3.3
 hn[33]  ha[32]    1.8 3.3 
 hn[33]  ha[23]    1.8 5.0
 hn[33]  hbr[32]   1.8 3.3
 hn[35]  hn[36]    1.8 2.7
 hn[35]  hn[32]    1.8 5.0
 hn[35]  ha[33]    1.8 5.0
 hn[35]  hbs[32]   1.8 3.3
 ha[36]  he3[31]   1.8 5.0
 hd1[36] mdr[50]   1.8 5.5
 hd1[36] mds[50]   1.8 5.5
 he1[36] mdr[50]   1.8 5.5
 he1[36] mds[50]   1.8 5.5
 hn[37]  ha[36]    1.8 2.7
 ha[37]  ha[44]    1.8 2.7
 hn[38]  ha[37]    1.8 2.7
 hn[38]  ha[44]    1.8 5.0
 hn[38]  hn[42]    1.8 5.0
 hn[38]  hn[43]    1.8 5.0
 ha[38]  ha[58]    1.8 2.7
 hn[38]  hbr[38]   1.8 2.7
 hn[38]  hbs[38]   1.8 2.7
 hn[38]  hn[43]    1.8 5.0
 hn[38]  hn[43]    1.8 5.0
 hn[39]  ha[38]    1.8 2.7
 hn[39]  hn[40]    1.8 3.3
 hn[40]  hn[41]    1.8 2.7
 hn[41]  hn[42]    1.8 2.7
 hn[42]  hn[43]    1.8 2.7
 hn[42]  hbr[38]   1.8 3.3
 hn[43]  hbr[38]   1.8 5.0
 hn[44]  ha[43]    1.8 2.7
 hn[45]  ha[44]    1.8 2.7
 hn[45]  ha[37]    1.8 5.0
 mdr[45] hd2[36]   1.8 5.5 
 mdr[45] he2[36]   1.8 5.5
 mdr[45] hn[38]    1.8 5.5
 mdr[45] ha[50]    1.8 5.5
 hbr[45] hn[46]    1.8 2.7
 mdr[45] hn[46]    1.8 3.8
 hg[45]  hn[38]    1.8 3.3
 mdr[45] hn[38]    1.8 5.5
 mds[45] hn[38]    1.8 5.5
 mdr[45] hn[60]    1.8 3.8
 mdr[45] ha[59]    1.8 3.8
 mdr[45] hbr[59]   1.8 3.8  
 mdr[45] hbs[59]   1.8 3.8
 mdr[45] hbs[38]   1.8 3.8 
 mdr[45] hbr[38]   1.8 5.5 
 mds[45] hbr[38]   1.8 5.5
 mds[45] has[61]   1.8 3.2
 hn[46]  ha[45]    1.8 2.7
 ha[50]  ha[59]    1.8 3.3
 hn[50]  hg[50]    1.8 3.3
 ha[50]  hn[60]    1.8 5.0
 hn[51]  ha[50]    1.8 2.7
 hn[51]  hn[58]    1.8 5.0
 hn[51]  mdr[50]   1.8 3.8
 hn[51]  ha[59]    1.8 5.0
 hn[52]  ha[51]    1.8 2.7
 ha[52]  ha[57]    1.8 2.7
 ha[52]  hbr[52]   1.8 2.7
 ha[52]  hbs[52]   1.8 2.7
 hn[52]  mdr[50]   1.8 3.8
 hn[53]  ha[52]    1.8 2.7
 hn[53]  ha[57]    1.8 5.0
 hn[53]  hn[56]    1.8 5.0
 hn[55]  ha[54]    1.8 5.0
 hn[55]  hn[56]    1.8 5.0
 hn[55]  mb[27]    1.8 5.5
 har[55] mb[27]    1.8 3.8
 hn[57]  ha[56]    1.8 2.7
 md1[57] hd2[36]   1.8 3.8
 md1[57] he2[36]   1.8 3.8 
 md1[57] hz2[31]   1.8 5.5
 md1[57] hh2[31]   1.8 5.5
 md1[57] hn[37]    1.8 3.2
 md1[57] hn[39]    1.8 5.5
 mg2[57] ha[52]    1.8 3.8
 mg2[57] ha[56]    1.8 3.8
 hg1s[57] ha[56]   1.8 5.0
 mg2[57] hn[58]    1.8 3.8
 hb[57]  hn[58]    1.8 3.3
 md1[57] ha[36]    1.8 3.2
 hn[58]  ha[57]    1.8 2.7
 hn[58]  ha[52]    1.8 5.0
 hn[59]  ha[58]    1.8 2.7
 hn[59]  ha[38]    1.8 3.3
 hn[59]  hbs[62]   1.8 5.0
 ha[59]  hbr[59]   1.8 2.7
 ha[59]  hbs[59]   1.8 2.7
 hbr[59] hn[62]    1.8 5.0
 hn[59]  hn[61]    1.8 5.0
 hn[60]  ha[59]    1.8 2.7
 hn[60]  hn[61]    1.8 2.7
 ha[60]  hbr[63]   1.8 2.7
 hn[60]  hn[62]    1.8 5.0
 ha[60]  hn[62]    1.8 5.0
 hn[61]  hn[62]    1.8 5.0 
 hn[62]  hn[63]    1.8 2.7
 ha[62]  hbr[62]   1.8 3.3
 hn[62]  hbs[62]   1.8 3.3
 ha[62]  hbr[65]   1.8 2.7
 hn[62]  hn[64]    1.8 5.0
 ha[62]  hn[64]    1.8 5.0
 hn[63]  hn[64]    1.8 2.7
 hn[63]  hbs[62]   1.8 3.3
 hn[63]  ha[60]    1.8 3.3
 hn[63]  hn[65]    1.8 5.0
 hn[64]  hn[65]    1.8 2.7 
 hn[64]  ha[60]    1.8 5.0


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  605 H/Q atoms
  Start of MODEL    0
  Start of MODEL    1
    1   1H    MET   1           HNC      MET   1 -17.407  -0.941 -16.278
    2   2H    MET   1           HNB      MET   1 -16.618   0.294 -17.000
    3   3H    MET   1           HN       MET   1 -15.804  -0.740 -16.032
    4    HA   MET   1           HA       MET   1 -16.955  -0.039 -14.121
    5   1HB   MET   1           HBR      MET   1 -16.198   2.386 -14.116
    6   2HB   MET   1           HBS      MET   1 -14.958   1.157 -14.494
    7   1HG   MET   1           HGS      MET   1 -15.380   1.610 -16.951
    8   2HG   MET   1           HGR      MET   1 -16.436   2.952 -16.452
    9   1HE   MET   1           HME      MET   1 -14.978   4.170 -17.981
   10   2HE   MET   1           HME      MET   1 -14.906   5.463 -16.758
   11   3HE   MET   1           HME      MET   1 -13.418   4.934 -17.582
   12    H    ALA   2           HN       ALA   2 -19.182  -0.505 -14.502
   13    HA   ALA   2           HA       ALA   2 -20.760   1.936 -15.176
   14   1HB   ALA   2           HMB      ALA   2 -21.186  -0.116 -16.593
   15   2HB   ALA   2           HMB      ALA   2 -21.816  -0.895 -15.120
   16   3HB   ALA   2           HMB      ALA   2 -22.598   0.574 -15.755
   17    H    GLN   3           HN       GLN   3 -22.385   2.522 -13.747
   18    HA   GLN   3           HA       GLN   3 -23.463   2.777 -11.752
   19   1HB   GLN   3           HBS      GLN   3 -24.077   0.413 -11.826
   20   2HB   GLN   3           HBR      GLN   3 -22.516  -0.019 -11.075
   21   1HG   GLN   3           HGS      GLN   3 -23.277   0.411  -9.032
   22   2HG   GLN   3           HGR      GLN   3 -23.925   1.999  -9.533
   23   1HE2  GLN   3           HE2      GLN   3 -27.233   0.990  -9.857
   24   2HE2  GLN   3           HE2      GLN   3 -26.041   2.204 -10.183
   25    H    LYS   4           HN       LYS   4 -22.961   3.580  -9.744
   26    HA   LYS   4           HA       LYS   4 -20.029   3.801  -9.231
   27   1HB   LYS   4           HBS      LYS   4 -22.096   5.999  -8.928
   28   2HB   LYS   4           HBR      LYS   4 -20.321   6.126  -8.766
   29   1HG   LYS   4           HGR      LYS   4 -20.074   6.497 -10.959
   30   2HG   LYS   4           HGS      LYS   4 -21.057   5.062 -11.374
   31   1HD   LYS   4           HDS      LYS   4 -22.595   6.411 -12.160
   32   2HD   LYS   4           HDR      LYS   4 -22.938   6.842 -10.508
   33   1HE   LYS   4           HES      LYS   4 -20.771   8.295 -11.968
   34   2HE   LYS   4           HER      LYS   4 -22.490   8.692 -12.248
   35   1HZ   LYS   4           HZA      LYS   4 -22.701   9.038  -9.877
   36   2HZ   LYS   4           HZB      LYS   4 -21.114   8.722  -9.649
   37   3HZ   LYS   4           HZC      LYS   4 -21.570  10.032 -10.511
   38    H    VAL   5           HN       VAL   5 -19.405   4.323  -7.105
   39    HA   VAL   5           HA       VAL   5 -19.370   3.919  -4.863
   40    HB   VAL   5           HB       VAL   5 -20.737   5.996  -5.264
   41   1HG1  VAL   5           HMG      VAL   5 -23.020   4.103  -4.697
   42   2HG1  VAL   5           HMG      VAL   5 -23.123   5.853  -4.389
   43   3HG1  VAL   5           HMG      VAL   5 -22.829   5.256  -6.040
   44   1HG2  VAL   5           HMG      VAL   5 -20.956   4.393  -2.720
   45   2HG2  VAL   5           HMG      VAL   5 -19.808   5.689  -3.135
   46   3HG2  VAL   5           HMG      VAL   5 -21.522   6.076  -2.847
   47    H    GLY   6           HN       GLY   6 -19.941   1.615  -6.295
   48   1HA   GLY   6           HAR      GLY   6 -20.014  -0.427  -4.964
   49   2HA   GLY   6           HAS      GLY   6 -21.521   0.166  -4.216
   50    H    GLY   7           HN       GLY   7 -20.774  -2.283  -5.845
   51   1HA   GLY   7           HAR      GLY   7 -22.488  -3.665  -6.729
   52   2HA   GLY   7           HAS      GLY   7 -23.284  -2.225  -7.416
   53    H    SER   8           HN       SER   8 -20.955  -4.739  -7.884
   54    HA   SER   8           HA       SER   8 -19.683  -5.424  -9.656
   55   1HB   SER   8           HBS      SER   8 -21.575  -5.081 -11.116
   56   2HB   SER   8           HBR      SER   8 -21.221  -3.333 -11.226
   57    HG   SER   8           HG       SER   8 -19.785  -3.605 -12.654
   58    H    ASP   9           HN       ASP   9 -17.629  -5.032  -9.480
   59    HA   ASP   9           HA       ASP   9 -16.504  -2.367  -9.878
   60   1HB   ASP   9           HBR      ASP   9 -15.430  -2.590  -7.516
   61   2HB   ASP   9           HBS      ASP   9 -17.039  -1.848  -7.750
   62    H    GLY  10           HN       GLY  10 -14.741  -2.597 -10.958
   63   1HA   GLY  10           HAR      GLY  10 -13.606  -5.327 -11.127
   64   2HA   GLY  10           HAS      GLY  10 -13.595  -4.085 -12.407
   65    H    CYS  11           HN       CYS  11 -11.300  -5.408 -11.883
   66    HA   CYS  11           HA       CYS  11  -9.692  -3.656 -10.101
   67   1HB   CYS  11           HBS      CYS  11 -10.172  -6.122  -9.535
   68   2HB   CYS  11           HBR      CYS  11  -9.045  -6.495 -10.870
   69    HA   PRO  12           HA       PRO  12  -7.510  -2.596 -13.848
   70   1HB   PRO  12           HBS      PRO  12  -6.227  -0.611 -12.552
   71   2HB   PRO  12           HBR      PRO  12  -7.529  -0.415 -13.533
   72   1HG   PRO  12           HGS      PRO  12  -7.396  -0.317 -10.745
   73   2HG   PRO  12           HGR      PRO  12  -8.584   0.297 -11.744
   74   1HD   PRO  12           HDS      PRO  12  -8.836  -1.907 -10.246
   75   2HD   PRO  12           HDR      PRO  12  -9.817  -1.507 -11.515
   76    NH1  ARG  13           NH1      ARG  13   0.151  -4.097 -10.905
   77    NH2  ARG  13           NH2      ARG  13  -0.618  -2.406 -12.256
   78    H    ARG  13           HN       ARG  13  -6.618  -3.808 -10.910
   79    HA   ARG  13           HA       ARG  13  -3.767  -3.524 -11.267
   80   1HB   ARG  13           HBR      ARG  13  -5.560  -4.154  -9.141
   81   2HB   ARG  13           HBS      ARG  13  -4.387  -5.494  -9.289
   82   1HG   ARG  13           HGS      ARG  13  -3.769  -2.551  -8.873
   83   2HG   ARG  13           HGR      ARG  13  -3.566  -3.876  -7.692
   84   1HD   ARG  13           HDS      ARG  13  -1.441  -3.699  -8.455
   85   2HD   ARG  13           HDR      ARG  13  -2.087  -4.897  -9.611
   86    HE   ARG  13           HE       ARG  13  -2.394  -2.177 -10.539
   87   1HH1  ARG  13           HH1      ARG  13   0.058  -4.670 -10.091
   88   2HH1  ARG  13           HH1      ARG  13   0.935  -4.217 -11.514
   89   1HH2  ARG  13           HH2      ARG  13  -1.294  -1.699 -12.462
   90   2HH2  ARG  13           HH2      ARG  13   0.171  -2.536 -12.856
   91    H    CYS  14           HN       CYS  14  -5.886  -6.406 -10.962
   92    HA   CYS  14           HA       CYS  14  -3.682  -8.069 -12.030
   93   1HB   CYS  14           HBS      CYS  14  -5.108  -9.976 -11.385
   94   2HB   CYS  14           HBR      CYS  14  -4.621  -8.925 -10.026
   95    H    GLY  15           HN       GLY  15  -6.631  -6.551 -12.927
   96   1HA   GLY  15           HAR      GLY  15  -7.245  -6.146 -15.186
   97   2HA   GLY  15           HAS      GLY  15  -6.241  -7.528 -15.698
   98    H    GLN  16           HN       GLN  16  -8.185  -8.018 -12.892
   99    HA   GLN  16           HA       GLN  16 -10.284  -9.377 -14.500
  100   1HB   GLN  16           HBR      GLN  16  -9.024 -10.080 -11.933
  101   2HB   GLN  16           HBS      GLN  16 -10.809 -10.152 -11.946
  102   1HG   GLN  16           HGS      GLN  16 -10.726 -12.114 -12.968
  103   2HG   GLN  16           HGR      GLN  16  -9.868 -11.362 -14.344
  104   1HE2  GLN  16           HE2      GLN  16  -7.634 -13.072 -11.313
  105   2HE2  GLN  16           HE2      GLN  16  -9.138 -12.289 -10.963
  106    H    ALA  17           HN       ALA  17 -12.472  -9.180 -13.637
  107    HA   ALA  17           HA       ALA  17 -12.905  -6.676 -12.090
  108   1HB   ALA  17           HMB      ALA  17 -13.563  -6.475 -14.518
  109   2HB   ALA  17           HMB      ALA  17 -14.793  -7.726 -14.207
  110   3HB   ALA  17           HMB      ALA  17 -14.857  -6.175 -13.331
  111    H    VAL  18           HN       VAL  18 -14.595  -6.741 -10.612
  112    HA   VAL  18           HA       VAL  18 -15.024  -9.508  -9.654
  113    HB   VAL  18           HB       VAL  18 -15.069  -7.007  -7.974
  114   1HG1  VAL  18           HMG      VAL  18 -15.328  -9.836  -7.448
  115   2HG1  VAL  18           HMG      VAL  18 -13.946  -9.148  -6.561
  116   3HG1  VAL  18           HMG      VAL  18 -15.569  -8.444  -6.366
  117   1HG2  VAL  18           HMG      VAL  18 -12.695  -8.475  -9.054
  118   2HG2  VAL  18           HMG      VAL  18 -12.955  -6.731  -8.810
  119   3HG2  VAL  18           HMG      VAL  18 -12.633  -7.786  -7.413
  120    OH   TYR  19           OH       TYR  19 -22.902  -8.503 -14.005
  121    H    TYR  19           HN       TYR  19 -16.942 -10.262  -9.033
  122    HA   TYR  19           HA       TYR  19 -19.280  -8.435  -9.271
  123   1HB   TYR  19           HBS      TYR  19 -18.699 -11.035 -10.375
  124   2HB   TYR  19           HBR      TYR  19 -20.110 -11.150  -9.287
  125    HD1  TYR  19           HD1      TYR  19 -18.789  -9.271 -12.249
  126    HD2  TYR  19           HD2      TYR  19 -22.216 -10.369  -9.982
  127    HE1  TYR  19           HE1      TYR  19 -20.240  -8.383 -14.023
  128    HE2  TYR  19           HE2      TYR  19 -23.676  -9.513 -11.758
  129    HH   TYR  19           HH       TYR  19 -23.190  -9.429 -14.497
  130    H    ALA  20           HN       ALA  20 -17.922 -11.165  -7.415
  131    HA   ALA  20           HA       ALA  20 -19.783 -11.061  -5.232
  132   1HB   ALA  20           HMB      ALA  20 -18.003 -12.846  -5.881
  133   2HB   ALA  20           HMB      ALA  20 -16.896 -11.827  -4.928
  134   3HB   ALA  20           HMB      ALA  20 -18.350 -12.516  -4.165
  135    H    ALA  21           HN       ALA  21 -17.291  -8.976  -6.336
  136    HA   ALA  21           HA       ALA  21 -16.669  -6.885  -5.624
  137   1HB   ALA  21           HMB      ALA  21 -19.153  -6.754  -4.991
  138   2HB   ALA  21           HMB      ALA  21 -18.610  -7.097  -3.329
  139   3HB   ALA  21           HMB      ALA  21 -18.016  -5.648  -4.181
  140    H    GLU  22           HN       GLU  22 -14.639  -7.561  -5.103
  141    HA   GLU  22           HA       GLU  22 -14.142  -7.857  -2.171
  142   1HB   GLU  22           HBR      GLU  22 -13.255  -9.491  -4.157
  143   2HB   GLU  22           HBS      GLU  22 -12.094  -8.283  -4.250
  144   1HG   GLU  22           HGR      GLU  22 -10.883  -9.172  -2.548
  145   2HG   GLU  22           HGS      GLU  22 -12.272  -8.751  -1.510
  146    H    LYS  23           HN       LYS  23 -14.912  -5.515  -3.790
  147    HA   LYS  23           HA       LYS  23 -12.590  -4.186  -4.755
  148   1HB   LYS  23           HBR      LYS  23 -14.057  -2.313  -5.216
  149   2HB   LYS  23           HBS      LYS  23 -14.829  -3.849  -5.705
  150   1HG   LYS  23           HGR      LYS  23 -16.633  -3.285  -4.517
  151   2HG   LYS  23           HGS      LYS  23 -15.644  -3.337  -3.030
  152   1HD   LYS  23           HDS      LYS  23 -15.270  -1.075  -3.006
  153   2HD   LYS  23           HDR      LYS  23 -15.519  -0.904  -4.721
  154   1HE   LYS  23           HES      LYS  23 -17.455   0.026  -4.060
  155   2HE   LYS  23           HER      LYS  23 -17.975  -1.683  -4.076
  156   1HZ   LYS  23           HZC      LYS  23 -16.877  -0.413  -1.676
  157   2HZ   LYS  23           HZA      LYS  23 -18.471  -0.360  -2.028
  158   3HZ   LYS  23           HZB      LYS  23 -17.736  -1.798  -1.786
  159    H    VAL  24           HN       VAL  24 -11.206  -2.870  -3.819
  160    HA   VAL  24           HA       VAL  24 -12.080  -1.371  -1.404
  161    HB   VAL  24           HB       VAL  24  -9.565  -0.903  -1.165
  162   1HG1  VAL  24           HMG      VAL  24 -11.248  -2.840  -0.049
  163   2HG1  VAL  24           HMG      VAL  24  -9.726  -3.691  -0.408
  164   3HG1  VAL  24           HMG      VAL  24  -9.711  -2.228   0.607
  165   1HG2  VAL  24           HMG      VAL  24  -9.539  -3.100  -3.178
  166   2HG2  VAL  24           HMG      VAL  24  -8.441  -1.714  -2.964
  167   3HG2  VAL  24           HMG      VAL  24  -8.314  -3.125  -1.888
  168    H    ILE  25           HN       ILE  25 -10.481   0.747  -1.466
  169    HA   ILE  25           HA       ILE  25 -10.370   1.887  -4.193
  170    HB   ILE  25           HB       ILE  25 -11.627   3.936  -3.216
  171   1HG1  ILE  25           HG1      ILE  25 -13.397   2.587  -1.488
  172   2HG1  ILE  25           HG1      ILE  25 -11.761   2.078  -0.983
  173   1HG2  ILE  25           HMG      ILE  25 -12.487   1.908  -4.767
  174   2HG2  ILE  25           HMG      ILE  25 -13.631   1.769  -3.405
  175   3HG2  ILE  25           HMG      ILE  25 -13.493   3.305  -4.301
  176   1HD1  ILE  25           HMD      ILE  25 -11.610   4.860  -1.378
  177   2HD1  ILE  25           HMD      ILE  25 -13.143   4.568  -0.513
  178   3HD1  ILE  25           HMD      ILE  25 -11.605   3.971   0.169
  179    H    GLY  26           HN       GLY  26  -9.174   3.820  -4.330
  180   1HA   GLY  26           HAR      GLY  26  -8.122   5.104  -1.970
  181   2HA   GLY  26           HAS      GLY  26  -6.844   4.244  -2.869
  182    H    ALA  27           HN       ALA  27  -8.077   7.181  -2.445
  183    HA   ALA  27           HA       ALA  27  -8.059   9.160  -3.599
  184   1HB   ALA  27           HMB      ALA  27  -6.203   7.485  -5.141
  185   2HB   ALA  27           HMB      ALA  27  -7.008   8.759  -6.092
  186   3HB   ALA  27           HMB      ALA  27  -6.080   9.188  -4.633
  187    H    GLY  28           HN       GLY  28  -8.195   7.126  -6.493
  188   1HA   GLY  28           HAS      GLY  28 -11.123   7.014  -6.450
  189   2HA   GLY  28           HAR      GLY  28 -10.429   7.954  -7.797
  190    H    LYS  29           HN       LYS  29  -8.540   5.360  -6.484
  191    HA   LYS  29           HA       LYS  29  -8.955   3.701  -8.896
  192   1HB   LYS  29           HBS      LYS  29  -6.938   3.824  -6.701
  193   2HB   LYS  29           HBR      LYS  29  -7.310   2.219  -7.391
  194   1HG   LYS  29           HGR      LYS  29  -6.281   4.670  -8.872
  195   2HG   LYS  29           HGS      LYS  29  -5.400   3.149  -8.550
  196   1HD   LYS  29           HDS      LYS  29  -6.020   2.550 -10.581
  197   2HD   LYS  29           HDR      LYS  29  -7.535   2.165  -9.813
  198   1HE   LYS  29           HES      LYS  29  -8.273   4.545 -10.340
  199   2HE   LYS  29           HER      LYS  29  -6.842   4.602 -11.408
  200   1HZ   LYS  29           HZA      LYS  29  -8.040   2.288 -12.053
  201   2HZ   LYS  29           HZB      LYS  29  -9.321   3.268 -11.786
  202   3HZ   LYS  29           HZC      LYS  29  -8.184   3.688 -12.882
  203    H    SER  30           HN       SER  30  -9.179   1.326  -8.480
  204    HA   SER  30           HA       SER  30 -10.393   0.601  -5.918
  205   1HB   SER  30           HBR      SER  30 -12.004   0.915  -8.282
  206   2HB   SER  30           HBS      SER  30 -11.936  -0.807  -7.808
  207    HG   SER  30           HG       SER  30 -13.489  -0.294  -6.562
  208    CH2  TRP  31           CH2      TRP  31  -3.368   0.892  -6.300
  209    H    TRP  31           HN       TRP  31 -10.005  -1.475  -5.334
  210    HA   TRP  31           HA       TRP  31  -8.299  -3.073  -7.166
  211   1HB   TRP  31           HBS      TRP  31  -7.520  -2.847  -4.301
  212   2HB   TRP  31           HBR      TRP  31  -6.532  -3.160  -5.756
  213    HD1  TRP  31           HD1      TRP  31  -8.536  -0.086  -4.388
  214    HE1  TRP  31           HE1      TRP  31  -7.082   2.009  -4.709
  215    HE3  TRP  31           HE3      TRP  31  -4.440  -2.323  -6.410
  216    HZ2  TRP  31           HZ2      TRP  31  -4.489   2.589  -5.607
  217    HZ3  TRP  31           HZ3      TRP  31  -2.458  -0.952  -6.859
  218    HH2  TRP  31           HH2      TRP  31  -2.497   1.466  -6.539
  219    H    HIS  32           HN       ZHI  32  -7.730  -5.217  -6.012
  220    HA   HIS  32           HA       ZHI  32 -10.167  -6.425  -4.870
  221   1HB   HIS  32           HBS      ZHI  32  -7.521  -7.564  -5.805
  222   2HB   HIS  32           HBR      ZHI  32  -8.566  -8.480  -4.681
  223    HD2  HIS  32           HD2      ZHI  32 -11.299  -8.755  -5.794
  224    HE1  HIS  32           HE1      ZHI  32  -9.707  -9.217  -9.665
  225    HE2  HIS  32           HE2      ZHI  32 -11.688  -9.683  -8.179
  226    H    LYS  33           HN       LYS  33 -10.064  -7.579  -2.865
  227    HA   LYS  33           HA       LYS  33  -8.926  -6.279  -0.691
  228   1HB   LYS  33           HBS      LYS  33 -10.740  -7.933  -0.520
  229   2HB   LYS  33           HBR      LYS  33  -9.577  -9.238  -0.893
  230   1HG   LYS  33           HGR      LYS  33  -8.300  -8.623   1.164
  231   2HG   LYS  33           HGS      LYS  33  -9.567  -7.424   1.551
  232   1HD   LYS  33           HDS      LYS  33 -11.076  -9.640   1.176
  233   2HD   LYS  33           HDR      LYS  33  -9.597 -10.368   1.740
  234   1HE   LYS  33           HES      LYS  33 -11.197  -9.897   3.555
  235   2HE   LYS  33           HER      LYS  33  -9.608  -9.104   3.754
  236   1HZ   LYS  33           HZB      LYS  33 -11.167  -7.341   2.379
  237   2HZ   LYS  33           HZC      LYS  33 -12.153  -7.932   3.540
  238   3HZ   LYS  33           HZA      LYS  33 -10.731  -7.242   3.950
  239    H    SER  34           HN       SER  34  -7.483  -8.530  -2.912
  240    HA   SER  34           HA       SER  34  -5.073  -8.741  -1.175
  241   1HB   SER  34           HBR      SER  34  -6.699 -10.791  -1.443
  242   2HB   SER  34           HBS      SER  34  -5.867 -10.962  -3.015
  243    HG   SER  34           HG       SER  34  -4.585 -10.622  -0.433
  244    H    CYS  35           HN       CYS  35  -5.745  -6.904  -3.406
  245    HA   CYS  35           HA       CYS  35  -3.415  -7.606  -5.123
  246   1HB   CYS  35           HBS      CYS  35  -6.030  -6.290  -5.687
  247   2HB   CYS  35           HBR      CYS  35  -4.583  -5.709  -6.563
  248    H    PHE  36           HN       PHE  36  -4.614  -5.515  -2.716
  249    HA   PHE  36           HA       PHE  36  -3.514  -3.098  -3.367
  250   1HB   PHE  36           HBR      PHE  36  -4.579  -4.250  -0.957
  251   2HB   PHE  36           HBS      PHE  36  -3.078  -3.370  -0.549
  252    HD1  PHE  36           HD2      PHE  36  -2.967  -0.928  -1.884
  253    HD2  PHE  36           HD1      PHE  36  -6.495  -3.144  -1.000
  254    HE1  PHE  36           HE2      PHE  36  -4.269   1.174  -1.841
  255    HE2  PHE  36           HE1      PHE  36  -7.796  -1.066  -0.875
  256    HZ   PHE  36           HZ       PHE  36  -6.695   1.091  -1.336
  257    NH1  ARG  37           NH1      ARG  37   3.422  -7.517  -5.519
  258    NH2  ARG  37           NH2      ARG  37   5.572  -6.779  -5.849
  259    H    ARG  37           HN       ARG  37  -1.565  -2.689  -4.074
  260    HA   ARG  37           HA       ARG  37   0.723  -4.197  -2.912
  261   1HB   ARG  37           HBR      ARG  37  -0.231  -4.093  -5.528
  262   2HB   ARG  37           HBS      ARG  37   1.172  -2.986  -5.527
  263   1HG   ARG  37           HGS      ARG  37   2.351  -4.996  -4.290
  264   2HG   ARG  37           HGR      ARG  37   1.058  -5.951  -5.071
  265   1HD   ARG  37           HDS      ARG  37   1.977  -5.761  -7.079
  266   2HD   ARG  37           HDR      ARG  37   2.330  -4.025  -6.855
  267    HE   ARG  37           HE       ARG  37   4.488  -4.595  -6.308
  268   1HH1  ARG  37           HH1      ARG  37   2.436  -7.349  -5.513
  269   2HH1  ARG  37           HH1      ARG  37   3.778  -8.415  -5.259
  270   1HH2  ARG  37           HH2      ARG  37   6.212  -6.051  -6.094
  271   2HH2  ARG  37           HH2      ARG  37   5.915  -7.679  -5.580
  272    H    CYS  38           HN       CYS  38   1.712  -2.922  -1.506
  273    HA   CYS  38           HA       CYS  38   2.154  -0.051  -1.861
  274   1HB   CYS  38           HBS      CYS  38   2.065  -1.205   0.358
  275   2HB   CYS  38           HBR      CYS  38   3.589  -2.028  -0.078
  276    H    ALA  39           HN       ALA  39   3.305   0.593  -3.515
  277    HA   ALA  39           HA       ALA  39   5.778  -0.835  -4.260
  278   1HB   ALA  39           HMB      ALA  39   4.020   0.281  -5.844
  279   2HB   ALA  39           HMB      ALA  39   4.903   1.776  -5.444
  280   3HB   ALA  39           HMB      ALA  39   5.764   0.405  -6.189
  281    H    LYS  40           HN       LYS  40   5.638   0.228  -1.625
  282    HA   LYS  40           HA       LYS  40   7.749   2.330  -1.806
  283   1HB   LYS  40           HBR      LYS  40   5.271   2.740  -0.836
  284   2HB   LYS  40           HBS      LYS  40   6.065   2.111   0.636
  285   1HG   LYS  40           HGR      LYS  40   6.991   4.491  -1.020
  286   2HG   LYS  40           HGS      LYS  40   6.147   4.566   0.553
  287   1HD   LYS  40           HDS      LYS  40   8.327   2.885   0.992
  288   2HD   LYS  40           HDR      LYS  40   8.946   4.129  -0.059
  289   1HE   LYS  40           HES      LYS  40   9.165   5.479   1.667
  290   2HE   LYS  40           HER      LYS  40   7.387   5.475   1.838
  291   1HZ   LYS  40           HZB      LYS  40   9.215   3.530   3.071
  292   2HZ   LYS  40           HZC      LYS  40   8.497   4.776   3.845
  293   3HZ   LYS  40           HZA      LYS  40   7.592   3.558   3.243
  294    H    CYS  41           HN       CYS  41   6.397  -0.300   0.209
  295    HA   CYS  41           HA       CYS  41   9.184  -0.923   1.051
  296   1HB   CYS  41           HBR      CYS  41   8.239  -2.477   2.681
  297   2HB   CYS  41           HBS      CYS  41   7.775  -0.780   2.978
  298    H    GLY  42           HN       GLY  42   6.536  -1.714  -0.983
  299   1HA   GLY  42           HAS      GLY  42   6.964  -2.727  -3.091
  300   2HA   GLY  42           HAR      GLY  42   8.404  -3.526  -2.405
  301    H    LYS  43           HN       LYS  43   5.561  -3.540  -0.450
  302    HA   LYS  43           HA       LYS  43   5.562  -6.485  -0.719
  303   1HB   LYS  43           HBS      LYS  43   5.995  -4.974   1.457
  304   2HB   LYS  43           HBR      LYS  43   4.218  -5.114   1.560
  305   1HG   LYS  43           HGR      LYS  43   4.328  -7.501   1.694
  306   2HG   LYS  43           HGS      LYS  43   6.064  -7.509   1.270
  307   1HD   LYS  43           HDS      LYS  43   6.312  -7.768   3.474
  308   2HD   LYS  43           HDR      LYS  43   6.276  -6.028   3.407
  309   1HE   LYS  43           HES      LYS  43   3.770  -7.616   3.880
  310   2HE   LYS  43           HER      LYS  43   4.886  -7.149   5.195
  311   1HZ   LYS  43           HZC      LYS  43   4.523  -4.867   3.850
  312   2HZ   LYS  43           HZA      LYS  43   3.042  -5.546   3.733
  313   3HZ   LYS  43           HZB      LYS  43   3.709  -5.294   5.201
  314    H    SER  44           HN       SER  44   3.707  -7.693  -0.795
  315    HA   SER  44           HA       SER  44   1.142  -6.465  -1.507
  316   1HB   SER  44           HBR      SER  44   2.109  -9.271  -1.015
  317   2HB   SER  44           HBS      SER  44   0.367  -8.885  -0.928
  318    HG   SER  44           HG       SER  44   0.166  -8.679  -2.943
  319    H    LEU  45           HN       LEU  45  -0.531  -6.117  -0.155
  320    HA   LEU  45           HA       LEU  45   0.460  -5.466   2.550
  321   1HB   LEU  45           HBS      LEU  45  -0.981  -4.198   0.419
  322   2HB   LEU  45           HBR      LEU  45  -2.004  -4.216   1.879
  323    HG   LEU  45           HG       LEU  45   0.615  -2.805   1.402
  324   1HD1  LEU  45           HMD      LEU  45  -2.184  -2.156   1.572
  325   2HD1  LEU  45           HMD      LEU  45  -1.281  -1.316   2.859
  326   3HD1  LEU  45           HMD      LEU  45  -0.797  -1.118   1.154
  327   1HD2  LEU  45           HMD      LEU  45  -0.234  -4.086   3.856
  328   2HD2  LEU  45           HMD      LEU  45   1.243  -3.156   3.508
  329   3HD2  LEU  45           HMD      LEU  45  -0.237  -2.315   4.040
  330    H    GLU  46           HN       GLU  46  -1.877  -4.810   3.761
  331    HA   GLU  46           HA       GLU  46  -3.477  -7.334   3.868
  332   1HB   GLU  46           HBR      GLU  46  -3.361  -5.457   6.179
  333   2HB   GLU  46           HBS      GLU  46  -3.784  -7.078   6.098
  334   1HG   GLU  46           HGS      GLU  46  -1.331  -7.540   5.375
  335   2HG   GLU  46           HGR      GLU  46  -0.960  -6.000   6.198
  336    H    SER  47           HN       SER  47  -5.638  -6.568   5.140
  337    HA   SER  47           HA       SER  47  -6.969  -5.332   2.962
  338   1HB   SER  47           HBS      SER  47  -8.455  -5.599   5.507
  339   2HB   SER  47           HBR      SER  47  -8.865  -6.147   3.856
  340    HG   SER  47           HG       SER  47  -7.192  -7.769   4.043
  341    H    THR  48           HN       THR  48  -6.669  -4.300   6.380
  342    HA   THR  48           HA       THR  48  -7.575  -1.594   5.528
  343    HB   THR  48           HB       THR  48  -9.271  -2.812   6.890
  344    HG1  THR  48           HG1      THR  48  -9.681  -1.301   7.918
  345   1HG2  THR  48           HMG      THR  48  -7.090  -2.923   8.981
  346   2HG2  THR  48           HMG      THR  48  -8.823  -3.082   9.361
  347   3HG2  THR  48           HMG      THR  48  -8.033  -4.271   8.295
  348    H    THR  49           HN       THR  49  -4.862  -2.327   5.441
  349    HA   THR  49           HA       THR  49  -3.859  -0.288   7.356
  350    HB   THR  49           HB       THR  49  -3.262  -2.511   8.289
  351    HG1  THR  49           HG1      THR  49  -1.463  -2.042   8.641
  352   1HG2  THR  49           HMG      THR  49  -2.966  -3.411   5.720
  353   2HG2  THR  49           HMG      THR  49  -1.274  -3.189   6.234
  354   3HG2  THR  49           HMG      THR  49  -2.362  -4.237   7.180
  355    H    LEU  50           HN       LEU  50  -4.305   0.941   5.329
  356    HA   LEU  50           HA       LEU  50  -2.052   0.820   3.410
  357   1HB   LEU  50           HBR      LEU  50  -3.452   0.395   1.578
  358   2HB   LEU  50           HBS      LEU  50  -3.902  -0.794   2.834
  359    HG   LEU  50           HG       LEU  50  -5.748   1.088   3.333
  360   1HD1  LEU  50           HMD      LEU  50  -4.731   1.591   0.597
  361   2HD1  LEU  50           HMD      LEU  50  -6.500   1.448   0.751
  362   3HD1  LEU  50           HMD      LEU  50  -5.617   2.661   1.713
  363   1HD2  LEU  50           HMD      LEU  50  -5.593  -1.283   1.512
  364   2HD2  LEU  50           HMD      LEU  50  -6.490  -1.065   3.036
  365   3HD2  LEU  50           HMD      LEU  50  -7.092  -0.320   1.533
  366    H    ALA  51           HN       ALA  51  -2.204   2.602   1.810
  367    HA   ALA  51           HA       ALA  51  -3.773   4.972   2.628
  368   1HB   ALA  51           HMB      ALA  51  -1.356   4.505   3.791
  369   2HB   ALA  51           HMB      ALA  51  -0.878   5.451   2.359
  370   3HB   ALA  51           HMB      ALA  51  -2.064   6.115   3.511
  371    H    ASP  52           HN       ASP  52  -4.650   5.538   0.781
  372    HA   ASP  52           HA       ASP  52  -3.194   5.241  -1.695
  373   1HB   ASP  52           HBS      ASP  52  -5.276   5.996  -2.756
  374   2HB   ASP  52           HBR      ASP  52  -5.469   4.593  -1.666
  375    H    LYS  53           HN       LYS  53  -3.122   6.943  -3.336
  376    HA   LYS  53           HA       LYS  53  -3.556   9.656  -2.687
  377   1HB   LYS  53           HBS      LYS  53  -1.339   9.121  -1.423
  378   2HB   LYS  53           HBR      LYS  53  -0.610   9.157  -3.056
  379   1HG   LYS  53           HGR      LYS  53  -0.400  11.328  -1.898
  380   2HG   LYS  53           HGS      LYS  53  -1.392  11.454  -3.379
  381   1HD   LYS  53           HDS      LYS  53  -3.430  11.327  -2.008
  382   2HD   LYS  53           HDR      LYS  53  -2.450  11.239  -0.570
  383   1HE   LYS  53           HES      LYS  53  -1.416  13.480  -1.622
  384   2HE   LYS  53           HER      LYS  53  -3.074  13.547  -2.283
  385   1HZ   LYS  53           HZC      LYS  53  -2.561  13.057   0.557
  386   2HZ   LYS  53           HZA      LYS  53  -2.685  14.571  -0.043
  387   3HZ   LYS  53           HZB      LYS  53  -3.948  13.543  -0.154
  388    H    ASP  54           HN       ASP  54  -3.891  10.694  -4.523
  389    HA   ASP  54           HA       ASP  54  -3.909  11.267  -6.708
  390   1HB   ASP  54           HBS      ASP  54  -1.152  10.582  -6.166
  391   2HB   ASP  54           HBR      ASP  54  -1.600  10.276  -7.869
  392    H    GLY  55           HN       GLY  55  -1.965   8.530  -7.632
  393   1HA   GLY  55           HAR      GLY  55  -4.307   6.773  -7.926
  394   2HA   GLY  55           HAS      GLY  55  -3.430   7.170  -9.428
  395    H    GLU  56           HN       GLU  56  -1.570   7.168  -6.525
  396    HA   GLU  56           HA       GLU  56  -0.862   4.307  -6.811
  397   1HB   GLU  56           HBR      GLU  56   1.128   6.545  -6.375
  398   2HB   GLU  56           HBS      GLU  56   1.435   4.898  -6.287
  399   1HG   GLU  56           HGS      GLU  56   2.144   5.052  -8.381
  400   2HG   GLU  56           HGR      GLU  56   0.424   4.850  -8.811
  401    H    ILE  57           HN       ILE  57   0.723   3.939  -4.746
  402    HA   ILE  57           HA       ILE  57  -0.694   4.887  -2.335
  403    HB   ILE  57           HB       ILE  57  -1.652   2.662  -1.899
  404   1HG1  ILE  57           HG1      ILE  57  -0.545   1.917  -4.634
  405   2HG1  ILE  57           HG1      ILE  57   0.024   1.317  -3.050
  406   1HG2  ILE  57           HMG      ILE  57  -2.882   4.434  -3.281
  407   2HG2  ILE  57           HMG      ILE  57  -2.555   3.376  -4.680
  408   3HG2  ILE  57           HMG      ILE  57  -3.511   2.765  -3.302
  409   1HD1  ILE  57           HMD      ILE  57  -2.848   0.886  -3.597
  410   2HD1  ILE  57           HMD      ILE  57  -1.724   0.004  -4.665
  411   3HD1  ILE  57           HMD      ILE  57  -1.626  -0.207  -2.896
  412    OH   TYR  58           OH       TYR  58   2.090   9.477   1.156
  413    H    TYR  58           HN       TYR  58   0.419   4.572  -0.522
  414    HA   TYR  58           HA       TYR  58   2.194   2.237  -0.416
  415   1HB   TYR  58           HBS      TYR  58   3.603   3.523   1.334
  416   2HB   TYR  58           HBR      TYR  58   3.910   3.832  -0.397
  417    HD1  TYR  58           HD2      TYR  58   3.041   5.932  -1.428
  418    HD2  TYR  58           HD1      TYR  58   2.817   5.298   2.771
  419    HE1  TYR  58           HE2      TYR  58   2.468   8.297  -1.110
  420    HE2  TYR  58           HE1      TYR  58   2.239   7.664   3.103
  421    HH   TYR  58           HH       TYR  58   1.023   9.554   0.956
  422    H    CYS  59           HN       CYS  59   2.622   1.895   2.114
  423    HA   CYS  59           HA       CYS  59  -0.198   1.370   2.716
  424   1HB   CYS  59           HBR      CYS  59   0.354  -0.759   3.360
  425   2HB   CYS  59           HBS      CYS  59   1.255  -0.403   1.866
  426    H    LYS  60           HN       LYS  60  -0.937   0.804   4.823
  427    HA   LYS  60           HA       LYS  60   0.051   2.697   6.886
  428   1HB   LYS  60           HBR      LYS  60  -2.503   1.931   6.315
  429   2HB   LYS  60           HBS      LYS  60  -2.060   0.732   7.561
  430   1HG   LYS  60           HGR      LYS  60  -1.437   2.572   9.093
  431   2HG   LYS  60           HGS      LYS  60  -1.927   3.758   7.849
  432   1HD   LYS  60           HDS      LYS  60  -4.044   1.863   8.308
  433   2HD   LYS  60           HDR      LYS  60  -3.500   2.516   9.829
  434   1HE   LYS  60           HES      LYS  60  -4.768   4.282   9.463
  435   2HE   LYS  60           HER      LYS  60  -3.617   4.732   8.172
  436   1HZ   LYS  60           HZC      LYS  60  -5.066   3.079   6.837
  437   2HZ   LYS  60           HZA      LYS  60  -6.205   3.434   7.952
  438   3HZ   LYS  60           HZB      LYS  60  -5.556   4.623   7.040
  439    H    GLY  61           HN       GLY  61   0.408  -0.490   5.702
  440   1HA   GLY  61           HAR      GLY  61   1.744  -1.688   7.924
  441   2HA   GLY  61           HAS      GLY  61   2.041  -2.011   6.195
  442    H    CYS  62           HN       CYS  62   2.414   1.168   6.200
  443    HA   CYS  62           HA       CYS  62   5.313   0.979   6.708
  444   1HB   CYS  62           HBS      CYS  62   3.567   1.942   4.566
  445   2HB   CYS  62           HBR      CYS  62   4.814   3.132   5.033
  446    OH   TYR  63           OH       TYR  63   1.286  10.466  10.179
  447    H    TYR  63           HN       TYR  63   2.669   3.377   6.690
  448    HA   TYR  63           HA       TYR  63   3.772   5.205   8.563
  449   1HB   TYR  63           HBS      TYR  63   1.532   5.211   7.116
  450   2HB   TYR  63           HBR      TYR  63   0.846   4.559   8.631
  451    HD1  TYR  63           HD2      TYR  63   2.881   7.403   7.312
  452    HD2  TYR  63           HD1      TYR  63   0.286   6.045  10.395
  453    HE1  TYR  63           HE2      TYR  63   2.717   9.696   8.172
  454    HE2  TYR  63           HE1      TYR  63   0.129   8.333  11.278
  455    HH   TYR  63           HH       TYR  63   1.125  11.017   9.254
  456    H    ALA  64           HN       ALA  64   2.753   1.946   8.875
  457    HA   ALA  64           HA       ALA  64   2.762   2.041  11.816
  458   1HB   ALA  64           HMB      ALA  64   2.591  -0.196   9.786
  459   2HB   ALA  64           HMB      ALA  64   2.700  -0.460  11.545
  460   3HB   ALA  64           HMB      ALA  64   1.313   0.427  10.861
  461    H    LYS  65           HN       LYS  65   4.649   0.160   9.416
  462    HA   LYS  65           HA       LYS  65   6.517  -0.700  11.268
  463   1HB   LYS  65           HBR      LYS  65   6.309  -0.683   8.326
  464   2HB   LYS  65           HBS      LYS  65   7.981  -0.755   8.954
  465   1HG   LYS  65           HGR      LYS  65   5.714  -2.672   9.627
  466   2HG   LYS  65           HGS      LYS  65   7.106  -3.006   8.558
  467   1HD   LYS  65           HDS      LYS  65   7.831  -2.085  11.251
  468   2HD   LYS  65           HDR      LYS  65   6.925  -3.572  11.227
  469   1HE   LYS  65           HES      LYS  65   8.506  -4.661   9.825
  470   2HE   LYS  65           HER      LYS  65   9.361  -3.120   9.531
  471   1HZ   LYS  65           HZA      LYS  65   9.075  -4.063  12.262
  472   2HZ   LYS  65           HZB      LYS  65  10.192  -4.780  11.309
  473   3HZ   LYS  65           HZC      LYS  65  10.268  -3.172  11.588
  474    H    ASN  66           HN       ASN  66   6.509   2.226   9.311
  475    HA   ASN  66           HA       ASN  66   8.851   3.130  10.881
  476   1HB   ASN  66           HBS      ASN  66   9.534   2.853   8.567
  477   2HB   ASN  66           HBR      ASN  66   8.239   3.969   8.047
  478   1HD2  ASN  66           HD2      ASN  66  11.515   5.449  10.110
  479   2HD2  ASN  66           HD2      ASN  66  10.967   3.830  10.393
  480    H    PHE  67           HN       PHE  67   6.681   3.320  12.171
  481    HA   PHE  67           HA       PHE  67   4.920   5.384  11.680
  482   1HB   PHE  67           HBR      PHE  67   4.405   5.458  14.074
  483   2HB   PHE  67           HBS      PHE  67   4.562   3.770  13.508
  484    HD1  PHE  67           HD1      PHE  67   6.232   6.517  15.261
  485    HD2  PHE  67           HD2      PHE  67   6.189   2.309  14.591
  486    HE1  PHE  67           HE1      PHE  67   7.941   6.244  16.999
  487    HE2  PHE  67           HE2      PHE  67   7.908   2.006  16.344
  488    HZ   PHE  67           HZ       PHE  67   8.825   3.997  17.501
  489    H    GLY  68           HN       GLY  68   8.231   5.601  12.560
  490   1HA   GLY  68           HAR      GLY  68   8.120   8.535  12.778
  491   2HA   GLY  68           HAS      GLY  68   8.662   7.656  14.235
  492    HA   PRO  69           HA       PRO  69  11.843   7.200  10.528
  493   1HB   PRO  69           HBR      PRO  69  11.657   9.636   9.232
  494   2HB   PRO  69           HBS      PRO  69  11.546   8.140   8.568
  495   1HG   PRO  69           HGS      PRO  69   9.535   9.873   8.821
  496   2HG   PRO  69           HGR      PRO  69   9.372   8.256   8.440
  497   1HD   PRO  69           HDS      PRO  69   8.846   9.540  10.885
  498   2HD   PRO  69           HDR      PRO  69   8.306   8.068  10.358
  499    H    LYS  70           HN       LYS  70  13.945   7.712  10.749
  500    HA   LYS  70           HA       LYS  70  14.868  10.245  11.452
  501   1HB   LYS  70           HBS      LYS  70  13.746   9.864  13.627
  502   2HB   LYS  70           HBR      LYS  70  14.759   8.412  13.870
  503   1HG   LYS  70           HGR      LYS  70  16.196   9.769  14.933
  504   2HG   LYS  70           HGS      LYS  70  16.616  10.407  13.316
  505   1HD   LYS  70           HDS      LYS  70  14.680  12.034  13.633
  506   2HD   LYS  70           HDR      LYS  70  14.656  11.524  15.299
  507   1HE   LYS  70           HES      LYS  70  16.156  13.084  15.732
  508   2HE   LYS  70           HER      LYS  70  17.326  12.072  14.840
  509   1HZ   LYS  70           HZB      LYS  70  15.634  14.161  13.650
  510   2HZ   LYS  70           HZC      LYS  70  17.224  14.312  13.990
  511   3HZ   LYS  70           HZA      LYS  70  16.728  13.249  12.852
  512    H    GLY  71           HN       GLY  71  15.787   7.184  13.037
  513   1HA   GLY  71           HAS      GLY  71  17.403   6.146  11.012
  514   2HA   GLY  71           HAR      GLY  71  18.483   7.134  12.032
  515    H    PHE  72           HN       PHE  72  18.493   4.259  11.661
  516    HA   PHE  72           HA       PHE  72  19.070   3.630  14.352
  517   1HB   PHE  72           HBS      PHE  72  16.606   3.246  14.552
  518   2HB   PHE  72           HBR      PHE  72  16.728   2.003  13.273
  519    HD1  PHE  72           HD1      PHE  72  18.016   2.997  16.572
  520    HD2  PHE  72           HD2      PHE  72  17.254  -0.263  13.935
  521    HE1  PHE  72           HE1      PHE  72  18.692   1.436  18.339
  522    HE2  PHE  72           HE2      PHE  72  17.927  -1.857  15.701
  523    HZ   PHE  72           HZ       PHE  72  18.707  -0.988  17.889
  524    H    GLY  73           HN       GLY  73  20.783   2.414  14.230
  525   1HA   GLY  73           HAR      GLY  73  20.922  -0.126  13.221
  526   2HA   GLY  73           HAS      GLY  73  21.522   0.871  11.868
  527    H    PHE  74           HN       PHE  74  21.854   1.326  15.397
  528    HA   PHE  74           HA       PHE  74  23.630   1.223  16.816
  529   1HB   PHE  74           HBR      PHE  74  24.431  -0.691  14.666
  530   2HB   PHE  74           HBS      PHE  74  25.736  -0.079  15.723
  531    HD1  PHE  74           HD2      PHE  74  22.414  -1.862  15.823
  532    HD2  PHE  74           HD1      PHE  74  26.045  -0.856  17.811
  533    HE1  PHE  74           HE2      PHE  74  21.825  -3.402  17.667
  534    HE2  PHE  74           HE1      PHE  74  25.483  -2.374  19.654
  535    HZ   PHE  74           HZ       PHE  74  23.345  -3.602  19.615
  536    H    GLY  75           HN       GLY  75  25.366   1.284  13.692
  537   1HA   GLY  75           HAS      GLY  75  27.189   3.369  14.685
  538   2HA   GLY  75           HAR      GLY  75  27.251   2.548  13.102
  539    H    GLN  76           HN       GLN  76  27.435   5.384  13.658
  540    HA   GLN  76           HA       GLN  76  24.940   6.557  12.808
  541   1HB   GLN  76           HBS      GLN  76  26.883   7.553  14.285
  542   2HB   GLN  76           HBR      GLN  76  27.495   8.098  12.698
  543   1HG   GLN  76           HGS      GLN  76  25.879   9.643  12.454
  544   2HG   GLN  76           HGR      GLN  76  24.626   8.600  13.183
  545   1HE2  GLN  76           HE2      GLN  76  26.470  11.524  15.277
  546   2HE2  GLN  76           HE2      GLN  76  26.795  11.204  13.606
  547    H    GLY  77           HN       GLY  77  28.204   6.580  11.328
  548   1HA   GLY  77           HAR      GLY  77  28.162   5.936   8.805
  549   2HA   GLY  77           HAS      GLY  77  26.906   7.199   8.723
  550    H    ALA  78           HN       ALA  78  27.998   8.963  10.669
  551    HA   ALA  78           HA       ALA  78  30.538   9.839   9.374
  552   1HB   ALA  78           HMB      ALA  78  28.581  11.424   9.328
  553   2HB   ALA  78           HMB      ALA  78  28.696  11.502  11.104
  554   3HB   ALA  78           HMB      ALA  78  30.063  12.045  10.098
  555    H    GLY  79           HN       GLY  79  31.970   8.620  10.492
  556   1HA   GLY  79           HAR      GLY  79  31.800   8.614  13.469
  557   2HA   GLY  79           HAS      GLY  79  32.503   7.320  12.463
  558    H    ALA  80           HN       ALA  80  34.467   7.814  11.257
  559    HA   ALA  80           HA       ALA  80  36.177  10.017  12.118
  560   1HB   ALA  80           HMB      ALA  80  35.862   8.118  13.988
  561   2HB   ALA  80           HMB      ALA  80  37.161   7.367  13.026
  562   3HB   ALA  80           HMB      ALA  80  37.392   8.992  13.719
  563    H    LEU  81           HN       LEU  81  35.283   8.902   9.630
  564    HA   LEU  81           HA       LEU  81  37.614   7.593   8.432
  565   1HB   LEU  81           HBR      LEU  81  36.367   7.619   6.455
  566   2HB   LEU  81           HBS      LEU  81  35.192   7.301   7.763
  567    HG   LEU  81           HG       LEU  81  35.006  10.016   7.488
  568   1HD1  LEU  81           HMD      LEU  81  36.509   9.560   5.370
  569   2HD1  LEU  81           HMD      LEU  81  34.968   9.015   4.660
  570   3HD1  LEU  81           HMD      LEU  81  35.125  10.677   5.282
  571   1HD2  LEU  81           HMD      LEU  81  33.263   8.226   7.665
  572   2HD2  LEU  81           HMD      LEU  81  32.875   9.511   6.493
  573   3HD2  LEU  81           HMD      LEU  81  33.462   7.929   5.918
  574    H    ILE  82           HN       ILE  82  36.172  10.825   8.703
  575    HA   ILE  82           HA       ILE  82  36.986  12.917   8.307
  576    HB   ILE  82           HB       ILE  82  38.311  12.105  10.230
  577   1HG1  ILE  82           HG1      ILE  82  40.225  13.787   9.915
  578   2HG1  ILE  82           HG1      ILE  82  39.587  14.024   8.263
  579   1HG2  ILE  82           HMG      ILE  82  40.383  11.330   8.169
  580   2HG2  ILE  82           HMG      ILE  82  40.721  11.540   9.908
  581   3HG2  ILE  82           HMG      ILE  82  39.577  10.284   9.368
  582   1HD1  ILE  82           HMD      ILE  82  37.332  14.295   9.820
  583   2HD1  ILE  82           HMD      ILE  82  38.602  15.027  10.838
  584   3HD1  ILE  82           HMD      ILE  82  38.327  15.631   9.182
  585    H    HIS  83           HN       HIS  83  36.466  12.190   5.959
  586    HA   HIS  83           HA       HIS  83  36.866  12.814   3.805
  587   1HB   HIS  83           HBS      HIS  83  39.311  14.141   5.045
  588   2HB   HIS  83           HBR      HIS  83  38.885  14.257   3.313
  589    HD1  HIS  83           HD1      HIS  83  37.117  14.942   6.685
  590    HD2  HIS  83           HD2      HIS  83  37.420  16.435   2.808
  591    HE1  HIS  83           HE1      HIS  83  35.829  17.092   6.652
  592    HE2  HIS  83           HE2      HIS  83  36.029  18.011   4.315
  593    H    SER  84           HN       SER  84  40.274  12.447   4.762
  594    HA   SER  84           HA       SER  84  40.741  10.988   2.325
  595   1HB   SER  84           HBR      SER  84  42.357  12.333   4.385
  596   2HB   SER  84           HBS      SER  84  43.111  10.875   3.675
  597    HG   SER  84           HG       SER  84  42.648  13.426   2.688
  598    H    GLN  85           HN       GLN  85  40.315  10.164   5.682
  599    HA   GLN  85           HA       GLN  85  40.277   8.171   6.800
  600   1HB   GLN  85           HBS      GLN  85  39.310   7.298   4.528
  601   2HB   GLN  85           HBR      GLN  85  40.930   6.564   4.360
  602   1HG   GLN  85           HGS      GLN  85  40.643   5.197   6.225
  603   2HG   GLN  85           HGR      GLN  85  39.310   6.195   6.871
  604   1HE2  GLN  85           HE2      GLN  85  36.820   4.845   4.704
  605   2HE2  GLN  85           HE2      GLN  85  37.334   6.302   5.485
   
  Start of MODEL           2
 Raw file had  605 H/Q atoms
  Start of MODEL    2
    1   1H    MET   1           HNB      MET   1 -14.799   6.306 -21.869
    2   2H    MET   1           HN       MET   1 -13.189   6.580 -21.916
    3   3H    MET   1           HNC      MET   1 -14.126   6.990 -23.190
    4    HA   MET   1           HA       MET   1 -14.649   4.757 -23.667
    5   1HB   MET   1           HBS      MET   1 -11.946   5.872 -23.724
    6   2HB   MET   1           HBR      MET   1 -11.952   4.090 -23.702
    7   1HG   MET   1           HGS      MET   1 -12.082   4.590 -26.006
    8   2HG   MET   1           HGR      MET   1 -13.767   4.261 -25.544
    9   1HE   MET   1           HME      MET   1 -15.415   5.621 -25.196
   10   2HE   MET   1           HME      MET   1 -15.275   7.312 -24.651
   11   3HE   MET   1           HME      MET   1 -15.709   6.954 -26.342
   12    H    ALA   2           HN       ALA   2 -15.041   2.799 -22.902
   13    HA   ALA   2           HA       ALA   2 -13.336   1.492 -21.034
   14   1HB   ALA   2           HMB      ALA   2 -14.571   2.996 -19.471
   15   2HB   ALA   2           HMB      ALA   2 -16.079   2.175 -19.948
   16   3HB   ALA   2           HMB      ALA   2 -14.780   1.256 -19.145
   17    H    GLN   3           HN       GLN   3 -13.953  -0.699 -20.686
   18    HA   GLN   3           HA       GLN   3 -15.815  -1.767 -22.708
   19   1HB   GLN   3           HBR      GLN   3 -13.455  -2.777 -21.430
   20   2HB   GLN   3           HBS      GLN   3 -14.835  -3.855 -21.078
   21   1HG   GLN   3           HGS      GLN   3 -13.893  -2.958 -23.817
   22   2HG   GLN   3           HGR      GLN   3 -13.651  -4.569 -23.084
   23   1HE2  GLN   3           HE2      GLN   3 -16.647  -4.232 -25.467
   24   2HE2  GLN   3           HE2      GLN   3 -15.085  -3.488 -25.538
   25    H    LYS   4           HN       LYS   4 -17.609  -2.965 -22.216
   26    HA   LYS   4           HA       LYS   4 -19.084  -2.171 -19.945
   27   1HB   LYS   4           HBS      LYS   4 -19.999  -2.967 -22.159
   28   2HB   LYS   4           HBR      LYS   4 -19.627  -4.632 -21.628
   29   1HG   LYS   4           HGR      LYS   4 -21.278  -2.880 -19.830
   30   2HG   LYS   4           HGS      LYS   4 -22.040  -3.570 -21.291
   31   1HD   LYS   4           HDS      LYS   4 -20.633  -5.163 -19.145
   32   2HD   LYS   4           HDR      LYS   4 -22.352  -4.889 -19.231
   33   1HE   LYS   4           HES      LYS   4 -22.306  -6.888 -20.270
   34   2HE   LYS   4           HER      LYS   4 -22.038  -5.828 -21.684
   35   1HZ   LYS   4           HZB      LYS   4 -19.730  -6.750 -20.190
   36   2HZ   LYS   4           HZC      LYS   4 -20.476  -7.816 -21.176
   37   3HZ   LYS   4           HZA      LYS   4 -19.878  -6.423 -21.783
   38    H    VAL   5           HN       VAL   5 -19.387  -2.992 -17.990
   39    HA   VAL   5           HA       VAL   5 -17.921  -5.491 -17.318
   40    HB   VAL   5           HB       VAL   5 -17.806  -4.436 -14.977
   41   1HG1  VAL   5           HMG      VAL   5 -15.861  -4.894 -16.437
   42   2HG1  VAL   5           HMG      VAL   5 -16.034  -3.267 -17.136
   43   3HG1  VAL   5           HMG      VAL   5 -15.646  -3.456 -15.410
   44   1HG2  VAL   5           HMG      VAL   5 -19.294  -2.473 -15.778
   45   2HG2  VAL   5           HMG      VAL   5 -17.928  -2.150 -14.683
   46   3HG2  VAL   5           HMG      VAL   5 -17.775  -1.807 -16.424
   47    H    GLY   6           HN       GLY   6 -18.928  -6.965 -16.071
   48   1HA   GLY   6           HAS      GLY   6 -21.615  -6.287 -14.980
   49   2HA   GLY   6           HAR      GLY   6 -21.367  -7.822 -15.854
   50    H    GLY   7           HN       GLY   7 -22.223  -7.753 -13.220
   51   1HA   GLY   7           HAR      GLY   7 -21.438  -9.300 -11.430
   52   2HA   GLY   7           HAS      GLY   7 -19.821  -8.578 -11.639
   53    H    SER   8           HN       SER   8 -19.291  -6.944 -10.364
   54    HA   SER   8           HA       SER   8 -21.419  -5.422  -8.960
   55   1HB   SER   8           HBS      SER   8 -20.887  -7.337  -7.572
   56   2HB   SER   8           HBR      SER   8 -19.148  -6.928  -7.629
   57    HG   SER   8           HG       SER   8 -19.433  -5.808  -5.954
   58    H    ASP   9           HN       ASP   9 -17.856  -5.807  -8.881
   59    HA   ASP   9           HA       ASP   9 -17.430  -3.164  -9.831
   60   1HB   ASP   9           HBS      ASP   9 -18.131  -2.862  -7.350
   61   2HB   ASP   9           HBR      ASP   9 -16.458  -3.395  -7.016
   62    H    GLY  10           HN       GLY  10 -15.642  -3.177 -10.922
   63   1HA   GLY  10           HAS      GLY  10 -14.139  -5.717 -10.765
   64   2HA   GLY  10           HAR      GLY  10 -14.454  -4.750 -12.229
   65    H    CYS  11           HN       CYS  11 -12.003  -5.476 -12.160
   66    HA   CYS  11           HA       CYS  11 -10.377  -3.551 -10.586
   67   1HB   CYS  11           HBS      CYS  11 -10.441  -6.056 -10.034
   68   2HB   CYS  11           HBR      CYS  11  -9.539  -6.277 -11.560
   69    HA   PRO  12           HA       PRO  12  -8.794  -2.136 -14.511
   70   1HB   PRO  12           HBR      PRO  12  -7.537  -0.109 -13.248
   71   2HB   PRO  12           HBS      PRO  12  -8.953   0.011 -14.069
   72   1HG   PRO  12           HGS      PRO  12  -8.550  -0.013 -11.311
   73   2HG   PRO  12           HGR      PRO  12  -9.868   0.552 -12.164
   74   1HD   PRO  12           HDS      PRO  12  -9.824  -1.730 -10.775
   75   2HD   PRO  12           HDR      PRO  12 -10.932  -1.360 -11.946
   76    NH1  ARG  13           NH1      ARG  13  -1.943  -0.884 -10.336
   77    NH2  ARG  13           NH2      ARG  13  -1.509  -0.689 -12.584
   78    H    ARG  13           HN       ARG  13  -7.482  -3.404 -11.757
   79    HA   ARG  13           HA       ARG  13  -4.728  -2.846 -12.423
   80   1HB   ARG  13           HBS      ARG  13  -6.126  -3.452 -10.103
   81   2HB   ARG  13           HBR      ARG  13  -5.159  -4.924 -10.411
   82   1HG   ARG  13           HGS      ARG  13  -4.132  -2.086 -10.091
   83   2HG   ARG  13           HGR      ARG  13  -3.930  -3.445  -8.950
   84   1HD   ARG  13           HDS      ARG  13  -1.943  -3.605  -9.984
   85   2HD   ARG  13           HDR      ARG  13  -2.904  -4.569 -11.140
   86    HE   ARG  13           HE       ARG  13  -2.533  -2.944 -12.724
   87   1HH1  ARG  13           HH1      ARG  13  -2.284  -1.412  -9.559
   88   2HH1  ARG  13           HH1      ARG  13  -1.601   0.046 -10.198
   89   1HH2  ARG  13           HH2      ARG  13  -1.522  -1.073 -13.507
   90   2HH2  ARG  13           HH2      ARG  13  -1.173   0.240 -12.432
   91    H    CYS  14           HN       CYS  14  -6.520  -5.920 -11.942
   92    HA   CYS  14           HA       CYS  14  -4.323  -7.329 -13.357
   93   1HB   CYS  14           HBR      CYS  14  -5.372  -9.392 -12.539
   94   2HB   CYS  14           HBS      CYS  14  -4.815  -8.298 -11.243
   95    H    GLY  15           HN       GLY  15  -7.549  -6.168 -13.683
   96   1HA   GLY  15           HAR      GLY  15  -8.423  -5.808 -15.868
   97   2HA   GLY  15           HAS      GLY  15  -7.606  -7.291 -16.429
   98    H    GLN  16           HN       GLN  16  -8.584  -8.539 -13.766
   99    HA   GLN  16           HA       GLN  16 -11.125  -9.593 -14.672
  100   1HB   GLN  16           HBS      GLN  16  -9.379  -9.972 -12.299
  101   2HB   GLN  16           HBR      GLN  16 -11.131 -10.257 -12.083
  102   1HG   GLN  16           HGS      GLN  16 -11.165 -11.987 -13.659
  103   2HG   GLN  16           HGR      GLN  16  -9.594 -11.503 -14.358
  104   1HE2  GLN  16           HE2      GLN  16  -8.204 -14.167 -12.629
  105   2HE2  GLN  16           HE2      GLN  16  -8.631 -13.466 -14.154
  106    H    ALA  17           HN       ALA  17 -12.999  -9.508 -13.065
  107    HA   ALA  17           HA       ALA  17 -13.166  -7.020 -11.531
  108   1HB   ALA  17           HMB      ALA  17 -15.017  -7.672 -13.829
  109   2HB   ALA  17           HMB      ALA  17 -15.489  -6.607 -12.480
  110   3HB   ALA  17           HMB      ALA  17 -14.105  -6.173 -13.515
  111    H    VAL  18           HN       VAL  18 -14.508  -7.186  -9.794
  112    HA   VAL  18           HA       VAL  18 -14.859  -9.985  -9.068
  113    HB   VAL  18           HB       VAL  18 -15.109  -7.699  -7.138
  114   1HG1  VAL  18           HMG      VAL  18 -14.599 -10.591  -7.001
  115   2HG1  VAL  18           HMG      VAL  18 -13.541  -9.595  -5.972
  116   3HG1  VAL  18           HMG      VAL  18 -15.311  -9.478  -5.807
  117   1HG2  VAL  18           HMG      VAL  18 -12.686  -8.432  -8.678
  118   2HG2  VAL  18           HMG      VAL  18 -13.157  -6.891  -7.924
  119   3HG2  VAL  18           HMG      VAL  18 -12.486  -8.199  -6.923
  120    OH   TYR  19           OH       TYR  19 -24.598 -12.150  -9.127
  121    H    TYR  19           HN       TYR  19 -16.623 -10.824  -7.933
  122    HA   TYR  19           HA       TYR  19 -19.182  -9.620  -8.630
  123   1HB   TYR  19           HBR      TYR  19 -18.453 -12.127  -8.744
  124   2HB   TYR  19           HBS      TYR  19 -18.867 -12.141  -7.006
  125    HD1  TYR  19           HD1      TYR  19 -20.309 -11.362 -10.382
  126    HD2  TYR  19           HD2      TYR  19 -21.100 -12.350  -6.322
  127    HE1  TYR  19           HE1      TYR  19 -22.696 -11.605 -10.912
  128    HE2  TYR  19           HE2      TYR  19 -23.490 -12.571  -6.833
  129    HH   TYR  19           HH       TYR  19 -24.699 -13.067  -9.705
  130    H    ALA  20           HN       ALA  20 -17.717  -8.078  -6.783
  131    HA   ALA  20           HA       ALA  20 -17.862  -7.016  -4.756
  132   1HB   ALA  20           HMB      ALA  20 -20.503  -7.683  -5.303
  133   2HB   ALA  20           HMB      ALA  20 -20.214  -8.346  -3.675
  134   3HB   ALA  20           HMB      ALA  20 -19.913  -6.621  -4.000
  135    H    ALA  21           HN       ALA  21 -15.982  -8.412  -4.465
  136    HA   ALA  21           HA       ALA  21 -16.421 -10.530  -2.441
  137   1HB   ALA  21           HMB      ALA  21 -16.039 -11.304  -4.971
  138   2HB   ALA  21           HMB      ALA  21 -14.339 -11.060  -4.496
  139   3HB   ALA  21           HMB      ALA  21 -15.371 -12.180  -3.570
  140    H    GLU  22           HN       GLU  22 -13.845  -8.873  -4.325
  141    HA   GLU  22           HA       GLU  22 -12.275  -8.654  -1.790
  142   1HB   GLU  22           HBS      GLU  22 -11.144  -9.343  -4.446
  143   2HB   GLU  22           HBR      GLU  22 -10.358  -9.467  -2.969
  144   1HG   GLU  22           HGS      GLU  22 -12.506 -11.144  -2.572
  145   2HG   GLU  22           HGR      GLU  22 -12.282 -11.362  -4.329
  146    H    LYS  23           HN       LYS  23 -13.900  -6.842  -3.691
  147    HA   LYS  23           HA       LYS  23 -11.799  -5.272  -5.013
  148   1HB   LYS  23           HBS      LYS  23 -13.741  -4.004  -5.962
  149   2HB   LYS  23           HBR      LYS  23 -13.723  -5.744  -6.363
  150   1HG   LYS  23           HGR      LYS  23 -15.897  -5.670  -5.774
  151   2HG   LYS  23           HGS      LYS  23 -15.269  -5.734  -4.101
  152   1HD   LYS  23           HDS      LYS  23 -15.301  -3.023  -5.118
  153   2HD   LYS  23           HDR      LYS  23 -16.866  -3.768  -5.284
  154   1HE   LYS  23           HES      LYS  23 -15.306  -3.746  -2.705
  155   2HE   LYS  23           HER      LYS  23 -16.552  -2.552  -3.164
  156   1HZ   LYS  23           HZB      LYS  23 -17.893  -4.739  -3.541
  157   2HZ   LYS  23           HZC      LYS  23 -16.858  -5.331  -2.425
  158   3HZ   LYS  23           HZA      LYS  23 -17.800  -4.045  -2.065
  159    H    VAL  24           HN       VAL  24 -11.878  -2.924  -4.969
  160    HA   VAL  24           HA       VAL  24 -12.082  -1.925  -2.204
  161    HB   VAL  24           HB       VAL  24 -10.332  -3.790  -2.655
  162   1HG1  VAL  24           HMG      VAL  24  -9.330  -2.222  -4.581
  163   2HG1  VAL  24           HMG      VAL  24  -8.359  -1.635  -3.209
  164   3HG1  VAL  24           HMG      VAL  24  -8.346  -3.364  -3.632
  165   1HG2  VAL  24           HMG      VAL  24  -9.745  -1.259  -1.105
  166   2HG2  VAL  24           HMG      VAL  24 -10.534  -2.750  -0.539
  167   3HG2  VAL  24           HMG      VAL  24  -8.806  -2.764  -0.968
  168    H    ILE  25           HN       ILE  25 -10.713   0.119  -1.987
  169    HA   ILE  25           HA       ILE  25 -10.630   1.667  -4.527
  170    HB   ILE  25           HB       ILE  25 -12.856   1.920  -3.410
  171   1HG1  ILE  25           HG1      ILE  25 -12.083   4.639  -3.037
  172   2HG1  ILE  25           HG1      ILE  25 -11.007   3.946  -4.283
  173   1HG2  ILE  25           HMG      ILE  25 -11.933   1.704  -1.054
  174   2HG2  ILE  25           HMG      ILE  25 -11.464   3.418  -1.195
  175   3HG2  ILE  25           HMG      ILE  25 -13.179   2.949  -1.326
  176   1HD1  ILE  25           HMD      ILE  25 -13.659   3.091  -4.863
  177   2HD1  ILE  25           HMD      ILE  25 -13.709   4.844  -4.533
  178   3HD1  ILE  25           HMD      ILE  25 -12.617   4.204  -5.789
  179    H    GLY  26           HN       GLY  26  -9.123   3.221  -4.651
  180   1HA   GLY  26           HAR      GLY  26  -7.958   4.398  -2.273
  181   2HA   GLY  26           HAS      GLY  26  -6.776   3.443  -3.207
  182    H    ALA  27           HN       ALA  27  -7.526   6.456  -2.697
  183    HA   ALA  27           HA       ALA  27  -7.016   8.405  -3.775
  184   1HB   ALA  27           HMB      ALA  27  -5.466   6.308  -5.111
  185   2HB   ALA  27           HMB      ALA  27  -5.773   7.734  -6.133
  186   3HB   ALA  27           HMB      ALA  27  -4.984   7.929  -4.547
  187    H    GLY  28           HN       GLY  28  -7.305   6.510  -6.758
  188   1HA   GLY  28           HAR      GLY  28 -10.081   7.310  -7.182
  189   2HA   GLY  28           HAS      GLY  28  -8.927   8.065  -8.313
  190    H    LYS  29           HN       LYS  29  -9.027   4.821  -6.798
  191    HA   LYS  29           HA       LYS  29  -9.154   3.558  -9.486
  192   1HB   LYS  29           HBR      LYS  29  -6.846   3.650  -7.627
  193   2HB   LYS  29           HBS      LYS  29  -7.274   2.035  -8.259
  194   1HG   LYS  29           HGR      LYS  29  -5.866   2.653  -9.936
  195   2HG   LYS  29           HGS      LYS  29  -7.341   3.443 -10.564
  196   1HD   LYS  29           HDS      LYS  29  -6.659   5.538  -9.449
  197   2HD   LYS  29           HDR      LYS  29  -5.196   4.757  -8.912
  198   1HE   LYS  29           HES      LYS  29  -5.982   5.516 -11.699
  199   2HE   LYS  29           HER      LYS  29  -4.518   5.931 -10.766
  200   1HZ   LYS  29           HZC      LYS  29  -5.167   3.206 -11.648
  201   2HZ   LYS  29           HZA      LYS  29  -4.198   4.221 -12.486
  202   3HZ   LYS  29           HZB      LYS  29  -3.765   3.726 -10.991
  203    H    SER  30           HN       SER  30  -9.816   1.424  -9.483
  204    HA   SER  30           HA       SER  30 -10.747   0.337  -6.872
  205   1HB   SER  30           HBS      SER  30 -12.289   0.724  -9.133
  206   2HB   SER  30           HBR      SER  30 -11.831  -1.002  -9.228
  207    HG   SER  30           HG       SER  30 -13.125   0.529  -7.127
  208    CH2  TRP  31           CH2      TRP  31  -3.736   1.591  -6.460
  209    H    TRP  31           HN       TRP  31 -10.179  -1.721  -6.345
  210    HA   TRP  31           HA       TRP  31  -8.269  -3.159  -8.074
  211   1HB   TRP  31           HBS      TRP  31  -7.322  -2.758  -5.309
  212   2HB   TRP  31           HBR      TRP  31  -6.429  -2.846  -6.853
  213    HD1  TRP  31           HD1      TRP  31  -9.000  -0.146  -5.689
  214    HE1  TRP  31           HE1      TRP  31  -7.811   2.130  -5.636
  215    HE3  TRP  31           HE3      TRP  31  -4.290  -1.742  -6.755
  216    HZ2  TRP  31           HZ2      TRP  31  -5.202   3.093  -6.002
  217    HZ3  TRP  31           HZ3      TRP  31  -2.476  -0.094  -6.802
  218    HH2  TRP  31           HH2      TRP  31  -2.924   2.286  -6.511
  219    H    HIS  32           HN       ZHI  32  -7.501  -5.175  -6.962
  220    HA   HIS  32           HA       ZHI  32  -9.597  -6.390  -5.257
  221   1HB   HIS  32           HBS      ZHI  32  -7.166  -7.591  -6.643
  222   2HB   HIS  32           HBR      ZHI  32  -8.118  -8.458  -5.402
  223    HD2  HIS  32           HD2      ZHI  32 -10.759  -9.099  -6.186
  224    HE1  HIS  32           HE1      ZHI  32 -10.012  -8.634 -10.297
  225    HE2  HIS  32           HE2      ZHI  32 -11.478  -9.762  -8.585
  226    H    LYS  33           HN       LYS  33  -9.116  -7.217  -3.225
  227    HA   LYS  33           HA       LYS  33  -7.187  -5.985  -1.578
  228   1HB   LYS  33           HBR      LYS  33  -7.616  -7.744   0.024
  229   2HB   LYS  33           HBS      LYS  33  -9.146  -7.184  -0.709
  230   1HG   LYS  33           HGR      LYS  33  -8.685  -9.241  -2.346
  231   2HG   LYS  33           HGS      LYS  33  -7.754  -9.830  -0.939
  232   1HD   LYS  33           HDS      LYS  33 -10.676  -9.070  -0.979
  233   2HD   LYS  33           HDR      LYS  33 -10.015 -10.682  -0.962
  234   1HE   LYS  33           HES      LYS  33  -8.856 -10.059   1.218
  235   2HE   LYS  33           HER      LYS  33  -9.926  -8.629   1.216
  236   1HZ   LYS  33           HZB      LYS  33 -11.079 -11.273   0.845
  237   2HZ   LYS  33           HZC      LYS  33 -10.661 -10.798   2.352
  238   3HZ   LYS  33           HZA      LYS  33 -11.748  -9.931   1.494
  239    H    SER  34           HN       SER  34  -6.881  -8.472  -3.941
  240    HA   SER  34           HA       SER  34  -4.119  -9.032  -3.003
  241   1HB   SER  34           HBR      SER  34  -6.189 -10.734  -3.904
  242   2HB   SER  34           HBS      SER  34  -4.934 -10.711  -5.178
  243    HG   SER  34           HG       SER  34  -3.325 -11.219  -3.754
  244    H    CYS  35           HN       CYS  35  -5.285  -6.696  -4.617
  245    HA   CYS  35           HA       CYS  35  -3.004  -6.732  -6.500
  246   1HB   CYS  35           HBS      CYS  35  -5.733  -5.554  -7.073
  247   2HB   CYS  35           HBR      CYS  35  -4.251  -5.209  -8.009
  248    H    PHE  36           HN       PHE  36  -3.551  -5.901  -3.684
  249    HA   PHE  36           HA       PHE  36  -3.286  -2.948  -3.940
  250   1HB   PHE  36           HBS      PHE  36  -5.323  -4.155  -2.670
  251   2HB   PHE  36           HBR      PHE  36  -4.128  -4.180  -1.339
  252    HD1  PHE  36           HD2      PHE  36  -2.723  -1.511  -2.013
  253    HD2  PHE  36           HD1      PHE  36  -6.831  -2.642  -1.937
  254    HE1  PHE  36           HE2      PHE  36  -3.335   0.764  -1.243
  255    HE2  PHE  36           HE1      PHE  36  -7.476  -0.334  -1.411
  256    HZ   PHE  36           HZ       PHE  36  -5.735   1.393  -1.149
  257    NH1  ARG  37           NH1      ARG  37   2.220  -3.122  -8.406
  258    NH2  ARG  37           NH2      ARG  37   1.988  -0.848  -8.176
  259    H    ARG  37           HN       ARG  37  -1.038  -3.033  -4.155
  260    HA   ARG  37           HA       ARG  37   0.457  -4.192  -1.852
  261   1HB   ARG  37           HBR      ARG  37   2.296  -4.546  -3.469
  262   2HB   ARG  37           HBS      ARG  37   0.822  -5.487  -3.840
  263   1HG   ARG  37           HGS      ARG  37   1.007  -4.738  -5.931
  264   2HG   ARG  37           HGR      ARG  37   0.520  -3.136  -5.309
  265   1HD   ARG  37           HDS      ARG  37   3.182  -3.222  -4.696
  266   2HD   ARG  37           HDR      ARG  37   3.115  -4.109  -6.244
  267    HE   ARG  37           HE       ARG  37   2.628  -1.272  -5.817
  268   1HH1  ARG  37           HH1      ARG  37   2.410  -4.022  -8.012
  269   2HH1  ARG  37           HH1      ARG  37   2.030  -3.035  -9.385
  270   1HH2  ARG  37           HH2      ARG  37   2.003  -0.027  -7.607
  271   2HH2  ARG  37           HH2      ARG  37   1.801  -0.775  -9.156
  272    H    CYS  38           HN       CYS  38   1.654  -2.883  -0.701
  273    HA   CYS  38           HA       CYS  38   2.329  -0.168  -1.323
  274   1HB   CYS  38           HBS      CYS  38   2.368  -1.296   0.938
  275   2HB   CYS  38           HBR      CYS  38   3.899  -2.062   0.426
  276    H    ALA  39           HN       ALA  39   3.205   0.183  -3.259
  277    HA   ALA  39           HA       ALA  39   5.368  -1.222  -4.442
  278   1HB   ALA  39           HMB      ALA  39   3.846   1.142  -4.925
  279   2HB   ALA  39           HMB      ALA  39   5.578   1.550  -5.035
  280   3HB   ALA  39           HMB      ALA  39   4.907   0.235  -6.034
  281    H    LYS  40           HN       LYS  40   5.209   0.721  -1.630
  282    HA   LYS  40           HA       LYS  40   7.710   2.107  -1.976
  283   1HB   LYS  40           HBS      LYS  40   5.526   2.692  -0.570
  284   2HB   LYS  40           HBR      LYS  40   6.441   1.860   0.720
  285   1HG   LYS  40           HGR      LYS  40   7.140   4.027   1.057
  286   2HG   LYS  40           HGS      LYS  40   8.389   3.471  -0.092
  287   1HD   LYS  40           HDS      LYS  40   6.074   4.522  -1.477
  288   2HD   LYS  40           HDR      LYS  40   6.679   5.671  -0.314
  289   1HE   LYS  40           HES      LYS  40   8.852   4.455  -1.801
  290   2HE   LYS  40           HER      LYS  40   7.645   5.244  -2.857
  291   1HZ   LYS  40           HZB      LYS  40   8.763   6.579  -0.502
  292   2HZ   LYS  40           HZC      LYS  40   9.483   6.665  -1.966
  293   3HZ   LYS  40           HZA      LYS  40   7.970   7.248  -1.764
  294    H    CYS  41           HN       CYS  41   6.608  -0.319   0.433
  295    HA   CYS  41           HA       CYS  41   9.463  -0.792   1.116
  296   1HB   CYS  41           HBR      CYS  41   8.713  -1.968   3.083
  297   2HB   CYS  41           HBS      CYS  41   8.126  -0.285   3.045
  298    H    GLY  42           HN       GLY  42   6.588  -2.154  -0.324
  299   1HA   GLY  42           HAR      GLY  42   6.813  -3.656  -2.183
  300   2HA   GLY  42           HAS      GLY  42   8.328  -4.275  -1.475
  301    H    LYS  43           HN       LYS  43   5.737  -3.705   0.727
  302    HA   LYS  43           HA       LYS  43   5.079  -6.608   0.829
  303   1HB   LYS  43           HBS      LYS  43   5.798  -5.274   2.934
  304   2HB   LYS  43           HBR      LYS  43   4.166  -4.553   2.836
  305   1HG   LYS  43           HGR      LYS  43   3.286  -6.967   2.798
  306   2HG   LYS  43           HGS      LYS  43   4.931  -7.450   3.303
  307   1HD   LYS  43           HDS      LYS  43   3.029  -5.641   4.793
  308   2HD   LYS  43           HDR      LYS  43   3.447  -7.287   5.185
  309   1HE   LYS  43           HES      LYS  43   5.496  -6.766   6.015
  310   2HE   LYS  43           HER      LYS  43   5.673  -5.345   4.947
  311   1HZ   LYS  43           HZA      LYS  43   3.570  -4.762   6.543
  312   2HZ   LYS  43           HZB      LYS  43   4.615  -5.493   7.564
  313   3HZ   LYS  43           HZC      LYS  43   5.089  -4.185   6.708
  314    H    SER  44           HN       SER  44   3.161  -7.286   0.186
  315    HA   SER  44           HA       SER  44   1.081  -5.378  -0.652
  316   1HB   SER  44           HBS      SER  44   0.400  -8.233  -0.583
  317   2HB   SER  44           HBR      SER  44   0.218  -7.024  -1.886
  318    HG   SER  44           HG       SER  44   1.680  -8.967  -2.124
  319    H    LEU  45           HN       LEU  45  -0.814  -5.062   0.369
  320    HA   LEU  45           HA       LEU  45  -1.636  -6.567   2.638
  321   1HB   LEU  45           HBR      LEU  45  -1.467  -4.513   4.216
  322   2HB   LEU  45           HBS      LEU  45  -0.060  -5.589   3.981
  323    HG   LEU  45           HG       LEU  45   0.816  -3.889   2.329
  324   1HD1  LEU  45           HMD      LEU  45  -1.675  -2.792   2.494
  325   2HD1  LEU  45           HMD      LEU  45  -0.775  -1.782   3.652
  326   3HD1  LEU  45           HMD      LEU  45  -0.215  -1.918   1.967
  327   1HD2  LEU  45           HMD      LEU  45   0.923  -4.108   5.112
  328   2HD2  LEU  45           HMD      LEU  45   2.054  -3.217   4.065
  329   3HD2  LEU  45           HMD      LEU  45   0.676  -2.370   4.813
  330    H    GLU  46           HN       GLU  46  -3.295  -4.853   3.904
  331    HA   GLU  46           HA       GLU  46  -5.166  -4.061   1.715
  332   1HB   GLU  46           HBS      GLU  46  -6.765  -5.483   2.610
  333   2HB   GLU  46           HBR      GLU  46  -5.426  -6.409   2.205
  334   1HG   GLU  46           HGS      GLU  46  -5.034  -5.668   4.906
  335   2HG   GLU  46           HGR      GLU  46  -6.779  -6.037   4.828
  336    H    SER  47           HN       SER  47  -7.376  -3.543   3.002
  337    HA   SER  47           HA       SER  47  -6.735  -0.948   3.908
  338   1HB   SER  47           HBR      SER  47  -9.461  -1.809   4.545
  339   2HB   SER  47           HBS      SER  47  -8.863  -0.493   3.495
  340    HG   SER  47           HG       SER  47  -9.652  -3.154   2.993
  341    H    THR  48           HN       THR  48  -7.811   0.035   5.884
  342    HA   THR  48           HA       THR  48  -7.575   0.373   8.130
  343    HB   THR  48           HB       THR  48  -7.569  -2.605   8.729
  344    HG1  THR  48           HG1      THR  48  -8.893  -2.663   7.461
  345   1HG2  THR  48           HMG      THR  48  -8.224  -0.126  10.152
  346   2HG2  THR  48           HMG      THR  48  -9.452  -1.405  10.332
  347   3HG2  THR  48           HMG      THR  48  -7.757  -1.729  10.779
  348    H    THR  49           HN       THR  49  -5.386  -0.463   6.150
  349    HA   THR  49           HA       THR  49  -3.149  -0.415   7.900
  350    HB   THR  49           HB       THR  49  -2.357  -2.837   6.957
  351    HG1  THR  49           HG1      THR  49  -3.850  -3.386   6.032
  352   1HG2  THR  49           HMG      THR  49  -2.652  -1.943   9.405
  353   2HG2  THR  49           HMG      THR  49  -4.116  -2.960   9.381
  354   3HG2  THR  49           HMG      THR  49  -2.517  -3.692   9.088
  355    H    LEU  50           HN       LEU  50  -4.279   0.793   5.490
  356    HA   LEU  50           HA       LEU  50  -1.774   0.874   4.012
  357   1HB   LEU  50           HBR      LEU  50  -2.687   0.332   1.867
  358   2HB   LEU  50           HBS      LEU  50  -2.976  -1.020   2.998
  359    HG   LEU  50           HG       LEU  50  -5.342  -0.013   3.246
  360   1HD1  LEU  50           HMD      LEU  50  -4.276   1.385   0.793
  361   2HD1  LEU  50           HMD      LEU  50  -6.008   1.001   0.966
  362   3HD1  LEU  50           HMD      LEU  50  -5.206   2.056   2.157
  363   1HD2  LEU  50           HMD      LEU  50  -4.386  -2.087   1.957
  364   2HD2  LEU  50           HMD      LEU  50  -6.057  -1.542   1.662
  365   3HD2  LEU  50           HMD      LEU  50  -4.765  -1.117   0.511
  366    H    ALA  51           HN       ALA  51  -2.072   2.507   2.127
  367    HA   ALA  51           HA       ALA  51  -3.868   4.741   2.733
  368   1HB   ALA  51           HMB      ALA  51  -1.273   4.433   4.008
  369   2HB   ALA  51           HMB      ALA  51  -1.363   5.915   3.023
  370   3HB   ALA  51           HMB      ALA  51  -2.569   5.621   4.302
  371    H    ASP  52           HN       ASP  52  -4.428   5.029   0.677
  372    HA   ASP  52           HA       ASP  52  -2.387   5.240  -1.385
  373   1HB   ASP  52           HBS      ASP  52  -4.385   5.750  -2.854
  374   2HB   ASP  52           HBR      ASP  52  -4.257   4.123  -2.123
  375    H    LYS  53           HN       LYS  53  -2.327   7.065  -2.875
  376    HA   LYS  53           HA       LYS  53  -2.960   9.723  -1.856
  377   1HB   LYS  53           HBS      LYS  53  -0.617  10.396  -1.560
  378   2HB   LYS  53           HBR      LYS  53  -1.144   9.190  -0.353
  379   1HG   LYS  53           HGR      LYS  53  -0.050   7.433  -1.874
  380   2HG   LYS  53           HGS      LYS  53   0.714   8.810  -2.719
  381   1HD   LYS  53           HDS      LYS  53   1.064   7.975   0.155
  382   2HD   LYS  53           HDR      LYS  53   2.233   7.918  -1.135
  383   1HE   LYS  53           HES      LYS  53   1.184  10.316   0.319
  384   2HE   LYS  53           HER      LYS  53   2.867   9.770   0.068
  385   1HZ   LYS  53           HZA      LYS  53   2.513  10.252  -2.301
  386   2HZ   LYS  53           HZB      LYS  53   1.063  10.917  -1.947
  387   3HZ   LYS  53           HZC      LYS  53   2.433  11.581  -1.355
  388    H    ASP  54           HN       ASP  54  -3.543  10.588  -3.712
  389    HA   ASP  54           HA       ASP  54  -3.366  11.550  -5.757
  390   1HB   ASP  54           HBS      ASP  54  -0.609  11.581  -4.623
  391   2HB   ASP  54           HBR      ASP  54  -0.883  12.169  -6.289
  392    H    GLY  55           HN       GLY  55  -3.161   8.543  -5.543
  393   1HA   GLY  55           HAR      GLY  55  -3.757   7.338  -7.531
  394   2HA   GLY  55           HAS      GLY  55  -2.479   8.210  -8.419
  395    H    GLU  56           HN       GLU  56  -0.616   7.879  -6.086
  396    HA   GLU  56           HA       GLU  56   0.001   4.966  -6.373
  397   1HB   GLU  56           HBR      GLU  56   1.961   6.983  -5.371
  398   2HB   GLU  56           HBS      GLU  56   2.200   5.462  -6.036
  399   1HG   GLU  56           HGS      GLU  56   1.428   6.196  -8.259
  400   2HG   GLU  56           HGR      GLU  56   1.367   7.886  -7.690
  401    H    ILE  57           HN       ILE  57   1.152   4.162  -4.359
  402    HA   ILE  57           HA       ILE  57  -0.326   5.037  -1.941
  403    HB   ILE  57           HB       ILE  57  -1.471   2.870  -1.810
  404   1HG1  ILE  57           HG1      ILE  57  -0.200   2.242  -4.504
  405   2HG1  ILE  57           HG1      ILE  57   0.281   1.538  -2.934
  406   1HG2  ILE  57           HMG      ILE  57  -2.345   4.864  -3.244
  407   2HG2  ILE  57           HMG      ILE  57  -2.065   3.752  -4.610
  408   3HG2  ILE  57           HMG      ILE  57  -3.175   3.287  -3.293
  409   1HD1  ILE  57           HMD      ILE  57  -2.547   1.170  -3.341
  410   2HD1  ILE  57           HMD      ILE  57  -1.642   0.574  -4.758
  411   3HD1  ILE  57           HMD      ILE  57  -1.260  -0.048  -3.129
  412    OH   TYR  58           OH       TYR  58   2.122   8.286   4.267
  413    H    TYR  58           HN       TYR  58   0.661   4.568  -0.103
  414    HA   TYR  58           HA       TYR  58   2.423   2.213  -0.048
  415   1HB   TYR  58           HBR      TYR  58   4.013   3.188   1.470
  416   2HB   TYR  58           HBS      TYR  58   3.924   4.219   0.014
  417    HD1  TYR  58           HD2      TYR  58   1.687   5.949   0.460
  418    HD2  TYR  58           HD1      TYR  58   4.460   4.507   3.343
  419    HE1  TYR  58           HE2      TYR  58   1.093   7.808   1.947
  420    HE2  TYR  58           HE1      TYR  58   3.896   6.380   4.831
  421    HH   TYR  58           HH       TYR  58   2.977   8.953   4.177
  422    H    CYS  59           HN       CYS  59   2.830   1.926   2.564
  423    HA   CYS  59           HA       CYS  59   0.035   1.223   3.112
  424   1HB   CYS  59           HBR      CYS  59   0.752  -0.850   3.854
  425   2HB   CYS  59           HBS      CYS  59   1.642  -0.469   2.361
  426    H    LYS  60           HN       LYS  60  -0.572   0.567   5.325
  427    HA   LYS  60           HA       LYS  60   0.081   2.701   7.258
  428   1HB   LYS  60           HBS      LYS  60  -2.232   1.401   6.855
  429   2HB   LYS  60           HBR      LYS  60  -1.484   0.281   8.030
  430   1HG   LYS  60           HGR      LYS  60  -1.425   1.909   9.726
  431   2HG   LYS  60           HGS      LYS  60  -1.643   3.255   8.571
  432   1HD   LYS  60           HDS      LYS  60  -3.720   1.204   9.346
  433   2HD   LYS  60           HDR      LYS  60  -3.619   2.846   9.921
  434   1HE   LYS  60           HES      LYS  60  -3.796   2.324   6.979
  435   2HE   LYS  60           HER      LYS  60  -5.248   2.275   8.017
  436   1HZ   LYS  60           HZA      LYS  60  -3.688   4.550   8.552
  437   2HZ   LYS  60           HZB      LYS  60  -4.065   4.492   6.965
  438   3HZ   LYS  60           HZC      LYS  60  -5.251   4.456   8.086
  439    H    GLY  61           HN       GLY  61   1.066  -0.450   6.283
  440   1HA   GLY  61           HAR      GLY  61   2.573  -1.261   8.566
  441   2HA   GLY  61           HAS      GLY  61   2.926  -1.664   6.865
  442    H    CYS  62           HN       CYS  62   2.821   1.471   6.516
  443    HA   CYS  62           HA       CYS  62   5.732   1.686   6.905
  444   1HB   CYS  62           HBS      CYS  62   3.788   2.276   4.778
  445   2HB   CYS  62           HBR      CYS  62   4.978   3.579   5.046
  446    OH   TYR  63           OH       TYR  63   1.410  11.185   7.314
  447    H    TYR  63           HN       TYR  63   2.801   3.725   6.915
  448    HA   TYR  63           HA       TYR  63   3.868   5.915   8.380
  449   1HB   TYR  63           HBR      TYR  63   1.335   5.088   7.401
  450   2HB   TYR  63           HBS      TYR  63   1.149   5.353   9.158
  451    HD1  TYR  63           HD1      TYR  63   2.737   7.634   9.808
  452    HD2  TYR  63           HD2      TYR  63   0.572   6.913   6.219
  453    HE1  TYR  63           HE1      TYR  63   2.545  10.057   9.445
  454    HE2  TYR  63           HE2      TYR  63   0.387   9.330   5.835
  455    HH   TYR  63           HH       TYR  63   2.417  11.425   6.976
  456    H    ALA  64           HN       ALA  64   3.097   2.652   9.254
  457    HA   ALA  64           HA       ALA  64   3.235   3.222  12.117
  458   1HB   ALA  64           HMB      ALA  64   3.021   0.624  10.567
  459   2HB   ALA  64           HMB      ALA  64   2.898   0.800  12.337
  460   3HB   ALA  64           HMB      ALA  64   1.680   1.558  11.280
  461    H    LYS  65           HN       LYS  65   5.075   1.157   9.830
  462    HA   LYS  65           HA       LYS  65   6.890   0.224  11.714
  463   1HB   LYS  65           HBS      LYS  65   6.550  -0.785   9.496
  464   2HB   LYS  65           HBR      LYS  65   7.383   0.604   8.742
  465   1HG   LYS  65           HGR      LYS  65   9.155  -0.831   8.841
  466   2HG   LYS  65           HGS      LYS  65   9.298  -0.134  10.480
  467   1HD   LYS  65           HDS      LYS  65   9.230  -2.175  11.279
  468   2HD   LYS  65           HDR      LYS  65   7.536  -2.170  10.875
  469   1HE   LYS  65           HES      LYS  65   9.792  -3.296   9.234
  470   2HE   LYS  65           HER      LYS  65   8.429  -4.156  10.005
  471   1HZ   LYS  65           HZB      LYS  65   7.247  -2.340   8.412
  472   2HZ   LYS  65           HZC      LYS  65   8.525  -2.809   7.510
  473   3HZ   LYS  65           HZA      LYS  65   7.459  -3.919   8.054
  474    H    ASN  66           HN       ASN  66   6.823   3.263  10.037
  475    HA   ASN  66           HA       ASN  66   9.555   3.856  11.012
  476   1HB   ASN  66           HBR      ASN  66   8.516   3.988   8.451
  477   2HB   ASN  66           HBS      ASN  66   8.564   5.688   9.002
  478   1HD2  ASN  66           HD2      ASN  66  11.924   3.790   7.841
  479   2HD2  ASN  66           HD2      ASN  66  10.331   3.137   7.647
  480    H    PHE  67           HN       PHE  67   7.267   4.003  12.695
  481    HA   PHE  67           HA       PHE  67   6.642   6.807  12.997
  482   1HB   PHE  67           HBS      PHE  67   5.319   4.548  13.770
  483   2HB   PHE  67           HBR      PHE  67   6.105   5.011  15.308
  484    HD1  PHE  67           HD2      PHE  67   5.793   7.615  15.959
  485    HD2  PHE  67           HD1      PHE  67   3.353   5.417  13.243
  486    HE1  PHE  67           HE2      PHE  67   4.005   9.306  16.204
  487    HE2  PHE  67           HE1      PHE  67   1.566   7.082  13.467
  488    HZ   PHE  67           HZ       PHE  67   1.912   9.060  14.900
  489    H    GLY  68           HN       GLY  68   8.761   4.467  14.607
  490   1HA   GLY  68           HAR      GLY  68   9.527   6.496  16.641
  491   2HA   GLY  68           HAS      GLY  68   9.796   4.734  16.748
  492    HA   PRO  69           HA       PRO  69  12.907   7.133  13.845
  493   1HB   PRO  69           HBR      PRO  69  13.749   9.206  15.518
  494   2HB   PRO  69           HBS      PRO  69  13.214   9.308  13.969
  495   1HG   PRO  69           HGS      PRO  69  11.869  10.145  16.093
  496   2HG   PRO  69           HGR      PRO  69  11.195   9.870  14.592
  497   1HD   PRO  69           HDS      PRO  69  10.969   8.315  16.917
  498   2HD   PRO  69           HDR      PRO  69  10.014   8.291  15.568
  499    H    LYS  70           HN       LYS  70  13.933   5.222  14.084
  500    HA   LYS  70           HA       LYS  70  15.840   4.023  14.490
  501   1HB   LYS  70           HBR      LYS  70  17.069   6.489  15.712
  502   2HB   LYS  70           HBS      LYS  70  17.835   5.186  14.760
  503   1HG   LYS  70           HGR      LYS  70  16.049   7.428  13.752
  504   2HG   LYS  70           HGS      LYS  70  17.775   7.149  13.384
  505   1HD   LYS  70           HDS      LYS  70  17.282   5.891  11.662
  506   2HD   LYS  70           HDR      LYS  70  16.383   4.805  12.685
  507   1HE   LYS  70           HES      LYS  70  14.621   5.350  11.447
  508   2HE   LYS  70           HER      LYS  70  14.608   6.846  12.425
  509   1HZ   LYS  70           HZB      LYS  70  16.400   7.322  10.463
  510   2HZ   LYS  70           HZC      LYS  70  15.222   6.502   9.683
  511   3HZ   LYS  70           HZA      LYS  70  14.861   7.866  10.505
  512    H    GLY  71           HN       GLY  71  17.755   4.079  16.420
  513   1HA   GLY  71           HAS      GLY  71  16.124   3.108  18.710
  514   2HA   GLY  71           HAR      GLY  71  17.687   2.439  18.168
  515    H    PHE  72           HN       PHE  72  19.573   3.301  18.898
  516    HA   PHE  72           HA       PHE  72  19.230   4.893  21.340
  517   1HB   PHE  72           HBS      PHE  72  21.715   3.396  20.403
  518   2HB   PHE  72           HBR      PHE  72  21.407   4.088  22.023
  519    HD1  PHE  72           HD1      PHE  72  20.068   1.699  19.556
  520    HD2  PHE  72           HD2      PHE  72  20.520   2.605  23.695
  521    HE1  PHE  72           HE1      PHE  72  18.980  -0.427  20.118
  522    HE2  PHE  72           HE2      PHE  72  19.448   0.456  24.288
  523    HZ   PHE  72           HZ       PHE  72  18.622  -1.028  22.483
  524    H    GLY  73           HN       GLY  73  21.300   6.182  21.937
  525   1HA   GLY  73           HAS      GLY  73  22.019   7.980  19.667
  526   2HA   GLY  73           HAR      GLY  73  22.168   8.383  21.398
  527    H    PHE  74           HN       PHE  74  24.338   8.845  19.995
  528    HA   PHE  74           HA       PHE  74  26.123   6.486  20.338
  529   1HB   PHE  74           HBR      PHE  74  25.880   8.423  18.023
  530   2HB   PHE  74           HBS      PHE  74  27.427   7.601  18.376
  531    HD1  PHE  74           HD2      PHE  74  23.761   6.682  17.959
  532    HD2  PHE  74           HD1      PHE  74  27.862   5.656  17.419
  533    HE1  PHE  74           HE2      PHE  74  23.084   4.668  16.693
  534    HE2  PHE  74           HE1      PHE  74  27.217   3.653  16.159
  535    HZ   PHE  74           HZ       PHE  74  24.831   3.190  15.740
  536    H    GLY  75           HN       GLY  75  25.540   9.834  20.898
  537   1HA   GLY  75           HAS      GLY  75  26.851  11.260  22.334
  538   2HA   GLY  75           HAR      GLY  75  28.275  10.237  22.009
  539    H    GLN  76           HN       GLN  76  27.946   9.971  19.203
  540    HA   GLN  76           HA       GLN  76  28.174  10.973  17.180
  541   1HB   GLN  76           HBS      GLN  76  26.037  12.164  18.236
  542   2HB   GLN  76           HBR      GLN  76  27.107  13.590  18.111
  543   1HG   GLN  76           HGS      GLN  76  27.417  13.162  15.726
  544   2HG   GLN  76           HGR      GLN  76  26.376  11.714  15.843
  545   1HE2  GLN  76           HE2      GLN  76  24.418  15.223  16.699
  546   2HE2  GLN  76           HE2      GLN  76  25.899  14.806  17.492
  547    H    GLY  77           HN       GLY  77  28.575  13.849  19.258
  548   1HA   GLY  77           HAS      GLY  77  30.946  14.752  19.564
  549   2HA   GLY  77           HAR      GLY  77  31.157  14.344  17.840
  550    H    ALA  78           HN       ALA  78  31.634  16.848  18.325
  551    HA   ALA  78           HA       ALA  78  31.087  19.043  17.967
  552   1HB   ALA  78           HMB      ALA  78  29.367  17.612  16.211
  553   2HB   ALA  78           HMB      ALA  78  28.409  18.896  16.993
  554   3HB   ALA  78           HMB      ALA  78  29.907  19.308  16.118
  555    H    GLY  79           HN       GLY  79  28.641  20.354  18.229
  556   1HA   GLY  79           HAR      GLY  79  26.772  19.499  20.026
  557   2HA   GLY  79           HAS      GLY  79  28.034  20.188  21.080
  558    H    ALA  80           HN       ALA  80  26.212  21.656  21.611
  559    HA   ALA  80           HA       ALA  80  25.909  23.851  19.613
  560   1HB   ALA  80           HMB      ALA  80  23.929  22.183  21.043
  561   2HB   ALA  80           HMB      ALA  80  23.596  23.933  21.009
  562   3HB   ALA  80           HMB      ALA  80  23.818  23.039  19.484
  563    H    LEU  81           HN       LEU  81  25.589  25.927  20.423
  564    HA   LEU  81           HA       LEU  81  25.760  27.705  21.846
  565   1HB   LEU  81           HBR      LEU  81  25.335  25.886  24.197
  566   2HB   LEU  81           HBS      LEU  81  24.772  27.557  23.919
  567    HG   LEU  81           HG       LEU  81  23.673  25.071  22.580
  568   1HD1  LEU  81           HMD      LEU  81  23.102  26.401  25.118
  569   2HD1  LEU  81           HMD      LEU  81  21.679  26.330  24.050
  570   3HD1  LEU  81           HMD      LEU  81  22.536  24.832  24.492
  571   1HD2  LEU  81           HMD      LEU  81  23.059  28.028  22.436
  572   2HD2  LEU  81           HMD      LEU  81  23.422  26.897  21.108
  573   3HD2  LEU  81           HMD      LEU  81  21.868  26.786  21.974
  574    H    ILE  82           HN       ILE  82  26.991  25.193  24.055
  575    HA   ILE  82           HA       ILE  82  29.275  26.917  24.613
  576    HB   ILE  82           HB       ILE  82  27.848  25.753  26.370
  577   1HG1  ILE  82           HG1      ILE  82  30.429  24.790  27.204
  578   2HG1  ILE  82           HG1      ILE  82  30.651  26.260  26.213
  579   1HG2  ILE  82           HMG      ILE  82  29.301  23.316  25.341
  580   2HG2  ILE  82           HMG      ILE  82  28.587  23.416  26.972
  581   3HG2  ILE  82           HMG      ILE  82  27.546  23.567  25.532
  582   1HD1  ILE  82           HMD      ILE  82  28.652  26.184  28.469
  583   2HD1  ILE  82           HMD      ILE  82  30.379  26.517  28.765
  584   3HD1  ILE  82           HMD      ILE  82  29.434  27.590  27.698
  585    H    HIS  83           HN       HIS  83  28.605  23.872  22.992
  586    HA   HIS  83           HA       HIS  83  29.833  22.686  21.485
  587   1HB   HIS  83           HBR      HIS  83  31.948  24.870  21.666
  588   2HB   HIS  83           HBS      HIS  83  31.717  23.671  20.362
  589    HD1  HIS  83           HD1      HIS  83  31.337  27.094  20.572
  590    HD2  HIS  83           HD2      HIS  83  28.609  24.067  19.706
  591    HE1  HIS  83           HE1      HIS  83  29.534  28.143  19.182
  592    HE2  HIS  83           HE2      HIS  83  27.892  26.312  18.637
  593    H    SER  84           HN       SER  84  32.533  24.196  23.262
  594    HA   SER  84           HA       SER  84  34.283  23.297  24.426
  595   1HB   SER  84           HBS      SER  84  33.673  21.831  26.194
  596   2HB   SER  84           HBR      SER  84  32.340  22.995  25.947
  597    HG   SER  84           HG       SER  84  30.995  21.533  25.441
  598    H    GLN  85           HN       GLN  85  35.708  22.566  22.965
  599    HA   GLN  85           HA       GLN  85  35.597  19.656  22.364
  600   1HB   GLN  85           HBR      GLN  85  37.669  20.400  20.870
  601   2HB   GLN  85           HBS      GLN  85  35.981  20.394  20.285
  602   1HG   GLN  85           HGS      GLN  85  37.090  22.425  19.593
  603   2HG   GLN  85           HGR      GLN  85  35.817  22.800  20.788
  604   1HE2  GLN  85           HE2      GLN  85  39.794  23.075  21.888
  605   2HE2  GLN  85           HE2      GLN  85  39.286  21.924  20.698
   
  Start of MODEL           3
 Raw file had  605 H/Q atoms
  Start of MODEL    3
    1   1H    MET   1           HNB      MET   1 -18.140  -0.551 -16.917
    2   2H    MET   1           HNC      MET   1 -17.082  -1.770 -17.160
    3   3H    MET   1           HN       MET   1 -18.475  -1.718 -18.009
    4    HA   MET   1           HA       MET   1 -19.278  -3.116 -16.568
    5   1HB   MET   1           HBR      MET   1 -17.082  -2.172 -14.697
    6   2HB   MET   1           HBS      MET   1 -18.210  -3.519 -14.376
    7   1HG   MET   1           HGS      MET   1 -17.339  -4.777 -16.262
    8   2HG   MET   1           HGR      MET   1 -16.368  -3.381 -16.792
    9   1HE   MET   1           HME      MET   1 -17.250  -5.005 -13.353
   10   2HE   MET   1           HME      MET   1 -16.646  -6.403 -14.275
   11   3HE   MET   1           HME      MET   1 -15.727  -5.796 -12.875
   12    H    ALA   2           HN       ALA   2 -18.162  -0.468 -14.438
   13    HA   ALA   2           HA       ALA   2 -19.283   1.127 -13.240
   14   1HB   ALA   2           HMB      ALA   2 -20.514   0.992 -15.807
   15   2HB   ALA   2           HMB      ALA   2 -21.787   1.244 -14.587
   16   3HB   ALA   2           HMB      ALA   2 -20.406   2.367 -14.679
   17    H    GLN   3           HN       GLN   3 -22.197  -0.578 -14.340
   18    HA   GLN   3           HA       GLN   3 -22.714  -1.512 -11.582
   19   1HB   GLN   3           HBS      GLN   3 -23.714   0.913 -12.542
   20   2HB   GLN   3           HBR      GLN   3 -25.067  -0.244 -12.686
   21   1HG   GLN   3           HGS      GLN   3 -25.207  -0.582 -10.424
   22   2HG   GLN   3           HGR      GLN   3 -23.488  -0.186 -10.146
   23   1HE2  GLN   3           HE2      GLN   3 -25.917   3.051 -10.912
   24   2HE2  GLN   3           HE2      GLN   3 -25.977   1.638 -11.912
   25    H    LYS   4           HN       LYS   4 -22.182  -2.695 -14.289
   26    HA   LYS   4           HA       LYS   4 -24.702  -4.242 -14.581
   27   1HB   LYS   4           HBS      LYS   4 -23.154  -2.987 -16.476
   28   2HB   LYS   4           HBR      LYS   4 -22.560  -4.672 -16.549
   29   1HG   LYS   4           HGR      LYS   4 -24.419  -4.166 -18.155
   30   2HG   LYS   4           HGS      LYS   4 -24.774  -5.502 -17.023
   31   1HD   LYS   4           HDS      LYS   4 -25.624  -2.788 -16.191
   32   2HD   LYS   4           HDR      LYS   4 -26.440  -3.465 -17.574
   33   1HE   LYS   4           HES      LYS   4 -26.170  -5.360 -15.359
   34   2HE   LYS   4           HER      LYS   4 -27.127  -3.898 -14.986
   35   1HZ   LYS   4           HZB      LYS   4 -27.611  -5.403 -17.440
   36   2HZ   LYS   4           HZC      LYS   4 -28.279  -5.890 -16.031
   37   3HZ   LYS   4           HZA      LYS   4 -28.620  -4.407 -16.627
   38    H    VAL   5           HN       VAL   5 -23.833  -6.459 -15.823
   39    HA   VAL   5           HA       VAL   5 -23.187  -8.593 -15.373
   40    HB   VAL   5           HB       VAL   5 -20.854  -8.871 -15.136
   41   1HG1  VAL   5           HMG      VAL   5 -21.687  -6.491 -16.768
   42   2HG1  VAL   5           HMG      VAL   5 -19.986  -7.016 -16.733
   43   3HG1  VAL   5           HMG      VAL   5 -21.251  -8.137 -17.288
   44   1HG2  VAL   5           HMG      VAL   5 -20.561  -7.345 -13.171
   45   2HG2  VAL   5           HMG      VAL   5 -19.281  -7.247 -14.404
   46   3HG2  VAL   5           HMG      VAL   5 -20.528  -5.979 -14.314
   47    H    GLY   6           HN       GLY   6 -24.759  -7.509 -13.322
   48   1HA   GLY   6           HAS      GLY   6 -25.497  -8.693 -11.345
   49   2HA   GLY   6           HAR      GLY   6 -23.806  -9.169 -11.035
   50    H    GLY   7           HN       GLY   7 -24.844  -8.184  -8.918
   51   1HA   GLY   7           HAR      GLY   7 -24.211  -5.285  -8.714
   52   2HA   GLY   7           HAS      GLY   7 -24.940  -6.300  -7.440
   53    H    SER   8           HN       SER   8 -21.977  -5.523  -9.196
   54    HA   SER   8           HA       SER   8 -20.333  -6.653  -7.009
   55   1HB   SER   8           HBS      SER   8 -19.347  -7.327  -9.686
   56   2HB   SER   8           HBR      SER   8 -19.435  -8.311  -8.196
   57    HG   SER   8           HG       SER   8 -20.680  -8.916 -10.203
   58    H    ASP   9           HN       ASP   9 -17.910  -6.488  -8.427
   59    HA   ASP   9           HA       ASP   9 -17.742  -3.909  -9.671
   60   1HB   ASP   9           HBR      ASP   9 -17.286  -3.886  -6.925
   61   2HB   ASP   9           HBS      ASP   9 -15.665  -3.846  -7.675
   62    H    GLY  10           HN       GLY  10 -15.068  -3.541  -9.800
   63   1HA   GLY  10           HAS      GLY  10 -13.895  -6.060 -10.830
   64   2HA   GLY  10           HAR      GLY  10 -14.337  -4.794 -12.008
   65    H    CYS  11           HN       CYS  11 -11.760  -5.588 -11.868
   66    HA   CYS  11           HA       CYS  11 -10.334  -3.616 -10.161
   67   1HB   CYS  11           HBS      CYS  11 -10.271  -6.148  -9.684
   68   2HB   CYS  11           HBR      CYS  11  -9.247  -6.245 -11.145
   69    HA   PRO  12           HA       PRO  12  -8.634  -2.008 -13.961
   70   1HB   PRO  12           HBR      PRO  12  -7.537  -0.079 -12.267
   71   2HB   PRO  12           HBS      PRO  12  -8.559   0.148 -13.532
   72   1HG   PRO  12           HGS      PRO  12  -9.215   0.440 -10.981
   73   2HG   PRO  12           HGR      PRO  12 -10.310   0.273 -12.231
   74   1HD   PRO  12           HDS      PRO  12  -9.586  -1.612 -10.281
   75   2HD   PRO  12           HDR      PRO  12 -10.921  -1.603 -11.258
   76    NH1  ARG  13           NH1      ARG  13  -0.922  -3.465 -12.299
   77    NH2  ARG  13           NH2      ARG  13   0.144  -1.684 -11.317
   78    H    ARG  13           HN       ARG  13  -7.377  -3.342 -11.205
   79    HA   ARG  13           HA       ARG  13  -4.610  -2.725 -11.793
   80   1HB   ARG  13           HBS      ARG  13  -6.015  -3.329  -9.509
   81   2HB   ARG  13           HBR      ARG  13  -5.139  -4.853  -9.830
   82   1HG   ARG  13           HGS      ARG  13  -3.928  -2.091  -9.481
   83   2HG   ARG  13           HGR      ARG  13  -3.847  -3.454  -8.330
   84   1HD   ARG  13           HDS      ARG  13  -2.209  -4.463  -9.449
   85   2HD   ARG  13           HDR      ARG  13  -2.935  -4.096 -11.039
   86    HE   ARG  13           HE       ARG  13  -1.650  -1.866  -9.614
   87   1HH1  ARG  13           HH1      ARG  13  -1.651  -4.151 -12.300
   88   2HH1  ARG  13           HH1      ARG  13  -0.275  -3.424 -13.060
   89   1HH2  ARG  13           HH2      ARG  13   0.223  -1.022 -10.572
   90   2HH2  ARG  13           HH2      ARG  13   0.785  -1.653 -12.084
   91    H    CYS  14           HN       CYS  14  -6.355  -5.836 -11.373
   92    HA   CYS  14           HA       CYS  14  -4.106  -7.182 -12.764
   93   1HB   CYS  14           HBS      CYS  14  -5.114  -9.271 -11.934
   94   2HB   CYS  14           HBR      CYS  14  -4.586  -8.149 -10.648
   95    H    GLY  15           HN       GLY  15  -7.302  -6.049 -13.197
   96   1HA   GLY  15           HAR      GLY  15  -8.342  -5.767 -15.288
   97   2HA   GLY  15           HAS      GLY  15  -7.197  -6.931 -16.005
   98    H    GLN  16           HN       GLN  16  -8.618  -7.849 -13.002
   99    HA   GLN  16           HA       GLN  16 -10.519  -9.668 -14.364
  100   1HB   GLN  16           HBR      GLN  16  -9.034  -9.809 -11.836
  101   2HB   GLN  16           HBS      GLN  16 -10.766 -10.225 -11.699
  102   1HG   GLN  16           HGS      GLN  16 -10.510 -12.164 -12.788
  103   2HG   GLN  16           HGR      GLN  16  -9.425 -11.444 -14.011
  104   1HE2  GLN  16           HE2      GLN  16  -7.812 -12.815 -10.457
  105   2HE2  GLN  16           HE2      GLN  16  -9.416 -12.165 -10.504
  106    H    ALA  17           HN       ALA  17 -12.656  -9.889 -13.325
  107    HA   ALA  17           HA       ALA  17 -13.572  -7.384 -12.005
  108   1HB   ALA  17           HMB      ALA  17 -14.919  -8.992 -14.170
  109   2HB   ALA  17           HMB      ALA  17 -15.850  -8.002 -13.018
  110   3HB   ALA  17           HMB      ALA  17 -14.637  -7.235 -14.074
  111    H    VAL  18           HN       VAL  18 -14.920  -7.653 -10.281
  112    HA   VAL  18           HA       VAL  18 -14.627 -10.343  -9.091
  113    HB   VAL  18           HB       VAL  18 -15.035  -7.773  -7.575
  114   1HG1  VAL  18           HMG      VAL  18 -14.379 -10.543  -6.896
  115   2HG1  VAL  18           HMG      VAL  18 -13.282  -9.348  -6.162
  116   3HG1  VAL  18           HMG      VAL  18 -15.038  -9.229  -5.892
  117   1HG2  VAL  18           HMG      VAL  18 -12.594  -8.664  -9.019
  118   2HG2  VAL  18           HMG      VAL  18 -13.176  -7.028  -8.626
  119   3HG2  VAL  18           HMG      VAL  18 -12.387  -8.018  -7.373
  120    OH   TYR  19           OH       TYR  19 -16.032 -16.923  -6.285
  121    H    TYR  19           HN       TYR  19 -16.224 -11.424  -8.149
  122    HA   TYR  19           HA       TYR  19 -18.952 -10.246  -8.247
  123   1HB   TYR  19           HBR      TYR  19 -19.811 -12.478  -8.126
  124   2HB   TYR  19           HBS      TYR  19 -18.589 -12.410  -9.427
  125    HD1  TYR  19           HD2      TYR  19 -16.168 -13.139  -8.694
  126    HD2  TYR  19           HD1      TYR  19 -19.707 -14.283  -6.632
  127    HE1  TYR  19           HE2      TYR  19 -14.997 -15.096  -7.788
  128    HE2  TYR  19           HE1      TYR  19 -18.543 -16.242  -5.710
  129    HH   TYR  19           HH       TYR  19 -16.575 -17.210  -5.386
  130    H    ALA  20           HN       ALA  20 -20.179 -10.067  -6.457
  131    HA   ALA  20           HA       ALA  20 -20.581  -9.553  -4.259
  132   1HB   ALA  20           HMB      ALA  20 -19.082 -12.150  -4.179
  133   2HB   ALA  20           HMB      ALA  20 -19.514 -11.320  -2.662
  134   3HB   ALA  20           HMB      ALA  20 -20.790 -11.797  -3.811
  135    H    ALA  21           HN       ALA  21 -18.011  -8.621  -5.656
  136    HA   ALA  21           HA       ALA  21 -16.401  -7.079  -5.145
  137   1HB   ALA  21           HMB      ALA  21 -18.592  -6.392  -3.809
  138   2HB   ALA  21           HMB      ALA  21 -17.534  -6.710  -2.411
  139   3HB   ALA  21           HMB      ALA  21 -17.053  -5.509  -3.638
  140    H    GLU  22           HN       GLU  22 -14.425  -7.800  -4.923
  141    HA   GLU  22           HA       GLU  22 -13.577  -8.694  -2.208
  142   1HB   GLU  22           HBS      GLU  22 -13.521 -10.267  -4.290
  143   2HB   GLU  22           HBR      GLU  22 -12.155  -9.415  -4.760
  144   1HG   GLU  22           HGS      GLU  22 -12.650 -11.254  -2.449
  145   2HG   GLU  22           HGR      GLU  22 -11.201 -11.243  -3.492
  146    H    LYS  23           HN       LYS  23 -13.957  -6.085  -3.703
  147    HA   LYS  23           HA       LYS  23 -11.227  -5.376  -4.524
  148   1HB   LYS  23           HBS      LYS  23 -12.344  -3.469  -5.645
  149   2HB   LYS  23           HBR      LYS  23 -12.957  -5.065  -6.161
  150   1HG   LYS  23           HGR      LYS  23 -14.987  -4.111  -5.882
  151   2HG   LYS  23           HGS      LYS  23 -14.709  -4.461  -4.152
  152   1HD   LYS  23           HDS      LYS  23 -14.488  -2.325  -3.595
  153   2HD   LYS  23           HDR      LYS  23 -13.503  -1.963  -4.986
  154   1HE   LYS  23           HES      LYS  23 -15.670  -0.724  -4.879
  155   2HE   LYS  23           HER      LYS  23 -15.354  -1.625  -6.390
  156   1HZ   LYS  23           HZA      LYS  23 -16.687  -3.438  -5.288
  157   2HZ   LYS  23           HZB      LYS  23 -17.197  -2.310  -4.223
  158   3HZ   LYS  23           HZC      LYS  23 -17.515  -2.134  -5.815
  159    H    VAL  24           HN       VAL  24 -10.610  -3.041  -4.282
  160    HA   VAL  24           HA       VAL  24 -11.594  -1.879  -1.731
  161    HB   VAL  24           HB       VAL  24  -9.295  -0.693  -1.745
  162   1HG1  VAL  24           HMG      VAL  24 -10.273  -2.639  -0.226
  163   2HG1  VAL  24           HMG      VAL  24  -8.950  -3.555  -0.986
  164   3HG1  VAL  24           HMG      VAL  24  -8.594  -2.068  -0.074
  165   1HG2  VAL  24           HMG      VAL  24  -8.927  -2.505  -3.936
  166   2HG2  VAL  24           HMG      VAL  24  -7.831  -1.255  -3.300
  167   3HG2  VAL  24           HMG      VAL  24  -7.784  -2.903  -2.631
  168    H    ILE  25           HN       ILE  25 -10.682   0.604  -1.881
  169    HA   ILE  25           HA       ILE  25 -10.544   1.703  -4.516
  170    HB   ILE  25           HB       ILE  25 -12.993   1.424  -4.445
  171   1HG1  ILE  25           HG1      ILE  25 -13.197   4.255  -4.306
  172   2HG1  ILE  25           HG1      ILE  25 -11.530   3.884  -4.830
  173   1HG2  ILE  25           HMG      ILE  25 -13.075   1.706  -1.871
  174   2HG2  ILE  25           HMG      ILE  25 -13.223   3.446  -2.239
  175   3HG2  ILE  25           HMG      ILE  25 -14.434   2.296  -2.865
  176   1HD1  ILE  25           HMD      ILE  25 -12.576   2.361  -6.582
  177   2HD1  ILE  25           HMD      ILE  25 -14.134   3.123  -6.165
  178   3HD1  ILE  25           HMD      ILE  25 -12.799   4.117  -6.808
  179    H    GLY  26           HN       GLY  26  -9.746   3.777  -4.516
  180   1HA   GLY  26           HAR      GLY  26  -9.282   5.325  -2.096
  181   2HA   GLY  26           HAS      GLY  26  -7.893   4.306  -2.559
  182    H    ALA  27           HN       ALA  27  -8.651   7.321  -2.628
  183    HA   ALA  27           HA       ALA  27  -7.893   9.129  -3.816
  184   1HB   ALA  27           HMB      ALA  27  -5.810   7.885  -4.105
  185   2HB   ALA  27           HMB      ALA  27  -6.492   7.060  -5.530
  186   3HB   ALA  27           HMB      ALA  27  -6.225   8.822  -5.564
  187    H    GLY  28           HN       GLY  28  -7.942   6.925  -6.588
  188   1HA   GLY  28           HAS      GLY  28 -10.735   7.540  -7.201
  189   2HA   GLY  28           HAR      GLY  28  -9.564   8.145  -8.404
  190    H    LYS  29           HN       LYS  29  -8.743   5.314  -6.568
  191    HA   LYS  29           HA       LYS  29  -9.028   3.692  -9.056
  192   1HB   LYS  29           HBR      LYS  29  -6.753   4.178  -7.202
  193   2HB   LYS  29           HBS      LYS  29  -6.987   2.499  -7.765
  194   1HG   LYS  29           HGR      LYS  29  -5.402   3.757  -9.190
  195   2HG   LYS  29           HGS      LYS  29  -6.850   3.225 -10.092
  196   1HD   LYS  29           HDS      LYS  29  -7.824   5.443  -9.892
  197   2HD   LYS  29           HDR      LYS  29  -6.465   5.976  -8.940
  198   1HE   LYS  29           HES      LYS  29  -6.175   6.788 -11.159
  199   2HE   LYS  29           HER      LYS  29  -4.955   5.524 -10.832
  200   1HZ   LYS  29           HZC      LYS  29  -7.029   4.170 -11.870
  201   2HZ   LYS  29           HZA      LYS  29  -7.054   5.549 -12.745
  202   3HZ   LYS  29           HZB      LYS  29  -5.700   4.639 -12.695
  203    H    SER  30           HN       SER  30 -10.086   1.860  -8.908
  204    HA   SER  30           HA       SER  30 -10.552   0.633  -6.241
  205   1HB   SER  30           HBR      SER  30 -12.193   0.868  -8.585
  206   2HB   SER  30           HBS      SER  30 -11.853  -0.855  -8.256
  207    HG   SER  30           HG       SER  30 -13.697  -0.339  -7.199
  208    CH2  TRP  31           CH2      TRP  31  -3.267   1.418  -6.776
  209    H    TRP  31           HN       TRP  31 -10.003  -1.505  -5.879
  210    HA   TRP  31           HA       TRP  31  -8.190  -2.785  -7.792
  211   1HB   TRP  31           HBS      TRP  31  -7.126  -2.617  -5.021
  212   2HB   TRP  31           HBR      TRP  31  -6.282  -2.794  -6.586
  213    HD1  TRP  31           HD1      TRP  31  -8.440   0.110  -5.087
  214    HE1  TRP  31           HE1      TRP  31  -7.095   2.290  -5.304
  215    HE3  TRP  31           HE3      TRP  31  -4.160  -1.844  -7.022
  216    HZ2  TRP  31           HZ2      TRP  31  -4.502   3.031  -6.074
  217    HZ3  TRP  31           HZ3      TRP  31  -2.237  -0.359  -7.343
  218    HH2  TRP  31           HH2      TRP  31  -2.419   2.043  -6.959
  219    H    HIS  32           HN       ZHI  32  -7.239  -4.804  -6.275
  220    HA   HIS  32           HA       ZHI  32  -9.595  -6.029  -4.946
  221   1HB   HIS  32           HBS      ZHI  32  -7.044  -7.203  -6.077
  222   2HB   HIS  32           HBR      ZHI  32  -7.966  -8.065  -4.811
  223    HD2  HIS  32           HD2      ZHI  32 -10.626  -8.761  -5.589
  224    HE1  HIS  32           HE1      ZHI  32  -9.645  -8.823  -9.684
  225    HE2  HIS  32           HE2      ZHI  32 -11.271  -9.632  -7.939
  226    H    LYS  33           HN       LYS  33  -9.183  -7.222  -2.947
  227    HA   LYS  33           HA       LYS  33  -7.596  -5.721  -1.011
  228   1HB   LYS  33           HBR      LYS  33  -8.925  -8.425  -0.670
  229   2HB   LYS  33           HBS      LYS  33  -8.363  -7.307   0.605
  230   1HG   LYS  33           HGR      LYS  33 -10.313  -6.094  -1.238
  231   2HG   LYS  33           HGS      LYS  33 -10.953  -7.507  -0.351
  232   1HD   LYS  33           HDS      LYS  33 -10.025  -6.422   1.751
  233   2HD   LYS  33           HDR      LYS  33  -9.771  -4.993   0.787
  234   1HE   LYS  33           HES      LYS  33 -12.097  -4.751   0.322
  235   2HE   LYS  33           HER      LYS  33 -12.443  -6.340   1.060
  236   1HZ   LYS  33           HZB      LYS  33 -11.174  -4.995   3.001
  237   2HZ   LYS  33           HZC      LYS  33 -12.062  -3.813   2.308
  238   3HZ   LYS  33           HZA      LYS  33 -12.794  -5.159   2.875
  239    H    SER  34           HN       SER  34  -7.115  -8.287  -3.240
  240    HA   SER  34           HA       SER  34  -4.508  -8.900  -1.948
  241   1HB   SER  34           HBR      SER  34  -5.380 -10.708  -4.078
  242   2HB   SER  34           HBS      SER  34  -4.788 -11.043  -2.424
  243    HG   SER  34           HG       SER  34  -7.393 -10.642  -3.511
  244    H    CYS  35           HN       CYS  35  -5.359  -6.668  -3.850
  245    HA   CYS  35           HA       CYS  35  -3.107  -7.117  -5.750
  246   1HB   CYS  35           HBS      CYS  35  -5.785  -5.857  -6.091
  247   2HB   CYS  35           HBR      CYS  35  -4.393  -5.110  -6.926
  248    H    PHE  36           HN       PHE  36  -4.410  -5.269  -3.164
  249    HA   PHE  36           HA       PHE  36  -3.358  -2.735  -3.711
  250   1HB   PHE  36           HBS      PHE  36  -4.755  -3.896  -1.534
  251   2HB   PHE  36           HBR      PHE  36  -3.247  -3.218  -0.852
  252    HD1  PHE  36           HD2      PHE  36  -2.785  -0.761  -2.389
  253    HD2  PHE  36           HD1      PHE  36  -6.497  -2.560  -1.332
  254    HE1  PHE  36           HE2      PHE  36  -3.847   1.473  -2.347
  255    HE2  PHE  36           HE1      PHE  36  -7.574  -0.356  -1.270
  256    HZ   PHE  36           HZ       PHE  36  -6.250   1.665  -1.769
  257    NH1  ARG  37           NH1      ARG  37   3.120  -4.745  -6.792
  258    NH2  ARG  37           NH2      ARG  37   4.594  -3.230  -7.689
  259    H    ARG  37           HN       ARG  37  -1.342  -2.341  -4.223
  260    HA   ARG  37           HA       ARG  37   0.795  -3.943  -2.911
  261   1HB   ARG  37           HBS      ARG  37   2.058  -3.482  -5.039
  262   2HB   ARG  37           HBR      ARG  37   0.634  -4.551  -5.188
  263   1HG   ARG  37           HGS      ARG  37  -0.672  -2.720  -6.131
  264   2HG   ARG  37           HGR      ARG  37   0.708  -1.604  -5.923
  265   1HD   ARG  37           HDS      ARG  37   0.827  -4.127  -7.567
  266   2HD   ARG  37           HDR      ARG  37   0.372  -2.531  -8.229
  267    HE   ARG  37           HE       ARG  37   2.591  -1.785  -7.914
  268   1HH1  ARG  37           HH1      ARG  37   2.190  -5.003  -6.531
  269   2HH1  ARG  37           HH1      ARG  37   3.882  -5.367  -6.610
  270   1HH2  ARG  37           HH2      ARG  37   4.780  -2.341  -8.110
  271   2HH2  ARG  37           HH2      ARG  37   5.348  -3.860  -7.501
  272    H    CYS  38           HN       CYS  38   1.698  -2.741  -1.392
  273    HA   CYS  38           HA       CYS  38   2.388   0.087  -1.655
  274   1HB   CYS  38           HBS      CYS  38   2.082  -1.106   0.522
  275   2HB   CYS  38           HBR      CYS  38   3.555  -2.045   0.148
  276    H    ALA  39           HN       ALA  39   3.671   0.674  -3.231
  277    HA   ALA  39           HA       ALA  39   6.061  -0.928  -3.896
  278   1HB   ALA  39           HMB      ALA  39   4.639   0.177  -5.645
  279   2HB   ALA  39           HMB      ALA  39   5.195   1.747  -5.013
  280   3HB   ALA  39           HMB      ALA  39   6.371   0.595  -5.692
  281    H    LYS  40           HN       LYS  40   5.854   0.060  -1.238
  282    HA   LYS  40           HA       LYS  40   8.169   1.945  -1.235
  283   1HB   LYS  40           HBS      LYS  40   5.756   2.628  -0.352
  284   2HB   LYS  40           HBR      LYS  40   6.314   1.752   1.102
  285   1HG   LYS  40           HGR      LYS  40   7.711   4.107  -0.226
  286   2HG   LYS  40           HGS      LYS  40   6.773   4.152   1.295
  287   1HD   LYS  40           HDS      LYS  40   8.569   2.158   1.801
  288   2HD   LYS  40           HDR      LYS  40   9.499   3.203   0.762
  289   1HE   LYS  40           HES      LYS  40   9.508   4.959   2.223
  290   2HE   LYS  40           HER      LYS  40   7.982   4.443   2.995
  291   1HZ   LYS  40           HZB      LYS  40   9.978   2.506   3.342
  292   2HZ   LYS  40           HZC      LYS  40  10.524   3.950   3.871
  293   3HZ   LYS  40           HZA      LYS  40   9.137   3.331   4.473
  294    H    CYS  41           HN       CYS  41   6.468  -0.562   0.684
  295    HA   CYS  41           HA       CYS  41   9.129  -1.490   1.640
  296   1HB   CYS  41           HBS      CYS  41   7.949  -2.963   3.186
  297   2HB   CYS  41           HBR      CYS  41   7.623  -1.235   3.483
  298    H    GLY  42           HN       GLY  42   6.568  -1.948  -0.582
  299   1HA   GLY  42           HAR      GLY  42   6.993  -2.975  -2.674
  300   2HA   GLY  42           HAS      GLY  42   8.323  -3.908  -1.936
  301    H    LYS  43           HN       LYS  43   5.394  -3.724  -0.125
  302    HA   LYS  43           HA       LYS  43   5.153  -6.647  -0.475
  303   1HB   LYS  43           HBR      LYS  43   5.696  -5.493   1.753
  304   2HB   LYS  43           HBS      LYS  43   3.983  -4.985   1.761
  305   1HG   LYS  43           HGR      LYS  43   3.930  -6.936   3.028
  306   2HG   LYS  43           HGS      LYS  43   3.490  -7.527   1.400
  307   1HD   LYS  43           HDS      LYS  43   6.237  -7.707   1.401
  308   2HD   LYS  43           HDR      LYS  43   5.836  -8.083   3.054
  309   1HE   LYS  43           HES      LYS  43   4.711  -9.468   0.622
  310   2HE   LYS  43           HER      LYS  43   5.957 -10.092   1.740
  311   1HZ   LYS  43           HZC      LYS  43   3.580  -9.256   3.051
  312   2HZ   LYS  43           HZA      LYS  43   3.309 -10.463   1.985
  313   3HZ   LYS  43           HZB      LYS  43   4.404 -10.661   3.180
  314    H    SER  44           HN       SER  44   3.204  -7.694  -0.660
  315    HA   SER  44           HA       SER  44   0.796  -6.232  -1.478
  316   1HB   SER  44           HBR      SER  44   1.678  -8.986  -1.498
  317   2HB   SER  44           HBS      SER  44   0.109  -8.830  -0.659
  318    HG   SER  44           HG       SER  44   0.923  -7.920  -3.294
  319    H    LEU  45           HN       LEU  45  -0.937  -5.819  -0.206
  320    HA   LEU  45           HA       LEU  45  -0.031  -5.275   2.551
  321   1HB   LEU  45           HBS      LEU  45  -1.241  -3.877   0.358
  322   2HB   LEU  45           HBR      LEU  45  -2.335  -3.806   1.765
  323    HG   LEU  45           HG       LEU  45   0.424  -2.640   1.436
  324   1HD1  LEU  45           HMD      LEU  45  -2.303  -1.737   1.439
  325   2HD1  LEU  45           HMD      LEU  45  -1.420  -0.993   2.796
  326   3HD1  LEU  45           HMD      LEU  45  -0.804  -0.824   1.132
  327   1HD2  LEU  45           HMD      LEU  45  -0.664  -3.845   3.830
  328   2HD2  LEU  45           HMD      LEU  45   0.902  -3.042   3.571
  329   3HD2  LEU  45           HMD      LEU  45  -0.529  -2.080   4.028
  330    H    GLU  46           HN       GLU  46  -2.361  -4.413   3.644
  331    HA   GLU  46           HA       GLU  46  -4.090  -6.852   3.793
  332   1HB   GLU  46           HBR      GLU  46  -4.014  -4.775   5.933
  333   2HB   GLU  46           HBS      GLU  46  -4.514  -6.376   5.975
  334   1HG   GLU  46           HGS      GLU  46  -1.804  -6.519   5.240
  335   2HG   GLU  46           HGR      GLU  46  -1.857  -5.426   6.650
  336    H    SER  47           HN       SER  47  -6.096  -5.467   5.279
  337    HA   SER  47           HA       SER  47  -7.439  -4.375   2.916
  338   1HB   SER  47           HBS      SER  47  -9.469  -4.869   3.994
  339   2HB   SER  47           HBR      SER  47  -8.379  -6.249   4.315
  340    HG   SER  47           HG       SER  47  -7.801  -5.285   6.339
  341    H    THR  48           HN       THR  48  -7.188  -3.519   6.389
  342    HA   THR  48           HA       THR  48  -8.088  -0.782   5.670
  343    HB   THR  48           HB       THR  48  -8.670  -0.678   8.191
  344    HG1  THR  48           HG1      THR  48  -8.428  -3.337   7.686
  345   1HG2  THR  48           HMG      THR  48 -10.160  -1.719   6.028
  346   2HG2  THR  48           HMG      THR  48 -10.507  -2.750   7.441
  347   3HG2  THR  48           HMG      THR  48 -10.757  -0.988   7.540
  348    H    THR  49           HN       THR  49  -5.368  -1.553   5.345
  349    HA   THR  49           HA       THR  49  -4.210   0.600   7.002
  350    HB   THR  49           HB       THR  49  -2.139  -0.891   7.386
  351    HG1  THR  49           HG1      THR  49  -2.178  -2.654   6.938
  352   1HG2  THR  49           HMG      THR  49  -4.318  -0.509   9.000
  353   2HG2  THR  49           HMG      THR  49  -4.202  -2.286   8.945
  354   3HG2  THR  49           HMG      THR  49  -2.806  -1.319   9.482
  355    H    LEU  50           HN       LEU  50  -4.470   1.622   4.903
  356    HA   LEU  50           HA       LEU  50  -2.033   1.268   3.274
  357   1HB   LEU  50           HBS      LEU  50  -3.221   0.942   1.258
  358   2HB   LEU  50           HBR      LEU  50  -3.837  -0.249   2.440
  359    HG   LEU  50           HG       LEU  50  -5.678   1.682   2.756
  360   1HD1  LEU  50           HMD      LEU  50  -4.437   2.066   0.062
  361   2HD1  LEU  50           HMD      LEU  50  -6.211   2.159   0.196
  362   3HD1  LEU  50           HMD      LEU  50  -5.186   3.252   1.160
  363   1HD2  LEU  50           HMD      LEU  50  -5.412  -0.654   0.880
  364   2HD2  LEU  50           HMD      LEU  50  -6.366  -0.499   2.377
  365   3HD2  LEU  50           HMD      LEU  50  -6.905   0.319   0.888
  366    H    ALA  51           HN       ALA  51  -1.763   3.025   1.722
  367    HA   ALA  51           HA       ALA  51  -3.365   5.471   2.256
  368   1HB   ALA  51           HMB      ALA  51  -0.865   4.964   3.390
  369   2HB   ALA  51           HMB      ALA  51  -0.530   6.029   2.001
  370   3HB   ALA  51           HMB      ALA  51  -1.695   6.535   3.252
  371    H    ASP  52           HN       ASP  52  -4.135   6.054   0.379
  372    HA   ASP  52           HA       ASP  52  -2.574   5.689  -2.079
  373   1HB   ASP  52           HBS      ASP  52  -4.567   6.690  -3.191
  374   2HB   ASP  52           HBR      ASP  52  -4.823   5.131  -2.355
  375    H    LYS  53           HN       LYS  53  -2.306   7.502  -3.561
  376    HA   LYS  53           HA       LYS  53  -2.020  10.199  -2.579
  377   1HB   LYS  53           HBR      LYS  53  -0.301   8.760  -1.255
  378   2HB   LYS  53           HBS      LYS  53   0.590   8.715  -2.803
  379   1HG   LYS  53           HGR      LYS  53  -0.099  11.419  -2.416
  380   2HG   LYS  53           HGS      LYS  53   0.430  10.829  -0.814
  381   1HD   LYS  53           HDS      LYS  53   2.410  11.523  -1.673
  382   2HD   LYS  53           HDR      LYS  53   2.417   9.821  -2.048
  383   1HE   LYS  53           HES      LYS  53   3.220  10.995  -3.956
  384   2HE   LYS  53           HER      LYS  53   1.608  10.316  -4.322
  385   1HZ   LYS  53           HZC      LYS  53   0.700  12.504  -3.826
  386   2HZ   LYS  53           HZA      LYS  53   2.202  13.105  -3.606
  387   3HZ   LYS  53           HZB      LYS  53   1.749  12.554  -5.077
  388    H    ASP  54           HN       ASP  54  -2.702  10.874  -4.537
  389    HA   ASP  54           HA       ASP  54  -2.569  11.531  -6.701
  390   1HB   ASP  54           HBR      ASP  54   0.241  11.403  -5.747
  391   2HB   ASP  54           HBS      ASP  54  -0.057  11.686  -7.486
  392    H    GLY  55           HN       GLY  55  -2.688   8.582  -6.026
  393   1HA   GLY  55           HAR      GLY  55  -3.555   7.102  -7.679
  394   2HA   GLY  55           HAS      GLY  55  -2.388   7.753  -8.860
  395    H    GLU  56           HN       GLU  56  -0.264   7.651  -6.683
  396    HA   GLU  56           HA       GLU  56   0.206   4.698  -6.636
  397   1HB   GLU  56           HBR      GLU  56   1.826   6.625  -7.619
  398   2HB   GLU  56           HBS      GLU  56   2.206   6.780  -5.991
  399   1HG   GLU  56           HGS      GLU  56   3.269   4.821  -5.735
  400   2HG   GLU  56           HGR      GLU  56   2.326   3.950  -6.975
  401    H    ILE  57           HN       ILE  57   1.364   4.018  -4.623
  402    HA   ILE  57           HA       ILE  57   0.044   5.233  -2.253
  403    HB   ILE  57           HB       ILE  57  -1.174   3.126  -1.865
  404   1HG1  ILE  57           HG1      ILE  57  -0.005   2.221  -4.525
  405   2HG1  ILE  57           HG1      ILE  57   0.455   1.615  -2.909
  406   1HG2  ILE  57           HMG      ILE  57  -1.909   5.037  -3.621
  407   2HG2  ILE  57           HMG      ILE  57  -1.979   3.595  -4.669
  408   3HG2  ILE  57           HMG      ILE  57  -2.932   3.650  -3.163
  409   1HD1  ILE  57           HMD      ILE  57  -2.424   1.429  -3.597
  410   2HD1  ILE  57           HMD      ILE  57  -1.318   0.386  -4.532
  411   3HD1  ILE  57           HMD      ILE  57  -1.357   0.274  -2.751
  412    OH   TYR  58           OH       TYR  58   2.708   9.488   1.729
  413    H    TYR  58           HN       TYR  58   0.979   4.800  -0.354
  414    HA   TYR  58           HA       TYR  58   2.560   2.333  -0.156
  415   1HB   TYR  58           HBS      TYR  58   3.961   3.474   1.677
  416   2HB   TYR  58           HBR      TYR  58   4.371   3.834  -0.024
  417    HD1  TYR  58           HD2      TYR  58   3.424   6.006  -1.012
  418    HD2  TYR  58           HD1      TYR  58   3.433   5.246   3.172
  419    HE1  TYR  58           HE2      TYR  58   3.002   8.386  -0.588
  420    HE2  TYR  58           HE1      TYR  58   3.024   7.629   3.612
  421    HH   TYR  58           HH       TYR  58   1.621   9.536   1.744
  422    H    CYS  59           HN       CYS  59   2.776   1.894   2.365
  423    HA   CYS  59           HA       CYS  59  -0.107   1.611   2.772
  424   1HB   CYS  59           HBR      CYS  59   0.219  -0.568   3.407
  425   2HB   CYS  59           HBS      CYS  59   1.246  -0.264   1.984
  426    H    LYS  60           HN       LYS  60  -1.041   1.076   4.808
  427    HA   LYS  60           HA       LYS  60  -0.089   2.847   6.983
  428   1HB   LYS  60           HBS      LYS  60  -2.626   2.138   6.212
  429   2HB   LYS  60           HBR      LYS  60  -2.292   0.955   7.509
  430   1HG   LYS  60           HGR      LYS  60  -2.550   2.502   9.110
  431   2HG   LYS  60           HGS      LYS  60  -1.495   3.668   8.261
  432   1HD   LYS  60           HDS      LYS  60  -3.521   4.763   8.383
  433   2HD   LYS  60           HDR      LYS  60  -3.412   4.168   6.750
  434   1HE   LYS  60           HES      LYS  60  -5.334   3.110   6.942
  435   2HE   LYS  60           HER      LYS  60  -4.680   2.165   8.311
  436   1HZ   LYS  60           HZC      LYS  60  -5.669   4.889   8.694
  437   2HZ   LYS  60           HZA      LYS  60  -6.695   3.619   8.705
  438   3HZ   LYS  60           HZB      LYS  60  -5.488   3.700   9.800
  439    H    GLY  61           HN       GLY  61   0.153  -0.353   5.763
  440   1HA   GLY  61           HAR      GLY  61   1.235  -1.691   8.033
  441   2HA   GLY  61           HAS      GLY  61   1.635  -1.999   6.322
  442    H    CYS  62           HN       CYS  62   2.265   1.117   6.387
  443    HA   CYS  62           HA       CYS  62   5.086   0.683   7.107
  444   1HB   CYS  62           HBS      CYS  62   3.577   1.837   4.878
  445   2HB   CYS  62           HBR      CYS  62   4.897   2.895   5.449
  446    OH   TYR  63           OH       TYR  63   2.829  10.653   7.385
  447    H    TYR  63           HN       TYR  63   2.671   3.308   6.966
  448    HA   TYR  63           HA       TYR  63   3.825   5.016   8.921
  449   1HB   TYR  63           HBR      TYR  63   1.283   4.733   7.535
  450   2HB   TYR  63           HBS      TYR  63   1.037   5.135   9.259
  451    HD1  TYR  63           HD1      TYR  63   3.041   6.257   6.275
  452    HD2  TYR  63           HD2      TYR  63   1.174   7.351   9.936
  453    HE1  TYR  63           HE1      TYR  63   3.472   8.626   5.780
  454    HE2  TYR  63           HE2      TYR  63   1.603   9.719   9.458
  455    HH   TYR  63           HH       TYR  63   3.729  10.830   7.970
  456    H    ALA  64           HN       ALA  64   2.478   1.870   9.135
  457    HA   ALA  64           HA       ALA  64   2.261   1.950  12.066
  458   1HB   ALA  64           HMB      ALA  64   0.801   0.482  10.750
  459   2HB   ALA  64           HMB      ALA  64   2.230  -0.384  10.132
  460   3HB   ALA  64           HMB      ALA  64   1.841  -0.432  11.871
  461    H    LYS  65           HN       LYS  65   4.231   0.061   9.736
  462    HA   LYS  65           HA       LYS  65   5.882  -1.037  11.662
  463   1HB   LYS  65           HBR      LYS  65   5.829  -0.901   8.760
  464   2HB   LYS  65           HBS      LYS  65   7.503  -0.860   9.385
  465   1HG   LYS  65           HGR      LYS  65   7.361  -3.102   9.436
  466   2HG   LYS  65           HGS      LYS  65   6.347  -2.873  10.889
  467   1HD   LYS  65           HDS      LYS  65   4.359  -2.747   9.342
  468   2HD   LYS  65           HDR      LYS  65   5.423  -3.236   8.051
  469   1HE   LYS  65           HES      LYS  65   4.504  -4.816  10.415
  470   2HE   LYS  65           HER      LYS  65   4.484  -5.222   8.675
  471   1HZ   LYS  65           HZC      LYS  65   6.899  -5.015  10.338
  472   2HZ   LYS  65           HZA      LYS  65   6.189  -6.411   9.877
  473   3HZ   LYS  65           HZB      LYS  65   6.855  -5.426   8.757
  474    H    ASN  66           HN       ASN  66   5.940   2.153  10.399
  475    HA   ASN  66           HA       ASN  66   8.659   2.733  10.991
  476   1HB   ASN  66           HBS      ASN  66   6.319   4.195  10.061
  477   2HB   ASN  66           HBR      ASN  66   7.390   5.159  11.118
  478   1HD2  ASN  66           HD2      ASN  66   9.452   3.471   7.995
  479   2HD2  ASN  66           HD2      ASN  66   8.576   2.499   9.131
  480    H    PHE  67           HN       PHE  67   5.841   2.446  12.953
  481    HA   PHE  67           HA       PHE  67   7.458   2.984  15.363
  482   1HB   PHE  67           HBR      PHE  67   5.240   4.737  14.377
  483   2HB   PHE  67           HBS      PHE  67   5.242   4.319  16.116
  484    HD1  PHE  67           HD2      PHE  67   7.309   5.948  13.427
  485    HD2  PHE  67           HD1      PHE  67   6.782   5.161  17.581
  486    HE1  PHE  67           HE2      PHE  67   8.991   7.680  13.961
  487    HE2  PHE  67           HE1      PHE  67   8.446   6.875  18.138
  488    HZ   PHE  67           HZ       PHE  67   9.506   8.181  16.334
  489    H    GLY  68           HN       GLY  68   7.179   1.282  16.570
  490   1HA   GLY  68           HAR      GLY  68   4.870   0.231  17.679
  491   2HA   GLY  68           HAS      GLY  68   5.037  -0.610  16.111
  492    HA   PRO  69           HA       PRO  69   8.152  -3.283  17.118
  493   1HB   PRO  69           HBS      PRO  69  10.472  -2.031  16.150
  494   2HB   PRO  69           HBR      PRO  69   9.769  -3.412  15.611
  495   1HG   PRO  69           HGS      PRO  69   9.735  -1.087  14.342
  496   2HG   PRO  69           HGR      PRO  69   8.674  -2.336  14.033
  497   1HD   PRO  69           HDS      PRO  69   8.164   0.091  15.323
  498   2HD   PRO  69           HDR      PRO  69   7.075  -1.005  14.732
  499    H    LYS  70           HN       LYS  70   7.833  -3.208  19.290
  500    HA   LYS  70           HA       LYS  70   8.692  -3.396  21.405
  501   1HB   LYS  70           HBR      LYS  70  10.807  -3.998  19.764
  502   2HB   LYS  70           HBS      LYS  70  11.459  -2.644  20.729
  503   1HG   LYS  70           HGR      LYS  70  12.016  -4.275  22.194
  504   2HG   LYS  70           HGS      LYS  70  10.303  -4.154  22.686
  505   1HD   LYS  70           HDS      LYS  70  10.044  -5.891  20.667
  506   2HD   LYS  70           HDR      LYS  70  11.695  -6.236  21.104
  507   1HE   LYS  70           HES      LYS  70  10.344  -6.132  23.547
  508   2HE   LYS  70           HER      LYS  70   9.265  -7.004  22.421
  509   1HZ   LYS  70           HZC      LYS  70  12.102  -7.678  22.597
  510   2HZ   LYS  70           HZA      LYS  70  11.035  -8.301  23.664
  511   3HZ   LYS  70           HZB      LYS  70  10.859  -8.597  22.068
  512    H    GLY  71           HN       GLY  71  11.010  -1.023  20.085
  513   1HA   GLY  71           HAS      GLY  71  10.399   1.443  20.854
  514   2HA   GLY  71           HAR      GLY  71  10.467   0.662  22.456
  515    H    PHE  72           HN       PHE  72  12.171   2.757  21.412
  516    HA   PHE  72           HA       PHE  72  14.686   1.457  22.171
  517   1HB   PHE  72           HBS      PHE  72  14.454   2.026  19.496
  518   2HB   PHE  72           HBR      PHE  72  15.129   3.559  20.125
  519    HD1  PHE  72           HD1      PHE  72  15.542  -0.102  20.373
  520    HD2  PHE  72           HD2      PHE  72  17.519   3.672  20.304
  521    HE1  PHE  72           HE1      PHE  72  17.701  -1.255  20.511
  522    HE2  PHE  72           HE2      PHE  72  19.710   2.533  20.439
  523    HZ   PHE  72           HZ       PHE  72  19.785   0.061  20.606
  524    H    GLY  73           HN       GLY  73  15.694   2.576  23.668
  525   1HA   GLY  73           HAR      GLY  73  15.316   5.457  24.079
  526   2HA   GLY  73           HAS      GLY  73  14.432   4.403  25.213
  527    H    PHE  74           HN       PHE  74  15.487   3.492  26.875
  528    HA   PHE  74           HA       PHE  74  18.446   3.778  27.000
  529   1HB   PHE  74           HBR      PHE  74  18.010   3.011  29.473
  530   2HB   PHE  74           HBS      PHE  74  17.755   4.717  29.004
  531    HD1  PHE  74           HD1      PHE  74  15.916   1.508  29.009
  532    HD2  PHE  74           HD2      PHE  74  15.704   5.695  29.766
  533    HE1  PHE  74           HE1      PHE  74  13.620   1.223  29.823
  534    HE2  PHE  74           HE2      PHE  74  13.387   5.436  30.589
  535    HZ   PHE  74           HZ       PHE  74  12.374   3.176  30.670
  536    H    GLY  75           HN       GLY  75  19.208   1.881  28.635
  537   1HA   GLY  75           HAS      GLY  75  18.133  -0.514  29.025
  538   2HA   GLY  75           HAR      GLY  75  18.564  -0.682  27.303
  539    H    GLN  76           HN       GLN  76  20.858  -0.068  26.752
  540    HA   GLN  76           HA       GLN  76  23.110  -0.313  26.968
  541   1HB   GLN  76           HBR      GLN  76  22.262   1.413  28.963
  542   2HB   GLN  76           HBS      GLN  76  23.313   0.248  29.817
  543   1HG   GLN  76           HGS      GLN  76  24.756   1.961  29.155
  544   2HG   GLN  76           HGR      GLN  76  25.005   0.673  27.944
  545   1HE2  GLN  76           HE2      GLN  76  23.572   4.356  26.945
  546   2HE2  GLN  76           HE2      GLN  76  23.897   3.892  28.581
  547    H    GLY  77           HN       GLY  77  24.858  -1.189  28.724
  548   1HA   GLY  77           HAR      GLY  77  24.400  -4.021  28.477
  549   2HA   GLY  77           HAS      GLY  77  25.876  -3.227  29.087
  550    H    ALA  78           HN       ALA  78  24.728  -5.580  30.165
  551    HA   ALA  78           HA       ALA  78  24.832  -4.737  32.923
  552   1HB   ALA  78           HMB      ALA  78  22.298  -4.814  32.030
  553   2HB   ALA  78           HMB      ALA  78  22.510  -6.526  32.476
  554   3HB   ALA  78           HMB      ALA  78  22.776  -5.249  33.690
  555    H    GLY  79           HN       GLY  79  25.892  -6.198  34.074
  556   1HA   GLY  79           HAS      GLY  79  26.273  -8.951  33.010
  557   2HA   GLY  79           HAR      GLY  79  27.676  -7.860  33.158
  558    H    ALA  80           HN       ALA  80  27.133  -6.529  35.500
  559    HA   ALA  80           HA       ALA  80  27.174  -6.634  37.784
  560   1HB   ALA  80           HMB      ALA  80  25.281  -8.838  37.042
  561   2HB   ALA  80           HMB      ALA  80  25.802  -8.648  38.736
  562   3HB   ALA  80           HMB      ALA  80  24.982  -7.305  37.898
  563    H    LEU  81           HN       LEU  81  26.999 -10.146  37.279
  564    HA   LEU  81           HA       LEU  81  29.536 -10.353  38.809
  565   1HB   LEU  81           HBR      LEU  81  27.013 -11.190  39.383
  566   2HB   LEU  81           HBS      LEU  81  27.689 -12.654  38.614
  567    HG   LEU  81           HG       LEU  81  29.660 -11.999  40.389
  568   1HD1  LEU  81           HMD      LEU  81  27.044 -10.953  41.381
  569   2HD1  LEU  81           HMD      LEU  81  28.075 -11.847  42.527
  570   3HD1  LEU  81           HMD      LEU  81  28.705 -10.394  41.709
  571   1HD2  LEU  81           HMD      LEU  81  27.193 -13.733  40.722
  572   2HD2  LEU  81           HMD      LEU  81  28.744 -14.198  39.978
  573   3HD2  LEU  81           HMD      LEU  81  28.662 -13.853  41.725
  574    H    ILE  82           HN       ILE  82  31.108 -10.487  37.331
  575    HA   ILE  82           HA       ILE  82  30.952 -12.657  35.305
  576    HB   ILE  82           HB       ILE  82  31.672 -10.320  34.603
  577   1HG1  ILE  82           HG1      ILE  82  33.956 -11.479  33.594
  578   2HG1  ILE  82           HG1      ILE  82  33.015 -12.906  34.112
  579   1HG2  ILE  82           HMG      ILE  82  33.590 -10.713  36.736
  580   2HG2  ILE  82           HMG      ILE  82  34.397 -10.358  35.186
  581   3HG2  ILE  82           HMG      ILE  82  33.166  -9.237  35.828
  582   1HD1  ILE  82           HMD      ILE  82  31.152 -11.335  32.784
  583   2HD1  ILE  82           HMD      ILE  82  32.641 -11.139  31.822
  584   3HD1  ILE  82           HMD      ILE  82  31.990 -12.770  32.137
  585    H    HIS  83           HN       HIS  83  32.143 -11.804  38.403
  586    HA   HIS  83           HA       HIS  83  33.083 -13.125  40.012
  587   1HB   HIS  83           HBS      HIS  83  31.770 -15.013  39.030
  588   2HB   HIS  83           HBR      HIS  83  33.147 -15.366  37.946
  589    HD1  HIS  83           HD1      HIS  83  33.801 -17.656  38.997
  590    HD2  HIS  83           HD2      HIS  83  33.644 -14.526  41.741
  591    HE1  HIS  83           HE1      HIS  83  34.937 -18.479  41.074
  592    HE2  HIS  83           HE2      HIS  83  34.866 -16.581  42.730
  593    H    SER  84           HN       SER  84  34.638 -14.673  37.212
  594    HA   SER  84           HA       SER  84  37.168 -13.352  37.410
  595   1HB   SER  84           HBR      SER  84  36.623 -15.045  39.581
  596   2HB   SER  84           HBS      SER  84  37.703 -15.970  38.498
  597    HG   SER  84           HG       SER  84  38.444 -14.340  40.300
  598    H    GLN  85           HN       GLN  85  38.861 -15.440  36.858
  599    HA   GLN  85           HA       GLN  85  37.635 -17.282  34.997
  600   1HB   GLN  85           HBS      GLN  85  38.878 -14.900  33.933
  601   2HB   GLN  85           HBR      GLN  85  39.763 -16.367  33.429
  602   1HG   GLN  85           HGS      GLN  85  36.773 -16.298  33.220
  603   2HG   GLN  85           HGR      GLN  85  37.760 -15.434  32.007
  604   1HE2  GLN  85           HE2      GLN  85  37.821 -18.336  30.133
  605   2HE2  GLN  85           HE2      GLN  85  37.403 -16.660  30.266
   
  Start of MODEL           4
 Raw file had  605 H/Q atoms
  Start of MODEL    4
    1   1H    MET   1           HNC      MET   1 -18.103  -1.404 -20.775
    2   2H    MET   1           HNB      MET   1 -18.817  -1.232 -22.234
    3   3H    MET   1           HN       MET   1 -17.270  -1.743 -22.138
    4    HA   MET   1           HA       MET   1 -16.449   0.270 -21.462
    5   1HB   MET   1           HBR      MET   1 -17.139   1.782 -23.255
    6   2HB   MET   1           HBS      MET   1 -16.922   0.113 -23.856
    7   1HG   MET   1           HGS      MET   1 -19.427  -0.206 -23.615
    8   2HG   MET   1           HGR      MET   1 -19.540   1.531 -23.241
    9   1HE   MET   1           HME      MET   1 -19.437   3.338 -24.806
   10   2HE   MET   1           HME      MET   1 -19.688   3.137 -26.558
   11   3HE   MET   1           HME      MET   1 -20.855   2.441 -25.407
   12    H    ALA   2           HN       ALA   2 -16.629   1.656 -19.873
   13    HA   ALA   2           HA       ALA   2 -17.500   2.998 -18.233
   14   1HB   ALA   2           HMB      ALA   2 -18.959   3.713 -20.485
   15   2HB   ALA   2           HMB      ALA   2 -20.201   3.330 -19.266
   16   3HB   ALA   2           HMB      ALA   2 -18.945   4.542 -18.908
   17    H    GLN   3           HN       GLN   3 -19.855   3.133 -16.982
   18    HA   GLN   3           HA       GLN   3 -21.217   0.577 -16.941
   19   1HB   GLN   3           HBS      GLN   3 -19.141   0.757 -15.148
   20   2HB   GLN   3           HBR      GLN   3 -20.547   1.285 -14.182
   21   1HG   GLN   3           HGS      GLN   3 -21.644  -0.860 -15.313
   22   2HG   GLN   3           HGR      GLN   3 -19.933  -1.367 -15.407
   23   1HE2  GLN   3           HE2      GLN   3 -21.424  -2.638 -12.263
   24   2HE2  GLN   3           HE2      GLN   3 -21.803  -2.769 -13.948
   25    H    LYS   4           HN       LYS   4 -23.283   0.916 -16.708
   26    HA   LYS   4           HA       LYS   4 -24.138   3.624 -15.800
   27   1HB   LYS   4           HBS      LYS   4 -24.310   2.957 -18.280
   28   2HB   LYS   4           HBR      LYS   4 -25.627   1.868 -17.757
   29   1HG   LYS   4           HGR      LYS   4 -27.045   3.585 -17.935
   30   2HG   LYS   4           HGS      LYS   4 -26.183   4.385 -16.589
   31   1HD   LYS   4           HDS      LYS   4 -24.534   5.158 -18.441
   32   2HD   LYS   4           HDR      LYS   4 -25.822   4.741 -19.538
   33   1HE   LYS   4           HES      LYS   4 -25.929   7.088 -19.033
   34   2HE   LYS   4           HER      LYS   4 -27.353   6.238 -18.369
   35   1HZ   LYS   4           HZB      LYS   4 -25.904   6.142 -16.277
   36   2HZ   LYS   4           HZC      LYS   4 -25.080   7.380 -16.952
   37   3HZ   LYS   4           HZA      LYS   4 -26.677   7.534 -16.641
   38    H    VAL   5           HN       VAL   5 -25.085   0.189 -16.033
   39    HA   VAL   5           HA       VAL   5 -27.462   0.706 -14.421
   40    HB   VAL   5           HB       VAL   5 -27.943  -1.693 -14.908
   41   1HG1  VAL   5           HMG      VAL   5 -28.350   0.487 -16.464
   42   2HG1  VAL   5           HMG      VAL   5 -27.473  -0.566 -17.598
   43   3HG1  VAL   5           HMG      VAL   5 -28.972  -1.140 -16.829
   44   1HG2  VAL   5           HMG      VAL   5 -25.557  -2.381 -15.206
   45   2HG2  VAL   5           HMG      VAL   5 -26.667  -2.946 -16.478
   46   3HG2  VAL   5           HMG      VAL   5 -25.581  -1.569 -16.790
   47    H    GLY   6           HN       GLY   6 -24.515  -1.294 -14.208
   48   1HA   GLY   6           HAR      GLY   6 -23.509  -1.518 -11.889
   49   2HA   GLY   6           HAS      GLY   6 -25.177  -1.842 -11.346
   50    H    GLY   7           HN       GLY   7 -23.381  -3.716 -10.774
   51   1HA   GLY   7           HAR      GLY   7 -24.456  -6.148 -11.480
   52   2HA   GLY   7           HAS      GLY   7 -23.317  -5.796 -12.806
   53    H    SER   8           HN       SER   8 -21.128  -4.885 -11.944
   54    HA   SER   8           HA       SER   8 -20.222  -6.562  -9.663
   55   1HB   SER   8           HBS      SER   8 -18.444  -7.480 -10.961
   56   2HB   SER   8           HBR      SER   8 -19.989  -7.803 -11.800
   57    HG   SER   8           HG       SER   8 -18.222  -7.198 -13.173
   58    H    ASP   9           HN       ASP   9 -17.738  -6.171  -9.414
   59    HA   ASP   9           HA       ASP   9 -17.023  -3.406 -10.073
   60   1HB   ASP   9           HBS      ASP   9 -17.889  -3.632  -7.636
   61   2HB   ASP   9           HBR      ASP   9 -16.282  -4.356  -7.337
   62    H    GLY  10           HN       GLY  10 -15.187  -3.332 -11.071
   63   1HA   GLY  10           HAS      GLY  10 -13.683  -5.895 -11.228
   64   2HA   GLY  10           HAR      GLY  10 -13.998  -4.774 -12.579
   65    H    CYS  11           HN       CYS  11 -11.498  -5.511 -12.398
   66    HA   CYS  11           HA       CYS  11 -10.028  -3.550 -10.716
   67   1HB   CYS  11           HBS      CYS  11 -10.157  -6.057 -10.118
   68   2HB   CYS  11           HBR      CYS  11  -9.067  -6.288 -11.514
   69    HA   PRO  12           HA       PRO  12  -8.261  -2.328 -14.652
   70   1HB   PRO  12           HBR      PRO  12  -7.200  -0.157 -13.341
   71   2HB   PRO  12           HBS      PRO  12  -8.395  -0.148 -14.467
   72   1HG   PRO  12           HGS      PRO  12  -8.688   0.410 -11.863
   73   2HG   PRO  12           HGR      PRO  12  -9.927   0.179 -12.956
   74   1HD   PRO  12           HDS      PRO  12  -8.987  -1.583 -10.980
   75   2HD   PRO  12           HDR      PRO  12 -10.441  -1.604 -11.772
   76    NH1  ARG  13           NH1      ARG  13  -0.387  -1.382 -11.623
   77    NH2  ARG  13           NH2      ARG  13   0.055  -0.244  -9.676
   78    H    ARG  13           HN       ARG  13  -7.048  -3.287 -11.732
   79    HA   ARG  13           HA       ARG  13  -4.294  -2.661 -12.272
   80   1HB   ARG  13           HBS      ARG  13  -5.864  -3.462 -10.032
   81   2HB   ARG  13           HBR      ARG  13  -4.535  -4.643 -10.220
   82   1HG   ARG  13           HGS      ARG  13  -4.286  -1.635  -9.906
   83   2HG   ARG  13           HGR      ARG  13  -3.850  -2.886  -8.709
   84   1HD   ARG  13           HDS      ARG  13  -2.176  -3.764 -10.268
   85   2HD   ARG  13           HDR      ARG  13  -2.591  -2.463 -11.420
   86    HE   ARG  13           HE       ARG  13  -1.666  -1.742  -8.702
   87   1HH1  ARG  13           HH1      ARG  13  -0.903  -2.074 -12.128
   88   2HH1  ARG  13           HH1      ARG  13   0.336  -0.865 -12.081
   89   1HH2  ARG  13           HH2      ARG  13  -0.129  -0.076  -8.708
   90   2HH2  ARG  13           HH2      ARG  13   0.775   0.266 -10.146
   91    H    CYS  14           HN       CYS  14  -6.021  -5.781 -11.856
   92    HA   CYS  14           HA       CYS  14  -3.684  -7.167 -13.051
   93   1HB   CYS  14           HBR      CYS  14  -4.806  -9.237 -12.315
   94   2HB   CYS  14           HBS      CYS  14  -4.351  -8.132 -10.988
   95    H    GLY  15           HN       GLY  15  -7.029  -6.282 -13.561
   96   1HA   GLY  15           HAS      GLY  15  -7.630  -6.085 -15.946
   97   2HA   GLY  15           HAR      GLY  15  -7.006  -7.741 -16.171
   98    H    GLN  16           HN       GLN  16  -8.101  -8.644 -13.575
   99    HA   GLN  16           HA       GLN  16 -10.420  -9.778 -14.705
  100   1HB   GLN  16           HBS      GLN  16  -8.994 -10.000 -12.128
  101   2HB   GLN  16           HBR      GLN  16 -10.736 -10.400 -12.093
  102   1HG   GLN  16           HGS      GLN  16 -10.320 -12.390 -12.970
  103   2HG   GLN  16           HGR      GLN  16  -9.565 -11.623 -14.395
  104   1HE2  GLN  16           HE2      GLN  16  -7.307 -13.130 -11.301
  105   2HE2  GLN  16           HE2      GLN  16  -9.005 -12.836 -11.121
  106    H    ALA  17           HN       ALA  17 -12.543  -9.909 -13.515
  107    HA   ALA  17           HA       ALA  17 -13.271  -7.347 -12.205
  108   1HB   ALA  17           HMB      ALA  17 -14.124  -7.656 -14.652
  109   2HB   ALA  17           HMB      ALA  17 -15.274  -8.795 -13.908
  110   3HB   ALA  17           HMB      ALA  17 -15.236  -7.095 -13.378
  111    H    VAL  18           HN       VAL  18 -14.720  -7.540 -10.532
  112    HA   VAL  18           HA       VAL  18 -14.671 -10.268  -9.390
  113    HB   VAL  18           HB       VAL  18 -14.906  -7.698  -7.837
  114   1HG1  VAL  18           HMG      VAL  18 -14.691 -10.487  -7.155
  115   2HG1  VAL  18           HMG      VAL  18 -13.306  -9.581  -6.498
  116   3HG1  VAL  18           HMG      VAL  18 -14.967  -9.073  -6.108
  117   1HG2  VAL  18           HMG      VAL  18 -12.501  -8.798  -9.202
  118   2HG2  VAL  18           HMG      VAL  18 -12.958  -7.117  -8.839
  119   3HG2  VAL  18           HMG      VAL  18 -12.306  -8.158  -7.552
  120    OH   TYR  19           OH       TYR  19 -24.506 -11.241 -10.269
  121    H    TYR  19           HN       TYR  19 -16.369 -11.169  -8.356
  122    HA   TYR  19           HA       TYR  19 -18.951  -9.680  -8.441
  123   1HB   TYR  19           HBS      TYR  19 -18.464 -11.802  -9.952
  124   2HB   TYR  19           HBR      TYR  19 -18.837 -12.680  -8.442
  125    HD1  TYR  19           HD2      TYR  19 -20.289  -9.704 -10.211
  126    HD2  TYR  19           HD1      TYR  19 -21.033 -13.473  -8.386
  127    HE1  TYR  19           HE2      TYR  19 -22.670  -9.492 -10.763
  128    HE2  TYR  19           HE1      TYR  19 -23.425 -13.261  -8.908
  129    HH   TYR  19           HH       TYR  19 -24.613 -11.965 -11.075
  130    H    ALA  20           HN       ALA  20 -17.055 -12.165  -6.718
  131    HA   ALA  20           HA       ALA  20 -18.615 -12.189  -4.310
  132   1HB   ALA  20           HMB      ALA  20 -15.931 -13.089  -5.195
  133   2HB   ALA  20           HMB      ALA  20 -16.134 -12.768  -3.453
  134   3HB   ALA  20           HMB      ALA  20 -17.197 -13.939  -4.272
  135    H    ALA  21           HN       ALA  21 -16.566  -9.870  -5.789
  136    HA   ALA  21           HA       ALA  21 -16.138  -7.686  -5.224
  137   1HB   ALA  21           HMB      ALA  21 -18.433  -8.343  -3.628
  138   2HB   ALA  21           HMB      ALA  21 -17.304  -7.347  -2.674
  139   3HB   ALA  21           HMB      ALA  21 -17.894  -6.762  -4.252
  140    H    GLU  22           HN       GLU  22 -13.987  -8.073  -4.978
  141    HA   GLU  22           HA       GLU  22 -13.064  -8.190  -2.138
  142   1HB   GLU  22           HBS      GLU  22 -11.499  -8.639  -4.640
  143   2HB   GLU  22           HBR      GLU  22 -10.878  -8.796  -3.088
  144   1HG   GLU  22           HGS      GLU  22 -13.266 -10.424  -3.942
  145   2HG   GLU  22           HGR      GLU  22 -11.673 -10.959  -4.540
  146    H    LYS  23           HN       LYS  23 -14.325  -5.991  -3.505
  147    HA   LYS  23           HA       LYS  23 -12.313  -4.415  -4.828
  148   1HB   LYS  23           HBR      LYS  23 -14.097  -2.801  -5.190
  149   2HB   LYS  23           HBS      LYS  23 -14.637  -4.455  -5.592
  150   1HG   LYS  23           HGR      LYS  23 -15.459  -4.286  -3.004
  151   2HG   LYS  23           HGS      LYS  23 -15.600  -2.576  -3.501
  152   1HD   LYS  23           HDS      LYS  23 -16.693  -4.036  -5.613
  153   2HD   LYS  23           HDR      LYS  23 -17.233  -4.868  -4.181
  154   1HE   LYS  23           HES      LYS  23 -17.493  -1.886  -4.425
  155   2HE   LYS  23           HER      LYS  23 -18.706  -3.018  -5.088
  156   1HZ   LYS  23           HZA      LYS  23 -18.405  -3.948  -2.642
  157   2HZ   LYS  23           HZB      LYS  23 -18.115  -2.367  -2.354
  158   3HZ   LYS  23           HZC      LYS  23 -19.524  -2.825  -3.039
  159    H    VAL  24           HN       VAL  24 -10.966  -3.032  -3.968
  160    HA   VAL  24           HA       VAL  24 -11.778  -1.501  -1.553
  161    HB   VAL  24           HB       VAL  24  -9.379  -0.621  -1.746
  162   1HG1  VAL  24           HMG      VAL  24 -10.477  -2.844  -0.395
  163   2HG1  VAL  24           HMG      VAL  24  -8.858  -3.330  -0.952
  164   3HG1  VAL  24           HMG      VAL  24  -9.054  -1.871   0.050
  165   1HG2  VAL  24           HMG      VAL  24  -9.334  -2.185  -4.037
  166   2HG2  VAL  24           HMG      VAL  24  -7.940  -1.435  -3.224
  167   3HG2  VAL  24           HMG      VAL  24  -8.388  -3.118  -2.853
  168    H    ILE  25           HN       ILE  25 -10.995   0.859  -1.757
  169    HA   ILE  25           HA       ILE  25 -10.904   1.866  -4.508
  170    HB   ILE  25           HB       ILE  25 -12.567   3.670  -4.039
  171   1HG1  ILE  25           HG1      ILE  25 -12.317   3.519  -1.549
  172   2HG1  ILE  25           HG1      ILE  25 -14.000   3.663  -2.131
  173   1HG2  ILE  25           HMG      ILE  25 -13.274   1.709  -5.302
  174   2HG2  ILE  25           HMG      ILE  25 -13.737   0.891  -3.786
  175   3HG2  ILE  25           HMG      ILE  25 -14.606   2.360  -4.309
  176   1HD1  ILE  25           HMD      ILE  25 -13.604   0.923  -1.959
  177   2HD1  ILE  25           HMD      ILE  25 -12.729   1.567  -0.543
  178   3HD1  ILE  25           HMD      ILE  25 -14.456   1.950  -0.776
  179    H    GLY  26           HN       GLY  26  -9.690   3.669  -4.723
  180   1HA   GLY  26           HAR      GLY  26  -9.300   5.622  -2.737
  181   2HA   GLY  26           HAS      GLY  26  -7.873   4.552  -2.699
  182    H    ALA  27           HN       ALA  27  -8.712   7.404  -3.768
  183    HA   ALA  27           HA       ALA  27  -8.093   8.827  -5.456
  184   1HB   ALA  27           HMB      ALA  27  -5.935   7.531  -4.624
  185   2HB   ALA  27           HMB      ALA  27  -5.962   6.916  -6.296
  186   3HB   ALA  27           HMB      ALA  27  -5.889   8.670  -5.995
  187    H    GLY  28           HN       GLY  28 -10.129   6.921  -6.106
  188   1HA   GLY  28           HAS      GLY  28 -11.437   7.030  -8.052
  189   2HA   GLY  28           HAR      GLY  28  -9.967   7.339  -9.015
  190    H    LYS  29           HN       LYS  29  -8.702   5.017  -7.416
  191    HA   LYS  29           HA       LYS  29  -9.313   3.048  -9.488
  192   1HB   LYS  29           HBR      LYS  29  -7.146   3.526  -7.519
  193   2HB   LYS  29           HBS      LYS  29  -7.508   1.816  -7.889
  194   1HG   LYS  29           HGR      LYS  29  -7.117   2.201 -10.260
  195   2HG   LYS  29           HGS      LYS  29  -6.885   3.949  -9.969
  196   1HD   LYS  29           HDS      LYS  29  -4.901   3.534  -8.677
  197   2HD   LYS  29           HDR      LYS  29  -5.158   1.813  -8.754
  198   1HE   LYS  29           HES      LYS  29  -4.664   1.694 -11.053
  199   2HE   LYS  29           HER      LYS  29  -4.772   3.469 -11.224
  200   1HZ   LYS  29           HZB      LYS  29  -2.880   3.347  -9.474
  201   2HZ   LYS  29           HZC      LYS  29  -2.638   1.859 -10.102
  202   3HZ   LYS  29           HZA      LYS  29  -2.554   3.176 -11.065
  203    H    SER  30           HN       SER  30 -10.520   1.314  -9.275
  204    HA   SER  30           HA       SER  30 -11.173   0.325  -6.545
  205   1HB   SER  30           HBR      SER  30 -13.190   0.780  -7.773
  206   2HB   SER  30           HBS      SER  30 -12.591  -0.150  -9.178
  207    HG   SER  30           HG       SER  30 -13.449  -1.817  -8.423
  208    CH2  TRP  31           CH2      TRP  31  -3.873   1.707  -6.215
  209    H    TRP  31           HN       TRP  31 -10.107  -1.373  -5.886
  210    HA   TRP  31           HA       TRP  31  -8.456  -2.803  -7.910
  211   1HB   TRP  31           HBS      TRP  31  -7.528  -2.639  -5.091
  212   2HB   TRP  31           HBR      TRP  31  -6.611  -2.690  -6.623
  213    HD1  TRP  31           HD1      TRP  31  -9.113  -0.010  -5.260
  214    HE1  TRP  31           HE1      TRP  31  -7.917   2.265  -5.258
  215    HE3  TRP  31           HE3      TRP  31  -4.490  -1.596  -6.670
  216    HZ2  TRP  31           HZ2      TRP  31  -5.302   3.205  -5.640
  217    HZ3  TRP  31           HZ3      TRP  31  -2.648   0.022  -6.665
  218    HH2  TRP  31           HH2      TRP  31  -3.055   2.394  -6.267
  219    H    HIS  32           HN       ZHI  32  -7.446  -4.830  -6.617
  220    HA   HIS  32           HA       ZHI  32  -9.687  -6.335  -5.384
  221   1HB   HIS  32           HBS      ZHI  32  -7.033  -7.218  -6.552
  222   2HB   HIS  32           HBR      ZHI  32  -7.905  -8.232  -5.366
  223    HD2  HIS  32           HD2      ZHI  32 -10.636  -8.832  -6.267
  224    HE1  HIS  32           HE1      ZHI  32  -9.377  -8.952 -10.283
  225    HE2  HIS  32           HE2      ZHI  32 -11.097  -9.773  -8.635
  226    H    LYS  33           HN       LYS  33  -9.413  -7.329  -3.372
  227    HA   LYS  33           HA       LYS  33  -7.934  -6.043  -1.334
  228   1HB   LYS  33           HBR      LYS  33  -9.743  -8.196  -1.514
  229   2HB   LYS  33           HBS      LYS  33  -8.254  -8.862  -0.785
  230   1HG   LYS  33           HGR      LYS  33  -8.400  -7.500   1.092
  231   2HG   LYS  33           HGS      LYS  33  -9.402  -6.278   0.258
  232   1HD   LYS  33           HDS      LYS  33 -10.958  -7.212   1.609
  233   2HD   LYS  33           HDR      LYS  33 -11.178  -8.110   0.133
  234   1HE   LYS  33           HES      LYS  33  -9.656  -9.051   2.562
  235   2HE   LYS  33           HER      LYS  33 -11.265  -9.595   2.008
  236   1HZ   LYS  33           HZB      LYS  33  -9.932 -10.111  -0.129
  237   2HZ   LYS  33           HZC      LYS  33  -8.650 -10.160   0.881
  238   3HZ   LYS  33           HZA      LYS  33  -9.918 -11.162   1.121
  239    H    SER  34           HN       SER  34  -6.958  -8.182  -3.836
  240    HA   SER  34           HA       SER  34  -4.568  -9.049  -2.338
  241   1HB   SER  34           HBS      SER  34  -4.356 -10.793  -3.942
  242   2HB   SER  34           HBR      SER  34  -6.059 -10.734  -3.402
  243    HG   SER  34           HG       SER  34  -5.246 -10.935  -5.806
  244    H    CYS  35           HN       CYS  35  -5.552  -6.904  -4.839
  245    HA   CYS  35           HA       CYS  35  -2.850  -6.815  -6.067
  246   1HB   CYS  35           HBS      CYS  35  -5.456  -5.510  -6.887
  247   2HB   CYS  35           HBR      CYS  35  -3.878  -5.277  -7.694
  248    H    PHE  36           HN       PHE  36  -4.930  -5.316  -3.781
  249    HA   PHE  36           HA       PHE  36  -3.760  -2.726  -3.628
  250   1HB   PHE  36           HBR      PHE  36  -5.775  -3.960  -2.234
  251   2HB   PHE  36           HBS      PHE  36  -4.453  -3.979  -1.030
  252    HD1  PHE  36           HD2      PHE  36  -3.102  -1.332  -1.873
  253    HD2  PHE  36           HD1      PHE  36  -7.184  -2.433  -1.333
  254    HE1  PHE  36           HE2      PHE  36  -3.615   0.959  -1.079
  255    HE2  PHE  36           HE1      PHE  36  -7.766  -0.097  -0.854
  256    HZ   PHE  36           HZ       PHE  36  -5.971   1.580  -0.625
  257    NH1  ARG  37           NH1      ARG  37   3.654  -3.530  -6.178
  258    NH2  ARG  37           NH2      ARG  37   3.558  -3.195  -8.449
  259    H    ARG  37           HN       ARG  37  -1.594  -2.716  -3.852
  260    HA   ARG  37           HA       ARG  37   0.007  -4.161  -1.793
  261   1HB   ARG  37           HBR      ARG  37   1.663  -4.665  -3.500
  262   2HB   ARG  37           HBS      ARG  37   0.082  -5.397  -3.894
  263   1HG   ARG  37           HGS      ARG  37  -0.312  -3.448  -5.452
  264   2HG   ARG  37           HGR      ARG  37   1.391  -2.986  -5.182
  265   1HD   ARG  37           HDS      ARG  37   1.822  -5.500  -5.796
  266   2HD   ARG  37           HDR      ARG  37   0.236  -5.338  -6.601
  267    HE   ARG  37           HE       ARG  37   1.244  -4.061  -8.231
  268   1HH1  ARG  37           HH1      ARG  37   3.233  -3.843  -5.327
  269   2HH1  ARG  37           HH1      ARG  37   4.573  -3.136  -6.167
  270   1HH2  ARG  37           HH2      ARG  37   3.063  -3.255  -9.316
  271   2HH2  ARG  37           HH2      ARG  37   4.478  -2.803  -8.423
  272    H    CYS  38           HN       CYS  38   1.307  -2.906  -0.702
  273    HA   CYS  38           HA       CYS  38   2.089  -0.223  -1.375
  274   1HB   CYS  38           HBS      CYS  38   2.151  -1.314   0.902
  275   2HB   CYS  38           HBR      CYS  38   3.602  -2.195   0.340
  276    H    ALA  39           HN       ALA  39   3.022   0.174  -3.243
  277    HA   ALA  39           HA       ALA  39   5.385  -1.395  -4.075
  278   1HB   ALA  39           HMB      ALA  39   3.766   0.831  -5.304
  279   2HB   ALA  39           HMB      ALA  39   5.378   0.388  -5.921
  280   3HB   ALA  39           HMB      ALA  39   4.068  -0.820  -5.908
  281    H    LYS  40           HN       LYS  40   5.461  -0.077  -1.545
  282    HA   LYS  40           HA       LYS  40   7.608   1.922  -2.091
  283   1HB   LYS  40           HBR      LYS  40   5.210   2.339  -0.781
  284   2HB   LYS  40           HBS      LYS  40   6.351   2.020   0.556
  285   1HG   LYS  40           HGR      LYS  40   7.063   3.985  -1.623
  286   2HG   LYS  40           HGS      LYS  40   5.992   4.472  -0.278
  287   1HD   LYS  40           HDS      LYS  40   7.928   5.074   0.661
  288   2HD   LYS  40           HDR      LYS  40   7.865   3.416   1.194
  289   1HE   LYS  40           HES      LYS  40  10.013   3.504   0.456
  290   2HE   LYS  40           HER      LYS  40   9.171   2.928  -1.010
  291   1HZ   LYS  40           HZC      LYS  40   9.024   5.555  -1.288
  292   2HZ   LYS  40           HZA      LYS  40  10.457   5.440  -0.514
  293   3HZ   LYS  40           HZB      LYS  40  10.221   4.643  -1.920
  294    H    CYS  41           HN       CYS  41   6.447  -0.679   0.043
  295    HA   CYS  41           HA       CYS  41   9.300  -1.176   0.734
  296   1HB   CYS  41           HBS      CYS  41   8.577  -2.453   2.670
  297   2HB   CYS  41           HBR      CYS  41   8.112  -0.733   2.761
  298    H    GLY  42           HN       GLY  42   6.276  -2.364  -0.567
  299   1HA   GLY  42           HAS      GLY  42   6.306  -3.752  -2.504
  300   2HA   GLY  42           HAR      GLY  42   7.852  -4.455  -1.962
  301    H    LYS  43           HN       LYS  43   5.444  -4.007   0.466
  302    HA   LYS  43           HA       LYS  43   4.724  -6.896   0.400
  303   1HB   LYS  43           HBS      LYS  43   5.496  -5.355   2.542
  304   2HB   LYS  43           HBR      LYS  43   3.714  -5.257   2.625
  305   1HG   LYS  43           HGR      LYS  43   3.616  -7.749   2.571
  306   2HG   LYS  43           HGS      LYS  43   5.403  -7.790   2.606
  307   1HD   LYS  43           HDS      LYS  43   5.526  -6.949   4.763
  308   2HD   LYS  43           HDR      LYS  43   3.911  -6.297   4.710
  309   1HE   LYS  43           HES      LYS  43   4.189  -9.247   4.464
  310   2HE   LYS  43           HER      LYS  43   4.481  -8.482   6.052
  311   1HZ   LYS  43           HZA      LYS  43   2.091  -7.808   4.529
  312   2HZ   LYS  43           HZB      LYS  43   2.128  -9.186   5.405
  313   3HZ   LYS  43           HZC      LYS  43   2.340  -7.744   6.142
  314    H    SER  44           HN       SER  44   2.594  -7.508   0.342
  315    HA   SER  44           HA       SER  44   0.647  -5.544  -0.670
  316   1HB   SER  44           HBR      SER  44   0.107  -8.450  -0.051
  317   2HB   SER  44           HBS      SER  44  -0.773  -7.337  -1.139
  318    HG   SER  44           HG       SER  44   0.310  -8.108  -2.672
  319    H    LEU  45           HN       LEU  45  -1.228  -4.999   0.384
  320    HA   LEU  45           HA       LEU  45  -2.152  -6.245   2.693
  321   1HB   LEU  45           HBR      LEU  45  -1.797  -4.250   4.288
  322   2HB   LEU  45           HBS      LEU  45  -0.469  -5.416   4.027
  323    HG   LEU  45           HG       LEU  45   0.500  -3.746   2.388
  324   1HD1  LEU  45           HMD      LEU  45  -1.914  -2.469   2.681
  325   2HD1  LEU  45           HMD      LEU  45  -0.865  -1.545   3.784
  326   3HD1  LEU  45           HMD      LEU  45  -0.417  -1.721   2.068
  327   1HD2  LEU  45           HMD      LEU  45   0.648  -4.054   5.156
  328   2HD2  LEU  45           HMD      LEU  45   1.818  -3.208   4.113
  329   3HD2  LEU  45           HMD      LEU  45   0.515  -2.294   4.916
  330    H    GLU  46           HN       GLU  46  -3.710  -4.435   3.895
  331    HA   GLU  46           HA       GLU  46  -5.021  -2.602   2.258
  332   1HB   GLU  46           HBR      GLU  46  -7.003  -3.906   1.581
  333   2HB   GLU  46           HBS      GLU  46  -5.571  -4.211   0.760
  334   1HG   GLU  46           HGS      GLU  46  -6.546  -6.328   1.061
  335   2HG   GLU  46           HGR      GLU  46  -5.119  -6.296   2.131
  336    H    SER  47           HN       SER  47  -7.676  -2.982   2.975
  337    HA   SER  47           HA       SER  47  -9.236  -3.073   4.628
  338   1HB   SER  47           HBR      SER  47  -7.373  -5.153   5.286
  339   2HB   SER  47           HBS      SER  47  -7.946  -4.364   6.783
  340    HG   SER  47           HG       SER  47 -10.136  -4.433   5.733
  341    H    THR  48           HN       THR  48  -6.544  -3.166   6.917
  342    HA   THR  48           HA       THR  48  -7.297  -0.430   7.823
  343    HB   THR  48           HB       THR  48  -8.613  -2.152   9.078
  344    HG1  THR  48           HG1      THR  48  -8.278  -1.359  10.798
  345   1HG2  THR  48           HMG      THR  48  -5.907  -3.163   9.993
  346   2HG2  THR  48           HMG      THR  48  -7.464  -3.571  10.759
  347   3HG2  THR  48           HMG      THR  48  -7.141  -4.064   9.077
  348    H    THR  49           HN       THR  49  -4.991  -1.124   6.339
  349    HA   THR  49           HA       THR  49  -2.957  -0.019   8.114
  350    HB   THR  49           HB       THR  49  -1.434  -2.118   7.342
  351    HG1  THR  49           HG1      THR  49  -2.342  -3.618   6.906
  352   1HG2  THR  49           HMG      THR  49  -2.154  -1.268   9.733
  353   2HG2  THR  49           HMG      THR  49  -3.177  -2.727   9.695
  354   3HG2  THR  49           HMG      THR  49  -1.410  -2.872   9.507
  355    H    LEU  50           HN       LEU  50  -4.261   0.835   5.736
  356    HA   LEU  50           HA       LEU  50  -1.961   0.822   3.840
  357   1HB   LEU  50           HBR      LEU  50  -3.475   0.534   2.060
  358   2HB   LEU  50           HBS      LEU  50  -3.906  -0.672   3.306
  359    HG   LEU  50           HG       LEU  50  -5.606   1.372   3.918
  360   1HD1  LEU  50           HMD      LEU  50  -4.781   1.647   1.098
  361   2HD1  LEU  50           HMD      LEU  50  -6.541   1.536   1.352
  362   3HD1  LEU  50           HMD      LEU  50  -5.600   2.804   2.177
  363   1HD2  LEU  50           HMD      LEU  50  -5.873  -1.004   2.057
  364   2HD2  LEU  50           HMD      LEU  50  -6.225  -0.928   3.802
  365   3HD2  LEU  50           HMD      LEU  50  -7.262  -0.055   2.645
  366    H    ALA  51           HN       ALA  51  -1.974   2.632   2.320
  367    HA   ALA  51           HA       ALA  51  -3.525   5.037   3.017
  368   1HB   ALA  51           HMB      ALA  51  -0.531   4.787   3.411
  369   2HB   ALA  51           HMB      ALA  51  -1.428   6.327   3.373
  370   3HB   ALA  51           HMB      ALA  51  -1.768   5.128   4.647
  371    H    ASP  52           HN       ASP  52  -4.280   5.350   1.029
  372    HA   ASP  52           HA       ASP  52  -2.546   5.332  -1.313
  373   1HB   ASP  52           HBR      ASP  52  -4.431   5.995  -2.574
  374   2HB   ASP  52           HBS      ASP  52  -4.915   4.690  -1.454
  375    H    LYS  53           HN       LYS  53  -2.728   7.403  -2.723
  376    HA   LYS  53           HA       LYS  53  -2.603   9.926  -1.494
  377   1HB   LYS  53           HBR      LYS  53  -0.301   8.376  -0.891
  378   2HB   LYS  53           HBS      LYS  53   0.178   9.589  -2.113
  379   1HG   LYS  53           HGR      LYS  53  -1.493  10.742  -0.003
  380   2HG   LYS  53           HGS      LYS  53  -0.010   9.982   0.644
  381   1HD   LYS  53           HDS      LYS  53   1.383  11.442  -0.361
  382   2HD   LYS  53           HDR      LYS  53   0.348  11.652  -1.746
  383   1HE   LYS  53           HES      LYS  53   0.300  13.723  -0.699
  384   2HE   LYS  53           HER      LYS  53  -1.228  12.932  -0.225
  385   1HZ   LYS  53           HZB      LYS  53  -0.051  12.252   1.817
  386   2HZ   LYS  53           HZC      LYS  53   1.205  13.206   1.394
  387   3HZ   LYS  53           HZA      LYS  53  -0.261  13.866   1.683
  388    H    ASP  54           HN       ASP  54  -3.522  10.681  -3.307
  389    HA   ASP  54           HA       ASP  54  -3.598  11.669  -5.346
  390   1HB   ASP  54           HBS      ASP  54  -0.698  11.789  -4.599
  391   2HB   ASP  54           HBR      ASP  54  -1.296  12.490  -6.130
  392    H    GLY  55           HN       GLY  55  -3.264   8.683  -5.196
  393   1HA   GLY  55           HAR      GLY  55  -4.013   7.538  -7.202
  394   2HA   GLY  55           HAS      GLY  55  -2.726   8.371  -8.114
  395    H    GLU  56           HN       GLU  56  -0.791   7.993  -5.881
  396    HA   GLU  56           HA       GLU  56  -0.243   5.074  -6.229
  397   1HB   GLU  56           HBR      GLU  56   2.093   5.708  -5.742
  398   2HB   GLU  56           HBS      GLU  56   1.458   6.220  -7.208
  399   1HG   GLU  56           HGS      GLU  56   1.603   8.399  -6.850
  400   2HG   GLU  56           HGR      GLU  56   1.129   8.315  -5.132
  401    H    ILE  57           HN       ILE  57   0.909   4.162  -4.319
  402    HA   ILE  57           HA       ILE  57  -0.363   5.102  -1.806
  403    HB   ILE  57           HB       ILE  57  -1.618   2.996  -1.642
  404   1HG1  ILE  57           HG1      ILE  57  -0.521   2.346  -4.406
  405   2HG1  ILE  57           HG1      ILE  57  -0.001   1.591  -2.872
  406   1HG2  ILE  57           HMG      ILE  57  -2.386   5.082  -3.090
  407   2HG2  ILE  57           HMG      ILE  57  -2.364   3.860  -4.390
  408   3HG2  ILE  57           HMG      ILE  57  -3.375   3.605  -2.942
  409   1HD1  ILE  57           HMD      ILE  57  -2.895   1.444  -3.317
  410   2HD1  ILE  57           HMD      ILE  57  -1.936   0.626  -4.579
  411   3HD1  ILE  57           HMD      ILE  57  -1.730   0.172  -2.866
  412    OH   TYR  58           OH       TYR  58   2.609   8.599   3.636
  413    H    TYR  58           HN       TYR  58   0.714   4.585  -0.035
  414    HA   TYR  58           HA       TYR  58   2.342   2.134  -0.074
  415   1HB   TYR  58           HBR      TYR  58   4.043   3.077   1.410
  416   2HB   TYR  58           HBS      TYR  58   4.000   3.954  -0.146
  417    HD1  TYR  58           HD2      TYR  58   2.176   6.012  -0.006
  418    HD2  TYR  58           HD1      TYR  58   4.362   4.428   3.280
  419    HE1  TYR  58           HE2      TYR  58   1.742   8.068   1.262
  420    HE2  TYR  58           HE1      TYR  58   3.934   6.482   4.561
  421    HH   TYR  58           HH       TYR  58   3.583   8.833   4.062
  422    H    CYS  59           HN       CYS  59   2.923   1.838   2.498
  423    HA   CYS  59           HA       CYS  59   0.139   1.308   3.259
  424   1HB   CYS  59           HBS      CYS  59   0.770  -0.808   3.935
  425   2HB   CYS  59           HBR      CYS  59   1.579  -0.474   2.385
  426    H    LYS  60           HN       LYS  60  -0.372   0.719   5.493
  427    HA   LYS  60           HA       LYS  60   0.573   2.789   7.375
  428   1HB   LYS  60           HBS      LYS  60  -1.857   1.907   7.208
  429   2HB   LYS  60           HBR      LYS  60  -1.223   0.455   8.034
  430   1HG   LYS  60           HGR      LYS  60  -1.997   1.703   9.823
  431   2HG   LYS  60           HGS      LYS  60  -0.282   2.199   9.763
  432   1HD   LYS  60           HDS      LYS  60  -0.935   4.180   8.436
  433   2HD   LYS  60           HDR      LYS  60  -2.605   3.706   8.583
  434   1HE   LYS  60           HES      LYS  60  -2.258   5.368  10.209
  435   2HE   LYS  60           HER      LYS  60  -2.359   3.805  11.069
  436   1HZ   LYS  60           HZA      LYS  60   0.213   4.953  10.281
  437   2HZ   LYS  60           HZB      LYS  60  -0.504   5.369  11.687
  438   3HZ   LYS  60           HZC      LYS  60  -0.091   3.814  11.410
  439    H    GLY  61           HN       GLY  61   1.214  -0.436   6.348
  440   1HA   GLY  61           HAR      GLY  61   2.819  -1.372   8.509
  441   2HA   GLY  61           HAS      GLY  61   3.009  -1.793   6.786
  442    H    CYS  62           HN       CYS  62   3.138   1.340   6.439
  443    HA   CYS  62           HA       CYS  62   6.069   1.358   6.685
  444   1HB   CYS  62           HBS      CYS  62   4.055   2.104   4.677
  445   2HB   CYS  62           HBR      CYS  62   5.344   3.320   4.887
  446    OH   TYR  63           OH       TYR  63   2.285  11.154   7.893
  447    H    TYR  63           HN       TYR  63   3.281   3.579   6.892
  448    HA   TYR  63           HA       TYR  63   4.571   5.675   8.324
  449   1HB   TYR  63           HBR      TYR  63   1.975   5.097   7.421
  450   2HB   TYR  63           HBS      TYR  63   1.838   5.192   9.200
  451    HD1  TYR  63           HD2      TYR  63   3.094   7.065   6.226
  452    HD2  TYR  63           HD1      TYR  63   1.799   7.318  10.269
  453    HE1  TYR  63           HE2      TYR  63   3.028   9.511   6.044
  454    HE2  TYR  63           HE1      TYR  63   1.754   9.770  10.108
  455    HH   TYR  63           HH       TYR  63   2.376  11.530   8.910
  456    H    ALA  64           HN       ALA  64   3.770   2.433   9.151
  457    HA   ALA  64           HA       ALA  64   4.129   2.895  12.031
  458   1HB   ALA  64           HMB      ALA  64   2.568   1.174  11.016
  459   2HB   ALA  64           HMB      ALA  64   4.027   0.248  10.581
  460   3HB   ALA  64           HMB      ALA  64   3.674   0.602  12.291
  461    H    LYS  65           HN       LYS  65   5.720   0.711   9.673
  462    HA   LYS  65           HA       LYS  65   7.769   0.016  11.404
  463   1HB   LYS  65           HBR      LYS  65   7.366  -0.191   8.451
  464   2HB   LYS  65           HBS      LYS  65   9.012  -0.462   9.091
  465   1HG   LYS  65           HGR      LYS  65   6.571  -1.916  10.159
  466   2HG   LYS  65           HGS      LYS  65   7.548  -2.530   8.795
  467   1HD   LYS  65           HDS      LYS  65   9.558  -2.367  10.307
  468   2HD   LYS  65           HDR      LYS  65   8.460  -2.025  11.615
  469   1HE   LYS  65           HES      LYS  65   9.221  -4.426  11.371
  470   2HE   LYS  65           HER      LYS  65   7.471  -4.124  11.554
  471   1HZ   LYS  65           HZC      LYS  65   8.649  -4.335   8.897
  472   2HZ   LYS  65           HZA      LYS  65   8.289  -5.690   9.733
  473   3HZ   LYS  65           HZB      LYS  65   7.111  -4.620   9.369
  474    H    ASN  66           HN       ASN  66   7.486   2.801   9.331
  475    HA   ASN  66           HA       ASN  66  10.360   3.280   9.349
  476   1HB   ASN  66           HBS      ASN  66   8.275   3.793   7.550
  477   2HB   ASN  66           HBR      ASN  66   8.885   5.386   8.087
  478   1HD2  ASN  66           HD2      ASN  66  11.641   5.280   5.994
  479   2HD2  ASN  66           HD2      ASN  66  10.472   6.193   6.889
  480    H    PHE  67           HN       PHE  67   7.647   4.192  11.185
  481    HA   PHE  67           HA       PHE  67   8.986   6.681  12.104
  482   1HB   PHE  67           HBS      PHE  67   6.069   5.940  11.807
  483   2HB   PHE  67           HBR      PHE  67   6.575   7.167  13.005
  484    HD1  PHE  67           HD1      PHE  67   7.917   9.078  12.265
  485    HD2  PHE  67           HD2      PHE  67   5.801   6.625   9.497
  486    HE1  PHE  67           HE1      PHE  67   8.109  10.850  10.579
  487    HE2  PHE  67           HE2      PHE  67   5.977   8.398   7.782
  488    HZ   PHE  67           HZ       PHE  67   7.191  10.491   8.319
  489    H    GLY  68           HN       GLY  68   9.430   3.888  13.050
  490   1HA   GLY  68           HAS      GLY  68   8.791   4.360  15.935
  491   2HA   GLY  68           HAR      GLY  68   8.947   2.748  15.184
  492    HA   PRO  69           HA       PRO  69  13.385   4.770  15.478
  493   1HB   PRO  69           HBS      PRO  69  13.373   6.925  17.096
  494   2HB   PRO  69           HBR      PRO  69  13.614   6.963  15.472
  495   1HG   PRO  69           HGS      PRO  69  11.350   7.701  16.930
  496   2HG   PRO  69           HGR      PRO  69  11.758   8.131  15.371
  497   1HD   PRO  69           HDS      PRO  69   9.864   6.354  16.022
  498   2HD   PRO  69           HDR      PRO  69  10.544   6.508  14.522
  499    H    LYS  70           HN       LYS  70  14.145   3.107  16.496
  500    HA   LYS  70           HA       LYS  70  13.018   2.530  19.131
  501   1HB   LYS  70           HBS      LYS  70  13.584   0.944  17.030
  502   2HB   LYS  70           HBR      LYS  70  15.109   0.777  17.947
  503   1HG   LYS  70           HGR      LYS  70  13.822   0.073  19.938
  504   2HG   LYS  70           HGS      LYS  70  12.307   0.215  18.999
  505   1HD   LYS  70           HDS      LYS  70  14.567  -1.734  18.575
  506   2HD   LYS  70           HDR      LYS  70  12.952  -2.066  19.137
  507   1HE   LYS  70           HES      LYS  70  12.308  -2.452  17.068
  508   2HE   LYS  70           HER      LYS  70  12.628  -0.734  16.694
  509   1HZ   LYS  70           HZC      LYS  70  14.760  -2.739  16.656
  510   2HZ   LYS  70           HZA      LYS  70  13.826  -2.463  15.344
  511   3HZ   LYS  70           HZB      LYS  70  14.742  -1.260  15.964
  512    H    GLY  71           HN       GLY  71  13.991   4.044  20.473
  513   1HA   GLY  71           HAS      GLY  71  15.545   4.755  22.018
  514   2HA   GLY  71           HAR      GLY  71  16.187   3.098  21.858
  515    H    PHE  72           HN       PHE  72  18.285   3.100  21.507
  516    HA   PHE  72           HA       PHE  72  19.415   4.565  19.311
  517   1HB   PHE  72           HBR      PHE  72  21.368   5.440  20.852
  518   2HB   PHE  72           HBS      PHE  72  19.904   6.429  20.582
  519    HD1  PHE  72           HD2      PHE  72  20.900   3.665  23.001
  520    HD2  PHE  72           HD1      PHE  72  19.208   7.522  22.362
  521    HE1  PHE  72           HE2      PHE  72  20.411   3.843  25.418
  522    HE2  PHE  72           HE1      PHE  72  18.708   7.723  24.756
  523    HZ   PHE  72           HZ       PHE  72  19.254   5.860  26.277
  524    H    GLY  73           HN       GLY  73  21.230   3.616  18.558
  525   1HA   GLY  73           HAS      GLY  73  21.652   0.907  19.624
  526   2HA   GLY  73           HAR      GLY  73  22.099   1.509  18.006
  527    H    PHE  74           HN       PHE  74  22.832   2.659  21.321
  528    HA   PHE  74           HA       PHE  74  25.651   1.879  20.914
  529   1HB   PHE  74           HBS      PHE  74  25.314   4.455  20.598
  530   2HB   PHE  74           HBR      PHE  74  25.078   4.467  22.371
  531    HD1  PHE  74           HD1      PHE  74  27.336   3.177  19.754
  532    HD2  PHE  74           HD2      PHE  74  27.044   4.599  23.760
  533    HE1  PHE  74           HE1      PHE  74  29.784   3.149  19.920
  534    HE2  PHE  74           HE2      PHE  74  29.509   4.577  23.954
  535    HZ   PHE  74           HZ       PHE  74  30.876   3.906  21.997
  536    H    GLY  75           HN       GLY  75  25.531   0.177  22.241
  537   1HA   GLY  75           HAS      GLY  75  25.266   0.855  25.127
  538   2HA   GLY  75           HAR      GLY  75  24.557  -0.658  24.503
  539    H    GLN  76           HN       GLN  76  25.949  -1.845  25.870
  540    HA   GLN  76           HA       GLN  76  27.672  -3.299  26.132
  541   1HB   GLN  76           HBS      GLN  76  27.373  -3.715  23.758
  542   2HB   GLN  76           HBR      GLN  76  28.475  -2.365  23.364
  543   1HG   GLN  76           HGS      GLN  76  29.937  -4.097  23.182
  544   2HG   GLN  76           HGR      GLN  76  30.124  -3.740  24.922
  545   1HE2  GLN  76           HE2      GLN  76  28.306  -6.614  26.024
  546   2HE2  GLN  76           HE2      GLN  76  28.482  -4.920  26.342
  547    H    GLY  77           HN       GLY  77  28.762  -2.532  27.810
  548   1HA   GLY  77           HAR      GLY  77  31.238  -1.005  27.406
  549   2HA   GLY  77           HAS      GLY  77  29.915  -0.125  28.217
  550    H    ALA  78           HN       ALA  78  30.002  -3.559  28.615
  551    HA   ALA  78           HA       ALA  78  31.391  -3.287  31.241
  552   1HB   ALA  78           HMB      ALA  78  29.091  -5.061  30.412
  553   2HB   ALA  78           HMB      ALA  78  30.122  -5.408  31.822
  554   3HB   ALA  78           HMB      ALA  78  29.179  -3.898  31.759
  555    H    GLY  79           HN       GLY  79  30.675  -5.433  28.473
  556   1HA   GLY  79           HAR      GLY  79  33.286  -6.811  28.829
  557   2HA   GLY  79           HAS      GLY  79  31.987  -7.281  27.700
  558    H    ALA  80           HN       ALA  80  34.992  -6.001  27.858
  559    HA   ALA  80           HA       ALA  80  34.832  -3.626  26.331
  560   1HB   ALA  80           HMB      ALA  80  36.702  -4.333  27.830
  561   2HB   ALA  80           HMB      ALA  80  37.208  -5.487  26.571
  562   3HB   ALA  80           HMB      ALA  80  37.213  -3.736  26.231
  563    H    LEU  81           HN       LEU  81  35.540  -3.190  24.208
  564    HA   LEU  81           HA       LEU  81  35.069  -5.367  22.261
  565   1HB   LEU  81           HBR      LEU  81  34.692  -2.512  22.382
  566   2HB   LEU  81           HBS      LEU  81  35.728  -2.935  20.988
  567    HG   LEU  81           HG       LEU  81  34.027  -4.294  20.032
  568   1HD1  LEU  81           HMD      LEU  81  33.235  -4.934  22.504
  569   2HD1  LEU  81           HMD      LEU  81  32.031  -3.668  22.159
  570   3HD1  LEU  81           HMD      LEU  81  32.165  -5.086  21.088
  571   1HD2  LEU  81           HMD      LEU  81  33.874  -1.582  20.380
  572   2HD2  LEU  81           HMD      LEU  81  32.832  -2.535  19.294
  573   3HD2  LEU  81           HMD      LEU  81  32.261  -2.109  20.928
  574    H    ILE  82           HN       ILE  82  37.571  -3.730  23.932
  575    HA   ILE  82           HA       ILE  82  39.841  -3.917  23.897
  576    HB   ILE  82           HB       ILE  82  40.648  -6.179  23.599
  577   1HG1  ILE  82           HG1      ILE  82  38.042  -7.201  22.506
  578   2HG1  ILE  82           HG1      ILE  82  39.176  -6.387  21.393
  579   1HG2  ILE  82           HMG      ILE  82  38.149  -5.662  25.042
  580   2HG2  ILE  82           HMG      ILE  82  38.469  -7.387  24.717
  581   3HG2  ILE  82           HMG      ILE  82  39.678  -6.403  25.585
  582   1HD1  ILE  82           HMD      ILE  82  40.502  -8.371  23.074
  583   2HD1  ILE  82           HMD      ILE  82  39.184  -9.068  22.095
  584   3HD1  ILE  82           HMD      ILE  82  40.508  -8.173  21.301
  585    H    HIS  83           HN       HIS  83  39.242  -2.283  21.928
  586    HA   HIS  83           HA       HIS  83  40.841  -3.097  19.579
  587   1HB   HIS  83           HBS      HIS  83  38.831  -1.589  19.264
  588   2HB   HIS  83           HBR      HIS  83  39.718  -0.329  20.169
  589    HD1  HIS  83           HD1      HIS  83  40.999   1.243  18.656
  590    HD2  HIS  83           HD2      HIS  83  40.576  -2.554  16.999
  591    HE1  HIS  83           HE1      HIS  83  42.207   1.291  16.460
  592    HE2  HIS  83           HE2      HIS  83  41.975  -1.011  15.464
  593    H    SER  84           HN       SER  84  40.869  -0.188  21.659
  594    HA   SER  84           HA       SER  84  42.539   0.903  22.755
  595   1HB   SER  84           HBS      SER  84  43.042  -1.926  23.096
  596   2HB   SER  84           HBR      SER  84  44.565  -0.991  23.111
  597    HG   SER  84           HG       SER  84  42.896  -1.429  25.070
  598    H    GLN  85           HN       GLN  85  44.703  -1.405  21.153
  599    HA   GLN  85           HA       GLN  85  45.753   0.671  19.358
  600   1HB   GLN  85           HBS      GLN  85  46.793   1.052  21.617
  601   2HB   GLN  85           HBR      GLN  85  47.563  -0.550  21.447
  602   1HG   GLN  85           HGS      GLN  85  49.120   1.176  20.801
  603   2HG   GLN  85           HGR      GLN  85  48.649   0.219  19.370
  604   1HE2  GLN  85           HE2      GLN  85  47.469   2.886  17.541
  605   2HE2  GLN  85           HE2      GLN  85  47.882   1.206  17.640
   
  Start of MODEL           5
 Raw file had  605 H/Q atoms
  Start of MODEL    5
    1   1H    MET   1           HNC      MET   1 -24.841 -18.930 -20.310
    2   2H    MET   1           HN       MET   1 -26.287 -18.254 -19.967
    3   3H    MET   1           HNB      MET   1 -25.382 -17.666 -21.192
    4    HA   MET   1           HA       MET   1 -24.880 -16.123 -19.709
    5   1HB   MET   1           HBS      MET   1 -24.659 -16.753 -17.238
    6   2HB   MET   1           HBR      MET   1 -26.292 -16.781 -17.958
    7   1HG   MET   1           HGS      MET   1 -26.038 -19.261 -18.298
    8   2HG   MET   1           HGR      MET   1 -24.477 -19.168 -17.446
    9   1HE   MET   1           HME      MET   1 -25.853 -21.048 -16.222
   10   2HE   MET   1           HME      MET   1 -26.853 -20.742 -14.780
   11   3HE   MET   1           HME      MET   1 -27.593 -20.711 -16.400
   12    H    ALA   2           HN       ALA   2 -23.016 -16.341 -21.060
   13    HA   ALA   2           HA       ALA   2 -20.711 -17.899 -20.156
   14   1HB   ALA   2           HMB      ALA   2 -21.122 -17.258 -22.537
   15   2HB   ALA   2           HMB      ALA   2 -20.813 -15.563 -22.079
   16   3HB   ALA   2           HMB      ALA   2 -19.527 -16.785 -21.899
   17    H    GLN   3           HN       GLN   3 -18.723 -15.966 -20.389
   18    HA   GLN   3           HA       GLN   3 -19.051 -14.400 -17.917
   19   1HB   GLN   3           HBS      GLN   3 -16.643 -13.648 -18.672
   20   2HB   GLN   3           HBR      GLN   3 -16.939 -15.189 -17.819
   21   1HG   GLN   3           HGS      GLN   3 -17.086 -15.320 -20.768
   22   2HG   GLN   3           HGR      GLN   3 -15.478 -14.929 -20.097
   23   1HE2  GLN   3           HE2      GLN   3 -15.952 -18.625 -20.511
   24   2HE2  GLN   3           HE2      GLN   3 -16.115 -17.253 -21.555
   25    H    LYS   4           HN       LYS   4 -19.660 -12.389 -17.884
   26    HA   LYS   4           HA       LYS   4 -19.363 -10.747 -20.336
   27   1HB   LYS   4           HBR      LYS   4 -21.868 -11.578 -19.236
   28   2HB   LYS   4           HBS      LYS   4 -21.655  -9.836 -18.898
   29   1HG   LYS   4           HGR      LYS   4 -21.987  -9.267 -21.049
   30   2HG   LYS   4           HGS      LYS   4 -20.925 -10.573 -21.648
   31   1HD   LYS   4           HDS      LYS   4 -22.602 -12.028 -21.958
   32   2HD   LYS   4           HDR      LYS   4 -23.485 -11.478 -20.559
   33   1HE   LYS   4           HES      LYS   4 -23.902  -9.327 -22.006
   34   2HE   LYS   4           HER      LYS   4 -23.548 -10.455 -23.346
   35   1HZ   LYS   4           HZC      LYS   4 -25.540 -10.995 -21.258
   36   2HZ   LYS   4           HZA      LYS   4 -25.907 -10.311 -22.695
   37   3HZ   LYS   4           HZB      LYS   4 -25.303 -11.828 -22.643
   38    H    VAL   5           HN       VAL   5 -20.446  -8.427 -19.295
   39    HA   VAL   5           HA       VAL   5 -18.402  -7.792 -17.230
   40    HB   VAL   5           HB       VAL   5 -18.139  -6.725 -19.474
   41   1HG1  VAL   5           HMG      VAL   5 -20.727  -5.359 -18.720
   42   2HG1  VAL   5           HMG      VAL   5 -19.580  -4.697 -19.911
   43   3HG1  VAL   5           HMG      VAL   5 -20.347  -6.278 -20.197
   44   1HG2  VAL   5           HMG      VAL   5 -17.711  -5.717 -16.951
   45   2HG2  VAL   5           HMG      VAL   5 -17.058  -5.060 -18.470
   46   3HG2  VAL   5           HMG      VAL   5 -18.549  -4.381 -17.778
   47    H    GLY   6           HN       GLY   6 -21.027  -8.979 -16.808
   48   1HA   GLY   6           HAR      GLY   6 -22.617  -6.923 -15.442
   49   2HA   GLY   6           HAS      GLY   6 -22.872  -8.687 -15.398
   50    H    GLY   7           HN       GLY   7 -21.060  -5.974 -14.083
   51   1HA   GLY   7           HAS      GLY   7 -20.099  -7.675 -11.822
   52   2HA   GLY   7           HAR      GLY   7 -18.998  -6.603 -12.728
   53    H    SER   8           HN       SER   8 -18.800  -5.905 -10.354
   54    HA   SER   8           HA       SER   8 -20.903  -3.911  -9.672
   55   1HB   SER   8           HBS      SER   8 -20.327  -6.198  -8.297
   56   2HB   SER   8           HBR      SER   8 -19.307  -4.998  -7.453
   57    HG   SER   8           HG       SER   8 -20.937  -4.307  -6.460
   58    H    ASP   9           HN       ASP   9 -17.466  -4.766  -9.162
   59    HA   ASP   9           HA       ASP   9 -16.653  -2.116  -9.748
   60   1HB   ASP   9           HBS      ASP   9 -17.088  -2.688  -6.931
   61   2HB   ASP   9           HBR      ASP   9 -15.417  -2.166  -7.293
   62    H    GLY  10           HN       GLY  10 -14.845  -2.279 -10.785
   63   1HA   GLY  10           HAR      GLY  10 -13.654  -4.983 -10.797
   64   2HA   GLY  10           HAS      GLY  10 -13.739  -3.845 -12.169
   65    H    CYS  11           HN       CYS  11 -11.396  -4.928 -11.941
   66    HA   CYS  11           HA       CYS  11  -9.705  -3.308 -10.109
   67   1HB   CYS  11           HBS      CYS  11 -10.156  -5.816  -9.711
   68   2HB   CYS  11           HBR      CYS  11  -9.093  -6.076 -11.123
   69    HA   PRO  12           HA       PRO  12  -7.609  -2.030 -13.853
   70   1HB   PRO  12           HBR      PRO  12  -6.445  -0.056 -12.345
   71   2HB   PRO  12           HBS      PRO  12  -7.558   0.138 -13.536
   72   1HG   PRO  12           HGS      PRO  12  -7.958   0.557 -10.915
   73   2HG   PRO  12           HGR      PRO  12  -9.135   0.551 -12.096
   74   1HD   PRO  12           HDS      PRO  12  -8.553  -1.435 -10.201
   75   2HD   PRO  12           HDR      PRO  12  -9.929  -1.243 -11.099
   76    NH1  ARG  13           NH1      ARG  13  -1.320  -0.292  -9.630
   77    NH2  ARG  13           NH2      ARG  13   0.589  -1.428  -9.049
   78    H    ARG  13           HN       ARG  13  -6.763  -3.309 -10.937
   79    HA   ARG  13           HA       ARG  13  -3.926  -2.916 -11.145
   80   1HB   ARG  13           HBS      ARG  13  -5.479  -3.319  -9.055
   81   2HB   ARG  13           HBR      ARG  13  -5.131  -5.038  -9.398
   82   1HG   ARG  13           HGS      ARG  13  -3.601  -4.165  -7.714
   83   2HG   ARG  13           HGR      ARG  13  -2.719  -4.579  -9.212
   84   1HD   ARG  13           HDS      ARG  13  -3.293  -2.015  -9.720
   85   2HD   ARG  13           HDR      ARG  13  -3.230  -1.959  -7.937
   86    HE   ARG  13           HE       ARG  13  -0.953  -3.337  -8.684
   87   1HH1  ARG  13           HH1      ARG  13  -2.313  -0.261  -9.743
   88   2HH1  ARG  13           HH1      ARG  13  -0.766   0.507  -9.861
   89   1HH2  ARG  13           HH2      ARG  13   1.042  -2.262  -8.730
   90   2HH2  ARG  13           HH2      ARG  13   1.133  -0.622  -9.279
   91    H    CYS  14           HN       CYS  14  -5.966  -5.865 -11.290
   92    HA   CYS  14           HA       CYS  14  -3.639  -7.333 -12.416
   93   1HB   CYS  14           HBR      CYS  14  -4.959  -9.366 -11.969
   94   2HB   CYS  14           HBS      CYS  14  -4.526  -8.433 -10.508
   95    H    GLY  15           HN       GLY  15  -6.750  -5.982 -13.112
   96   1HA   GLY  15           HAS      GLY  15  -6.958  -5.386 -15.514
   97   2HA   GLY  15           HAR      GLY  15  -6.577  -7.088 -15.886
   98    H    GLN  16           HN       GLN  16  -8.145  -8.050 -13.552
   99    HA   GLN  16           HA       GLN  16 -10.553  -8.462 -15.046
  100   1HB   GLN  16           HBR      GLN  16  -9.269  -9.649 -12.724
  101   2HB   GLN  16           HBS      GLN  16 -11.033  -9.479 -12.508
  102   1HG   GLN  16           HGS      GLN  16 -11.114 -11.454 -13.569
  103   2HG   GLN  16           HGR      GLN  16 -10.921 -10.459 -15.038
  104   1HE2  GLN  16           HE2      GLN  16  -7.444 -12.100 -13.553
  105   2HE2  GLN  16           HE2      GLN  16  -8.582 -11.331 -12.498
  106    H    ALA  17           HN       ALA  17 -12.601  -8.621 -13.348
  107    HA   ALA  17           HA       ALA  17 -12.728  -6.289 -11.616
  108   1HB   ALA  17           HMB      ALA  17 -14.668  -6.597 -13.924
  109   2HB   ALA  17           HMB      ALA  17 -14.881  -5.496 -12.539
  110   3HB   ALA  17           HMB      ALA  17 -13.512  -5.269 -13.656
  111    H    VAL  18           HN       VAL  18 -14.398  -6.454 -10.078
  112    HA   VAL  18           HA       VAL  18 -15.047  -9.301  -9.635
  113    HB   VAL  18           HB       VAL  18 -15.019  -7.198  -7.490
  114   1HG1  VAL  18           HMG      VAL  18 -15.284 -10.056  -7.581
  115   2HG1  VAL  18           HMG      VAL  18 -13.844  -9.610  -6.635
  116   3HG1  VAL  18           HMG      VAL  18 -15.436  -8.939  -6.202
  117   1HG2  VAL  18           HMG      VAL  18 -12.643  -8.332  -8.901
  118   2HG2  VAL  18           HMG      VAL  18 -12.916  -6.707  -8.230
  119   3HG2  VAL  18           HMG      VAL  18 -12.566  -8.070  -7.141
  120    OH   TYR  19           OH       TYR  19 -25.182  -9.492  -7.876
  121    H    TYR  19           HN       TYR  19 -16.953  -9.820  -8.366
  122    HA   TYR  19           HA       TYR  19 -19.246  -8.045  -8.964
  123   1HB   TYR  19           HBR      TYR  19 -19.373 -10.437  -9.613
  124   2HB   TYR  19           HBS      TYR  19 -19.216 -10.892  -7.893
  125    HD1  TYR  19           HD2      TYR  19 -21.310  -8.537  -9.935
  126    HD2  TYR  19           HD1      TYR  19 -21.229 -11.478  -6.864
  127    HE1  TYR  19           HE2      TYR  19 -23.729  -8.267  -9.623
  128    HE2  TYR  19           HE1      TYR  19 -23.656 -11.239  -6.563
  129    HH   TYR  19           HH       TYR  19 -25.536 -10.434  -7.459
  130    H    ALA  20           HN       ALA  20 -18.355  -6.523  -7.360
  131    HA   ALA  20           HA       ALA  20 -18.400  -5.499  -5.306
  132   1HB   ALA  20           HMB      ALA  20 -20.857  -6.863  -5.834
  133   2HB   ALA  20           HMB      ALA  20 -20.527  -6.922  -4.083
  134   3HB   ALA  20           HMB      ALA  20 -20.571  -5.354  -4.928
  135    H    ALA  21           HN       ALA  21 -16.971  -8.219  -5.603
  136    HA   ALA  21           HA       ALA  21 -17.407  -9.471  -3.013
  137   1HB   ALA  21           HMB      ALA  21 -16.527 -10.247  -5.622
  138   2HB   ALA  21           HMB      ALA  21 -15.286 -10.712  -4.430
  139   3HB   ALA  21           HMB      ALA  21 -16.967 -11.265  -4.227
  140    H    GLU  22           HN       GLU  22 -14.426  -8.509  -4.776
  141    HA   GLU  22           HA       GLU  22 -13.023  -8.549  -2.138
  142   1HB   GLU  22           HBS      GLU  22 -11.814  -8.733  -4.842
  143   2HB   GLU  22           HBR      GLU  22 -11.089  -9.180  -3.396
  144   1HG   GLU  22           HGS      GLU  22 -13.513 -10.508  -4.666
  145   2HG   GLU  22           HGR      GLU  22 -11.866 -11.163  -4.881
  146    H    LYS  23           HN       LYS  23 -14.531  -6.343  -3.679
  147    HA   LYS  23           HA       LYS  23 -12.454  -4.710  -4.847
  148   1HB   LYS  23           HBS      LYS  23 -14.308  -3.140  -5.332
  149   2HB   LYS  23           HBR      LYS  23 -14.600  -4.801  -5.921
  150   1HG   LYS  23           HGR      LYS  23 -16.581  -4.759  -4.890
  151   2HG   LYS  23           HGS      LYS  23 -15.720  -4.686  -3.326
  152   1HD   LYS  23           HDS      LYS  23 -16.178  -2.538  -2.996
  153   2HD   LYS  23           HDR      LYS  23 -15.853  -2.112  -4.653
  154   1HE   LYS  23           HES      LYS  23 -18.002  -1.953  -5.113
  155   2HE   LYS  23           HER      LYS  23 -18.255  -3.640  -4.582
  156   1HZ   LYS  23           HZA      LYS  23 -18.188  -2.592  -2.273
  157   2HZ   LYS  23           HZB      LYS  23 -18.505  -1.183  -3.034
  158   3HZ   LYS  23           HZC      LYS  23 -19.549  -2.432  -3.162
  159    H    VAL  24           HN       VAL  24 -11.105  -3.704  -3.510
  160    HA   VAL  24           HA       VAL  24 -12.199  -1.947  -1.390
  161    HB   VAL  24           HB       VAL  24  -9.808  -1.321  -1.052
  162   1HG1  VAL  24           HMG      VAL  24 -10.561  -4.230  -0.680
  163   2HG1  VAL  24           HMG      VAL  24  -9.155  -3.444   0.080
  164   3HG1  VAL  24           HMG      VAL  24 -10.802  -2.886   0.462
  165   1HG2  VAL  24           HMG      VAL  24  -9.452  -2.994  -3.401
  166   2HG2  VAL  24           HMG      VAL  24  -8.348  -1.821  -2.643
  167   3HG2  VAL  24           HMG      VAL  24  -8.410  -3.499  -2.050
  168    H    ILE  25           HN       ILE  25 -10.735   0.262  -1.610
  169    HA   ILE  25           HA       ILE  25 -10.771   1.244  -4.401
  170    HB   ILE  25           HB       ILE  25 -13.083   1.470  -3.361
  171   1HG1  ILE  25           HG1      ILE  25 -11.520   3.902  -4.286
  172   2HG1  ILE  25           HG1      ILE  25 -12.473   2.759  -5.273
  173   1HG2  ILE  25           HMG      ILE  25 -11.771   2.379  -1.130
  174   2HG2  ILE  25           HMG      ILE  25 -12.381   3.885  -1.866
  175   3HG2  ILE  25           HMG      ILE  25 -13.513   2.564  -1.471
  176   1HD1  ILE  25           HMD      ILE  25 -13.787   4.430  -3.138
  177   2HD1  ILE  25           HMD      ILE  25 -13.458   5.093  -4.761
  178   3HD1  ILE  25           HMD      ILE  25 -14.506   3.661  -4.579
  179    H    GLY  26           HN       GLY  26  -9.619   3.136  -4.732
  180   1HA   GLY  26           HAR      GLY  26  -8.465   4.535  -2.422
  181   2HA   GLY  26           HAS      GLY  26  -7.287   3.866  -3.583
  182    H    ALA  27           HN       ALA  27  -6.552   5.803  -4.359
  183    HA   ALA  27           HA       ALA  27  -8.203   7.987  -5.024
  184   1HB   ALA  27           HMB      ALA  27  -5.394   7.300  -5.091
  185   2HB   ALA  27           HMB      ALA  27  -5.860   8.239  -6.533
  186   3HB   ALA  27           HMB      ALA  27  -6.184   8.887  -4.906
  187    H    GLY  28           HN       GLY  28  -9.883   7.259  -6.323
  188   1HA   GLY  28           HAS      GLY  28 -11.005   6.766  -8.274
  189   2HA   GLY  28           HAR      GLY  28  -9.564   7.321  -9.165
  190    H    LYS  29           HN       LYS  29  -9.029   4.895  -6.777
  191    HA   LYS  29           HA       LYS  29  -8.783   2.834  -8.900
  192   1HB   LYS  29           HBS      LYS  29  -7.373   3.347  -6.288
  193   2HB   LYS  29           HBR      LYS  29  -7.394   1.712  -7.010
  194   1HG   LYS  29           HGR      LYS  29  -6.614   3.955  -8.815
  195   2HG   LYS  29           HGS      LYS  29  -5.466   3.547  -7.507
  196   1HD   LYS  29           HDS      LYS  29  -4.897   1.578  -8.395
  197   2HD   LYS  29           HDR      LYS  29  -6.519   1.227  -8.926
  198   1HE   LYS  29           HES      LYS  29  -6.265   2.209 -10.962
  199   2HE   LYS  29           HER      LYS  29  -5.050   3.369 -10.357
  200   1HZ   LYS  29           HZB      LYS  29  -3.868   0.982 -10.047
  201   2HZ   LYS  29           HZC      LYS  29  -4.676   0.772 -11.451
  202   3HZ   LYS  29           HZA      LYS  29  -3.613   2.003 -11.296
  203    H    SER  30           HN       SER  30  -9.337   0.669  -8.446
  204    HA   SER  30           HA       SER  30 -10.705   0.071  -5.942
  205   1HB   SER  30           HBR      SER  30 -12.465  -1.241  -7.435
  206   2HB   SER  30           HBS      SER  30 -12.724   0.439  -6.886
  207    HG   SER  30           HG       SER  30 -12.976  -0.440  -9.275
  208    CH2  TRP  31           CH2      TRP  31  -3.680   0.955  -5.853
  209    H    TRP  31           HN       TRP  31  -9.842  -1.699  -5.203
  210    HA   TRP  31           HA       TRP  31  -8.298  -3.354  -7.124
  211   1HB   TRP  31           HBS      TRP  31  -7.523  -3.265  -4.262
  212   2HB   TRP  31           HBR      TRP  31  -6.527  -3.360  -5.740
  213    HD1  TRP  31           HD1      TRP  31  -8.790  -0.578  -4.162
  214    HE1  TRP  31           HE1      TRP  31  -7.518   1.651  -4.314
  215    HE3  TRP  31           HE3      TRP  31  -4.475  -2.322  -6.212
  216    HZ2  TRP  31           HZ2      TRP  31  -4.967   2.506  -5.105
  217    HZ3  TRP  31           HZ3      TRP  31  -2.605  -0.764  -6.506
  218    HH2  TRP  31           HH2      TRP  31  -2.858   1.615  -6.031
  219    H    HIS  32           HN       ZHI  32  -7.775  -5.553  -6.378
  220    HA   HIS  32           HA       ZHI  32 -10.006  -6.917  -5.022
  221   1HB   HIS  32           HBS      ZHI  32  -7.406  -7.946  -6.222
  222   2HB   HIS  32           HBR      ZHI  32  -8.482  -8.954  -5.215
  223    HD2  HIS  32           HD2      ZHI  32 -11.079  -9.358  -6.362
  224    HE1  HIS  32           HE1      ZHI  32  -9.770  -8.606 -10.288
  225    HE2  HIS  32           HE2      ZHI  32 -11.526  -9.743  -8.882
  226    H    LYS  33           HN       LYS  33  -9.773  -7.999  -3.063
  227    HA   LYS  33           HA       LYS  33  -8.290  -6.828  -1.020
  228   1HB   LYS  33           HBS      LYS  33  -9.945  -9.197  -1.341
  229   2HB   LYS  33           HBR      LYS  33  -8.570  -9.499  -0.242
  230   1HG   LYS  33           HGR      LYS  33  -9.341  -8.038   1.351
  231   2HG   LYS  33           HGS      LYS  33 -10.139  -6.980   0.154
  232   1HD   LYS  33           HDS      LYS  33 -11.844  -8.781  -0.181
  233   2HD   LYS  33           HDR      LYS  33 -11.107  -9.653   1.134
  234   1HE   LYS  33           HES      LYS  33 -12.555  -8.607   2.449
  235   2HE   LYS  33           HER      LYS  33 -11.469  -7.201   2.265
  236   1HZ   LYS  33           HZA      LYS  33 -13.767  -7.776   0.525
  237   2HZ   LYS  33           HZB      LYS  33 -13.782  -6.707   1.760
  238   3HZ   LYS  33           HZC      LYS  33 -12.815  -6.450   0.470
  239    H    SER  34           HN       SER  34  -7.240  -8.971  -3.488
  240    HA   SER  34           HA       SER  34  -4.720  -9.491  -2.016
  241   1HB   SER  34           HBR      SER  34  -4.410 -11.251  -3.814
  242   2HB   SER  34           HBS      SER  34  -5.716 -11.517  -2.624
  243    HG   SER  34           HG       SER  34  -5.712 -10.987  -5.408
  244    H    CYS  35           HN       CYS  35  -5.607  -7.040  -3.615
  245    HA   CYS  35           HA       CYS  35  -3.357  -7.016  -5.567
  246   1HB   CYS  35           HBS      CYS  35  -6.237  -6.333  -5.861
  247   2HB   CYS  35           HBR      CYS  35  -5.050  -5.270  -6.670
  248    H    PHE  36           HN       PHE  36  -3.796  -6.041  -2.691
  249    HA   PHE  36           HA       PHE  36  -3.458  -3.114  -3.079
  250   1HB   PHE  36           HBR      PHE  36  -4.683  -4.602  -0.945
  251   2HB   PHE  36           HBS      PHE  36  -3.212  -3.807  -0.312
  252    HD1  PHE  36           HD2      PHE  36  -3.051  -1.220  -1.547
  253    HD2  PHE  36           HD1      PHE  36  -6.568  -3.490  -0.759
  254    HE1  PHE  36           HE2      PHE  36  -4.382   0.865  -1.510
  255    HE2  PHE  36           HE1      PHE  36  -7.904  -1.434  -0.675
  256    HZ   PHE  36           HZ       PHE  36  -6.827   0.737  -1.128
  257    NH1  ARG  37           NH1      ARG  37   3.746  -4.923  -6.060
  258    NH2  ARG  37           NH2      ARG  37   3.307  -5.836  -8.122
  259    H    ARG  37           HN       ARG  37  -1.449  -2.961  -3.883
  260    HA   ARG  37           HA       ARG  37   0.745  -4.396  -2.456
  261   1HB   ARG  37           HBR      ARG  37   2.029  -4.292  -4.523
  262   2HB   ARG  37           HBS      ARG  37   0.508  -5.205  -4.738
  263   1HG   ARG  37           HGS      ARG  37  -0.053  -3.917  -6.459
  264   2HG   ARG  37           HGR      ARG  37   0.047  -2.459  -5.432
  265   1HD   ARG  37           HDS      ARG  37   1.584  -1.969  -7.039
  266   2HD   ARG  37           HDR      ARG  37   2.615  -2.745  -5.803
  267    HE   ARG  37           HE       ARG  37   1.879  -3.832  -8.431
  268   1HH1  ARG  37           HH1      ARG  37   3.608  -4.203  -5.381
  269   2HH1  ARG  37           HH1      ARG  37   4.390  -5.667  -5.876
  270   1HH2  ARG  37           HH2      ARG  37   2.828  -5.811  -8.998
  271   2HH2  ARG  37           HH2      ARG  37   3.955  -6.573  -7.926
  272    H    CYS  38           HN       CYS  38   1.740  -3.056  -1.165
  273    HA   CYS  38           HA       CYS  38   2.161  -0.201  -1.667
  274   1HB   CYS  38           HBS      CYS  38   2.102  -1.233   0.608
  275   2HB   CYS  38           HBR      CYS  38   3.611  -2.097   0.194
  276    H    ALA  39           HN       ALA  39   3.295   0.364  -3.361
  277    HA   ALA  39           HA       ALA  39   5.734  -1.130  -4.098
  278   1HB   ALA  39           HMB      ALA  39   3.858   0.164  -5.593
  279   2HB   ALA  39           HMB      ALA  39   5.125   1.409  -5.459
  280   3HB   ALA  39           HMB      ALA  39   5.522  -0.199  -6.118
  281    H    LYS  40           HN       LYS  40   5.617   0.099  -1.512
  282    HA   LYS  40           HA       LYS  40   7.758   2.152  -1.839
  283   1HB   LYS  40           HBR      LYS  40   5.338   2.680  -0.854
  284   2HB   LYS  40           HBS      LYS  40   6.081   2.020   0.632
  285   1HG   LYS  40           HGR      LYS  40   7.939   3.855  -0.534
  286   2HG   LYS  40           HGS      LYS  40   6.335   4.645  -0.498
  287   1HD   LYS  40           HDS      LYS  40   7.418   5.201   1.516
  288   2HD   LYS  40           HDR      LYS  40   6.115   4.098   1.862
  289   1HE   LYS  40           HES      LYS  40   7.946   3.445   3.210
  290   2HE   LYS  40           HER      LYS  40   7.744   2.227   1.919
  291   1HZ   LYS  40           HZB      LYS  40   9.520   4.362   1.260
  292   2HZ   LYS  40           HZC      LYS  40  10.034   3.451   2.515
  293   3HZ   LYS  40           HZA      LYS  40   9.709   2.750   1.076
  294    H    CYS  41           HN       CYS  41   6.444  -0.363   0.345
  295    HA   CYS  41           HA       CYS  41   9.247  -0.972   1.141
  296   1HB   CYS  41           HBS      CYS  41   8.332  -2.445   2.859
  297   2HB   CYS  41           HBR      CYS  41   7.874  -0.736   3.085
  298    H    GLY  42           HN       GLY  42   6.572  -1.816  -0.822
  299   1HA   GLY  42           HAR      GLY  42   6.935  -2.952  -2.871
  300   2HA   GLY  42           HAS      GLY  42   8.380  -3.732  -2.173
  301    H    LYS  43           HN       LYS  43   5.567  -3.625  -0.177
  302    HA   LYS  43           HA       LYS  43   5.585  -6.573  -0.256
  303   1HB   LYS  43           HBS      LYS  43   6.054  -5.040   1.813
  304   2HB   LYS  43           HBR      LYS  43   4.273  -4.920   1.886
  305   1HG   LYS  43           HGR      LYS  43   4.044  -7.283   2.207
  306   2HG   LYS  43           HGS      LYS  43   5.769  -7.564   1.836
  307   1HD   LYS  43           HDS      LYS  43   5.641  -7.761   4.139
  308   2HD   LYS  43           HDR      LYS  43   6.351  -6.201   3.823
  309   1HE   LYS  43           HES      LYS  43   3.584  -5.736   3.961
  310   2HE   LYS  43           HER      LYS  43   3.995  -6.844   5.301
  311   1HZ   LYS  43           HZC      LYS  43   5.904  -4.802   5.064
  312   2HZ   LYS  43           HZA      LYS  43   4.414  -4.148   5.207
  313   3HZ   LYS  43           HZB      LYS  43   4.962  -5.187   6.341
  314    H    SER  44           HN       SER  44   3.776  -7.821  -0.339
  315    HA   SER  44           HA       SER  44   1.185  -6.700  -1.118
  316   1HB   SER  44           HBR      SER  44   1.920  -9.498  -0.197
  317   2HB   SER  44           HBS      SER  44   0.356  -8.969  -0.880
  318    HG   SER  44           HG       SER  44   1.959 -10.120  -2.262
  319    H    LEU  45           HN       LEU  45  -0.345  -6.047   0.203
  320    HA   LEU  45           HA       LEU  45   0.627  -5.446   2.895
  321   1HB   LEU  45           HBS      LEU  45  -0.916  -4.243   0.796
  322   2HB   LEU  45           HBR      LEU  45  -1.880  -4.254   2.296
  323    HG   LEU  45           HG       LEU  45   0.696  -2.810   1.697
  324   1HD1  LEU  45           HMD      LEU  45  -2.098  -2.202   1.908
  325   2HD1  LEU  45           HMD      LEU  45  -1.208  -1.343   3.190
  326   3HD1  LEU  45           HMD      LEU  45  -0.734  -1.135   1.484
  327   1HD2  LEU  45           HMD      LEU  45  -0.060  -4.045   4.209
  328   2HD2  LEU  45           HMD      LEU  45   1.398  -3.118   3.787
  329   3HD2  LEU  45           HMD      LEU  45  -0.067  -2.269   4.348
  330    H    GLU  46           HN       GLU  46  -1.685  -4.813   4.168
  331    HA   GLU  46           HA       GLU  46  -2.669  -7.544   4.896
  332   1HB   GLU  46           HBS      GLU  46  -0.786  -6.035   6.058
  333   2HB   GLU  46           HBR      GLU  46  -2.096  -5.412   6.902
  334   1HG   GLU  46           HGS      GLU  46  -1.292  -7.183   8.253
  335   2HG   GLU  46           HGR      GLU  46  -2.684  -7.962   7.453
  336    H    SER  47           HN       SER  47  -4.664  -7.185   3.899
  337    HA   SER  47           HA       SER  47  -6.906  -6.829   4.043
  338   1HB   SER  47           HBS      SER  47  -5.867  -6.630   6.808
  339   2HB   SER  47           HBR      SER  47  -7.519  -6.003   6.538
  340    HG   SER  47           HG       SER  47  -7.885  -8.024   5.273
  341    H    THR  48           HN       THR  48  -6.190  -4.321   6.429
  342    HA   THR  48           HA       THR  48  -7.098  -2.221   4.540
  343    HB   THR  48           HB       THR  48  -8.701  -1.514   6.522
  344    HG1  THR  48           HG1      THR  48  -8.411  -4.210   6.704
  345   1HG2  THR  48           HMG      THR  48  -9.182  -3.492   4.365
  346   2HG2  THR  48           HMG      THR  48 -10.422  -3.377   5.642
  347   3HG2  THR  48           HMG      THR  48  -9.968  -1.929   4.707
  348    H    THR  49           HN       THR  49  -4.787  -1.726   4.859
  349    HA   THR  49           HA       THR  49  -4.426   0.181   6.992
  350    HB   THR  49           HB       THR  49  -2.109  -0.977   7.617
  351    HG1  THR  49           HG1      THR  49  -3.862  -2.966   7.015
  352   1HG2  THR  49           HMG      THR  49  -4.534  -0.782   8.938
  353   2HG2  THR  49           HMG      THR  49  -4.113  -2.508   9.079
  354   3HG2  THR  49           HMG      THR  49  -2.969  -1.263   9.642
  355    H    LEU  50           HN       LEU  50  -4.438   1.310   4.924
  356    HA   LEU  50           HA       LEU  50  -1.801   1.288   3.560
  357   1HB   LEU  50           HBR      LEU  50  -3.186   1.253   1.407
  358   2HB   LEU  50           HBS      LEU  50  -2.965  -0.272   2.311
  359    HG   LEU  50           HG       LEU  50  -5.350   0.661   3.302
  360   1HD1  LEU  50           HMD      LEU  50  -4.990   1.549   0.452
  361   2HD1  LEU  50           HMD      LEU  50  -6.582   0.982   1.017
  362   3HD1  LEU  50           HMD      LEU  50  -5.800   2.374   1.807
  363   1HD2  LEU  50           HMD      LEU  50  -4.510  -1.264   1.148
  364   2HD2  LEU  50           HMD      LEU  50  -5.110  -1.590   2.794
  365   3HD2  LEU  50           HMD      LEU  50  -6.236  -1.041   1.528
  366    H    ALA  51           HN       ALA  51  -2.257   2.967   1.546
  367    HA   ALA  51           HA       ALA  51  -3.767   5.274   2.342
  368   1HB   ALA  51           HMB      ALA  51  -0.850   5.204   2.899
  369   2HB   ALA  51           HMB      ALA  51  -1.496   6.678   2.131
  370   3HB   ALA  51           HMB      ALA  51  -2.161   6.118   3.687
  371    H    ASP  52           HN       ASP  52  -4.706   5.199   0.382
  372    HA   ASP  52           HA       ASP  52  -3.108   5.154  -2.017
  373   1HB   ASP  52           HBR      ASP  52  -5.256   5.301  -3.196
  374   2HB   ASP  52           HBS      ASP  52  -5.150   3.959  -2.021
  375    H    LYS  53           HN       LYS  53  -3.107   6.706  -3.684
  376    HA   LYS  53           HA       LYS  53  -4.391   9.155  -3.636
  377   1HB   LYS  53           HBR      LYS  53  -2.171   9.197  -1.833
  378   2HB   LYS  53           HBS      LYS  53  -1.768  10.206  -3.251
  379   1HG   LYS  53           HGR      LYS  53  -3.096  11.852  -2.531
  380   2HG   LYS  53           HGS      LYS  53  -4.483  10.735  -2.383
  381   1HD   LYS  53           HDS      LYS  53  -3.177  10.001  -0.194
  382   2HD   LYS  53           HDR      LYS  53  -2.500  11.599  -0.342
  383   1HE   LYS  53           HES      LYS  53  -4.357  11.805   1.087
  384   2HE   LYS  53           HER      LYS  53  -4.817  12.515  -0.486
  385   1HZ   LYS  53           HZB      LYS  53  -5.845  10.342  -0.979
  386   2HZ   LYS  53           HZC      LYS  53  -5.584   9.883   0.567
  387   3HZ   LYS  53           HZA      LYS  53  -6.564  11.149   0.244
  388    H    ASP  54           HN       ASP  54  -4.121  10.203  -5.536
  389    HA   ASP  54           HA       ASP  54  -3.460  10.613  -7.665
  390   1HB   ASP  54           HBS      ASP  54  -0.645  10.099  -6.768
  391   2HB   ASP  54           HBR      ASP  54  -1.284  11.312  -7.916
  392    H    GLY  55           HN       GLY  55  -3.923   7.756  -6.782
  393   1HA   GLY  55           HAR      GLY  55  -4.516   6.181  -8.456
  394   2HA   GLY  55           HAS      GLY  55  -3.094   6.673  -9.413
  395    H    GLU  56           HN       GLU  56  -1.475   6.637  -6.830
  396    HA   GLU  56           HA       GLU  56  -1.035   3.682  -6.756
  397   1HB   GLU  56           HBR      GLU  56   1.017   5.905  -6.633
  398   2HB   GLU  56           HBS      GLU  56   1.304   4.275  -6.353
  399   1HG   GLU  56           HGS      GLU  56   0.094   4.023  -8.749
  400   2HG   GLU  56           HGR      GLU  56   0.944   5.569  -9.014
  401    H    ILE  57           HN       ILE  57   0.548   3.333  -4.754
  402    HA   ILE  57           HA       ILE  57  -0.796   4.523  -2.391
  403    HB   ILE  57           HB       ILE  57  -1.627   2.302  -1.719
  404   1HG1  ILE  57           HG1      ILE  57  -0.583   1.335  -4.410
  405   2HG1  ILE  57           HG1      ILE  57   0.133   0.976  -2.815
  406   1HG2  ILE  57           HMG      ILE  57  -2.517   3.234  -4.446
  407   2HG2  ILE  57           HMG      ILE  57  -3.334   1.927  -3.549
  408   3HG2  ILE  57           HMG      ILE  57  -3.252   3.568  -2.855
  409   1HD1  ILE  57           HMD      ILE  57  -2.731   0.268  -3.191
  410   2HD1  ILE  57           HMD      ILE  57  -1.530  -0.698  -4.088
  411   3HD1  ILE  57           HMD      ILE  57  -1.435  -0.584  -2.310
  412    OH   TYR  58           OH       TYR  58   1.723   9.441   0.233
  413    H    TYR  58           HN       TYR  58   0.289   4.326  -0.518
  414    HA   TYR  58           HA       TYR  58   2.207   2.130  -0.293
  415   1HB   TYR  58           HBS      TYR  58   3.560   3.665   1.348
  416   2HB   TYR  58           HBR      TYR  58   3.884   3.734  -0.406
  417    HD1  TYR  58           HD1      TYR  58   2.412   5.551   2.466
  418    HD2  TYR  58           HD2      TYR  58   3.226   5.682  -1.706
  419    HE1  TYR  58           HE1      TYR  58   1.771   7.923   2.422
  420    HE2  TYR  58           HE2      TYR  58   2.578   8.048  -1.767
  421    HH   TYR  58           HH       TYR  58   2.430   9.875  -0.472
  422    H    CYS  59           HN       CYS  59   2.676   1.878   2.190
  423    HA   CYS  59           HA       CYS  59  -0.117   1.381   2.893
  424   1HB   CYS  59           HBR      CYS  59   0.461  -0.714   3.611
  425   2HB   CYS  59           HBS      CYS  59   1.333  -0.415   2.089
  426    H    LYS  60           HN       LYS  60  -0.825   0.917   5.026
  427    HA   LYS  60           HA       LYS  60   0.173   2.880   7.010
  428   1HB   LYS  60           HBS      LYS  60  -2.354   2.153   6.542
  429   2HB   LYS  60           HBR      LYS  60  -1.904   0.829   7.655
  430   1HG   LYS  60           HGR      LYS  60  -1.073   2.688   9.236
  431   2HG   LYS  60           HGS      LYS  60  -1.987   3.810   8.188
  432   1HD   LYS  60           HDS      LYS  60  -4.027   2.498   8.578
  433   2HD   LYS  60           HDR      LYS  60  -3.133   1.423   9.616
  434   1HE   LYS  60           HES      LYS  60  -2.536   3.814  10.761
  435   2HE   LYS  60           HER      LYS  60  -4.191   4.092  10.153
  436   1HZ   LYS  60           HZB      LYS  60  -3.477   1.722  11.721
  437   2HZ   LYS  60           HZC      LYS  60  -3.977   3.110  12.422
  438   3HZ   LYS  60           HZA      LYS  60  -4.967   2.309  11.401
  439    H    GLY  61           HN       GLY  61   0.550  -0.358   5.945
  440   1HA   GLY  61           HAR      GLY  61   1.924  -1.481   8.171
  441   2HA   GLY  61           HAS      GLY  61   2.206  -1.847   6.448
  442    H    CYS  62           HN       CYS  62   2.577   1.303   6.305
  443    HA   CYS  62           HA       CYS  62   5.470   1.151   6.819
  444   1HB   CYS  62           HBS      CYS  62   3.696   2.043   4.670
  445   2HB   CYS  62           HBR      CYS  62   4.955   3.243   5.075
  446    OH   TYR  63           OH       TYR  63   2.527  10.909   6.355
  447    H    TYR  63           HN       TYR  63   2.862   3.587   6.694
  448    HA   TYR  63           HA       TYR  63   4.043   5.516   8.395
  449   1HB   TYR  63           HBR      TYR  63   1.429   4.975   7.244
  450   2HB   TYR  63           HBS      TYR  63   1.284   5.526   8.937
  451    HD1  TYR  63           HD1      TYR  63   3.362   7.515   9.249
  452    HD2  TYR  63           HD2      TYR  63   0.968   6.733   5.822
  453    HE1  TYR  63           HE1      TYR  63   3.673   9.837   8.509
  454    HE2  TYR  63           HE2      TYR  63   1.234   9.062   5.094
  455    HH   TYR  63           HH       TYR  63   1.486  11.198   6.223
  456    H    ALA  64           HN       ALA  64   2.909   2.342   9.019
  457    HA   ALA  64           HA       ALA  64   2.986   2.751  11.948
  458   1HB   ALA  64           HMB      ALA  64   2.569   0.291  10.230
  459   2HB   ALA  64           HMB      ALA  64   2.616   0.300  12.011
  460   3HB   ALA  64           HMB      ALA  64   1.339   1.195  11.149
  461    H    LYS  65           HN       LYS  65   4.586   0.535   9.623
  462    HA   LYS  65           HA       LYS  65   6.453  -0.376  11.446
  463   1HB   LYS  65           HBS      LYS  65   5.913  -1.467   9.291
  464   2HB   LYS  65           HBR      LYS  65   6.849  -0.203   8.441
  465   1HG   LYS  65           HGR      LYS  65   8.576  -1.638   8.603
  466   2HG   LYS  65           HGS      LYS  65   8.661  -1.118  10.310
  467   1HD   LYS  65           HDS      LYS  65   8.565  -3.307  10.712
  468   2HD   LYS  65           HDR      LYS  65   6.854  -2.990  10.621
  469   1HE   LYS  65           HES      LYS  65   8.572  -4.108   8.410
  470   2HE   LYS  65           HER      LYS  65   7.354  -4.970   9.391
  471   1HZ   LYS  65           HZB      LYS  65   5.733  -3.364   8.479
  472   2HZ   LYS  65           HZC      LYS  65   6.876  -2.825   7.444
  473   3HZ   LYS  65           HZA      LYS  65   6.366  -4.375   7.364
  474    H    ASN  66           HN       ASN  66   6.424   2.620   9.772
  475    HA   ASN  66           HA       ASN  66   8.983   3.305  11.078
  476   1HB   ASN  66           HBS      ASN  66   9.499   4.619   8.921
  477   2HB   ASN  66           HBR      ASN  66   9.853   2.870   9.028
  478   1HD2  ASN  66           HD2      ASN  66   7.684   1.909   6.458
  479   2HD2  ASN  66           HD2      ASN  66   8.747   1.418   7.736
  480    H    PHE  67           HN       PHE  67   6.710   3.919  12.250
  481    HA   PHE  67           HA       PHE  67   6.215   6.780  11.700
  482   1HB   PHE  67           HBR      PHE  67   4.466   4.991  12.701
  483   2HB   PHE  67           HBS      PHE  67   5.219   5.530  14.230
  484    HD1  PHE  67           HD1      PHE  67   4.021   6.970  11.040
  485    HD2  PHE  67           HD2      PHE  67   4.149   7.396  15.279
  486    HE1  PHE  67           HE1      PHE  67   2.643   8.992  10.858
  487    HE2  PHE  67           HE2      PHE  67   2.803   9.464  15.118
  488    HZ   PHE  67           HZ       PHE  67   2.104  10.288  12.886
  489    H    GLY  68           HN       GLY  68   7.754   4.600  14.044
  490   1HA   GLY  68           HAS      GLY  68   8.954   6.973  15.420
  491   2HA   GLY  68           HAR      GLY  68   8.512   5.457  16.254
  492    HA   PRO  69           HA       PRO  69  12.252   3.487  15.423
  493   1HB   PRO  69           HBR      PRO  69  11.512   1.292  13.961
  494   2HB   PRO  69           HBS      PRO  69  11.773   1.355  15.580
  495   1HG   PRO  69           HGS      PRO  69   9.351   1.255  14.238
  496   2HG   PRO  69           HGR      PRO  69   9.646   0.989  15.859
  497   1HD   PRO  69           HDS      PRO  69   8.434   3.154  14.882
  498   2HD   PRO  69           HDR      PRO  69   9.130   3.064  16.379
  499    H    LYS  70           HN       LYS  70  14.047   3.660  14.307
  500    HA   LYS  70           HA       LYS  70  13.672   4.260  11.418
  501   1HB   LYS  70           HBS      LYS  70  15.510   5.284  13.550
  502   2HB   LYS  70           HBR      LYS  70  16.098   5.217  11.864
  503   1HG   LYS  70           HGR      LYS  70  14.378   6.700  11.114
  504   2HG   LYS  70           HGS      LYS  70  13.507   6.583  12.670
  505   1HD   LYS  70           HDS      LYS  70  15.754   7.525  13.643
  506   2HD   LYS  70           HDR      LYS  70  16.019   8.050  12.003
  507   1HE   LYS  70           HES      LYS  70  15.032   9.873  13.110
  508   2HE   LYS  70           HER      LYS  70  13.779   9.159  12.056
  509   1HZ   LYS  70           HZA      LYS  70  13.249   7.860  14.210
  510   2HZ   LYS  70           HZB      LYS  70  13.980   9.119  14.952
  511   3HZ   LYS  70           HZC      LYS  70  12.676   9.376  14.003
  512    H    GLY  71           HN       GLY  71  15.276   3.585   9.937
  513   1HA   GLY  71           HAR      GLY  71  16.645   1.043  10.615
  514   2HA   GLY  71           HAS      GLY  71  16.459   1.753   8.989
  515    H    PHE  72           HN       PHE  72  18.803   0.861  10.771
  516    HA   PHE  72           HA       PHE  72  20.182   3.230  11.569
  517   1HB   PHE  72           HBR      PHE  72  20.938   0.311  11.436
  518   2HB   PHE  72           HBS      PHE  72  22.209   1.548  11.658
  519    HD1  PHE  72           HD2      PHE  72  19.080   0.161  13.220
  520    HD2  PHE  72           HD1      PHE  72  22.556   2.591  13.636
  521    HE1  PHE  72           HE2      PHE  72  18.627   0.386  15.641
  522    HE2  PHE  72           HE1      PHE  72  22.125   2.832  16.040
  523    HZ   PHE  72           HZ       PHE  72  20.128   1.782  17.034
  524    H    GLY  73           HN       GLY  73  21.716   0.798   9.503
  525   1HA   GLY  73           HAS      GLY  73  21.875   2.307   7.069
  526   2HA   GLY  73           HAR      GLY  73  23.295   2.638   8.097
  527    H    PHE  74           HN       PHE  74  23.595   1.435   5.653
  528    HA   PHE  74           HA       PHE  74  24.492  -1.285   6.471
  529   1HB   PHE  74           HBR      PHE  74  23.906  -0.337   3.631
  530   2HB   PHE  74           HBS      PHE  74  24.629  -1.907   4.087
  531    HD1  PHE  74           HD2      PHE  74  21.531   0.122   4.955
  532    HD2  PHE  74           HD1      PHE  74  23.300  -3.662   4.116
  533    HE1  PHE  74           HE2      PHE  74  19.326  -0.963   5.233
  534    HE2  PHE  74           HE1      PHE  74  21.125  -4.764   4.390
  535    HZ   PHE  74           HZ       PHE  74  19.147  -3.425   5.008
  536    H    GLY  75           HN       GLY  75  26.349  -1.778   4.605
  537   1HA   GLY  75           HAS      GLY  75  28.557  -0.459   5.796
  538   2HA   GLY  75           HAR      GLY  75  28.633  -1.593   4.422
  539    H    GLN  76           HN       GLN  76  30.118  -0.482   3.227
  540    HA   GLN  76           HA       GLN  76  29.331   1.787   1.655
  541   1HB   GLN  76           HBR      GLN  76  29.598   2.985   3.750
  542   2HB   GLN  76           HBS      GLN  76  31.250   2.328   3.934
  543   1HG   GLN  76           HGS      GLN  76  31.189   4.665   3.101
  544   2HG   GLN  76           HGR      GLN  76  32.007   3.525   1.994
  545   1HE2  GLN  76           HE2      GLN  76  30.217   5.063  -0.554
  546   2HE2  GLN  76           HE2      GLN  76  31.751   4.770   0.194
  547    H    GLY  77           HN       GLY  77  32.401   0.791   3.203
  548   1HA   GLY  77           HAS      GLY  77  33.449  -0.903   1.222
  549   2HA   GLY  77           HAR      GLY  77  33.805   0.769   0.708
  550    H    ALA  78           HN       ALA  78  35.606  -1.383   1.598
  551    HA   ALA  78           HA       ALA  78  37.291  -0.008   3.495
  552   1HB   ALA  78           HMB      ALA  78  35.329  -0.816   4.888
  553   2HB   ALA  78           HMB      ALA  78  35.887  -2.472   4.537
  554   3HB   ALA  78           HMB      ALA  78  36.952  -1.338   5.408
  555    H    GLY  79           HN       GLY  79  39.060  -1.481   4.242
  556   1HA   GLY  79           HAR      GLY  79  40.093  -3.667   4.115
  557   2HA   GLY  79           HAS      GLY  79  39.460  -3.836   2.456
  558    H    ALA  80           HN       ALA  80  41.426  -1.498   4.346
  559    HA   ALA  80           HA       ALA  80  43.807  -2.093   2.977
  560   1HB   ALA  80           HMB      ALA  80  42.679  -0.929   1.097
  561   2HB   ALA  80           HMB      ALA  80  42.601   0.543   2.098
  562   3HB   ALA  80           HMB      ALA  80  44.182  -0.138   1.635
  563    H    LEU  81           HN       LEU  81  44.741  -2.082   4.929
  564    HA   LEU  81           HA       LEU  81  44.637   0.103   6.815
  565   1HB   LEU  81           HBR      LEU  81  45.743  -2.528   6.564
  566   2HB   LEU  81           HBS      LEU  81  47.043  -1.395   7.029
  567    HG   LEU  81           HG       LEU  81  44.426  -1.580   8.525
  568   1HD1  LEU  81           HMD      LEU  81  45.502  -3.786   8.555
  569   2HD1  LEU  81           HMD      LEU  81  47.033  -3.037   9.073
  570   3HD1  LEU  81           HMD      LEU  81  45.611  -2.992  10.145
  571   1HD2  LEU  81           HMD      LEU  81  47.159  -0.367   8.944
  572   2HD2  LEU  81           HMD      LEU  81  45.558   0.412   9.018
  573   3HD2  LEU  81           HMD      LEU  81  46.067  -0.699  10.313
  574    H    ILE  82           HN       ILE  82  46.696   1.264   7.395
  575    HA   ILE  82           HA       ILE  82  47.769   2.751   5.170
  576    HB   ILE  82           HB       ILE  82  48.642   2.523   8.091
  577   1HG1  ILE  82           HG1      ILE  82  46.351   3.354   7.737
  578   2HG1  ILE  82           HG1      ILE  82  47.428   4.598   8.433
  579   1HG2  ILE  82           HMG      ILE  82  49.510   4.500   5.973
  580   2HG2  ILE  82           HMG      ILE  82  49.832   4.661   7.720
  581   3HG2  ILE  82           HMG      ILE  82  50.523   3.294   6.808
  582   1HD1  ILE  82           HMD      ILE  82  47.694   5.235   5.851
  583   2HD1  ILE  82           HMD      ILE  82  46.073   4.493   5.782
  584   3HD1  ILE  82           HMD      ILE  82  46.378   5.873   6.871
  585    H    HIS  83           HN       HIS  83  49.137   2.010   3.752
  586    HA   HIS  83           HA       HIS  83  51.669   1.017   4.606
  587   1HB   HIS  83           HBS      HIS  83  51.778  -1.087   3.360
  588   2HB   HIS  83           HBR      HIS  83  50.563  -1.181   4.667
  589    HD1  HIS  83           HD1      HIS  83  48.199  -1.867   3.956
  590    HD2  HIS  83           HD2      HIS  83  50.605  -0.748   0.746
  591    HE1  HIS  83           HE1      HIS  83  46.955  -2.518   1.880
  592    HE2  HIS  83           HE2      HIS  83  48.417  -1.863  -0.066
  593    H    SER  84           HN       SER  84  53.192   0.897   2.869
  594    HA   SER  84           HA       SER  84  52.458   2.771   0.696
  595   1HB   SER  84           HBS      SER  84  55.018   1.979   2.010
  596   2HB   SER  84           HBR      SER  84  55.055   2.466   0.290
  597    HG   SER  84           HG       SER  84  55.285   4.010   2.305
  598    H    GLN  85           HN       GLN  85  54.776   0.068   0.788
  599    HA   GLN  85           HA       GLN  85  53.143  -1.730  -0.639
  600   1HB   GLN  85           HBR      GLN  85  54.377   0.142  -2.370
  601   2HB   GLN  85           HBS      GLN  85  55.237  -1.413  -2.560
  602   1HG   GLN  85           HGS      GLN  85  52.225  -1.152  -2.666
  603   2HG   GLN  85           HGR      GLN  85  53.274  -1.019  -4.106
  604   1HE2  GLN  85           HE2      GLN  85  52.519  -4.618  -2.283
  605   2HE2  GLN  85           HE2      GLN  85  52.180  -3.118  -1.488
   
  Start of MODEL           6
 Raw file had  605 H/Q atoms
  Start of MODEL    6
    1   1H    MET   1           HN       MET   1 -24.743   7.551  -7.205
    2   2H    MET   1           HNB      MET   1 -23.550   8.057  -8.199
    3   3H    MET   1           HNC      MET   1 -24.066   9.021  -6.985
    4    HA   MET   1           HA       MET   1 -26.215   9.223  -7.959
    5   1HB   MET   1           HBR      MET   1 -25.488  10.538  -9.992
    6   2HB   MET   1           HBS      MET   1 -24.711  10.986  -8.448
    7   1HG   MET   1           HGS      MET   1 -22.750   9.539  -9.083
    8   2HG   MET   1           HGR      MET   1 -23.530   9.263 -10.660
    9   1HE   MET   1           HME      MET   1 -22.068   9.968 -12.007
   10   2HE   MET   1           HME      MET   1 -22.502  11.521 -12.767
   11   3HE   MET   1           HME      MET   1 -20.957  11.357 -11.894
   12    H    ALA   2           HN       ALA   2 -27.546   7.687  -8.614
   13    HA   ALA   2           HA       ALA   2 -28.545   6.076  -9.902
   14   1HB   ALA   2           HMB      ALA   2 -28.021   7.668 -11.785
   15   2HB   ALA   2           HMB      ALA   2 -26.538   6.721 -12.069
   16   3HB   ALA   2           HMB      ALA   2 -28.135   5.946 -12.229
   17    H    GLN   3           HN       GLN   3 -27.935   3.984 -11.124
   18    HA   GLN   3           HA       GLN   3 -26.322   2.601  -9.200
   19   1HB   GLN   3           HBR      GLN   3 -28.498   1.832 -10.412
   20   2HB   GLN   3           HBS      GLN   3 -27.365   1.256 -11.668
   21   1HG   GLN   3           HGS      GLN   3 -27.831  -0.568 -10.200
   22   2HG   GLN   3           HGR      GLN   3 -26.158  -0.021  -9.894
   23   1HE2  GLN   3           HE2      GLN   3 -28.905  -0.183  -6.959
   24   2HE2  GLN   3           HE2      GLN   3 -29.179  -0.760  -8.569
   25    H    LYS   4           HN       LYS   4 -24.214   3.020  -9.321
   26    HA   LYS   4           HA       LYS   4 -22.708   1.332 -10.945
   27   1HB   LYS   4           HBS      LYS   4 -23.189   3.926 -12.197
   28   2HB   LYS   4           HBR      LYS   4 -21.452   3.616 -11.919
   29   1HG   LYS   4           HGR      LYS   4 -22.255   1.216 -12.958
   30   2HG   LYS   4           HGS      LYS   4 -23.349   2.344 -13.810
   31   1HD   LYS   4           HDS      LYS   4 -21.626   3.487 -14.832
   32   2HD   LYS   4           HDR      LYS   4 -20.448   2.978 -13.653
   33   1HE   LYS   4           HES      LYS   4 -19.761   1.464 -15.107
   34   2HE   LYS   4           HER      LYS   4 -21.282   0.594 -14.757
   35   1HZ   LYS   4           HZC      LYS   4 -21.466   2.719 -16.680
   36   2HZ   LYS   4           HZA      LYS   4 -20.592   1.426 -17.159
   37   3HZ   LYS   4           HZB      LYS   4 -22.145   1.235 -16.692
   38    H    VAL   5           HN       VAL   5 -20.381   1.598 -10.615
   39    HA   VAL   5           HA       VAL   5 -18.518   2.039  -9.392
   40    HB   VAL   5           HB       VAL   5 -19.837   4.665  -8.703
   41   1HG1  VAL   5           HMG      VAL   5 -16.936   3.907  -9.139
   42   2HG1  VAL   5           HMG      VAL   5 -17.544   5.554  -8.842
   43   3HG1  VAL   5           HMG      VAL   5 -17.718   4.302  -7.588
   44   1HG2  VAL   5           HMG      VAL   5 -19.260   3.602 -11.324
   45   2HG2  VAL   5           HMG      VAL   5 -20.051   5.127 -10.856
   46   3HG2  VAL   5           HMG      VAL   5 -18.277   5.050 -10.995
   47    H    GLY   6           HN       GLY   6 -21.054   0.921  -8.136
   48   1HA   GLY   6           HAS      GLY   6 -19.781   0.633  -5.523
   49   2HA   GLY   6           HAR      GLY   6 -21.435   1.299  -5.460
   50    H    GLY   7           HN       GLY   7 -21.441  -0.877  -4.198
   51   1HA   GLY   7           HAR      GLY   7 -22.139  -3.065  -3.995
   52   2HA   GLY   7           HAS      GLY   7 -22.813  -2.953  -5.643
   53    H    SER   8           HN       SER   8 -21.755  -3.868  -7.299
   54    HA   SER   8           HA       SER   8 -19.351  -5.433  -6.948
   55   1HB   SER   8           HBR      SER   8 -19.408  -5.357  -9.527
   56   2HB   SER   8           HBS      SER   8 -20.696  -6.226  -8.645
   57    HG   SER   8           HG       SER   8 -21.871  -5.170 -10.007
   58    H    ASP   9           HN       ASP   9 -17.385  -5.027  -8.201
   59    HA   ASP   9           HA       ASP   9 -16.755  -2.484  -9.152
   60   1HB   ASP   9           HBR      ASP   9 -16.745  -2.365  -6.419
   61   2HB   ASP   9           HBS      ASP   9 -15.025  -2.658  -6.808
   62    H    GLY  10           HN       GLY  10 -14.590  -2.314  -9.926
   63   1HA   GLY  10           HAR      GLY  10 -13.704  -5.065 -10.658
   64   2HA   GLY  10           HAS      GLY  10 -13.873  -3.690 -11.782
   65    H    CYS  11           HN       CYS  11 -11.560  -5.045 -11.832
   66    HA   CYS  11           HA       CYS  11  -9.621  -3.532 -10.165
   67   1HB   CYS  11           HBS      CYS  11 -10.160  -6.005  -9.731
   68   2HB   CYS  11           HBR      CYS  11  -9.289  -6.319 -11.258
   69    HA   PRO  12           HA       PRO  12  -7.967  -2.284 -14.124
   70   1HB   PRO  12           HBR      PRO  12  -6.425  -0.472 -12.711
   71   2HB   PRO  12           HBS      PRO  12  -7.628  -0.145 -13.777
   72   1HG   PRO  12           HGS      PRO  12  -7.748   0.264 -11.149
   73   2HG   PRO  12           HGR      PRO  12  -9.057   0.275 -12.184
   74   1HD   PRO  12           HDS      PRO  12  -8.276  -1.724 -10.365
   75   2HD   PRO  12           HDR      PRO  12  -9.764  -1.474 -11.044
   76    NH1  ARG  13           NH1      ARG  13   0.582  -5.317  -9.197
   77    NH2  ARG  13           NH2      ARG  13   1.277  -3.800 -10.776
   78    H    ARG  13           HN       ARG  13  -6.709  -3.770 -11.474
   79    HA   ARG  13           HA       ARG  13  -3.940  -3.579 -12.255
   80   1HB   ARG  13           HBR      ARG  13  -5.430  -4.312  -9.924
   81   2HB   ARG  13           HBS      ARG  13  -4.317  -5.649 -10.333
   82   1HG   ARG  13           HGS      ARG  13  -3.145  -2.928 -10.412
   83   2HG   ARG  13           HGR      ARG  13  -3.649  -3.510  -8.801
   84   1HD   ARG  13           HDS      ARG  13  -1.921  -4.871  -8.674
   85   2HD   ARG  13           HDR      ARG  13  -2.292  -5.584 -10.269
   86    HE   ARG  13           HE       ARG  13  -1.120  -3.168 -10.866
   87   1HH1  ARG  13           HH1      ARG  13  -0.149  -5.747  -8.667
   88   2HH1  ARG  13           HH1      ARG  13   1.532  -5.590  -9.052
   89   1HH2  ARG  13           HH2      ARG  13   1.072  -3.081 -11.440
   90   2HH2  ARG  13           HH2      ARG  13   2.224  -4.082 -10.619
   91    H    CYS  14           HN       CYS  14  -6.136  -6.386 -11.815
   92    HA   CYS  14           HA       CYS  14  -4.232  -8.060 -13.347
   93   1HB   CYS  14           HBS      CYS  14  -5.679  -9.937 -12.675
   94   2HB   CYS  14           HBR      CYS  14  -4.938  -9.055 -11.310
   95    H    GLY  15           HN       GLY  15  -7.226  -6.350 -13.602
   96   1HA   GLY  15           HAR      GLY  15  -8.056  -5.890 -15.844
   97   2HA   GLY  15           HAS      GLY  15  -7.717  -7.588 -16.274
   98    H    GLN  16           HN       GLN  16  -8.717  -8.537 -13.633
   99    HA   GLN  16           HA       GLN  16 -11.327  -9.198 -14.547
  100   1HB   GLN  16           HBS      GLN  16  -9.599 -10.237 -12.667
  101   2HB   GLN  16           HBR      GLN  16 -10.935  -9.580 -11.679
  102   1HG   GLN  16           HGS      GLN  16 -11.395 -11.883 -12.187
  103   2HG   GLN  16           HGR      GLN  16 -12.539 -10.846 -13.086
  104   1HE2  GLN  16           HE2      GLN  16 -11.812 -13.106 -15.683
  105   2HE2  GLN  16           HE2      GLN  16 -12.915 -12.690 -14.414
  106    H    ALA  17           HN       ALA  17 -13.347  -8.715 -13.706
  107    HA   ALA  17           HA       ALA  17 -13.482  -6.360 -11.887
  108   1HB   ALA  17           HMB      ALA  17 -14.360  -5.972 -14.243
  109   2HB   ALA  17           HMB      ALA  17 -15.649  -7.135 -13.844
  110   3HB   ALA  17           HMB      ALA  17 -15.479  -5.635 -12.897
  111    H    VAL  18           HN       VAL  18 -14.791  -6.552 -10.144
  112    HA   VAL  18           HA       VAL  18 -15.211  -9.376  -9.444
  113    HB   VAL  18           HB       VAL  18 -15.064  -7.066  -7.517
  114   1HG1  VAL  18           HMG      VAL  18 -15.108  -9.968  -7.299
  115   2HG1  VAL  18           HMG      VAL  18 -13.711  -9.245  -6.465
  116   3HG1  VAL  18           HMG      VAL  18 -15.361  -8.714  -6.061
  117   1HG2  VAL  18           HMG      VAL  18 -12.846  -8.273  -9.105
  118   2HG2  VAL  18           HMG      VAL  18 -13.086  -6.602  -8.542
  119   3HG2  VAL  18           HMG      VAL  18 -12.548  -7.857  -7.399
  120    OH   TYR  19           OH       TYR  19 -16.927 -14.981 -10.895
  121    H    TYR  19           HN       TYR  19 -17.015 -10.231  -8.655
  122    HA   TYR  19           HA       TYR  19 -19.373  -8.434  -8.328
  123   1HB   TYR  19           HBS      TYR  19 -20.681 -10.589  -8.880
  124   2HB   TYR  19           HBR      TYR  19 -19.923  -9.672 -10.213
  125    HD1  TYR  19           HD2      TYR  19 -19.431 -12.634  -8.001
  126    HD2  TYR  19           HD1      TYR  19 -18.448 -10.782 -11.701
  127    HE1  TYR  19           HE2      TYR  19 -18.219 -14.657  -8.682
  128    HE2  TYR  19           HE1      TYR  19 -17.257 -12.812 -12.407
  129    HH   TYR  19           HH       TYR  19 -16.204 -14.623 -11.625
  130    H    ALA  20           HN       ALA  20 -17.658 -11.349  -7.249
  131    HA   ALA  20           HA       ALA  20 -19.169 -11.806  -4.846
  132   1HB   ALA  20           HMB      ALA  20 -17.447 -13.318  -6.004
  133   2HB   ALA  20           HMB      ALA  20 -16.219 -12.322  -5.182
  134   3HB   ALA  20           HMB      ALA  20 -17.425 -13.219  -4.224
  135    H    ALA  21           HN       ALA  21 -17.046  -9.328  -5.905
  136    HA   ALA  21           HA       ALA  21 -16.449  -7.340  -4.925
  137   1HB   ALA  21           HMB      ALA  21 -18.779  -7.529  -3.881
  138   2HB   ALA  21           HMB      ALA  21 -17.944  -8.139  -2.430
  139   3HB   ALA  21           HMB      ALA  21 -17.573  -6.511  -3.053
  140    H    GLU  22           HN       GLU  22 -14.323  -7.818  -4.843
  141    HA   GLU  22           HA       GLU  22 -13.332  -8.526  -2.127
  142   1HB   GLU  22           HBR      GLU  22 -12.825  -9.982  -4.392
  143   2HB   GLU  22           HBS      GLU  22 -11.627  -8.812  -4.504
  144   1HG   GLU  22           HGR      GLU  22 -10.297 -10.163  -3.212
  145   2HG   GLU  22           HGS      GLU  22 -11.269  -9.424  -1.911
  146    H    LYS  23           HN       LYS  23 -14.279  -6.047  -3.409
  147    HA   LYS  23           HA       LYS  23 -11.951  -4.723  -4.518
  148   1HB   LYS  23           HBR      LYS  23 -13.499  -2.911  -5.043
  149   2HB   LYS  23           HBS      LYS  23 -14.138  -4.494  -5.572
  150   1HG   LYS  23           HGR      LYS  23 -16.053  -3.786  -4.606
  151   2HG   LYS  23           HGS      LYS  23 -15.257  -4.279  -3.084
  152   1HD   LYS  23           HDS      LYS  23 -15.066  -2.204  -2.340
  153   2HD   LYS  23           HDR      LYS  23 -14.494  -1.611  -3.875
  154   1HE   LYS  23           HES      LYS  23 -17.353  -2.273  -3.860
  155   2HE   LYS  23           HER      LYS  23 -16.863  -0.958  -2.754
  156   1HZ   LYS  23           HZA      LYS  23 -15.585  -0.600  -5.188
  157   2HZ   LYS  23           HZB      LYS  23 -17.167  -0.851  -5.503
  158   3HZ   LYS  23           HZC      LYS  23 -16.717   0.348  -4.490
  159    H    VAL  24           HN       VAL  24 -10.651  -3.331  -3.566
  160    HA   VAL  24           HA       VAL  24 -11.597  -1.830  -1.182
  161    HB   VAL  24           HB       VAL  24  -9.230  -1.004  -1.083
  162   1HG1  VAL  24           HMG      VAL  24 -10.311  -3.076   0.175
  163   2HG1  VAL  24           HMG      VAL  24  -9.066  -3.961  -0.739
  164   3HG1  VAL  24           HMG      VAL  24  -8.594  -2.643   0.360
  165   1HG2  VAL  24           HMG      VAL  24  -9.003  -2.436  -3.529
  166   2HG2  VAL  24           HMG      VAL  24  -7.779  -1.461  -2.681
  167   3HG2  VAL  24           HMG      VAL  24  -7.927  -3.201  -2.334
  168    H    ILE  25           HN       ILE  25 -10.564   0.520  -1.373
  169    HA   ILE  25           HA       ILE  25 -10.480   1.488  -4.151
  170    HB   ILE  25           HB       ILE  25 -11.927   3.448  -3.606
  171   1HG1  ILE  25           HG1      ILE  25 -11.529   3.220  -1.114
  172   2HG1  ILE  25           HG1      ILE  25 -13.192   3.639  -1.618
  173   1HG2  ILE  25           HMG      ILE  25 -12.910   0.693  -3.840
  174   2HG2  ILE  25           HMG      ILE  25 -14.105   1.849  -3.196
  175   3HG2  ILE  25           HMG      ILE  25 -13.326   2.156  -4.771
  176   1HD1  ILE  25           HMD      ILE  25 -13.824   1.248  -1.328
  177   2HD1  ILE  25           HMD      ILE  25 -12.188   0.932  -0.691
  178   3HD1  ILE  25           HMD      ILE  25 -13.286   2.037   0.179
  179    H    GLY  26           HN       GLY  26  -9.318   3.403  -4.405
  180   1HA   GLY  26           HAR      GLY  26  -8.524   5.101  -2.303
  181   2HA   GLY  26           HAS      GLY  26  -7.160   3.998  -2.631
  182    H    ALA  27           HN       ALA  27  -7.775   6.966  -3.134
  183    HA   ALA  27           HA       ALA  27  -7.180   8.559  -4.666
  184   1HB   ALA  27           HMB      ALA  27  -5.442   6.243  -5.050
  185   2HB   ALA  27           HMB      ALA  27  -5.591   7.255  -6.510
  186   3HB   ALA  27           HMB      ALA  27  -5.056   7.982  -4.973
  187    H    GLY  28           HN       GLY  28  -9.495   6.619  -5.201
  188   1HA   GLY  28           HAS      GLY  28 -11.134   6.932  -6.937
  189   2HA   GLY  28           HAR      GLY  28  -9.812   7.186  -8.107
  190    H    LYS  29           HN       LYS  29  -8.205   4.967  -7.050
  191    HA   LYS  29           HA       LYS  29  -8.992   3.092  -8.977
  192   1HB   LYS  29           HBR      LYS  29  -6.936   3.240  -6.857
  193   2HB   LYS  29           HBS      LYS  29  -7.420   1.588  -7.335
  194   1HG   LYS  29           HGR      LYS  29  -6.924   2.154  -9.701
  195   2HG   LYS  29           HGS      LYS  29  -6.374   3.772  -9.179
  196   1HD   LYS  29           HDS      LYS  29  -4.354   2.952  -8.960
  197   2HD   LYS  29           HDR      LYS  29  -4.946   2.113  -7.552
  198   1HE   LYS  29           HES      LYS  29  -3.714   0.674  -9.168
  199   2HE   LYS  29           HER      LYS  29  -5.359   0.123  -8.743
  200   1HZ   LYS  29           HZC      LYS  29  -5.420   1.811 -10.981
  201   2HZ   LYS  29           HZA      LYS  29  -4.369   0.590 -11.247
  202   3HZ   LYS  29           HZB      LYS  29  -5.918   0.261 -10.847
  203    H    SER  30           HN       SER  30  -9.392   0.768  -8.615
  204    HA   SER  30           HA       SER  30 -10.536   0.061  -6.009
  205   1HB   SER  30           HBR      SER  30 -12.059  -1.185  -8.180
  206   2HB   SER  30           HBS      SER  30 -12.598  -0.467  -6.635
  207    HG   SER  30           HG       SER  30 -13.324   1.132  -7.631
  208    CH2  TRP  31           CH2      TRP  31  -3.263   0.902  -5.079
  209    H    TRP  31           HN       TRP  31  -9.745  -1.791  -5.328
  210    HA   TRP  31           HA       TRP  31  -8.062  -3.304  -7.264
  211   1HB   TRP  31           HBS      TRP  31  -7.228  -3.198  -4.420
  212   2HB   TRP  31           HBR      TRP  31  -6.261  -3.273  -5.919
  213    HD1  TRP  31           HD1      TRP  31  -8.692  -0.430  -4.799
  214    HE1  TRP  31           HE1      TRP  31  -7.345   1.753  -4.641
  215    HE3  TRP  31           HE3      TRP  31  -4.039  -2.383  -5.419
  216    HZ2  TRP  31           HZ2      TRP  31  -4.647   2.512  -4.742
  217    HZ3  TRP  31           HZ3      TRP  31  -2.110  -0.878  -5.293
  218    HH2  TRP  31           HH2      TRP  31  -2.399   1.530  -5.034
  219    H    HIS  32           HN       ZHI  32  -7.631  -5.488  -6.763
  220    HA   HIS  32           HA       ZHI  32  -9.497  -6.887  -4.953
  221   1HB   HIS  32           HBS      ZHI  32  -7.158  -7.910  -6.622
  222   2HB   HIS  32           HBR      ZHI  32  -8.090  -8.911  -5.471
  223    HD2  HIS  32           HD2      ZHI  32 -10.971  -8.891  -6.182
  224    HE1  HIS  32           HE1      ZHI  32  -9.950  -9.055 -10.264
  225    HE2  HIS  32           HE2      ZHI  32 -11.730  -9.577  -8.560
  226    H    LYS  33           HN       LYS  33  -8.836  -7.826  -3.037
  227    HA   LYS  33           HA       LYS  33  -6.813  -6.793  -1.468
  228   1HB   LYS  33           HBS      LYS  33  -6.980  -8.763  -0.078
  229   2HB   LYS  33           HBR      LYS  33  -8.602  -8.245  -0.621
  230   1HG   LYS  33           HGR      LYS  33  -8.077 -10.051  -2.544
  231   2HG   LYS  33           HGS      LYS  33  -7.064 -10.734  -1.239
  232   1HD   LYS  33           HDS      LYS  33  -9.953 -10.008  -0.809
  233   2HD   LYS  33           HDR      LYS  33  -9.478 -11.531  -1.509
  234   1HE   LYS  33           HES      LYS  33  -8.139 -12.079   0.451
  235   2HE   LYS  33           HER      LYS  33  -8.587 -10.508   1.175
  236   1HZ   LYS  33           HZA      LYS  33 -10.953 -11.529   0.597
  237   2HZ   LYS  33           HZB      LYS  33 -10.138 -12.907   0.918
  238   3HZ   LYS  33           HZC      LYS  33 -10.217 -11.725   2.041
  239    H    SER  34           HN       SER  34  -6.511  -8.892  -4.169
  240    HA   SER  34           HA       SER  34  -3.700  -9.493  -3.425
  241   1HB   SER  34           HBR      SER  34  -5.590 -11.301  -3.817
  242   2HB   SER  34           HBS      SER  34  -5.158 -11.027  -5.529
  243    HG   SER  34           HG       SER  34  -3.223 -11.780  -5.345
  244    H    CYS  35           HN       CYS  35  -4.956  -7.116  -4.902
  245    HA   CYS  35           HA       CYS  35  -2.709  -7.081  -6.805
  246   1HB   CYS  35           HBS      CYS  35  -5.430  -5.898  -7.419
  247   2HB   CYS  35           HBR      CYS  35  -3.935  -5.643  -8.365
  248    H    PHE  36           HN       PHE  36  -3.013  -6.352  -4.046
  249    HA   PHE  36           HA       PHE  36  -3.058  -3.380  -4.172
  250   1HB   PHE  36           HBR      PHE  36  -5.028  -4.452  -3.010
  251   2HB   PHE  36           HBS      PHE  36  -3.885  -5.126  -1.812
  252    HD1  PHE  36           HD2      PHE  36  -2.201  -3.128  -0.828
  253    HD2  PHE  36           HD1      PHE  36  -6.103  -2.613  -2.452
  254    HE1  PHE  36           HE2      PHE  36  -2.600  -1.260   0.745
  255    HE2  PHE  36           HE1      PHE  36  -6.519  -0.743  -0.916
  256    HZ   PHE  36           HZ       PHE  36  -4.827  -0.165   0.786
  257    NH1  ARG  37           NH1      ARG  37   3.634  -6.573  -7.367
  258    NH2  ARG  37           NH2      ARG  37   4.108  -4.623  -8.485
  259    H    ARG  37           HN       ARG  37  -0.957  -2.865  -4.215
  260    HA   ARG  37           HA       ARG  37   0.858  -4.175  -2.244
  261   1HB   ARG  37           HBS      ARG  37   1.161  -5.054  -4.512
  262   2HB   ARG  37           HBR      ARG  37   1.413  -3.395  -5.126
  263   1HG   ARG  37           HGS      ARG  37   3.512  -3.210  -4.149
  264   2HG   ARG  37           HGR      ARG  37   3.185  -4.499  -2.955
  265   1HD   ARG  37           HDS      ARG  37   4.596  -5.554  -4.412
  266   2HD   ARG  37           HDR      ARG  37   2.993  -6.015  -5.052
  267    HE   ARG  37           HE       ARG  37   4.389  -3.676  -6.210
  268   1HH1  ARG  37           HH1      ARG  37   3.501  -7.074  -6.512
  269   2HH1  ARG  37           HH1      ARG  37   3.562  -7.049  -8.242
  270   1HH2  ARG  37           HH2      ARG  37   4.332  -3.649  -8.477
  271   2HH2  ARG  37           HH2      ARG  37   4.032  -5.112  -9.355
  272    H    CYS  38           HN       CYS  38   1.803  -2.838  -0.909
  273    HA   CYS  38           HA       CYS  38   2.155  -0.026  -1.187
  274   1HB   CYS  38           HBS      CYS  38   2.423  -1.442   0.893
  275   2HB   CYS  38           HBR      CYS  38   4.025  -1.907   0.249
  276    H    ALA  39           HN       ALA  39   2.958   0.778  -2.992
  277    HA   ALA  39           HA       ALA  39   5.207  -0.156  -4.417
  278   1HB   ALA  39           HMB      ALA  39   3.390   1.886  -4.677
  279   2HB   ALA  39           HMB      ALA  39   4.906   2.759  -4.334
  280   3HB   ALA  39           HMB      ALA  39   4.823   1.621  -5.703
  281    H    LYS  40           HN       LYS  40   5.003   1.225  -1.301
  282    HA   LYS  40           HA       LYS  40   7.447   2.845  -1.404
  283   1HB   LYS  40           HBR      LYS  40   5.212   2.790   0.263
  284   2HB   LYS  40           HBS      LYS  40   6.521   2.086   1.255
  285   1HG   LYS  40           HGR      LYS  40   6.742   4.736  -0.220
  286   2HG   LYS  40           HGS      LYS  40   6.249   4.576   1.490
  287   1HD   LYS  40           HDS      LYS  40   8.314   4.025   2.212
  288   2HD   LYS  40           HDR      LYS  40   8.738   3.207   0.734
  289   1HE   LYS  40           HES      LYS  40   9.623   5.028  -0.227
  290   2HE   LYS  40           HER      LYS  40   8.377   6.106   0.462
  291   1HZ   LYS  40           HZB      LYS  40  10.106   5.021   2.426
  292   2HZ   LYS  40           HZC      LYS  40  10.925   5.887   1.311
  293   3HZ   LYS  40           HZA      LYS  40   9.701   6.578   2.143
  294    H    CYS  41           HN       CYS  41   6.441   0.118   0.701
  295    HA   CYS  41           HA       CYS  41   9.314  -0.360   1.189
  296   1HB   CYS  41           HBS      CYS  41   8.658  -1.691   3.077
  297   2HB   CYS  41           HBR      CYS  41   7.936  -0.062   3.136
  298    H    GLY  42           HN       GLY  42   6.651  -1.667  -0.558
  299   1HA   GLY  42           HAR      GLY  42   6.993  -3.034  -2.456
  300   2HA   GLY  42           HAS      GLY  42   8.552  -3.574  -1.776
  301    H    LYS  43           HN       LYS  43   5.830  -3.467   0.362
  302    HA   LYS  43           HA       LYS  43   5.548  -6.431   0.234
  303   1HB   LYS  43           HBS      LYS  43   5.377  -4.454   2.415
  304   2HB   LYS  43           HBR      LYS  43   4.027  -5.623   2.361
  305   1HG   LYS  43           HGR      LYS  43   5.404  -6.925   3.590
  306   2HG   LYS  43           HGS      LYS  43   6.184  -7.277   2.021
  307   1HD   LYS  43           HDS      LYS  43   7.319  -4.875   2.958
  308   2HD   LYS  43           HDR      LYS  43   7.213  -5.927   4.342
  309   1HE   LYS  43           HES      LYS  43   8.154  -7.575   2.293
  310   2HE   LYS  43           HER      LYS  43   9.021  -6.023   2.121
  311   1HZ   LYS  43           HZA      LYS  43   9.304  -6.287   4.639
  312   2HZ   LYS  43           HZB      LYS  43   9.005  -7.869   4.372
  313   3HZ   LYS  43           HZC      LYS  43  10.271  -7.142   3.639
  314    H    SER  44           HN       SER  44   3.781  -7.259  -0.604
  315    HA   SER  44           HA       SER  44   1.467  -5.586  -1.307
  316   1HB   SER  44           HBR      SER  44   0.571  -7.479  -2.380
  317   2HB   SER  44           HBS      SER  44   2.316  -7.461  -2.766
  318    HG   SER  44           HG       SER  44   1.134  -9.521  -2.142
  319    H    LEU  45           HN       LEU  45  -0.240  -5.311  -0.085
  320    HA   LEU  45           HA       LEU  45  -0.982  -7.224   1.934
  321   1HB   LEU  45           HBR      LEU  45  -0.989  -5.416   3.758
  322   2HB   LEU  45           HBS      LEU  45   0.543  -6.242   3.356
  323    HG   LEU  45           HG       LEU  45   1.200  -4.246   2.018
  324   1HD1  LEU  45           HMD      LEU  45  -1.185  -3.432   1.721
  325   2HD1  LEU  45           HMD      LEU  45  -1.110  -2.874   3.412
  326   3HD1  LEU  45           HMD      LEU  45   0.010  -2.202   2.201
  327   1HD2  LEU  45           HMD      LEU  45   1.161  -4.709   4.790
  328   2HD2  LEU  45           HMD      LEU  45   2.242  -3.617   3.889
  329   3HD2  LEU  45           HMD      LEU  45   0.728  -2.992   4.591
  330    H    GLU  46           HN       GLU  46  -2.824  -5.901   3.338
  331    HA   GLU  46           HA       GLU  46  -4.156  -3.815   1.961
  332   1HB   GLU  46           HBS      GLU  46  -6.273  -5.134   1.675
  333   2HB   GLU  46           HBR      GLU  46  -5.139  -5.185   0.440
  334   1HG   GLU  46           HGS      GLU  46  -5.247  -7.447   0.560
  335   2HG   GLU  46           HGR      GLU  46  -4.472  -7.401   2.166
  336    H    SER  47           HN       SER  47  -3.590  -3.224   4.177
  337    HA   SER  47           HA       SER  47  -5.086  -4.619   6.320
  338   1HB   SER  47           HBS      SER  47  -3.173  -2.480   7.026
  339   2HB   SER  47           HBR      SER  47  -3.442  -4.091   7.753
  340    HG   SER  47           HG       SER  47  -1.855  -3.177   5.544
  341    H    THR  48           HN       THR  48  -5.100  -2.570   8.188
  342    HA   THR  48           HA       THR  48  -7.654  -1.539   7.528
  343    HB   THR  48           HB       THR  48  -6.918  -2.146   9.852
  344    HG1  THR  48           HG1      THR  48  -7.582   0.449   9.396
  345   1HG2  THR  48           HMG      THR  48  -4.667  -1.039   9.757
  346   2HG2  THR  48           HMG      THR  48  -5.501   0.524   9.953
  347   3HG2  THR  48           HMG      THR  48  -5.620  -0.714  11.228
  348    H    THR  49           HN       THR  49  -4.508  -0.344   6.918
  349    HA   THR  49           HA       THR  49  -5.647   2.292   6.125
  350    HB   THR  49           HB       THR  49  -2.838   2.086   7.262
  351    HG1  THR  49           HG1      THR  49  -3.441   2.134   9.072
  352   1HG2  THR  49           HMG      THR  49  -3.925   4.210   6.266
  353   2HG2  THR  49           HMG      THR  49  -4.849   4.262   7.790
  354   3HG2  THR  49           HMG      THR  49  -3.069   4.332   7.825
  355    H    LEU  50           HN       LEU  50  -5.026   3.098   4.242
  356    HA   LEU  50           HA       LEU  50  -2.417   2.318   3.166
  357   1HB   LEU  50           HBS      LEU  50  -3.104   1.676   1.068
  358   2HB   LEU  50           HBR      LEU  50  -4.303   0.900   2.138
  359    HG   LEU  50           HG       LEU  50  -5.236   3.491   1.234
  360   1HD1  LEU  50           HMD      LEU  50  -3.952   1.702  -0.742
  361   2HD1  LEU  50           HMD      LEU  50  -5.607   2.226  -1.142
  362   3HD1  LEU  50           HMD      LEU  50  -4.339   3.439  -0.837
  363   1HD2  LEU  50           HMD      LEU  50  -6.132   0.857   1.842
  364   2HD2  LEU  50           HMD      LEU  50  -7.105   2.320   1.543
  365   3HD2  LEU  50           HMD      LEU  50  -6.672   1.246   0.189
  366    H    ALA  51           HN       ALA  51  -1.865   3.847   1.304
  367    HA   ALA  51           HA       ALA  51  -2.814   6.566   2.007
  368   1HB   ALA  51           HMB      ALA  51  -0.055   5.469   2.359
  369   2HB   ALA  51           HMB      ALA  51  -0.252   7.149   1.797
  370   3HB   ALA  51           HMB      ALA  51  -0.969   6.638   3.346
  371    H    ASP  52           HN       ASP  52  -3.899   6.087  -0.049
  372    HA   ASP  52           HA       ASP  52  -2.399   5.656  -2.415
  373   1HB   ASP  52           HBR      ASP  52  -4.405   5.908  -3.614
  374   2HB   ASP  52           HBS      ASP  52  -4.774   5.052  -2.090
  375    H    LYS  53           HN       LYS  53  -1.982   6.999  -4.169
  376    HA   LYS  53           HA       LYS  53  -2.728   9.653  -4.415
  377   1HB   LYS  53           HBR      LYS  53  -0.998   9.715  -2.379
  378   2HB   LYS  53           HBS      LYS  53   0.176   9.757  -3.726
  379   1HG   LYS  53           HGR      LYS  53  -0.185  11.943  -3.991
  380   2HG   LYS  53           HGS      LYS  53  -1.919  11.630  -4.297
  381   1HD   LYS  53           HDS      LYS  53  -1.830  11.405  -1.598
  382   2HD   LYS  53           HDR      LYS  53  -0.543  12.549  -1.858
  383   1HE   LYS  53           HES      LYS  53  -2.894  13.218  -3.430
  384   2HE   LYS  53           HER      LYS  53  -3.220  13.128  -1.676
  385   1HZ   LYS  53           HZB      LYS  53  -1.248  14.573  -1.413
  386   2HZ   LYS  53           HZC      LYS  53  -1.214  14.787  -3.031
  387   3HZ   LYS  53           HZA      LYS  53  -2.505  15.290  -2.168
  388    H    ASP  54           HN       ASP  54  -2.235  10.393  -6.400
  389    HA   ASP  54           HA       ASP  54  -1.693  10.234  -8.597
  390   1HB   ASP  54           HBS      ASP  54   0.577  10.362  -9.059
  391   2HB   ASP  54           HBR      ASP  54   0.359  11.055  -7.426
  392    H    GLY  55           HN       GLY  55  -2.725   7.783  -7.259
  393   1HA   GLY  55           HAR      GLY  55  -3.658   6.126  -8.737
  394   2HA   GLY  55           HAS      GLY  55  -2.080   6.001  -9.557
  395    H    GLU  56           HN       GLU  56  -0.555   6.025  -7.054
  396    HA   GLU  56           HA       GLU  56  -1.011   3.157  -6.332
  397   1HB   GLU  56           HBR      GLU  56   1.313   2.974  -6.088
  398   2HB   GLU  56           HBS      GLU  56   0.971   3.670  -7.576
  399   1HG   GLU  56           HGS      GLU  56   1.266   5.831  -5.763
  400   2HG   GLU  56           HGR      GLU  56   2.716   4.806  -5.590
  401    H    ILE  57           HN       ILE  57   0.562   2.994  -4.143
  402    HA   ILE  57           HA       ILE  57  -0.800   4.699  -2.133
  403    HB   ILE  57           HB       ILE  57  -1.834   2.676  -1.136
  404   1HG1  ILE  57           HG1      ILE  57  -0.705   1.257  -3.580
  405   2HG1  ILE  57           HG1      ILE  57  -0.208   1.030  -1.879
  406   1HG2  ILE  57           HMG      ILE  57  -3.179   3.998  -2.672
  407   2HG2  ILE  57           HMG      ILE  57  -2.585   3.029  -4.047
  408   3HG2  ILE  57           HMG      ILE  57  -3.592   2.267  -2.789
  409   1HD1  ILE  57           HMD      ILE  57  -3.078   0.573  -2.457
  410   2HD1  ILE  57           HMD      ILE  57  -1.936  -0.588  -3.183
  411   3HD1  ILE  57           HMD      ILE  57  -1.947  -0.334  -1.418
  412    OH   TYR  58           OH       TYR  58   3.739   8.298  -2.367
  413    H    TYR  58           HN       TYR  58  -0.203   4.070   0.087
  414    HA   TYR  58           HA       TYR  58   2.083   2.236   0.295
  415   1HB   TYR  58           HBS      TYR  58   2.191   4.522   2.206
  416   2HB   TYR  58           HBR      TYR  58   3.505   3.564   1.470
  417    HD1  TYR  58           HD1      TYR  58   1.070   6.317   0.723
  418    HD2  TYR  58           HD2      TYR  58   4.699   4.392  -0.377
  419    HE1  TYR  58           HE1      TYR  58   1.563   8.151  -0.837
  420    HE2  TYR  58           HE2      TYR  58   5.236   6.249  -1.888
  421    HH   TYR  58           HH       TYR  58   4.614   8.769  -1.921
  422    H    CYS  59           HN       CYS  59   2.384   1.662   2.692
  423    HA   CYS  59           HA       CYS  59  -0.304   0.605   3.099
  424   1HB   CYS  59           HBR      CYS  59   0.641  -1.407   3.743
  425   2HB   CYS  59           HBS      CYS  59   1.528  -0.813   2.319
  426    H    LYS  60           HN       LYS  60  -1.071  -0.166   5.134
  427    HA   LYS  60           HA       LYS  60  -0.805   1.657   7.365
  428   1HB   LYS  60           HBS      LYS  60  -2.823   0.279   7.023
  429   2HB   LYS  60           HBR      LYS  60  -1.848  -1.194   7.282
  430   1HG   LYS  60           HGR      LYS  60  -1.752   0.879   9.426
  431   2HG   LYS  60           HGS      LYS  60  -3.289  -0.009   9.229
  432   1HD   LYS  60           HDS      LYS  60  -2.388  -2.028   9.791
  433   2HD   LYS  60           HDR      LYS  60  -0.786  -1.586   9.267
  434   1HE   LYS  60           HES      LYS  60  -1.216   0.166  11.346
  435   2HE   LYS  60           HER      LYS  60  -2.012  -1.341  11.881
  436   1HZ   LYS  60           HZC      LYS  60   0.712  -1.301  10.801
  437   2HZ   LYS  60           HZA      LYS  60   0.403  -1.108  12.393
  438   3HZ   LYS  60           HZB      LYS  60  -0.023  -2.494  11.640
  439    H    GLY  61           HN       GLY  61   0.815  -1.229   6.225
  440   1HA   GLY  61           HAR      GLY  61   2.320  -1.884   8.514
  441   2HA   GLY  61           HAS      GLY  61   2.795  -2.206   6.825
  442    H    CYS  62           HN       CYS  62   2.393   0.959   6.643
  443    HA   CYS  62           HA       CYS  62   5.248   1.442   7.195
  444   1HB   CYS  62           HBS      CYS  62   3.345   1.989   5.012
  445   2HB   CYS  62           HBR      CYS  62   4.417   3.359   5.416
  446    OH   TYR  63           OH       TYR  63  -1.540   8.106  12.594
  447    H    TYR  63           HN       TYR  63   2.092   3.102   7.218
  448    HA   TYR  63           HA       TYR  63   2.842   5.317   8.854
  449   1HB   TYR  63           HBS      TYR  63   0.717   5.256   7.669
  450   2HB   TYR  63           HBR      TYR  63   0.199   3.831   8.613
  451    HD1  TYR  63           HD1      TYR  63   0.838   7.487   8.779
  452    HD2  TYR  63           HD2      TYR  63  -0.548   4.070  10.899
  453    HE1  TYR  63           HE1      TYR  63  -0.134   8.953  10.495
  454    HE2  TYR  63           HE2      TYR  63  -1.541   5.523  12.608
  455    HH   TYR  63           HH       TYR  63  -0.945   9.017  12.597
  456    H    ALA  64           HN       ALA  64   2.548   1.936   9.450
  457    HA   ALA  64           HA       ALA  64   2.680   2.313  12.371
  458   1HB   ALA  64           HMB      ALA  64   2.440  -0.034  10.511
  459   2HB   ALA  64           HMB      ALA  64   2.985  -0.261  12.192
  460   3HB   ALA  64           HMB      ALA  64   1.392   0.468  11.863
  461    H    LYS  65           HN       LYS  65   4.607   0.369  10.059
  462    HA   LYS  65           HA       LYS  65   6.643  -0.105  11.877
  463   1HB   LYS  65           HBR      LYS  65   6.676  -0.145   8.848
  464   2HB   LYS  65           HBS      LYS  65   8.052  -0.679   9.853
  465   1HG   LYS  65           HGR      LYS  65   6.583  -2.372  10.922
  466   2HG   LYS  65           HGS      LYS  65   5.248  -1.865   9.846
  467   1HD   LYS  65           HDS      LYS  65   6.203  -3.837   8.946
  468   2HD   LYS  65           HDR      LYS  65   6.540  -2.483   7.903
  469   1HE   LYS  65           HES      LYS  65   8.484  -3.896   8.063
  470   2HE   LYS  65           HER      LYS  65   8.796  -2.297   8.794
  471   1HZ   LYS  65           HZC      LYS  65   7.827  -4.330  10.578
  472   2HZ   LYS  65           HZA      LYS  65   9.331  -4.580   9.991
  473   3HZ   LYS  65           HZB      LYS  65   8.989  -3.206  10.805
  474    H    ASN  66           HN       ASN  66   6.047   2.731  10.033
  475    HA   ASN  66           HA       ASN  66   8.603   3.820   9.872
  476   1HB   ASN  66           HBS      ASN  66   6.660   4.739   8.742
  477   2HB   ASN  66           HBR      ASN  66   6.019   5.317  10.307
  478   1HD2  ASN  66           HD2      ASN  66   8.421   7.668   8.187
  479   2HD2  ASN  66           HD2      ASN  66   7.511   6.327   7.577
  480    H    PHE  67           HN       PHE  67   6.247   4.138  12.532
  481    HA   PHE  67           HA       PHE  67   6.531   4.471  14.767
  482   1HB   PHE  67           HBS      PHE  67   8.477   2.633  14.059
  483   2HB   PHE  67           HBR      PHE  67   9.422   3.901  14.893
  484    HD1  PHE  67           HD2      PHE  67   6.072   2.187  15.462
  485    HD2  PHE  67           HD1      PHE  67   9.760   3.616  17.048
  486    HE1  PHE  67           HE2      PHE  67   5.431   1.343  17.697
  487    HE2  PHE  67           HE1      PHE  67   9.150   2.784  19.274
  488    HZ   PHE  67           HZ       PHE  67   7.013   1.593  19.589
  489    H    GLY  68           HN       GLY  68   9.855   5.279  13.763
  490   1HA   GLY  68           HAR      GLY  68  10.083   7.952  13.709
  491   2HA   GLY  68           HAS      GLY  68   9.732   7.698  15.442
  492    HA   PRO  69           HA       PRO  69  13.651   5.113  14.375
  493   1HB   PRO  69           HBS      PRO  69  14.913   5.812  12.102
  494   2HB   PRO  69           HBR      PRO  69  14.008   4.457  12.301
  495   1HG   PRO  69           HGS      PRO  69  13.380   6.804  10.924
  496   2HG   PRO  69           HGR      PRO  69  12.678   5.298  10.769
  497   1HD   PRO  69           HDS      PRO  69  11.557   7.395  12.005
  498   2HD   PRO  69           HDR      PRO  69  11.066   5.824  12.163
  499    H    LYS  70           HN       LYS  70  13.825   8.395  13.335
  500    HA   LYS  70           HA       LYS  70  15.272  10.103  13.850
  501   1HB   LYS  70           HBS      LYS  70  15.559   8.339  16.198
  502   2HB   LYS  70           HBR      LYS  70  17.004   9.318  15.817
  503   1HG   LYS  70           HGR      LYS  70  16.058  11.164  16.655
  504   2HG   LYS  70           HGS      LYS  70  14.591  10.932  15.662
  505   1HD   LYS  70           HDS      LYS  70  14.034  11.013  18.009
  506   2HD   LYS  70           HDR      LYS  70  13.621   9.492  17.268
  507   1HE   LYS  70           HES      LYS  70  16.213   9.118  18.260
  508   2HE   LYS  70           HER      LYS  70  15.311  10.011  19.518
  509   1HZ   LYS  70           HZA      LYS  70  13.601   8.330  19.358
  510   2HZ   LYS  70           HZB      LYS  70  14.458   7.504  18.241
  511   3HZ   LYS  70           HZC      LYS  70  15.034   7.660  19.762
  512    H    GLY  71           HN       GLY  71  17.221  10.701  13.066
  513   1HA   GLY  71           HAR      GLY  71  19.616   9.570  12.573
  514   2HA   GLY  71           HAS      GLY  71  18.563   8.602  11.505
  515    H    PHE  72           HN       PHE  72  20.402   9.908  10.204
  516    HA   PHE  72           HA       PHE  72  19.088  12.273   8.995
  517   1HB   PHE  72           HBS      PHE  72  20.816  12.876  10.888
  518   2HB   PHE  72           HBR      PHE  72  22.030  12.431   9.654
  519    HD1  PHE  72           HD2      PHE  72  18.733  14.142   9.022
  520    HD2  PHE  72           HD1      PHE  72  22.984  14.410   9.146
  521    HE1  PHE  72           HE2      PHE  72  18.614  16.402   8.023
  522    HE2  PHE  72           HE1      PHE  72  22.893  16.654   8.159
  523    HZ   PHE  72           HZ       PHE  72  20.706  17.678   7.652
  524    H    GLY  73           HN       GLY  73  21.909  10.078   8.947
  525   1HA   GLY  73           HAR      GLY  73  22.296   8.599   7.025
  526   2HA   GLY  73           HAS      GLY  73  21.589   9.862   5.982
  527    H    PHE  74           HN       PHE  74  24.338   8.472   6.329
  528    HA   PHE  74           HA       PHE  74  25.901  10.992   6.060
  529   1HB   PHE  74           HBR      PHE  74  26.741   9.463   7.917
  530   2HB   PHE  74           HBS      PHE  74  27.140   8.275   6.642
  531    HD1  PHE  74           HD2      PHE  74  27.712  11.987   7.252
  532    HD2  PHE  74           HD1      PHE  74  29.240   8.215   5.991
  533    HE1  PHE  74           HE2      PHE  74  29.896  13.042   6.765
  534    HE2  PHE  74           HE1      PHE  74  31.415   9.237   5.497
  535    HZ   PHE  74           HZ       PHE  74  31.728  11.661   5.826
  536    H    GLY  75           HN       GLY  75  24.133   9.469   4.195
  537   1HA   GLY  75           HAR      GLY  75  25.711   8.164   2.244
  538   2HA   GLY  75           HAS      GLY  75  24.105   8.890   1.969
  539    H    GLN  76           HN       GLN  76  27.586   9.581   2.156
  540    HA   GLN  76           HA       GLN  76  28.927  10.882   0.870
  541   1HB   GLN  76           HBS      GLN  76  26.618  11.423  -0.984
  542   2HB   GLN  76           HBR      GLN  76  28.365  11.323  -1.340
  543   1HG   GLN  76           HGS      GLN  76  26.537   9.027  -0.582
  544   2HG   GLN  76           HGR      GLN  76  27.188   9.379  -2.208
  545   1HE2  GLN  76           HE2      GLN  76  30.625   8.670  -1.002
  546   2HE2  GLN  76           HE2      GLN  76  29.784  10.040  -1.648
  547    H    GLY  77           HN       GLY  77  29.657  12.876   1.022
  548   1HA   GLY  77           HAS      GLY  77  29.052  15.371   1.011
  549   2HA   GLY  77           HAR      GLY  77  27.772  14.892   2.157
  550    H    ALA  78           HN       ALA  78  30.442  16.496   2.214
  551    HA   ALA  78           HA       ALA  78  32.025  15.300   4.321
  552   1HB   ALA  78           HMB      ALA  78  32.905  17.058   2.879
  553   2HB   ALA  78           HMB      ALA  78  31.666  18.191   3.477
  554   3HB   ALA  78           HMB      ALA  78  32.910  17.563   4.589
  555    H    GLY  79           HN       GLY  79  30.736  14.572   5.936
  556   1HA   GLY  79           HAR      GLY  79  29.607  16.729   7.655
  557   2HA   GLY  79           HAS      GLY  79  28.745  15.177   7.477
  558    H    ALA  80           HN       ALA  80  29.460  15.913   9.955
  559    HA   ALA  80           HA       ALA  80  31.830  14.250  10.641
  560   1HB   ALA  80           HMB      ALA  80  30.534  16.558  11.845
  561   2HB   ALA  80           HMB      ALA  80  30.688  15.202  12.991
  562   3HB   ALA  80           HMB      ALA  80  32.132  15.837  12.163
  563    H    LEU  81           HN       LEU  81  30.949  13.425  13.144
  564    HA   LEU  81           HA       LEU  81  28.362  12.062  12.724
  565   1HB   LEU  81           HBR      LEU  81  30.984  10.818  12.790
  566   2HB   LEU  81           HBS      LEU  81  29.949  10.227  14.122
  567    HG   LEU  81           HG       LEU  81  29.170  10.191  11.194
  568   1HD1  LEU  81           HMD      LEU  81  31.151   8.681  12.200
  569   2HD1  LEU  81           HMD      LEU  81  29.756   7.701  12.718
  570   3HD1  LEU  81           HMD      LEU  81  29.990   8.078  10.992
  571   1HD2  LEU  81           HMD      LEU  81  27.683  10.029  13.548
  572   2HD2  LEU  81           HMD      LEU  81  27.174   9.502  11.924
  573   3HD2  LEU  81           HMD      LEU  81  27.908   8.333  13.050
  574    H    ILE  82           HN       ILE  82  30.644  11.407  15.308
  575    HA   ILE  82           HA       ILE  82  28.967  12.972  17.200
  576    HB   ILE  82           HB       ILE  82  29.581   9.979  17.323
  577   1HG1  ILE  82           HG1      ILE  82  27.770  10.704  15.781
  578   2HG1  ILE  82           HG1      ILE  82  27.210   9.644  17.105
  579   1HG2  ILE  82           HMG      ILE  82  29.083  11.829  19.469
  580   2HG2  ILE  82           HMG      ILE  82  27.749  10.651  19.346
  581   3HG2  ILE  82           HMG      ILE  82  29.429  10.080  19.526
  582   1HD1  ILE  82           HMD      ILE  82  26.538  11.805  18.310
  583   2HD1  ILE  82           HMD      ILE  82  26.757  12.604  16.731
  584   3HD1  ILE  82           HMD      ILE  82  25.557  11.296  16.910
  585    H    HIS  83           HN       HIS  83  31.782  10.765  16.953
  586    HA   HIS  83           HA       HIS  83  33.319  12.647  18.622
  587   1HB   HIS  83           HBS      HIS  83  32.430  10.757  20.126
  588   2HB   HIS  83           HBR      HIS  83  33.507   9.672  19.200
  589    HD1  HIS  83           HD1      HIS  83  34.708   9.436  21.701
  590    HD2  HIS  83           HD2      HIS  83  35.094  13.083  19.727
  591    HE1  HIS  83           HE1      HIS  83  36.509  10.700  22.899
  592    HE2  HIS  83           HE2      HIS  83  36.733  12.917  21.722
  593    H    SER  84           HN       SER  84  33.902   9.318  17.480
  594    HA   SER  84           HA       SER  84  36.456  10.265  16.391
  595   1HB   SER  84           HBS      SER  84  35.777   8.097  17.911
  596   2HB   SER  84           HBR      SER  84  35.893   7.382  16.277
  597    HG   SER  84           HG       SER  84  37.815   9.227  17.431
  598    H    GLN  85           HN       GLN  85  37.285   9.345  14.385
  599    HA   GLN  85           HA       GLN  85  35.268   8.624  12.407
  600   1HB   GLN  85           HBR      GLN  85  36.186  10.285  10.743
  601   2HB   GLN  85           HBS      GLN  85  35.085  10.914  12.004
  602   1HG   GLN  85           HGS      GLN  85  36.940  11.829  13.240
  603   2HG   GLN  85           HGR      GLN  85  38.109  11.081  12.115
  604   1HE2  GLN  85           HE2      GLN  85  38.315  13.992  10.301
  605   2HE2  GLN  85           HE2      GLN  85  39.083  12.650  11.082
   
  Start of MODEL           7
 Raw file had  605 H/Q atoms
  Start of MODEL    7
    1   1H    MET   1           HNB      MET   1 -22.089  -1.190 -16.769
    2   2H    MET   1           HNC      MET   1 -23.459  -1.731 -17.476
    3   3H    MET   1           HN       MET   1 -22.225  -2.762 -17.191
    4    HA   MET   1           HA       MET   1 -20.826  -1.730 -18.733
    5   1HB   MET   1           HBR      MET   1 -22.266  -2.027 -20.822
    6   2HB   MET   1           HBS      MET   1 -22.108  -3.428 -19.724
    7   1HG   MET   1           HGS      MET   1 -24.304  -2.799 -18.684
    8   2HG   MET   1           HGR      MET   1 -24.449  -1.491 -19.883
    9   1HE   MET   1           HME      MET   1 -25.290  -4.609 -18.822
   10   2HE   MET   1           HME      MET   1 -26.673  -4.425 -19.930
   11   3HE   MET   1           HME      MET   1 -25.518  -5.762 -20.161
   12    H    ALA   2           HN       ALA   2 -23.672   0.023 -17.828
   13    HA   ALA   2           HA       ALA   2 -22.605   2.420 -19.247
   14   1HB   ALA   2           HMB      ALA   2 -24.877   1.764 -20.001
   15   2HB   ALA   2           HMB      ALA   2 -25.455   1.962 -18.327
   16   3HB   ALA   2           HMB      ALA   2 -24.814   3.364 -19.219
   17    H    GLN   3           HN       GLN   3 -24.057   4.285 -17.783
   18    HA   GLN   3           HA       GLN   3 -22.693   4.344 -15.217
   19   1HB   GLN   3           HBS      GLN   3 -23.473   6.339 -16.757
   20   2HB   GLN   3           HBR      GLN   3 -24.983   6.164 -15.817
   21   1HG   GLN   3           HGS      GLN   3 -24.089   7.298 -14.139
   22   2HG   GLN   3           HGR      GLN   3 -22.782   6.088 -14.002
   23   1HE2  GLN   3           HE2      GLN   3 -20.506   8.612 -14.617
   24   2HE2  GLN   3           HE2      GLN   3 -21.097   7.364 -13.572
   25    H    LYS   4           HN       LYS   4 -24.237   5.049 -13.316
   26    HA   LYS   4           HA       LYS   4 -25.613   4.238 -11.666
   27   1HB   LYS   4           HBR      LYS   4 -27.476   4.483 -13.255
   28   2HB   LYS   4           HBS      LYS   4 -27.113   2.866 -13.922
   29   1HG   LYS   4           HGR      LYS   4 -28.110   1.785 -12.197
   30   2HG   LYS   4           HGS      LYS   4 -27.524   2.961 -10.985
   31   1HD   LYS   4           HDS      LYS   4 -29.461   3.981 -10.921
   32   2HD   LYS   4           HDR      LYS   4 -29.384   4.294 -12.633
   33   1HE   LYS   4           HES      LYS   4 -31.431   3.094 -11.940
   34   2HE   LYS   4           HER      LYS   4 -30.457   2.252 -13.178
   35   1HZ   LYS   4           HZB      LYS   4 -29.452   1.183 -11.039
   36   2HZ   LYS   4           HZC      LYS   4 -30.916   1.544 -10.411
   37   3HZ   LYS   4           HZA      LYS   4 -30.807   0.586 -11.730
   38    H    VAL   5           HN       VAL   5 -24.292   2.967 -10.546
   39    HA   VAL   5           HA       VAL   5 -23.884   0.176 -11.490
   40    HB   VAL   5           HB       VAL   5 -21.945   1.475 -12.017
   41   1HG1  VAL   5           HMG      VAL   5 -21.931   2.334  -9.117
   42   2HG1  VAL   5           HMG      VAL   5 -20.542   2.516 -10.215
   43   3HG1  VAL   5           HMG      VAL   5 -22.071   3.358 -10.566
   44   1HG2  VAL   5           HMG      VAL   5 -21.787  -0.579  -9.875
   45   2HG2  VAL   5           HMG      VAL   5 -21.151  -0.589 -11.538
   46   3HG2  VAL   5           HMG      VAL   5 -20.300   0.319 -10.265
   47    H    GLY   6           HN       GLY   6 -23.916  -1.418 -10.027
   48   1HA   GLY   6           HAS      GLY   6 -25.337  -0.714  -7.551
   49   2HA   GLY   6           HAR      GLY   6 -25.239  -2.322  -8.317
   50    H    GLY   7           HN       GLY   7 -24.180  -3.737  -7.139
   51   1HA   GLY   7           HAS      GLY   7 -22.635  -2.854  -4.849
   52   2HA   GLY   7           HAR      GLY   7 -23.092  -4.530  -5.257
   53    H    SER   8           HN       SER   8 -21.996  -4.267  -8.004
   54    HA   SER   8           HA       SER   8 -19.601  -5.584  -7.447
   55   1HB   SER   8           HBS      SER   8 -20.796  -6.017  -9.470
   56   2HB   SER   8           HBR      SER   8 -20.562  -4.339 -10.038
   57    HG   SER   8           HG       SER   8 -18.701  -4.740 -10.772
   58    H    ASP   9           HN       ASP   9 -17.427  -5.093  -8.039
   59    HA   ASP   9           HA       ASP   9 -16.710  -2.456  -8.837
   60   1HB   ASP   9           HBR      ASP   9 -16.684  -2.963  -5.991
   61   2HB   ASP   9           HBS      ASP   9 -15.059  -2.554  -6.612
   62    H    GLY  10           HN       GLY  10 -14.993  -2.542 -10.059
   63   1HA   GLY  10           HAS      GLY  10 -13.865  -5.262 -10.380
   64   2HA   GLY  10           HAR      GLY  10 -14.101  -4.045 -11.662
   65    H    CYS  11           HN       CYS  11 -11.729  -5.328 -11.535
   66    HA   CYS  11           HA       CYS  11  -9.855  -3.499 -10.131
   67   1HB   CYS  11           HBS      CYS  11 -10.183  -5.946  -9.408
   68   2HB   CYS  11           HBR      CYS  11  -9.325  -6.359 -10.919
   69    HA   PRO  12           HA       PRO  12  -8.455  -2.573 -14.273
   70   1HB   PRO  12           HBS      PRO  12  -7.140  -0.437 -13.075
   71   2HB   PRO  12           HBR      PRO  12  -8.309  -0.376 -14.225
   72   1HG   PRO  12           HGS      PRO  12  -8.596   0.355 -11.683
   73   2HG   PRO  12           HGR      PRO  12  -9.861   0.057 -12.730
   74   1HD   PRO  12           HDS      PRO  12  -8.919  -1.546 -10.624
   75   2HD   PRO  12           HDR      PRO  12 -10.388  -1.603 -11.383
   76    NH1  ARG  13           NH1      ARG  13  -1.586  -5.645 -10.215
   77    NH2  ARG  13           NH2      ARG  13   0.279  -4.365 -10.615
   78    H    ARG  13           HN       ARG  13  -7.001  -3.532 -11.479
   79    HA   ARG  13           HA       ARG  13  -4.291  -3.065 -12.313
   80   1HB   ARG  13           HBS      ARG  13  -5.685  -3.797  -9.901
   81   2HB   ARG  13           HBR      ARG  13  -4.318  -4.916 -10.172
   82   1HG   ARG  13           HGS      ARG  13  -3.187  -2.455 -10.681
   83   2HG   ARG  13           HGR      ARG  13  -4.333  -2.090  -9.360
   84   1HD   ARG  13           HDS      ARG  13  -2.845  -2.880  -7.945
   85   2HD   ARG  13           HDR      ARG  13  -3.119  -4.498  -8.648
   86    HE   ARG  13           HE       ARG  13  -0.851  -2.707  -9.156
   87   1HH1  ARG  13           HH1      ARG  13  -2.487  -5.764  -9.797
   88   2HH1  ARG  13           HH1      ARG  13  -1.176  -6.393 -10.738
   89   1HH2  ARG  13           HH2      ARG  13   0.788  -3.512 -10.500
   90   2HH2  ARG  13           HH2      ARG  13   0.678  -5.120 -11.135
   91    H    CYS  14           HN       CYS  14  -6.108  -6.078 -11.599
   92    HA   CYS  14           HA       CYS  14  -3.983  -7.643 -12.944
   93   1HB   CYS  14           HBS      CYS  14  -5.222  -9.613 -12.134
   94   2HB   CYS  14           HBR      CYS  14  -4.619  -8.540 -10.840
   95    H    GLY  15           HN       GLY  15  -7.205  -6.396 -13.334
   96   1HA   GLY  15           HAR      GLY  15  -7.716  -5.957 -15.717
   97   2HA   GLY  15           HAS      GLY  15  -7.308  -7.663 -16.042
   98    H    GLN  16           HN       GLN  16  -8.586  -8.374 -13.370
   99    HA   GLN  16           HA       GLN  16 -11.111  -9.061 -14.578
  100   1HB   GLN  16           HBR      GLN  16  -9.507 -10.005 -12.353
  101   2HB   GLN  16           HBS      GLN  16 -11.233  -9.864 -11.915
  102   1HG   GLN  16           HGS      GLN  16 -10.711 -11.106 -14.539
  103   2HG   GLN  16           HGR      GLN  16 -10.087 -12.019 -13.136
  104   1HE2  GLN  16           HE2      GLN  16 -14.093 -11.663 -13.904
  105   2HE2  GLN  16           HE2      GLN  16 -12.899 -10.788 -14.802
  106    H    ALA  17           HN       ALA  17 -13.083  -9.064 -13.007
  107    HA   ALA  17           HA       ALA  17 -13.194  -6.575 -11.410
  108   1HB   ALA  17           HMB      ALA  17 -14.492  -6.732 -13.821
  109   2HB   ALA  17           HMB      ALA  17 -15.745  -7.280 -12.679
  110   3HB   ALA  17           HMB      ALA  17 -14.962  -5.696 -12.450
  111    H    VAL  18           HN       VAL  18 -14.768  -6.671  -9.717
  112    HA   VAL  18           HA       VAL  18 -14.912  -9.459  -8.723
  113    HB   VAL  18           HB       VAL  18 -14.815  -6.945  -7.058
  114   1HG1  VAL  18           HMG      VAL  18 -14.389  -9.871  -6.500
  115   2HG1  VAL  18           HMG      VAL  18 -13.681  -8.617  -5.454
  116   3HG1  VAL  18           HMG      VAL  18 -15.446  -8.701  -5.674
  117   1HG2  VAL  18           HMG      VAL  18 -12.600  -8.344  -8.477
  118   2HG2  VAL  18           HMG      VAL  18 -12.820  -6.620  -8.095
  119   3HG2  VAL  18           HMG      VAL  18 -12.303  -7.754  -6.824
  120    OH   TYR  19           OH       TYR  19 -21.190  -8.410 -13.557
  121    H    TYR  19           HN       TYR  19 -16.693 -10.303  -7.865
  122    HA   TYR  19           HA       TYR  19 -19.146  -8.615  -7.915
  123   1HB   TYR  19           HBR      TYR  19 -18.501 -11.339  -8.939
  124   2HB   TYR  19           HBS      TYR  19 -20.102 -11.126  -8.176
  125    HD1  TYR  19           HD1      TYR  19 -20.643  -8.275  -9.054
  126    HD2  TYR  19           HD2      TYR  19 -19.161 -11.640 -11.191
  127    HE1  TYR  19           HE1      TYR  19 -21.515  -7.324 -11.145
  128    HE2  TYR  19           HE2      TYR  19 -20.001 -10.687 -13.291
  129    HH   TYR  19           HH       TYR  19 -22.162  -7.978 -13.325
  130    H    ALA  20           HN       ALA  20 -17.241 -10.968  -6.145
  131    HA   ALA  20           HA       ALA  20 -19.177 -10.917  -3.891
  132   1HB   ALA  20           HMB      ALA  20 -16.836 -12.636  -4.633
  133   2HB   ALA  20           HMB      ALA  20 -17.298 -12.459  -2.921
  134   3HB   ALA  20           HMB      ALA  20 -18.475 -13.091  -4.101
  135    H    ALA  21           HN       ALA  21 -17.340  -8.726  -5.038
  136    HA   ALA  21           HA       ALA  21 -16.345  -6.866  -4.147
  137   1HB   ALA  21           HMB      ALA  21 -18.493  -7.633  -2.612
  138   2HB   ALA  21           HMB      ALA  21 -17.201  -7.429  -1.402
  139   3HB   ALA  21           HMB      ALA  21 -17.620  -6.084  -2.494
  140    H    GLU  22           HN       GLU  22 -14.195  -7.289  -4.352
  141    HA   GLU  22           HA       GLU  22 -12.876  -7.733  -1.724
  142   1HB   GLU  22           HBR      GLU  22 -11.420  -8.281  -4.271
  143   2HB   GLU  22           HBS      GLU  22 -11.086  -8.754  -2.696
  144   1HG   GLU  22           HGS      GLU  22 -13.429 -10.013  -2.889
  145   2HG   GLU  22           HGR      GLU  22 -12.942 -10.133  -4.601
  146    H    LYS  23           HN       LYS  23 -14.046  -5.420  -3.158
  147    HA   LYS  23           HA       LYS  23 -11.820  -4.104  -4.506
  148   1HB   LYS  23           HBR      LYS  23 -13.544  -2.380  -5.042
  149   2HB   LYS  23           HBS      LYS  23 -13.935  -4.030  -5.606
  150   1HG   LYS  23           HGR      LYS  23 -15.927  -3.838  -4.613
  151   2HG   LYS  23           HGS      LYS  23 -15.089  -3.794  -3.035
  152   1HD   LYS  23           HDS      LYS  23 -14.834  -1.211  -4.052
  153   2HD   LYS  23           HDR      LYS  23 -16.447  -1.694  -4.500
  154   1HE   LYS  23           HES      LYS  23 -16.925  -2.322  -2.166
  155   2HE   LYS  23           HER      LYS  23 -15.295  -1.743  -1.723
  156   1HZ   LYS  23           HZB      LYS  23 -16.386   0.300  -3.100
  157   2HZ   LYS  23           HZC      LYS  23 -17.652  -0.255  -2.230
  158   3HZ   LYS  23           HZA      LYS  23 -16.278   0.199  -1.473
  159    H    VAL  24           HN       VAL  24 -10.407  -2.997  -3.363
  160    HA   VAL  24           HA       VAL  24 -11.269  -1.168  -1.210
  161    HB   VAL  24           HB       VAL  24  -8.868  -0.440  -1.298
  162   1HG1  VAL  24           HMG      VAL  24  -9.760  -2.065   0.363
  163   2HG1  VAL  24           HMG      VAL  24  -9.227  -3.387  -0.703
  164   3HG1  VAL  24           HMG      VAL  24  -8.030  -2.273   0.001
  165   1HG2  VAL  24           HMG      VAL  24  -8.830  -2.051  -3.638
  166   2HG2  VAL  24           HMG      VAL  24  -7.519  -1.086  -2.920
  167   3HG2  VAL  24           HMG      VAL  24  -7.735  -2.787  -2.443
  168    H    ILE  25           HN       ILE  25 -10.033   1.100  -1.668
  169    HA   ILE  25           HA       ILE  25 -10.365   1.901  -4.496
  170    HB   ILE  25           HB       ILE  25 -12.500   2.447  -3.333
  171   1HG1  ILE  25           HG1      ILE  25 -11.938   5.153  -3.748
  172   2HG1  ILE  25           HG1      ILE  25 -10.707   4.298  -4.721
  173   1HG2  ILE  25           HMG      ILE  25 -11.397   2.863  -1.076
  174   2HG2  ILE  25           HMG      ILE  25 -11.007   4.489  -1.695
  175   3HG2  ILE  25           HMG      ILE  25 -12.708   3.970  -1.564
  176   1HD1  ILE  25           HMD      ILE  25 -12.789   2.910  -5.548
  177   2HD1  ILE  25           HMD      ILE  25 -13.688   4.354  -5.013
  178   3HD1  ILE  25           HMD      ILE  25 -12.410   4.506  -6.248
  179    H    GLY  26           HN       GLY  26  -8.912   3.349  -5.187
  180   1HA   GLY  26           HAR      GLY  26  -7.123   4.655  -3.177
  181   2HA   GLY  26           HAS      GLY  26  -6.500   3.824  -4.627
  182    H    ALA  27           HN       ALA  27  -8.187   6.630  -3.379
  183    HA   ALA  27           HA       ALA  27  -8.348   8.778  -4.165
  184   1HB   ALA  27           HMB      ALA  27  -6.116   7.669  -5.738
  185   2HB   ALA  27           HMB      ALA  27  -6.981   9.024  -6.506
  186   3HB   ALA  27           HMB      ALA  27  -6.275   9.223  -4.882
  187    H    GLY  28           HN       GLY  28  -7.862   7.282  -7.343
  188   1HA   GLY  28           HAR      GLY  28 -10.807   7.272  -7.792
  189   2HA   GLY  28           HAS      GLY  28  -9.717   7.974  -9.017
  190    H    LYS  29           HN       LYS  29  -8.949   5.189  -6.973
  191    HA   LYS  29           HA       LYS  29  -9.198   3.405  -9.352
  192   1HB   LYS  29           HBS      LYS  29  -7.036   3.855  -7.400
  193   2HB   LYS  29           HBR      LYS  29  -7.462   2.138  -7.652
  194   1HG   LYS  29           HGR      LYS  29  -5.653   2.796  -9.156
  195   2HG   LYS  29           HGS      LYS  29  -7.133   2.431 -10.089
  196   1HD   LYS  29           HDS      LYS  29  -7.038   4.390 -11.057
  197   2HD   LYS  29           HDR      LYS  29  -7.279   5.148  -9.507
  198   1HE   LYS  29           HES      LYS  29  -5.229   5.961  -9.467
  199   2HE   LYS  29           HER      LYS  29  -4.540   4.340  -9.763
  200   1HZ   LYS  29           HZA      LYS  29  -5.725   5.459 -12.076
  201   2HZ   LYS  29           HZB      LYS  29  -4.533   6.412 -11.493
  202   3HZ   LYS  29           HZC      LYS  29  -4.223   4.852 -11.867
  203    H    SER  30           HN       SER  30  -9.348   1.070  -8.722
  204    HA   SER  30           HA       SER  30 -10.352   0.518  -6.047
  205   1HB   SER  30           HBR      SER  30 -12.234   0.814  -8.157
  206   2HB   SER  30           HBS      SER  30 -12.096  -0.929  -7.784
  207    HG   SER  30           HG       SER  30 -12.328   1.184  -5.811
  208    CH2  TRP  31           CH2      TRP  31  -3.283   1.337  -6.643
  209    H    TRP  31           HN       TRP  31  -9.647  -1.376  -5.348
  210    HA   TRP  31           HA       TRP  31  -8.191  -3.071  -7.312
  211   1HB   TRP  31           HBS      TRP  31  -7.000  -2.645  -4.627
  212   2HB   TRP  31           HBR      TRP  31  -6.232  -2.913  -6.217
  213    HD1  TRP  31           HD1      TRP  31  -8.460   0.043  -4.954
  214    HE1  TRP  31           HE1      TRP  31  -7.139   2.225  -5.257
  215    HE3  TRP  31           HE3      TRP  31  -4.108  -1.952  -6.673
  216    HZ2  TRP  31           HZ2      TRP  31  -4.560   2.969  -6.072
  217    HZ3  TRP  31           HZ3      TRP  31  -2.210  -0.452  -7.074
  218    HH2  TRP  31           HH2      TRP  31  -2.446   1.966  -6.863
  219    H    HIS  32           HN       ZHI  32  -7.669  -5.194  -6.613
  220    HA   HIS  32           HA       ZHI  32  -9.596  -6.513  -4.881
  221   1HB   HIS  32           HBS      ZHI  32  -7.057  -7.455  -6.258
  222   2HB   HIS  32           HBR      ZHI  32  -7.927  -8.461  -5.063
  223    HD2  HIS  32           HD2      ZHI  32 -10.705  -8.929  -5.855
  224    HE1  HIS  32           HE1      ZHI  32  -9.722  -8.801  -9.946
  225    HE2  HIS  32           HE2      ZHI  32 -11.381  -9.648  -8.248
  226    H    LYS  33           HN       LYS  33  -9.256  -7.330  -2.858
  227    HA   LYS  33           HA       LYS  33  -6.999  -6.376  -1.230
  228   1HB   LYS  33           HBS      LYS  33  -7.899  -7.932   0.478
  229   2HB   LYS  33           HBR      LYS  33  -9.082  -6.708  -0.063
  230   1HG   LYS  33           HGR      LYS  33 -10.539  -8.344  -0.467
  231   2HG   LYS  33           HGS      LYS  33  -9.444  -8.986  -1.725
  232   1HD   LYS  33           HDS      LYS  33  -8.245 -10.257   0.039
  233   2HD   LYS  33           HDR      LYS  33  -9.418  -9.697   1.199
  234   1HE   LYS  33           HES      LYS  33 -11.210 -10.726  -0.287
  235   2HE   LYS  33           HER      LYS  33  -9.855 -11.532  -1.127
  236   1HZ   LYS  33           HZB      LYS  33  -9.203 -12.315   1.140
  237   2HZ   LYS  33           HZC      LYS  33 -10.667 -11.826   1.672
  238   3HZ   LYS  33           HZA      LYS  33 -10.560 -12.983   0.524
  239    H    SER  34           HN       SER  34  -5.394  -7.136  -2.729
  240    HA   SER  34           HA       SER  34  -4.234  -9.591  -2.381
  241   1HB   SER  34           HBR      SER  34  -6.607 -10.044  -3.798
  242   2HB   SER  34           HBS      SER  34  -5.303 -10.089  -5.021
  243    HG   SER  34           HG       SER  34  -5.552 -11.526  -2.508
  244    H    CYS  35           HN       CYS  35  -5.115  -7.065  -4.664
  245    HA   CYS  35           HA       CYS  35  -2.571  -7.461  -6.156
  246   1HB   CYS  35           HBS      CYS  35  -5.006  -5.835  -6.929
  247   2HB   CYS  35           HBR      CYS  35  -3.523  -6.083  -7.896
  248    H    PHE  36           HN       PHE  36  -3.190  -6.192  -3.445
  249    HA   PHE  36           HA       PHE  36  -2.804  -3.334  -4.028
  250   1HB   PHE  36           HBS      PHE  36  -4.579  -4.465  -2.345
  251   2HB   PHE  36           HBR      PHE  36  -3.211  -4.271  -1.212
  252    HD1  PHE  36           HD2      PHE  36  -2.046  -1.660  -2.224
  253    HD2  PHE  36           HD1      PHE  36  -6.080  -2.929  -1.714
  254    HE1  PHE  36           HE2      PHE  36  -2.687   0.648  -1.600
  255    HE2  PHE  36           HE1      PHE  36  -6.757  -0.634  -1.173
  256    HZ   PHE  36           HZ       PHE  36  -5.058   1.152  -1.086
  257    NH1  ARG  37           NH1      ARG  37   2.977  -8.194  -8.123
  258    NH2  ARG  37           NH2      ARG  37   1.607  -9.879  -7.376
  259    H    ARG  37           HN       ARG  37  -0.582  -3.582  -4.619
  260    HA   ARG  37           HA       ARG  37   1.267  -4.577  -2.523
  261   1HB   ARG  37           HBR      ARG  37   1.935  -3.823  -5.380
  262   2HB   ARG  37           HBS      ARG  37   2.927  -4.744  -4.214
  263   1HG   ARG  37           HGS      ARG  37   0.939  -6.441  -4.277
  264   2HG   ARG  37           HGR      ARG  37   0.533  -5.624  -5.813
  265   1HD   ARG  37           HDS      ARG  37   2.598  -6.189  -6.775
  266   2HD   ARG  37           HDR      ARG  37   3.285  -6.678  -5.200
  267    HE   ARG  37           HE       ARG  37   1.455  -8.506  -5.316
  268   1HH1  ARG  37           HH1      ARG  37   3.414  -7.304  -7.989
  269   2HH1  ARG  37           HH1      ARG  37   3.140  -8.709  -8.965
  270   1HH2  ARG  37           HH2      ARG  37   1.012 -10.268  -6.672
  271   2HH2  ARG  37           HH2      ARG  37   1.778 -10.384  -8.222
  272    H    CYS  38           HN       CYS  38   1.999  -3.117  -1.180
  273    HA   CYS  38           HA       CYS  38   2.422  -0.331  -1.685
  274   1HB   CYS  38           HBS      CYS  38   2.369  -1.505   0.553
  275   2HB   CYS  38           HBR      CYS  38   4.020  -2.082   0.186
  276    H    ALA  39           HN       ALA  39   3.467   0.235  -3.462
  277    HA   ALA  39           HA       ALA  39   5.885  -0.889  -4.431
  278   1HB   ALA  39           HMB      ALA  39   4.164   0.928  -5.370
  279   2HB   ALA  39           HMB      ALA  39   5.411   2.031  -4.735
  280   3HB   ALA  39           HMB      ALA  39   5.847   0.793  -5.941
  281    H    LYS  40           HN       LYS  40   5.207   0.984  -1.641
  282    HA   LYS  40           HA       LYS  40   7.567   2.645  -1.648
  283   1HB   LYS  40           HBR      LYS  40   5.249   2.935  -0.411
  284   2HB   LYS  40           HBS      LYS  40   6.081   2.017   0.878
  285   1HG   LYS  40           HGR      LYS  40   7.523   3.726   1.363
  286   2HG   LYS  40           HGS      LYS  40   7.535   4.344  -0.314
  287   1HD   LYS  40           HDS      LYS  40   6.271   5.990   0.425
  288   2HD   LYS  40           HDR      LYS  40   4.979   4.823   0.359
  289   1HE   LYS  40           HES      LYS  40   5.169   6.151   2.493
  290   2HE   LYS  40           HER      LYS  40   5.049   4.375   2.642
  291   1HZ   LYS  40           HZC      LYS  40   7.673   5.626   2.542
  292   2HZ   LYS  40           HZA      LYS  40   6.831   5.667   3.941
  293   3HZ   LYS  40           HZB      LYS  40   7.216   4.233   3.261
  294    H    CYS  41           HN       CYS  41   6.531  -0.071   0.462
  295    HA   CYS  41           HA       CYS  41   9.344  -0.258   1.411
  296   1HB   CYS  41           HBR      CYS  41   8.536  -1.592   3.256
  297   2HB   CYS  41           HBS      CYS  41   7.785   0.024   3.210
  298    H    GLY  42           HN       GLY  42   6.769  -1.896  -0.306
  299   1HA   GLY  42           HAS      GLY  42   7.679  -3.270  -2.187
  300   2HA   GLY  42           HAR      GLY  42   8.706  -4.078  -0.973
  301    H    LYS  43           HN       LYS  43   6.430  -3.852   1.017
  302    HA   LYS  43           HA       LYS  43   5.638  -6.552   0.714
  303   1HB   LYS  43           HBS      LYS  43   5.532  -4.580   2.734
  304   2HB   LYS  43           HBR      LYS  43   3.850  -5.126   2.474
  305   1HG   LYS  43           HGR      LYS  43   5.961  -7.234   2.691
  306   2HG   LYS  43           HGS      LYS  43   5.529  -6.346   4.180
  307   1HD   LYS  43           HDS      LYS  43   3.149  -6.894   3.766
  308   2HD   LYS  43           HDR      LYS  43   3.630  -7.832   2.380
  309   1HE   LYS  43           HES      LYS  43   5.042  -8.542   4.860
  310   2HE   LYS  43           HER      LYS  43   3.280  -8.837   4.852
  311   1HZ   LYS  43           HZB      LYS  43   4.509  -9.669   2.451
  312   2HZ   LYS  43           HZC      LYS  43   5.181 -10.415   3.739
  313   3HZ   LYS  43           HZA      LYS  43   3.571 -10.518   3.484
  314    H    SER  44           HN       SER  44   3.990  -7.491  -0.245
  315    HA   SER  44           HA       SER  44   1.791  -5.867  -1.375
  316   1HB   SER  44           HBS      SER  44   1.107  -7.814  -2.550
  317   2HB   SER  44           HBR      SER  44   2.870  -7.627  -2.776
  318    HG   SER  44           HG       SER  44   1.314  -9.413  -1.106
  319    H    LEU  45           HN       LEU  45   0.236  -5.380  -0.039
  320    HA   LEU  45           HA       LEU  45  -0.738  -7.441   1.858
  321   1HB   LEU  45           HBR      LEU  45  -1.148  -5.390   3.413
  322   2HB   LEU  45           HBS      LEU  45   0.435  -6.216   3.380
  323    HG   LEU  45           HG       LEU  45   1.162  -4.359   1.764
  324   1HD1  LEU  45           HMD      LEU  45  -1.402  -3.636   1.681
  325   2HD1  LEU  45           HMD      LEU  45  -0.916  -2.687   3.109
  326   3HD1  LEU  45           HMD      LEU  45  -0.078  -2.450   1.554
  327   1HD2  LEU  45           HMD      LEU  45   1.170  -4.702   4.531
  328   2HD2  LEU  45           HMD      LEU  45   2.187  -3.577   3.594
  329   3HD2  LEU  45           HMD      LEU  45   0.652  -3.012   4.302
  330    H    GLU  46           HN       GLU  46  -2.788  -6.057   2.951
  331    HA   GLU  46           HA       GLU  46  -4.576  -5.854   0.562
  332   1HB   GLU  46           HBR      GLU  46  -4.533  -7.621   2.992
  333   2HB   GLU  46           HBS      GLU  46  -6.003  -7.173   2.318
  334   1HG   GLU  46           HGS      GLU  46  -5.867  -8.945   1.013
  335   2HG   GLU  46           HGR      GLU  46  -4.785  -7.966  -0.014
  336    H    SER  47           HN       SER  47  -6.962  -5.725   1.848
  337    HA   SER  47           HA       SER  47  -7.036  -2.893   2.306
  338   1HB   SER  47           HBS      SER  47  -9.392  -4.494   3.093
  339   2HB   SER  47           HBR      SER  47  -9.259  -3.057   2.038
  340    HG   SER  47           HG       SER  47  -9.942  -5.232   1.166
  341    H    THR  48           HN       THR  48  -8.540  -2.150   4.207
  342    HA   THR  48           HA       THR  48  -8.335  -1.391   6.353
  343    HB   THR  48           HB       THR  48  -8.654  -3.043   8.084
  344    HG1  THR  48           HG1      THR  48  -7.857  -4.666   8.089
  345   1HG2  THR  48           HMG      THR  48  -9.900  -4.053   5.516
  346   2HG2  THR  48           HMG      THR  48 -10.345  -4.618   7.147
  347   3HG2  THR  48           HMG      THR  48 -10.602  -2.914   6.693
  348    H    THR  49           HN       THR  49  -5.806  -1.915   4.718
  349    HA   THR  49           HA       THR  49  -3.956  -1.244   6.806
  350    HB   THR  49           HB       THR  49  -2.279  -3.137   6.090
  351    HG1  THR  49           HG1      THR  49  -3.121  -4.846   5.536
  352   1HG2  THR  49           HMG      THR  49  -3.935  -2.918   8.273
  353   2HG2  THR  49           HMG      THR  49  -4.311  -4.549   7.661
  354   3HG2  THR  49           HMG      THR  49  -2.631  -4.116   8.069
  355    H    LEU  50           HN       LEU  50  -4.998  -0.001   4.518
  356    HA   LEU  50           HA       LEU  50  -2.574   0.165   2.792
  357   1HB   LEU  50           HBS      LEU  50  -4.055   0.432   0.928
  358   2HB   LEU  50           HBR      LEU  50  -4.498  -1.041   1.837
  359    HG   LEU  50           HG       LEU  50  -6.205   0.789   2.915
  360   1HD1  LEU  50           HMD      LEU  50  -5.205   2.032   0.592
  361   2HD1  LEU  50           HMD      LEU  50  -6.818   1.410   0.161
  362   3HD1  LEU  50           HMD      LEU  50  -6.628   2.503   1.555
  363   1HD2  LEU  50           HMD      LEU  50  -6.207  -1.432   1.039
  364   2HD2  LEU  50           HMD      LEU  50  -7.374  -1.019   2.320
  365   3HD2  LEU  50           HMD      LEU  50  -7.533  -0.290   0.702
  366    H    ALA  51           HN       ALA  51  -2.686   2.241   1.422
  367    HA   ALA  51           HA       ALA  51  -4.189   4.459   2.390
  368   1HB   ALA  51           HMB      ALA  51  -2.311   4.201   4.130
  369   2HB   ALA  51           HMB      ALA  51  -1.233   4.810   2.848
  370   3HB   ALA  51           HMB      ALA  51  -2.597   5.807   3.413
  371    H    ASP  52           HN       ASP  52  -4.677   5.372   0.552
  372    HA   ASP  52           HA       ASP  52  -2.823   5.121  -1.686
  373   1HB   ASP  52           HBS      ASP  52  -4.721   5.681  -3.091
  374   2HB   ASP  52           HBR      ASP  52  -5.057   4.314  -1.990
  375    H    LYS  53           HN       LYS  53  -2.812   6.930  -3.321
  376    HA   LYS  53           HA       LYS  53  -3.587   9.524  -2.767
  377   1HB   LYS  53           HBR      LYS  53  -1.403   8.969  -1.137
  378   2HB   LYS  53           HBS      LYS  53  -0.691   9.819  -2.538
  379   1HG   LYS  53           HGR      LYS  53  -3.148  10.963  -1.235
  380   2HG   LYS  53           HGS      LYS  53  -1.567  11.155  -0.425
  381   1HD   LYS  53           HDS      LYS  53  -0.725  12.016  -2.688
  382   2HD   LYS  53           HDR      LYS  53  -2.405  12.129  -3.135
  383   1HE   LYS  53           HES      LYS  53  -1.655  14.273  -2.371
  384   2HE   LYS  53           HER      LYS  53  -2.843  13.593  -1.224
  385   1HZ   LYS  53           HZC      LYS  53  -0.082  13.007  -0.680
  386   2HZ   LYS  53           HZA      LYS  53  -0.513  14.572  -0.497
  387   3HZ   LYS  53           HZB      LYS  53  -1.290  13.408   0.345
  388    H    ASP  54           HN       ASP  54  -3.614  10.527  -4.642
  389    HA   ASP  54           HA       ASP  54  -3.083  11.241  -6.726
  390   1HB   ASP  54           HBR      ASP  54  -0.361  10.818  -5.514
  391   2HB   ASP  54           HBS      ASP  54  -0.622  11.582  -7.109
  392    H    GLY  55           HN       GLY  55  -3.445   8.292  -6.229
  393   1HA   GLY  55           HAR      GLY  55  -4.015   6.810  -7.957
  394   2HA   GLY  55           HAS      GLY  55  -2.829   7.608  -9.024
  395    H    GLU  56           HN       GLU  56  -0.918   7.435  -6.580
  396    HA   GLU  56           HA       GLU  56  -0.185   4.551  -6.872
  397   1HB   GLU  56           HBR      GLU  56   1.356   6.644  -7.527
  398   2HB   GLU  56           HBS      GLU  56   1.572   6.717  -5.865
  399   1HG   GLU  56           HGS      GLU  56   3.293   5.374  -7.228
  400   2HG   GLU  56           HGR      GLU  56   2.787   4.719  -5.647
  401    H    ILE  57           HN       ILE  57   0.942   3.777  -4.835
  402    HA   ILE  57           HA       ILE  57  -0.745   4.564  -2.513
  403    HB   ILE  57           HB       ILE  57  -1.531   2.235  -2.355
  404   1HG1  ILE  57           HG1      ILE  57  -0.155   1.695  -5.010
  405   2HG1  ILE  57           HG1      ILE  57   0.568   1.297  -3.426
  406   1HG2  ILE  57           HMG      ILE  57  -2.905   3.778  -3.630
  407   2HG2  ILE  57           HMG      ILE  57  -2.002   3.381  -5.116
  408   3HG2  ILE  57           HMG      ILE  57  -2.995   2.134  -4.315
  409   1HD1  ILE  57           HMD      ILE  57  -2.166   0.271  -4.142
  410   2HD1  ILE  57           HMD      ILE  57  -0.701  -0.537  -4.762
  411   3HD1  ILE  57           HMD      ILE  57  -0.963  -0.391  -3.004
  412    OH   TYR  58           OH       TYR  58   0.963   8.706   2.811
  413    H    TYR  58           HN       TYR  58   0.003   4.035  -0.526
  414    HA   TYR  58           HA       TYR  58   2.088   1.993  -0.346
  415   1HB   TYR  58           HBR      TYR  58   3.238   3.199   1.531
  416   2HB   TYR  58           HBS      TYR  58   3.486   3.921  -0.083
  417    HD1  TYR  58           HD1      TYR  58   1.552   5.802  -0.626
  418    HD2  TYR  58           HD2      TYR  58   2.970   4.714   3.233
  419    HE1  TYR  58           HE1      TYR  58   0.796   7.968   0.256
  420    HE2  TYR  58           HE2      TYR  58   2.208   6.867   4.130
  421    HH   TYR  58           HH       TYR  58   1.754   8.989   3.503
  422    H    CYS  59           HN       CYS  59   2.310   1.687   2.284
  423    HA   CYS  59           HA       CYS  59  -0.413   0.636   2.581
  424   1HB   CYS  59           HBR      CYS  59   0.491  -1.354   3.344
  425   2HB   CYS  59           HBS      CYS  59   1.450  -0.825   1.942
  426    H    LYS  60           HN       LYS  60  -0.997  -0.234   4.790
  427    HA   LYS  60           HA       LYS  60  -0.780   1.960   6.773
  428   1HB   LYS  60           HBS      LYS  60  -2.952   0.617   6.255
  429   2HB   LYS  60           HBR      LYS  60  -2.177  -0.676   7.214
  430   1HG   LYS  60           HGR      LYS  60  -1.868   1.557   8.826
  431   2HG   LYS  60           HGS      LYS  60  -3.473   1.817   8.084
  432   1HD   LYS  60           HDS      LYS  60  -3.481  -0.866   8.793
  433   2HD   LYS  60           HDR      LYS  60  -2.609  -0.101  10.093
  434   1HE   LYS  60           HES      LYS  60  -5.433   0.340   9.225
  435   2HE   LYS  60           HER      LYS  60  -4.762  -0.008  10.844
  436   1HZ   LYS  60           HZB      LYS  60  -3.623   2.313  10.232
  437   2HZ   LYS  60           HZC      LYS  60  -5.073   2.498   9.503
  438   3HZ   LYS  60           HZA      LYS  60  -4.999   2.168  11.101
  439    H    GLY  61           HN       GLY  61   0.618  -1.040   5.836
  440   1HA   GLY  61           HAR      GLY  61   2.049  -1.724   8.202
  441   2HA   GLY  61           HAS      GLY  61   2.574  -2.024   6.524
  442    H    CYS  62           HN       CYS  62   2.111   1.082   6.236
  443    HA   CYS  62           HA       CYS  62   4.927   1.653   6.882
  444   1HB   CYS  62           HBS      CYS  62   3.094   2.071   4.615
  445   2HB   CYS  62           HBR      CYS  62   4.115   3.484   5.002
  446    OH   TYR  63           OH       TYR  63  -1.614  10.039   9.677
  447    H    TYR  63           HN       TYR  63   1.824   3.398   6.540
  448    HA   TYR  63           HA       TYR  63   2.426   5.613   8.180
  449   1HB   TYR  63           HBS      TYR  63   0.369   5.174   6.701
  450   2HB   TYR  63           HBR      TYR  63  -0.282   4.263   8.093
  451    HD1  TYR  63           HD2      TYR  63   1.583   7.501   7.810
  452    HD2  TYR  63           HD1      TYR  63  -1.985   5.557   9.065
  453    HE1  TYR  63           HE2      TYR  63   0.711   9.646   8.623
  454    HE2  TYR  63           HE1      TYR  63  -2.862   7.695   9.903
  455    HH   TYR  63           HH       TYR  63  -2.322   9.785  10.464
  456    H    ALA  64           HN       ALA  64   2.006   2.277   8.934
  457    HA   ALA  64           HA       ALA  64   1.784   2.791  11.833
  458   1HB   ALA  64           HMB      ALA  64   0.626   0.866  10.782
  459   2HB   ALA  64           HMB      ALA  64   2.214   0.188  10.343
  460   3HB   ALA  64           HMB      ALA  64   1.778   0.400  12.058
  461    H    LYS  65           HN       LYS  65   4.026   0.933   9.736
  462    HA   LYS  65           HA       LYS  65   5.890   0.504  11.754
  463   1HB   LYS  65           HBS      LYS  65   5.780  -0.776   9.647
  464   2HB   LYS  65           HBR      LYS  65   6.448   0.632   8.772
  465   1HG   LYS  65           HGR      LYS  65   8.530   0.471  10.028
  466   2HG   LYS  65           HGS      LYS  65   7.864  -0.863  11.014
  467   1HD   LYS  65           HDS      LYS  65   7.590  -1.553   8.263
  468   2HD   LYS  65           HDR      LYS  65   9.208  -0.954   8.507
  469   1HE   LYS  65           HES      LYS  65   7.922  -3.143  10.135
  470   2HE   LYS  65           HER      LYS  65   9.085  -3.359   8.797
  471   1HZ   LYS  65           HZB      LYS  65   9.907  -1.588  10.905
  472   2HZ   LYS  65           HZC      LYS  65   9.789  -3.162  11.326
  473   3HZ   LYS  65           HZA      LYS  65  10.763  -2.717  10.092
  474    H    ASN  66           HN       ASN  66   5.333   3.342   9.902
  475    HA   ASN  66           HA       ASN  66   7.668   4.602  11.216
  476   1HB   ASN  66           HBR      ASN  66   7.076   4.407   8.313
  477   2HB   ASN  66           HBS      ASN  66   7.750   5.939   8.941
  478   1HD2  ASN  66           HD2      ASN  66   9.992   2.461   9.098
  479   2HD2  ASN  66           HD2      ASN  66   8.262   2.386   9.031
  480    H    PHE  67           HN       PHE  67   5.164   4.677  12.266
  481    HA   PHE  67           HA       PHE  67   3.780   7.045  11.436
  482   1HB   PHE  67           HBS      PHE  67   2.695   5.091  12.639
  483   2HB   PHE  67           HBR      PHE  67   3.486   5.668  14.135
  484    HD1  PHE  67           HD1      PHE  67   1.559   7.029  11.287
  485    HD2  PHE  67           HD2      PHE  67   2.170   7.129  15.503
  486    HE1  PHE  67           HE1      PHE  67  -0.309   8.606  11.499
  487    HE2  PHE  67           HE2      PHE  67   0.293   8.722  15.743
  488    HZ   PHE  67           HZ       PHE  67  -0.983   9.408  13.732
  489    H    GLY  68           HN       GLY  68   4.222   9.060  11.839
  490   1HA   GLY  68           HAR      GLY  68   4.828  10.999  12.940
  491   2HA   GLY  68           HAS      GLY  68   4.596  10.074  14.450
  492    HA   PRO  69           HA       PRO  69   9.271  10.280  13.017
  493   1HB   PRO  69           HBR      PRO  69   9.528  12.950  12.366
  494   2HB   PRO  69           HBS      PRO  69   9.923  11.655  11.438
  495   1HG   PRO  69           HGS      PRO  69   7.904  13.342  10.977
  496   2HG   PRO  69           HGR      PRO  69   8.137  11.878  10.211
  497   1HD   PRO  69           HDS      PRO  69   6.286  12.524  12.223
  498   2HD   PRO  69           HDR      PRO  69   6.261  11.245  11.174
  499    H    LYS  70           HN       LYS  70  11.066  11.319  14.145
  500    HA   LYS  70           HA       LYS  70  10.080  12.885  16.480
  501   1HB   LYS  70           HBS      LYS  70  12.291  10.805  16.450
  502   2HB   LYS  70           HBR      LYS  70  11.984  11.959  17.779
  503   1HG   LYS  70           HGR      LYS  70  10.016   9.862  16.780
  504   2HG   LYS  70           HGS      LYS  70  11.050   9.703  18.229
  505   1HD   LYS  70           HDS      LYS  70   9.963  11.862  19.041
  506   2HD   LYS  70           HDR      LYS  70   8.809  11.643  17.754
  507   1HE   LYS  70           HES      LYS  70   9.332   9.492  19.790
  508   2HE   LYS  70           HER      LYS  70   8.136  10.799  20.023
  509   1HZ   LYS  70           HZC      LYS  70   7.202  10.058  17.854
  510   2HZ   LYS  70           HZA      LYS  70   8.149   8.730  17.945
  511   3HZ   LYS  70           HZB      LYS  70   7.012   9.002  19.086
  512    H    GLY  71           HN       GLY  71  11.553  14.444  17.268
  513   1HA   GLY  71           HAS      GLY  71  12.800  15.831  15.047
  514   2HA   GLY  71           HAR      GLY  71  12.573  16.445  16.706
  515    H    PHE  72           HN       PHE  72  14.047  15.689  18.370
  516    HA   PHE  72           HA       PHE  72  16.638  14.670  17.312
  517   1HB   PHE  72           HBR      PHE  72  17.489  15.638  19.637
  518   2HB   PHE  72           HBS      PHE  72  17.418  16.654  18.167
  519    HD1  PHE  72           HD1      PHE  72  15.609  15.687  21.212
  520    HD2  PHE  72           HD2      PHE  72  15.995  18.640  18.165
  521    HE1  PHE  72           HE1      PHE  72  14.165  17.185  22.511
  522    HE2  PHE  72           HE2      PHE  72  14.539  20.168  19.454
  523    HZ   PHE  72           HZ       PHE  72  13.677  19.449  21.663
  524    H    GLY  73           HN       GLY  73  17.800  13.277  18.759
  525   1HA   GLY  73           HAS      GLY  73  16.106  11.954  20.837
  526   2HA   GLY  73           HAR      GLY  73  17.216  11.031  19.789
  527    H    PHE  74           HN       PHE  74  18.782  10.358  21.102
  528    HA   PHE  74           HA       PHE  74  20.646  12.389  22.024
  529   1HB   PHE  74           HBS      PHE  74  20.172  10.247  24.076
  530   2HB   PHE  74           HBR      PHE  74  20.844  11.893  24.257
  531    HD1  PHE  74           HD2      PHE  74  17.545  10.189  23.464
  532    HD2  PHE  74           HD1      PHE  74  19.608  13.545  25.090
  533    HE1  PHE  74           HE2      PHE  74  15.404  11.083  24.321
  534    HE2  PHE  74           HE1      PHE  74  17.498  14.451  25.953
  535    HZ   PHE  74           HZ       PHE  74  15.403  13.192  25.623
  536    H    GLY  75           HN       GLY  75  22.632  11.793  21.566
  537   1HA   GLY  75           HAR      GLY  75  24.059   9.661  22.200
  538   2HA   GLY  75           HAS      GLY  75  23.226   9.003  20.766
  539    H    GLN  76           HN       GLN  76  25.767  10.984  21.946
  540    HA   GLN  76           HA       GLN  76  26.516  11.781  19.186
  541   1HB   GLN  76           HBR      GLN  76  26.593  13.591  20.853
  542   2HB   GLN  76           HBS      GLN  76  27.787  12.651  21.792
  543   1HG   GLN  76           HGS      GLN  76  29.358  12.750  19.939
  544   2HG   GLN  76           HGR      GLN  76  28.158  13.619  18.942
  545   1HE2  GLN  76           HE2      GLN  76  29.514  16.637  19.878
  546   2HE2  GLN  76           HE2      GLN  76  28.930  15.572  18.644
  547    H    GLY  77           HN       GLY  77  28.168  10.873  18.177
  548   1HA   GLY  77           HAS      GLY  77  30.417   9.738  18.708
  549   2HA   GLY  77           HAR      GLY  77  29.403   8.490  19.480
  550    H    ALA  78           HN       ALA  78  29.710  10.307  16.406
  551    HA   ALA  78           HA       ALA  78  30.215   7.965  14.914
  552   1HB   ALA  78           HMB      ALA  78  27.436   8.473  15.305
  553   2HB   ALA  78           HMB      ALA  78  27.836   8.807  13.601
  554   3HB   ALA  78           HMB      ALA  78  28.224   7.220  14.313
  555    H    GLY  79           HN       GLY  79  31.371   8.558  13.233
  556   1HA   GLY  79           HAS      GLY  79  31.064  10.986  11.697
  557   2HA   GLY  79           HAR      GLY  79  32.276  11.171  12.992
  558    H    ALA  80           HN       ALA  80  32.481  11.040  10.001
  559    HA   ALA  80           HA       ALA  80  34.019   8.629   9.504
  560   1HB   ALA  80           HMB      ALA  80  32.636  10.507   7.971
  561   2HB   ALA  80           HMB      ALA  80  34.350  10.742   7.546
  562   3HB   ALA  80           HMB      ALA  80  33.605   9.131   7.386
  563    H    LEU  81           HN       LEU  81  36.014   9.719   7.834
  564    HA   LEU  81           HA       LEU  81  38.265  10.066   7.976
  565   1HB   LEU  81           HBR      LEU  81  37.235  12.347   8.602
  566   2HB   LEU  81           HBS      LEU  81  37.723  11.944  10.273
  567    HG   LEU  81           HG       LEU  81  39.839  11.720   8.214
  568   1HD1  LEU  81           HMD      LEU  81  38.198  14.063   8.347
  569   2HD1  LEU  81           HMD      LEU  81  39.787  14.437   9.059
  570   3HD1  LEU  81           HMD      LEU  81  39.684  13.788   7.404
  571   1HD2  LEU  81           HMD      LEU  81  39.426  12.431  11.076
  572   2HD2  LEU  81           HMD      LEU  81  40.673  11.414  10.311
  573   3HD2  LEU  81           HMD      LEU  81  40.806  13.189  10.242
  574    H    ILE  82           HN       ILE  82  39.198   8.257   8.579
  575    HA   ILE  82           HA       ILE  82  39.772   7.967  11.476
  576    HB   ILE  82           HB       ILE  82  39.805   5.491  11.206
  577   1HG1  ILE  82           HG1      ILE  82  38.221   4.999   8.949
  578   2HG1  ILE  82           HG1      ILE  82  39.398   6.230   8.408
  579   1HG2  ILE  82           HMG      ILE  82  37.705   6.912  11.870
  580   2HG2  ILE  82           HMG      ILE  82  37.052   6.274  10.338
  581   3HG2  ILE  82           HMG      ILE  82  37.579   5.150  11.619
  582   1HD1  ILE  82           HMD      ILE  82  41.230   4.771   9.249
  583   2HD1  ILE  82           HMD      ILE  82  40.013   3.524   9.628
  584   3HD1  ILE  82           HMD      ILE  82  40.271   4.035   7.938
  585    H    HIS  83           HN       HIS  83  41.848   7.953  11.910
  586    HA   HIS  83           HA       HIS  83  43.771   7.794   9.704
  587   1HB   HIS  83           HBR      HIS  83  43.922   9.613  11.451
  588   2HB   HIS  83           HBS      HIS  83  44.360   8.352  12.640
  589    HD1  HIS  83           HD1      HIS  83  45.645   9.253   9.100
  590    HD2  HIS  83           HD2      HIS  83  47.017   8.287  12.912
  591    HE1  HIS  83           HE1      HIS  83  48.145   9.411   9.013
  592    HE2  HIS  83           HE2      HIS  83  48.980   8.849  11.323
  593    H    SER  84           HN       SER  84  43.045   6.140  12.771
  594    HA   SER  84           HA       SER  84  44.552   3.804  11.710
  595   1HB   SER  84           HBR      SER  84  44.023   4.043  14.646
  596   2HB   SER  84           HBS      SER  84  45.312   3.178  13.759
  597    HG   SER  84           HG       SER  84  44.941   6.053  13.994
  598    H    GLN  85           HN       GLN  85  43.602   1.781  12.024
  599    HA   GLN  85           HA       GLN  85  40.975   1.661  13.294
  600   1HB   GLN  85           HBR      GLN  85  40.999   1.873  10.539
  601   2HB   GLN  85           HBS      GLN  85  40.908   0.112  10.825
  602   1HG   GLN  85           HGS      GLN  85  39.075   1.031  12.615
  603   2HG   GLN  85           HGR      GLN  85  38.920   2.241  11.310
  604   1HE2  GLN  85           HE2      GLN  85  37.379  -1.482  10.980
  605   2HE2  GLN  85           HE2      GLN  85  38.130  -0.872  12.417
   
  Start of MODEL           8
 Raw file had  605 H/Q atoms
  Start of MODEL    8
    1   1H    MET   1           HNB      MET   1  -9.370  -6.692 -28.544
    2   2H    MET   1           HNC      MET   1 -10.300  -5.458 -29.074
    3   3H    MET   1           HN       MET   1  -8.673  -5.322 -29.098
    4    HA   MET   1           HA       MET   1  -8.493  -5.289 -26.792
    5   1HB   MET   1           HBS      MET   1 -10.462  -3.418 -28.076
    6   2HB   MET   1           HBR      MET   1 -10.170  -3.326 -26.321
    7   1HG   MET   1           HGS      MET   1  -8.583  -1.813 -27.199
    8   2HG   MET   1           HGR      MET   1  -7.651  -3.304 -26.931
    9   1HE   MET   1           HME      MET   1  -6.370  -1.490 -28.403
   10   2HE   MET   1           HME      MET   1  -5.681  -2.939 -29.175
   11   3HE   MET   1           HME      MET   1  -6.283  -1.596 -30.179
   12    H    ALA   2           HN       ALA   2  -9.897  -4.859 -24.757
   13    HA   ALA   2           HA       ALA   2 -11.590  -7.145 -24.245
   14   1HB   ALA   2           HMB      ALA   2 -10.294  -5.119 -22.753
   15   2HB   ALA   2           HMB      ALA   2 -12.037  -4.991 -22.410
   16   3HB   ALA   2           HMB      ALA   2 -11.192  -6.539 -22.158
   17    H    GLN   3           HN       GLN   3 -11.999  -4.065 -25.712
   18    HA   GLN   3           HA       GLN   3 -13.812  -2.933 -26.516
   19   1HB   GLN   3           HBR      GLN   3 -14.813  -5.570 -26.435
   20   2HB   GLN   3           HBS      GLN   3 -16.040  -4.527 -25.661
   21   1HG   GLN   3           HGS      GLN   3 -14.828  -3.589 -28.220
   22   2HG   GLN   3           HGR      GLN   3 -15.964  -4.965 -28.292
   23   1HE2  GLN   3           HE2      GLN   3 -18.585  -2.877 -26.678
   24   2HE2  GLN   3           HE2      GLN   3 -17.720  -4.322 -26.274
   25    H    LYS   4           HN       LYS   4 -15.581  -4.563 -23.921
   26    HA   LYS   4           HA       LYS   4 -14.844  -2.668 -21.904
   27   1HB   LYS   4           HBS      LYS   4 -17.524  -2.338 -23.247
   28   2HB   LYS   4           HBR      LYS   4 -17.307  -1.971 -21.512
   29   1HG   LYS   4           HGR      LYS   4 -15.390  -0.436 -22.227
   30   2HG   LYS   4           HGS      LYS   4 -15.986  -0.641 -23.899
   31   1HD   LYS   4           HDS      LYS   4 -18.196   0.013 -22.218
   32   2HD   LYS   4           HDR      LYS   4 -16.895   1.113 -21.855
   33   1HE   LYS   4           HES      LYS   4 -17.770   2.288 -23.552
   34   2HE   LYS   4           HER      LYS   4 -16.734   1.195 -24.514
   35   1HZ   LYS   4           HZC      LYS   4 -18.912  -0.244 -24.326
   36   2HZ   LYS   4           HZA      LYS   4 -19.602   1.235 -24.247
   37   3HZ   LYS   4           HZB      LYS   4 -18.675   0.834 -25.530
   38    H    VAL   5           HN       VAL   5 -14.839  -3.803 -20.121
   39    HA   VAL   5           HA       VAL   5 -17.108  -5.629 -19.601
   40    HB   VAL   5           HB       VAL   5 -14.222  -6.227 -18.920
   41   1HG1  VAL   5           HMG      VAL   5 -15.717  -7.038 -17.180
   42   2HG1  VAL   5           HMG      VAL   5 -16.718  -7.864 -18.399
   43   3HG1  VAL   5           HMG      VAL   5 -15.043  -8.395 -18.115
   44   1HG2  VAL   5           HMG      VAL   5 -15.805  -6.828 -21.264
   45   2HG2  VAL   5           HMG      VAL   5 -14.074  -7.097 -20.950
   46   3HG2  VAL   5           HMG      VAL   5 -15.270  -8.316 -20.447
   47    H    GLY   6           HN       GLY   6 -17.558  -5.923 -17.340
   48   1HA   GLY   6           HAS      GLY   6 -16.582  -3.698 -15.628
   49   2HA   GLY   6           HAR      GLY   6 -18.338  -3.958 -15.799
   50    H    GLY   7           HN       GLY   7 -19.273  -5.279 -14.404
   51   1HA   GLY   7           HAS      GLY   7 -19.117  -7.699 -13.457
   52   2HA   GLY   7           HAR      GLY   7 -17.565  -7.115 -12.801
   53    H    SER   8           HN       SER   8 -18.946  -7.856 -10.848
   54    HA   SER   8           HA       SER   8 -20.895  -6.045  -9.836
   55   1HB   SER   8           HBR      SER   8 -19.445  -8.417  -8.860
   56   2HB   SER   8           HBS      SER   8 -19.903  -7.236  -7.598
   57    HG   SER   8           HG       SER   8 -21.978  -7.394  -7.962
   58    H    ASP   9           HN       ASP   9 -17.580  -6.631  -8.606
   59    HA   ASP   9           HA       ASP   9 -17.118  -3.765  -8.731
   60   1HB   ASP   9           HBS      ASP   9 -16.680  -5.236  -6.131
   61   2HB   ASP   9           HBR      ASP   9 -16.099  -3.592  -6.519
   62    H    GLY  10           HN       GLY  10 -15.539  -3.673 -10.093
   63   1HA   GLY  10           HAS      GLY  10 -13.826  -6.072 -10.356
   64   2HA   GLY  10           HAR      GLY  10 -14.330  -4.969 -11.665
   65    H    CYS  11           HN       CYS  11 -11.817  -5.473 -11.819
   66    HA   CYS  11           HA       CYS  11 -10.265  -3.565 -10.146
   67   1HB   CYS  11           HBS      CYS  11 -10.217  -6.119  -9.740
   68   2HB   CYS  11           HBR      CYS  11  -9.274  -6.181 -11.255
   69    HA   PRO  12           HA       PRO  12  -8.749  -1.904 -13.999
   70   1HB   PRO  12           HBR      PRO  12  -7.506   0.053 -12.608
   71   2HB   PRO  12           HBS      PRO  12  -8.920   0.212 -13.428
   72   1HG   PRO  12           HGS      PRO  12  -8.529   0.018 -10.674
   73   2HG   PRO  12           HGR      PRO  12  -9.850   0.622 -11.496
   74   1HD   PRO  12           HDS      PRO  12  -9.798  -1.736 -10.250
   75   2HD   PRO  12           HDR      PRO  12 -10.891  -1.315 -11.418
   76    NH1  ARG  13           NH1      ARG  13  -1.266  -0.544 -11.329
   77    NH2  ARG  13           NH2      ARG  13   0.238  -0.924  -9.635
   78    H    ARG  13           HN       ARG  13  -7.391  -3.318 -11.336
   79    HA   ARG  13           HA       ARG  13  -4.618  -2.711 -12.027
   80   1HB   ARG  13           HBR      ARG  13  -5.725  -3.117  -9.660
   81   2HB   ARG  13           HBS      ARG  13  -5.365  -4.826 -10.041
   82   1HG   ARG  13           HGS      ARG  13  -3.591  -3.785  -8.695
   83   2HG   ARG  13           HGR      ARG  13  -3.000  -4.294 -10.302
   84   1HD   ARG  13           HDS      ARG  13  -3.231  -2.008 -11.109
   85   2HD   ARG  13           HDR      ARG  13  -3.814  -1.500  -9.500
   86    HE   ARG  13           HE       ARG  13  -1.456  -2.547  -8.830
   87   1HH1  ARG  13           HH1      ARG  13  -2.150  -0.717 -11.762
   88   2HH1  ARG  13           HH1      ARG  13  -0.616   0.085 -11.756
   89   1HH2  ARG  13           HH2      ARG  13   0.490  -1.386  -8.784
   90   2HH2  ARG  13           HH2      ARG  13   0.879  -0.293 -10.070
   91    H    CYS  14           HN       CYS  14  -6.347  -5.806 -11.469
   92    HA   CYS  14           HA       CYS  14  -4.217  -7.143 -13.025
   93   1HB   CYS  14           HBS      CYS  14  -5.132  -9.230 -12.141
   94   2HB   CYS  14           HBR      CYS  14  -4.611  -8.087 -10.872
   95    H    GLY  15           HN       GLY  15  -7.413  -5.993 -13.344
   96   1HA   GLY  15           HAR      GLY  15  -8.539  -5.713 -15.383
   97   2HA   GLY  15           HAS      GLY  15  -7.390  -6.834 -16.161
   98    H    GLN  16           HN       GLN  16  -8.691  -7.861 -13.140
   99    HA   GLN  16           HA       GLN  16 -10.614  -9.682 -14.467
  100   1HB   GLN  16           HBS      GLN  16  -9.050  -9.841 -12.015
  101   2HB   GLN  16           HBR      GLN  16 -10.789 -10.144 -11.741
  102   1HG   GLN  16           HGS      GLN  16  -9.246 -11.520 -13.940
  103   2HG   GLN  16           HGR      GLN  16  -9.286 -12.150 -12.269
  104   1HE2  GLN  16           HE2      GLN  16 -12.506 -13.441 -12.408
  105   2HE2  GLN  16           HE2      GLN  16 -11.191 -12.940 -11.400
  106    H    ALA  17           HN       ALA  17 -12.501  -9.954 -12.555
  107    HA   ALA  17           HA       ALA  17 -13.233  -7.421 -11.386
  108   1HB   ALA  17           HMB      ALA  17 -14.582  -8.338 -13.836
  109   2HB   ALA  17           HMB      ALA  17 -15.677  -7.966 -12.480
  110   3HB   ALA  17           HMB      ALA  17 -14.536  -6.731 -13.069
  111    H    VAL  18           HN       VAL  18 -14.652  -7.666  -9.685
  112    HA   VAL  18           HA       VAL  18 -14.564 -10.433  -8.700
  113    HB   VAL  18           HB       VAL  18 -15.082  -8.041  -6.968
  114   1HG1  VAL  18           HMG      VAL  18 -13.683 -10.686  -6.532
  115   2HG1  VAL  18           HMG      VAL  18 -13.729  -9.358  -5.347
  116   3HG1  VAL  18           HMG      VAL  18 -15.240 -10.147  -5.859
  117   1HG2  VAL  18           HMG      VAL  18 -12.796  -8.271  -8.644
  118   2HG2  VAL  18           HMG      VAL  18 -13.142  -7.071  -7.375
  119   3HG2  VAL  18           HMG      VAL  18 -12.289  -8.579  -6.966
  120    OH   TYR  19           OH       TYR  19 -22.912 -14.812  -8.795
  121    H    TYR  19           HN       TYR  19 -16.252 -11.031  -7.055
  122    HA   TYR  19           HA       TYR  19 -18.915 -10.406  -7.980
  123   1HB   TYR  19           HBR      TYR  19 -17.681 -12.548  -6.700
  124   2HB   TYR  19           HBS      TYR  19 -18.751 -11.861  -5.444
  125    HD1  TYR  19           HD2      TYR  19 -18.625 -13.482  -8.748
  126    HD2  TYR  19           HD1      TYR  19 -21.181 -11.986  -5.695
  127    HE1  TYR  19           HE2      TYR  19 -20.505 -14.720  -9.726
  128    HE2  TYR  19           HE1      TYR  19 -23.078 -13.198  -6.681
  129    HH   TYR  19           HH       TYR  19 -23.344 -14.148  -9.542
  130    H    ALA  20           HN       ALA  20 -17.789  -8.050  -7.181
  131    HA   ALA  20           HA       ALA  20 -18.199  -6.179  -5.926
  132   1HB   ALA  20           HMB      ALA  20 -20.618  -7.672  -5.787
  133   2HB   ALA  20           HMB      ALA  20 -20.277  -7.017  -4.165
  134   3HB   ALA  20           HMB      ALA  20 -20.363  -5.922  -5.568
  135    H    ALA  21           HN       ALA  21 -16.409  -8.351  -5.146
  136    HA   ALA  21           HA       ALA  21 -16.952  -8.903  -2.353
  137   1HB   ALA  21           HMB      ALA  21 -16.120 -10.456  -4.306
  138   2HB   ALA  21           HMB      ALA  21 -14.514  -9.888  -3.784
  139   3HB   ALA  21           HMB      ALA  21 -15.583 -10.719  -2.627
  140    H    GLU  22           HN       GLU  22 -13.911  -7.966  -4.023
  141    HA   GLU  22           HA       GLU  22 -12.744  -7.767  -1.365
  142   1HB   GLU  22           HBS      GLU  22 -10.693  -7.725  -2.692
  143   2HB   GLU  22           HBR      GLU  22 -11.606  -9.119  -2.878
  144   1HG   GLU  22           HGS      GLU  22 -10.482  -7.814  -4.900
  145   2HG   GLU  22           HGR      GLU  22 -12.020  -8.668  -5.190
  146    H    LYS  23           HN       LYS  23 -14.121  -5.483  -3.326
  147    HA   LYS  23           HA       LYS  23 -11.989  -4.104  -4.374
  148   1HB   LYS  23           HBR      LYS  23 -13.505  -2.334  -4.998
  149   2HB   LYS  23           HBS      LYS  23 -14.316  -3.914  -5.181
  150   1HG   LYS  23           HGR      LYS  23 -14.740  -1.873  -2.965
  151   2HG   LYS  23           HGS      LYS  23 -15.884  -2.324  -4.262
  152   1HD   LYS  23           HDS      LYS  23 -15.886  -4.650  -3.349
  153   2HD   LYS  23           HDR      LYS  23 -14.917  -4.079  -2.018
  154   1HE   LYS  23           HES      LYS  23 -16.649  -3.206  -0.939
  155   2HE   LYS  23           HER      LYS  23 -17.276  -2.438  -2.425
  156   1HZ   LYS  23           HZC      LYS  23 -18.036  -4.726  -3.026
  157   2HZ   LYS  23           HZA      LYS  23 -17.729  -5.176  -1.486
  158   3HZ   LYS  23           HZB      LYS  23 -18.837  -4.015  -1.793
  159    H    VAL  24           HN       VAL  24 -10.498  -2.815  -3.617
  160    HA   VAL  24           HA       VAL  24 -11.113  -1.004  -1.343
  161    HB   VAL  24           HB       VAL  24  -8.691  -0.371  -1.551
  162   1HG1  VAL  24           HMG      VAL  24  -9.866  -2.653  -0.301
  163   2HG1  VAL  24           HMG      VAL  24  -8.217  -3.075  -0.822
  164   3HG1  VAL  24           HMG      VAL  24  -8.485  -1.664   0.231
  165   1HG2  VAL  24           HMG      VAL  24  -8.827  -2.167  -3.799
  166   2HG2  VAL  24           HMG      VAL  24  -7.521  -1.069  -3.292
  167   3HG2  VAL  24           HMG      VAL  24  -7.602  -2.721  -2.632
  168    H    ILE  25           HN       ILE  25 -10.187   1.256  -1.762
  169    HA   ILE  25           HA       ILE  25 -10.087   2.004  -4.604
  170    HB   ILE  25           HB       ILE  25 -11.928   3.377  -2.584
  171   1HG1  ILE  25           HG1      ILE  25 -13.439   2.790  -4.806
  172   2HG1  ILE  25           HG1      ILE  25 -12.307   1.409  -4.759
  173   1HG2  ILE  25           HMG      ILE  25 -10.606   4.461  -4.900
  174   2HG2  ILE  25           HMG      ILE  25 -12.373   4.448  -5.140
  175   3HG2  ILE  25           HMG      ILE  25 -11.673   5.260  -3.714
  176   1HD1  ILE  25           HMD      ILE  25 -12.996   1.278  -2.244
  177   2HD1  ILE  25           HMD      ILE  25 -14.406   2.235  -2.773
  178   3HD1  ILE  25           HMD      ILE  25 -14.087   0.637  -3.501
  179    H    GLY  26           HN       GLY  26  -8.902   3.889  -4.994
  180   1HA   GLY  26           HAR      GLY  26  -7.916   5.490  -2.768
  181   2HA   GLY  26           HAS      GLY  26  -6.632   4.606  -3.634
  182    H    ALA  27           HN       ALA  27  -7.854   7.526  -3.416
  183    HA   ALA  27           HA       ALA  27  -7.645   9.411  -4.708
  184   1HB   ALA  27           HMB      ALA  27  -5.862   7.508  -5.976
  185   2HB   ALA  27           HMB      ALA  27  -6.626   8.588  -7.170
  186   3HB   ALA  27           HMB      ALA  27  -5.722   9.276  -5.797
  187    H    GLY  28           HN       GLY  28  -7.965   7.140  -7.415
  188   1HA   GLY  28           HAS      GLY  28 -10.882   7.536  -7.512
  189   2HA   GLY  28           HAR      GLY  28  -9.963   8.079  -8.941
  190    H    LYS  29           HN       LYS  29  -8.644   5.455  -7.113
  191    HA   LYS  29           HA       LYS  29  -9.110   3.695  -9.441
  192   1HB   LYS  29           HBS      LYS  29  -7.016   3.881  -7.290
  193   2HB   LYS  29           HBR      LYS  29  -7.285   2.337  -8.150
  194   1HG   LYS  29           HGR      LYS  29  -6.729   4.965  -9.572
  195   2HG   LYS  29           HGS      LYS  29  -5.446   3.822  -9.080
  196   1HD   LYS  29           HDS      LYS  29  -6.584   2.054 -10.403
  197   2HD   LYS  29           HDR      LYS  29  -7.733   3.246 -10.949
  198   1HE   LYS  29           HES      LYS  29  -4.839   3.827 -11.349
  199   2HE   LYS  29           HER      LYS  29  -5.647   2.620 -12.389
  200   1HZ   LYS  29           HZC      LYS  29  -6.771   5.289 -11.964
  201   2HZ   LYS  29           HZA      LYS  29  -5.674   5.001 -13.140
  202   3HZ   LYS  29           HZB      LYS  29  -7.110   4.222 -13.153
  203    H    SER  30           HN       SER  30  -9.175   1.326  -8.944
  204    HA   SER  30           HA       SER  30 -10.131   0.604  -6.285
  205   1HB   SER  30           HBR      SER  30 -12.246   1.030  -7.445
  206   2HB   SER  30           HBS      SER  30 -11.766  -0.111  -8.732
  207    HG   SER  30           HG       SER  30 -12.695  -1.563  -7.660
  208    CH2  TRP  31           CH2      TRP  31  -3.206   1.185  -6.740
  209    H    TRP  31           HN       TRP  31  -9.818  -1.573  -5.797
  210    HA   TRP  31           HA       TRP  31  -8.121  -3.101  -7.679
  211   1HB   TRP  31           HBS      TRP  31  -7.085  -2.781  -4.915
  212   2HB   TRP  31           HBR      TRP  31  -6.227  -3.021  -6.462
  213    HD1  TRP  31           HD1      TRP  31  -8.435  -0.054  -5.178
  214    HE1  TRP  31           HE1      TRP  31  -7.091   2.117  -5.467
  215    HE3  TRP  31           HE3      TRP  31  -4.046  -2.100  -6.729
  216    HZ2  TRP  31           HZ2      TRP  31  -4.483   2.832  -6.213
  217    HZ3  TRP  31           HZ3      TRP  31  -2.158  -0.611  -7.202
  218    HH2  TRP  31           HH2      TRP  31  -2.357   1.806  -6.939
  219    H    HIS  32           HN       ZHI  32  -7.361  -5.168  -6.498
  220    HA   HIS  32           HA       ZHI  32  -9.547  -6.283  -4.830
  221   1HB   HIS  32           HBS      ZHI  32  -7.118  -7.655  -6.082
  222   2HB   HIS  32           HBR      ZHI  32  -8.216  -8.431  -4.907
  223    HD2  HIS  32           HD2      ZHI  32 -10.454  -9.509  -5.953
  224    HE1  HIS  32           HE1      ZHI  32  -9.772  -8.393  -9.955
  225    HE2  HIS  32           HE2      ZHI  32 -11.197  -9.786  -8.415
  226    H    LYS  33           HN       LYS  33  -8.943  -7.335  -2.843
  227    HA   LYS  33           HA       LYS  33  -7.264  -5.738  -1.223
  228   1HB   LYS  33           HBR      LYS  33  -7.607  -7.520   0.497
  229   2HB   LYS  33           HBS      LYS  33  -9.104  -6.851  -0.214
  230   1HG   LYS  33           HGR      LYS  33  -9.666  -9.059  -0.301
  231   2HG   LYS  33           HGS      LYS  33  -8.771  -8.967  -1.845
  232   1HD   LYS  33           HDS      LYS  33  -7.718 -10.758  -1.036
  233   2HD   LYS  33           HDR      LYS  33  -6.724  -9.523  -0.311
  234   1HE   LYS  33           HES      LYS  33  -8.971 -10.115   1.400
  235   2HE   LYS  33           HER      LYS  33  -8.044 -11.585   0.988
  236   1HZ   LYS  33           HZB      LYS  33  -6.565  -9.218   1.760
  237   2HZ   LYS  33           HZC      LYS  33  -7.348 -10.034   2.939
  238   3HZ   LYS  33           HZA      LYS  33  -6.227 -10.793   2.026
  239    H    SER  34           HN       SER  34  -6.662  -8.614  -3.099
  240    HA   SER  34           HA       SER  34  -4.124  -9.214  -1.716
  241   1HB   SER  34           HBS      SER  34  -5.717 -10.549  -3.880
  242   2HB   SER  34           HBR      SER  34  -3.971 -10.890  -3.702
  243    HG   SER  34           HG       SER  34  -5.497 -12.350  -2.638
  244    H    CYS  35           HN       CYS  35  -5.409  -7.312  -4.257
  245    HA   CYS  35           HA       CYS  35  -3.038  -7.394  -5.919
  246   1HB   CYS  35           HBS      CYS  35  -5.745  -6.159  -6.045
  247   2HB   CYS  35           HBR      CYS  35  -4.436  -5.395  -6.991
  248    H    PHE  36           HN       PHE  36  -4.083  -5.571  -3.218
  249    HA   PHE  36           HA       PHE  36  -3.015  -3.066  -3.859
  250   1HB   PHE  36           HBR      PHE  36  -4.391  -4.114  -1.657
  251   2HB   PHE  36           HBS      PHE  36  -2.814  -3.607  -0.987
  252    HD1  PHE  36           HD2      PHE  36  -2.086  -1.139  -2.230
  253    HD2  PHE  36           HD1      PHE  36  -6.027  -2.635  -1.637
  254    HE1  PHE  36           HE2      PHE  36  -2.938   1.181  -2.095
  255    HE2  PHE  36           HE1      PHE  36  -6.894  -0.346  -1.454
  256    HZ   PHE  36           HZ       PHE  36  -5.356   1.565  -1.701
  257    NH1  ARG  37           NH1      ARG  37  -0.091  -8.025  -6.962
  258    NH2  ARG  37           NH2      ARG  37   1.910  -9.060  -7.409
  259    H    ARG  37           HN       ARG  37  -1.025  -2.620  -4.389
  260    HA   ARG  37           HA       ARG  37   1.183  -4.140  -3.094
  261   1HB   ARG  37           HBS      ARG  37   0.484  -3.734  -5.827
  262   2HB   ARG  37           HBR      ARG  37   2.004  -2.847  -5.512
  263   1HG   ARG  37           HGS      ARG  37   2.725  -4.955  -6.205
  264   2HG   ARG  37           HGR      ARG  37   2.815  -5.046  -4.423
  265   1HD   ARG  37           HDS      ARG  37   0.968  -6.402  -4.265
  266   2HD   ARG  37           HDR      ARG  37   0.329  -5.895  -5.853
  267    HE   ARG  37           HE       ARG  37   2.812  -7.513  -5.694
  268   1HH1  ARG  37           HH1      ARG  37  -0.621  -7.330  -6.475
  269   2HH1  ARG  37           HH1      ARG  37  -0.548  -8.652  -7.592
  270   1HH2  ARG  37           HH2      ARG  37   2.895  -9.149  -7.261
  271   2HH2  ARG  37           HH2      ARG  37   1.441  -9.681  -8.037
  272    H    CYS  38           HN       CYS  38   1.961  -2.914  -1.519
  273    HA   CYS  38           HA       CYS  38   2.448  -0.032  -1.726
  274   1HB   CYS  38           HBS      CYS  38   2.093  -1.239   0.435
  275   2HB   CYS  38           HBR      CYS  38   3.642  -2.083   0.151
  276    H    ALA  39           HN       ALA  39   3.798   0.651  -3.203
  277    HA   ALA  39           HA       ALA  39   6.337  -0.804  -3.675
  278   1HB   ALA  39           HMB      ALA  39   4.662   1.052  -5.183
  279   2HB   ALA  39           HMB      ALA  39   6.382   1.519  -5.170
  280   3HB   ALA  39           HMB      ALA  39   5.903  -0.101  -5.738
  281    H    LYS  40           HN       LYS  40   5.845   0.280  -1.095
  282    HA   LYS  40           HA       LYS  40   8.001   2.344  -1.022
  283   1HB   LYS  40           HBS      LYS  40   5.519   2.889  -0.324
  284   2HB   LYS  40           HBR      LYS  40   5.981   2.033   1.175
  285   1HG   LYS  40           HGR      LYS  40   7.400   3.691   1.852
  286   2HG   LYS  40           HGS      LYS  40   7.855   4.136   0.184
  287   1HD   LYS  40           HDS      LYS  40   5.660   5.205  -0.116
  288   2HD   LYS  40           HDR      LYS  40   5.242   4.790   1.524
  289   1HE   LYS  40           HES      LYS  40   7.569   6.553   0.772
  290   2HE   LYS  40           HER      LYS  40   5.951   7.117   1.277
  291   1HZ   LYS  40           HZA      LYS  40   7.362   5.255   2.993
  292   2HZ   LYS  40           HZB      LYS  40   7.859   6.811   2.983
  293   3HZ   LYS  40           HZC      LYS  40   6.318   6.448   3.386
  294    H    CYS  41           HN       CYS  41   6.458  -0.358   0.739
  295    HA   CYS  41           HA       CYS  41   9.148  -1.005   1.838
  296   1HB   CYS  41           HBR      CYS  41   8.061  -2.644   3.289
  297   2HB   CYS  41           HBS      CYS  41   7.552  -0.967   3.622
  298    H    GLY  42           HN       GLY  42   6.699  -1.710  -0.467
  299   1HA   GLY  42           HAS      GLY  42   7.338  -2.592  -2.580
  300   2HA   GLY  42           HAR      GLY  42   8.715  -3.422  -1.805
  301    H    LYS  43           HN       LYS  43   5.707  -3.588  -0.132
  302    HA   LYS  43           HA       LYS  43   5.757  -6.501  -0.613
  303   1HB   LYS  43           HBR      LYS  43   6.052  -5.251   1.685
  304   2HB   LYS  43           HBS      LYS  43   4.267  -5.187   1.638
  305   1HG   LYS  43           HGR      LYS  43   4.088  -7.567   1.627
  306   2HG   LYS  43           HGS      LYS  43   5.836  -7.765   1.311
  307   1HD   LYS  43           HDS      LYS  43   4.954  -6.360   3.795
  308   2HD   LYS  43           HDR      LYS  43   4.775  -8.090   3.696
  309   1HE   LYS  43           HES      LYS  43   6.951  -8.486   3.928
  310   2HE   LYS  43           HER      LYS  43   7.389  -7.175   2.796
  311   1HZ   LYS  43           HZC      LYS  43   6.497  -6.671   5.545
  312   2HZ   LYS  43           HZA      LYS  43   8.071  -6.861   5.149
  313   3HZ   LYS  43           HZB      LYS  43   7.213  -5.625   4.515
  314    H    SER  44           HN       SER  44   3.912  -7.721  -0.882
  315    HA   SER  44           HA       SER  44   1.406  -6.467  -1.742
  316   1HB   SER  44           HBR      SER  44   1.746  -9.341  -0.889
  317   2HB   SER  44           HBS      SER  44   0.554  -8.619  -2.008
  318    HG   SER  44           HG       SER  44   2.572  -9.949  -2.707
  319    H    LEU  45           HN       LEU  45  -0.386  -6.215  -0.516
  320    HA   LEU  45           HA       LEU  45   0.368  -5.679   2.286
  321   1HB   LEU  45           HBS      LEU  45  -0.902  -4.331   0.096
  322   2HB   LEU  45           HBR      LEU  45  -2.046  -4.421   1.461
  323    HG   LEU  45           HG       LEU  45   0.587  -2.969   1.271
  324   1HD1  LEU  45           HMD      LEU  45  -2.147  -2.315   1.062
  325   2HD1  LEU  45           HMD      LEU  45  -1.593  -1.676   2.631
  326   3HD1  LEU  45           HMD      LEU  45  -0.750  -1.210   1.131
  327   1HD2  LEU  45           HMD      LEU  45  -0.446  -4.363   3.587
  328   2HD2  LEU  45           HMD      LEU  45   1.040  -3.402   3.406
  329   3HD2  LEU  45           HMD      LEU  45  -0.492  -2.603   3.847
  330    H    GLU  46           HN       GLU  46  -2.068  -5.095   3.327
  331    HA   GLU  46           HA       GLU  46  -3.164  -7.852   3.738
  332   1HB   GLU  46           HBR      GLU  46  -2.456  -5.596   5.619
  333   2HB   GLU  46           HBS      GLU  46  -3.516  -6.826   6.041
  334   1HG   GLU  46           HGS      GLU  46  -0.611  -7.135   5.408
  335   2HG   GLU  46           HGR      GLU  46  -1.419  -7.616   6.924
  336    H    SER  47           HN       SER  47  -5.284  -7.787   4.926
  337    HA   SER  47           HA       SER  47  -7.273  -6.137   3.678
  338   1HB   SER  47           HBS      SER  47  -8.790  -7.019   5.349
  339   2HB   SER  47           HBR      SER  47  -7.809  -8.325   4.625
  340    HG   SER  47           HG       SER  47  -8.273  -8.167   7.048
  341    H    THR  48           HN       THR  48  -4.980  -5.620   6.166
  342    HA   THR  48           HA       THR  48  -6.199  -3.554   7.637
  343    HB   THR  48           HB       THR  48  -3.959  -2.828   8.249
  344    HG1  THR  48           HG1      THR  48  -2.320  -3.476   7.267
  345   1HG2  THR  48           HMG      THR  48  -4.618  -5.028   9.168
  346   2HG2  THR  48           HMG      THR  48  -3.790  -5.819   7.802
  347   3HG2  THR  48           HMG      THR  48  -2.855  -4.855   8.974
  348    H    THR  49           HN       THR  49  -4.994  -1.249   7.453
  349    HA   THR  49           HA       THR  49  -6.428  -0.159   5.195
  350    HB   THR  49           HB       THR  49  -4.822   1.612   7.055
  351    HG1  THR  49           HG1      THR  49  -6.222   1.395   8.499
  352   1HG2  THR  49           HMG      THR  49  -7.381   1.763   5.558
  353   2HG2  THR  49           HMG      THR  49  -7.319   2.589   7.135
  354   3HG2  THR  49           HMG      THR  49  -6.145   3.010   5.862
  355    H    LEU  50           HN       LEU  50  -5.306   2.036   4.365
  356    HA   LEU  50           HA       LEU  50  -2.553   1.471   3.421
  357   1HB   LEU  50           HBR      LEU  50  -3.565   1.781   1.073
  358   2HB   LEU  50           HBS      LEU  50  -3.742   0.211   1.907
  359    HG   LEU  50           HG       LEU  50  -6.049   1.640   2.573
  360   1HD1  LEU  50           HMD      LEU  50  -5.021   2.375  -0.114
  361   2HD1  LEU  50           HMD      LEU  50  -6.728   1.870  -0.032
  362   3HD1  LEU  50           HMD      LEU  50  -6.153   3.231   0.964
  363   1HD2  LEU  50           HMD      LEU  50  -5.301  -0.578   0.679
  364   2HD2  LEU  50           HMD      LEU  50  -6.174  -0.653   2.232
  365   3HD2  LEU  50           HMD      LEU  50  -6.987  -0.010   0.782
  366    H    ALA  51           HN       ALA  51  -2.411   3.248   1.392
  367    HA   ALA  51           HA       ALA  51  -3.688   5.751   2.024
  368   1HB   ALA  51           HMB      ALA  51  -0.792   5.342   2.709
  369   2HB   ALA  51           HMB      ALA  51  -1.369   6.926   2.131
  370   3HB   ALA  51           HMB      ALA  51  -2.070   6.205   3.603
  371    H    ASP  52           HN       ASP  52  -4.408   5.935   0.010
  372    HA   ASP  52           HA       ASP  52  -2.615   5.682  -2.283
  373   1HB   ASP  52           HBS      ASP  52  -4.488   6.191  -3.654
  374   2HB   ASP  52           HBR      ASP  52  -4.944   4.954  -2.448
  375    H    LYS  53           HN       LYS  53  -2.259   7.416  -3.773
  376    HA   LYS  53           HA       LYS  53  -2.418  10.182  -3.053
  377   1HB   LYS  53           HBR      LYS  53  -0.975   9.444  -1.195
  378   2HB   LYS  53           HBS      LYS  53   0.193   8.789  -2.377
  379   1HG   LYS  53           HGR      LYS  53   1.182  10.816  -2.014
  380   2HG   LYS  53           HGS      LYS  53   0.047  11.305  -3.304
  381   1HD   LYS  53           HDS      LYS  53  -1.128  12.622  -1.973
  382   2HD   LYS  53           HDR      LYS  53  -1.188  11.432  -0.703
  383   1HE   LYS  53           HES      LYS  53  -0.050  13.139   0.322
  384   2HE   LYS  53           HER      LYS  53   1.266  12.074  -0.250
  385   1HZ   LYS  53           HZC      LYS  53   0.342  14.221  -1.976
  386   2HZ   LYS  53           HZA      LYS  53   1.314  14.597  -0.718
  387   3HZ   LYS  53           HZB      LYS  53   1.825  13.547  -1.859
  388    H    ASP  54           HN       ASP  54  -2.386  11.027  -4.992
  389    HA   ASP  54           HA       ASP  54  -1.817  11.525  -7.133
  390   1HB   ASP  54           HBR      ASP  54   0.424  12.046  -7.449
  391   2HB   ASP  54           HBS      ASP  54   0.104  12.247  -5.703
  392    H    GLY  55           HN       GLY  55  -2.475   8.663  -6.487
  393   1HA   GLY  55           HAR      GLY  55  -3.241   7.269  -8.237
  394   2HA   GLY  55           HAS      GLY  55  -1.864   7.786  -9.245
  395    H    GLU  56           HN       GLU  56  -0.050   7.422  -6.840
  396    HA   GLU  56           HA       GLU  56   0.134   4.439  -6.854
  397   1HB   GLU  56           HBR      GLU  56   2.410   4.789  -6.133
  398   2HB   GLU  56           HBS      GLU  56   2.062   5.484  -7.620
  399   1HG   GLU  56           HGS      GLU  56   1.725   7.713  -6.601
  400   2HG   GLU  56           HGR      GLU  56   2.345   7.096  -5.045
  401    H    ILE  57           HN       ILE  57   1.409   3.972  -4.568
  402    HA   ILE  57           HA       ILE  57  -0.342   4.889  -2.376
  403    HB   ILE  57           HB       ILE  57  -1.366   2.659  -2.142
  404   1HG1  ILE  57           HG1      ILE  57   0.216   1.990  -4.649
  405   2HG1  ILE  57           HG1      ILE  57   0.393   1.275  -3.022
  406   1HG2  ILE  57           HMG      ILE  57  -2.536   4.351  -3.492
  407   2HG2  ILE  57           HMG      ILE  57  -1.765   3.690  -4.958
  408   3HG2  ILE  57           HMG      ILE  57  -2.896   2.683  -4.015
  409   1HD1  ILE  57           HMD      ILE  57  -2.317   0.945  -3.941
  410   2HD1  ILE  57           HMD      ILE  57  -1.175   0.340  -5.171
  411   3HD1  ILE  57           HMD      ILE  57  -1.105  -0.290  -3.504
  412    OH   TYR  58           OH       TYR  58   1.863   9.067   2.763
  413    H    TYR  58           HN       TYR  58   0.419   4.409  -0.395
  414    HA   TYR  58           HA       TYR  58   2.279   2.165  -0.155
  415   1HB   TYR  58           HBR      TYR  58   3.606   3.304   1.623
  416   2HB   TYR  58           HBS      TYR  58   3.842   3.999  -0.005
  417    HD1  TYR  58           HD2      TYR  58   2.681   6.167  -0.563
  418    HD2  TYR  58           HD1      TYR  58   2.863   4.689   3.421
  419    HE1  TYR  58           HE2      TYR  58   2.132   8.404   0.282
  420    HE2  TYR  58           HE1      TYR  58   2.351   6.933   4.283
  421    HH   TYR  58           HH       TYR  58   2.311   9.122   3.754
  422    H    CYS  59           HN       CYS  59   2.461   1.720   2.369
  423    HA   CYS  59           HA       CYS  59  -0.391   1.132   2.688
  424   1HB   CYS  59           HBR      CYS  59   0.135  -1.014   3.284
  425   2HB   CYS  59           HBS      CYS  59   1.168  -0.580   1.900
  426    H    LYS  60           HN       LYS  60  -1.326   0.494   4.681
  427    HA   LYS  60           HA       LYS  60  -0.582   2.288   6.919
  428   1HB   LYS  60           HBS      LYS  60  -3.015   1.772   6.229
  429   2HB   LYS  60           HBR      LYS  60  -2.727   0.159   6.941
  430   1HG   LYS  60           HGR      LYS  60  -1.834   2.036   8.863
  431   2HG   LYS  60           HGS      LYS  60  -3.391   2.657   8.245
  432   1HD   LYS  60           HDS      LYS  60  -4.166   0.177   8.576
  433   2HD   LYS  60           HDR      LYS  60  -2.791   0.088   9.642
  434   1HE   LYS  60           HES      LYS  60  -5.195   1.873   9.897
  435   2HE   LYS  60           HER      LYS  60  -4.612   0.598  11.003
  436   1HZ   LYS  60           HZB      LYS  60  -2.542   2.138  11.038
  437   2HZ   LYS  60           HZC      LYS  60  -3.618   3.295  10.628
  438   3HZ   LYS  60           HZA      LYS  60  -3.821   2.441  12.005
  439    H    GLY  61           HN       GLY  61  -0.032  -0.851   5.645
  440   1HA   GLY  61           HAR      GLY  61   1.112  -2.135   7.916
  441   2HA   GLY  61           HAS      GLY  61   1.576  -2.371   6.209
  442    H    CYS  62           HN       CYS  62   1.922   0.789   6.356
  443    HA   CYS  62           HA       CYS  62   4.743   0.615   7.172
  444   1HB   CYS  62           HBS      CYS  62   3.201   1.673   4.918
  445   2HB   CYS  62           HBR      CYS  62   4.396   2.836   5.556
  446    OH   TYR  63           OH       TYR  63   0.412   9.932  10.703
  447    H    TYR  63           HN       TYR  63   2.107   3.013   6.976
  448    HA   TYR  63           HA       TYR  63   3.026   4.789   8.980
  449   1HB   TYR  63           HBS      TYR  63   0.948   4.849   7.324
  450   2HB   TYR  63           HBR      TYR  63   0.102   4.162   8.739
  451    HD1  TYR  63           HD2      TYR  63   0.033   5.463  10.864
  452    HD2  TYR  63           HD1      TYR  63   1.655   7.171   7.323
  453    HE1  TYR  63           HE2      TYR  63  -0.184   7.699  11.854
  454    HE2  TYR  63           HE1      TYR  63   1.455   9.415   8.307
  455    HH   TYR  63           HH       TYR  63   1.394  10.395  10.620
  456    H    ALA  64           HN       ALA  64   1.962   1.533   9.156
  457    HA   ALA  64           HA       ALA  64   1.726   1.637  12.095
  458   1HB   ALA  64           HMB      ALA  64   0.291   0.149  10.684
  459   2HB   ALA  64           HMB      ALA  64   1.757  -0.775  10.266
  460   3HB   ALA  64           HMB      ALA  64   1.215  -0.684  11.961
  461    H    LYS  65           HN       LYS  65   3.718  -0.151   9.702
  462    HA   LYS  65           HA       LYS  65   5.359  -1.340  11.588
  463   1HB   LYS  65           HBS      LYS  65   5.190  -2.068   9.246
  464   2HB   LYS  65           HBR      LYS  65   6.101  -0.619   8.733
  465   1HG   LYS  65           HGR      LYS  65   7.904  -1.968   8.846
  466   2HG   LYS  65           HGS      LYS  65   7.791  -1.704  10.610
  467   1HD   LYS  65           HDS      LYS  65   7.043  -3.768  11.043
  468   2HD   LYS  65           HDR      LYS  65   6.080  -3.844   9.594
  469   1HE   LYS  65           HES      LYS  65   9.073  -4.020   9.450
  470   2HE   LYS  65           HER      LYS  65   8.046  -5.439   9.804
  471   1HZ   LYS  65           HZB      LYS  65   6.850  -4.895   7.741
  472   2HZ   LYS  65           HZC      LYS  65   7.970  -3.756   7.399
  473   3HZ   LYS  65           HZA      LYS  65   8.406  -5.327   7.495
  474    H    ASN  66           HN       ASN  66   5.407   1.905  10.463
  475    HA   ASN  66           HA       ASN  66   7.754   2.343  12.216
  476   1HB   ASN  66           HBR      ASN  66   8.298   4.357  10.848
  477   2HB   ASN  66           HBS      ASN  66   8.620   2.768  10.092
  478   1HD2  ASN  66           HD2      ASN  66   5.611   5.210   8.633
  479   2HD2  ASN  66           HD2      ASN  66   6.171   5.386  10.262
  480    H    PHE  67           HN       PHE  67   5.627   2.197  13.543
  481    HA   PHE  67           HA       PHE  67   4.193   4.696  13.832
  482   1HB   PHE  67           HBR      PHE  67   3.408   3.829  15.981
  483   2HB   PHE  67           HBS      PHE  67   3.197   2.610  14.691
  484    HD1  PHE  67           HD2      PHE  67   5.125   0.772  14.543
  485    HD2  PHE  67           HD1      PHE  67   4.368   3.279  17.904
  486    HE1  PHE  67           HE2      PHE  67   6.355  -0.811  15.993
  487    HE2  PHE  67           HE1      PHE  67   5.618   1.746  19.356
  488    HZ   PHE  67           HZ       PHE  67   6.657  -0.273  18.394
  489    H    GLY  68           HN       GLY  68   4.268   5.702  16.132
  490   1HA   GLY  68           HAR      GLY  68   7.066   6.700  16.363
  491   2HA   GLY  68           HAS      GLY  68   5.583   7.635  16.702
  492    HA   PRO  69           HA       PRO  69   7.342   5.282  20.492
  493   1HB   PRO  69           HBS      PRO  69   9.203   7.053  21.292
  494   2HB   PRO  69           HBR      PRO  69   9.520   5.571  20.659
  495   1HG   PRO  69           HGS      PRO  69   9.779   8.084  19.468
  496   2HG   PRO  69           HGR      PRO  69  10.492   6.646  19.009
  497   1HD   PRO  69           HDS      PRO  69   8.440   7.819  17.742
  498   2HD   PRO  69           HDR      PRO  69   8.910   6.245  17.540
  499    H    LYS  70           HN       LYS  70   6.518   8.465  19.738
  500    HA   LYS  70           HA       LYS  70   5.043   9.916  20.719
  501   1HB   LYS  70           HBR      LYS  70   3.727   7.737  20.892
  502   2HB   LYS  70           HBS      LYS  70   4.272   7.669  22.592
  503   1HG   LYS  70           HGR      LYS  70   3.126  10.273  21.863
  504   2HG   LYS  70           HGS      LYS  70   1.977   8.921  21.652
  505   1HD   LYS  70           HDS      LYS  70   1.846   8.463  23.846
  506   2HD   LYS  70           HDR      LYS  70   3.516   8.861  24.142
  507   1HE   LYS  70           HES      LYS  70   2.346  11.303  23.476
  508   2HE   LYS  70           HER      LYS  70   1.164  10.464  24.519
  509   1HZ   LYS  70           HZA      LYS  70   3.982  10.569  25.268
  510   2HZ   LYS  70           HZB      LYS  70   3.004  11.839  25.584
  511   3HZ   LYS  70           HZC      LYS  70   2.669  10.373  26.221
  512    H    GLY  71           HN       GLY  71   7.788   9.441  21.806
  513   1HA   GLY  71           HAS      GLY  71   8.557  11.326  23.181
  514   2HA   GLY  71           HAR      GLY  71   7.324  10.874  24.387
  515    H    PHE  72           HN       PHE  72   9.940   9.244  22.542
  516    HA   PHE  72           HA       PHE  72  11.088   8.381  25.142
  517   1HB   PHE  72           HBS      PHE  72  10.086   6.458  23.602
  518   2HB   PHE  72           HBR      PHE  72  11.613   6.696  22.703
  519    HD1  PHE  72           HD1      PHE  72  10.618   6.727  26.263
  520    HD2  PHE  72           HD2      PHE  72  13.180   4.993  23.333
  521    HE1  PHE  72           HE1      PHE  72  11.746   5.457  28.033
  522    HE2  PHE  72           HE2      PHE  72  14.332   3.698  25.098
  523    HZ   PHE  72           HZ       PHE  72  13.643   3.987  27.462
  524    H    GLY  73           HN       GLY  73  11.757   8.786  21.645
  525   1HA   GLY  73           HAS      GLY  73  13.432   9.907  20.534
  526   2HA   GLY  73           HAR      GLY  73  13.513  10.931  21.992
  527    H    PHE  74           HN       PHE  74  14.056   7.506  22.299
  528    HA   PHE  74           HA       PHE  74  15.868   6.270  22.920
  529   1HB   PHE  74           HBS      PHE  74  16.776   7.953  20.720
  530   2HB   PHE  74           HBR      PHE  74  18.106   7.615  21.865
  531    HD1  PHE  74           HD2      PHE  74  17.279   4.815  22.755
  532    HD2  PHE  74           HD1      PHE  74  17.395   6.700  18.936
  533    HE1  PHE  74           HE2      PHE  74  17.491   2.600  21.676
  534    HE2  PHE  74           HE1      PHE  74  17.602   4.515  17.840
  535    HZ   PHE  74           HZ       PHE  74  17.589   2.459  19.202
  536    H    GLY  75           HN       GLY  75  18.045   6.315  23.996
  537   1HA   GLY  75           HAS      GLY  75  18.036   8.487  26.053
  538   2HA   GLY  75           HAR      GLY  75  18.145   6.752  26.449
  539    H    GLN  76           HN       GLN  76  19.725   8.099  23.621
  540    HA   GLN  76           HA       GLN  76  22.242   8.481  25.082
  541   1HB   GLN  76           HBR      GLN  76  22.025   6.684  22.659
  542   2HB   GLN  76           HBS      GLN  76  23.550   7.391  23.264
  543   1HG   GLN  76           HGS      GLN  76  21.711   5.595  24.871
  544   2HG   GLN  76           HGR      GLN  76  23.162   5.044  23.986
  545   1HE2  GLN  76           HE2      GLN  76  24.034   5.511  27.546
  546   2HE2  GLN  76           HE2      GLN  76  22.874   4.574  26.665
  547    H    GLY  77           HN       GLY  77  21.854  10.652  24.840
  548   1HA   GLY  77           HAS      GLY  77  22.139  11.748  22.081
  549   2HA   GLY  77           HAR      GLY  77  20.764  12.229  23.111
  550    H    ALA  78           HN       ALA  78  22.849  13.912  22.020
  551    HA   ALA  78           HA       ALA  78  23.727  15.088  24.606
  552   1HB   ALA  78           HMB      ALA  78  25.277  14.800  22.047
  553   2HB   ALA  78           HMB      ALA  78  25.568  16.177  23.139
  554   3HB   ALA  78           HMB      ALA  78  25.786  14.509  23.729
  555    H    GLY  79           HN       GLY  79  23.300  17.207  24.854
  556   1HA   GLY  79           HAS      GLY  79  21.965  18.713  22.671
  557   2HA   GLY  79           HAR      GLY  79  21.013  18.264  24.110
  558    H    ALA  80           HN       ALA  80  24.421  18.870  24.463
  559    HA   ALA  80           HA       ALA  80  23.885  21.659  25.365
  560   1HB   ALA  80           HMB      ALA  80  24.935  19.514  26.896
  561   2HB   ALA  80           HMB      ALA  80  26.281  20.627  26.539
  562   3HB   ALA  80           HMB      ALA  80  24.807  21.238  27.330
  563    H    LEU  81           HN       LEU  81  26.928  19.873  25.020
  564    HA   LEU  81           HA       LEU  81  27.467  21.328  22.485
  565   1HB   LEU  81           HBS      LEU  81  28.746  22.480  24.082
  566   2HB   LEU  81           HBR      LEU  81  29.235  20.974  24.907
  567    HG   LEU  81           HG       LEU  81  30.141  21.111  22.129
  568   1HD1  LEU  81           HMD      LEU  81  30.723  23.332  24.050
  569   2HD1  LEU  81           HMD      LEU  81  32.050  22.710  23.038
  570   3HD1  LEU  81           HMD      LEU  81  30.578  23.361  22.275
  571   1HD2  LEU  81           HMD      LEU  81  30.712  19.672  24.307
  572   2HD2  LEU  81           HMD      LEU  81  31.916  19.993  23.033
  573   3HD2  LEU  81           HMD      LEU  81  31.917  20.968  24.525
  574    H    ILE  82           HN       ILE  82  28.803  18.729  24.566
  575    HA   ILE  82           HA       ILE  82  27.877  16.661  22.899
  576    HB   ILE  82           HB       ILE  82  29.662  17.585  21.355
  577   1HG1  ILE  82           HG1      ILE  82  28.735  15.282  21.281
  578   2HG1  ILE  82           HG1      ILE  82  30.397  15.408  20.638
  579   1HG2  ILE  82           HMG      ILE  82  31.320  18.129  23.141
  580   2HG2  ILE  82           HMG      ILE  82  31.640  16.381  23.298
  581   3HG2  ILE  82           HMG      ILE  82  31.981  17.216  21.759
  582   1HD1  ILE  82           HMD      ILE  82  30.877  14.751  23.244
  583   2HD1  ILE  82           HMD      ILE  82  29.351  13.882  22.932
  584   3HD1  ILE  82           HMD      ILE  82  30.774  13.587  21.897
  585    H    HIS  83           HN       HIS  83  27.335  15.459  24.565
  586    HA   HIS  83           HA       HIS  83  29.348  14.451  26.441
  587   1HB   HIS  83           HBS      HIS  83  27.262  16.489  27.250
  588   2HB   HIS  83           HBR      HIS  83  27.788  15.218  28.391
  589    HD1  HIS  83           HD1      HIS  83  29.198  18.199  26.437
  590    HD2  HIS  83           HD2      HIS  83  30.207  15.644  29.569
  591    HE1  HIS  83           HE1      HIS  83  31.192  19.215  27.564
  592    HE2  HIS  83           HE2      HIS  83  31.794  17.684  29.473
  593    H    SER  84           HN       SER  84  28.896  12.430  26.802
  594    HA   SER  84           HA       SER  84  26.190  11.467  26.096
  595   1HB   SER  84           HBS      SER  84  28.899  10.548  25.596
  596   2HB   SER  84           HBR      SER  84  27.875   9.262  26.296
  597    HG   SER  84           HG       SER  84  26.460   9.313  24.706
  598    H    GLN  85           HN       GLN  85  24.947  11.415  27.832
  599    HA   GLN  85           HA       GLN  85  25.364   9.244  29.612
  600   1HB   GLN  85           HBR      GLN  85  26.762  11.044  30.738
  601   2HB   GLN  85           HBS      GLN  85  25.217  11.876  31.077
  602   1HG   GLN  85           HGS      GLN  85  26.047  10.496  32.964
  603   2HG   GLN  85           HGR      GLN  85  24.429  10.017  32.376
  604   1HE2  GLN  85           HE2      GLN  85  25.284   6.728  31.913
  605   2HE2  GLN  85           HE2      GLN  85  24.099   7.946  32.243
   
  Start of MODEL           9
 Raw file had  605 H/Q atoms
  Start of MODEL    9
    1   1H    MET   1           HNC      MET   1 -12.234   2.164 -16.527
    2   2H    MET   1           HNB      MET   1 -13.435   2.193 -17.634
    3   3H    MET   1           HN       MET   1 -11.876   2.222 -18.120
    4    HA   MET   1           HA       MET   1 -11.500   4.334 -17.203
    5   1HB   MET   1           HBR      MET   1 -13.239   5.631 -18.561
    6   2HB   MET   1           HBS      MET   1 -12.205   4.465 -19.434
    7   1HG   MET   1           HGS      MET   1 -14.031   2.786 -19.338
    8   2HG   MET   1           HGR      MET   1 -15.046   3.958 -18.462
    9   1HE   MET   1           HME      MET   1 -16.360   2.952 -20.343
   10   2HE   MET   1           HME      MET   1 -17.015   4.307 -21.297
   11   3HE   MET   1           HME      MET   1 -15.988   3.080 -22.081
   12    H    ALA   2           HN       ALA   2 -12.363   6.210 -16.149
   13    HA   ALA   2           HA       ALA   2 -13.452   7.293 -14.449
   14   1HB   ALA   2           HMB      ALA   2 -15.205   7.095 -16.202
   15   2HB   ALA   2           HMB      ALA   2 -15.792   5.618 -15.396
   16   3HB   ALA   2           HMB      ALA   2 -15.846   7.180 -14.541
   17    H    GLN   3           HN       GLN   3 -15.304   6.763 -12.644
   18    HA   GLN   3           HA       GLN   3 -14.264   4.486 -11.081
   19   1HB   GLN   3           HBS      GLN   3 -15.513   5.313  -9.226
   20   2HB   GLN   3           HBR      GLN   3 -14.555   6.645  -9.932
   21   1HG   GLN   3           HGS      GLN   3 -17.430   6.239 -10.717
   22   2HG   GLN   3           HGR      GLN   3 -17.013   7.065  -9.190
   23   1HE2  GLN   3           HE2      GLN   3 -16.087  10.075 -10.621
   24   2HE2  GLN   3           HE2      GLN   3 -16.285   9.108  -9.198
   25    H    LYS   4           HN       LYS   4 -15.614   2.877 -10.263
   26    HA   LYS   4           HA       LYS   4 -18.049   2.377 -11.912
   27   1HB   LYS   4           HBR      LYS   4 -17.124  -0.079 -11.798
   28   2HB   LYS   4           HBS      LYS   4 -16.579   1.060 -13.062
   29   1HG   LYS   4           HGR      LYS   4 -14.576   1.570 -11.611
   30   2HG   LYS   4           HGS      LYS   4 -15.093   0.236 -10.542
   31   1HD   LYS   4           HDS      LYS   4 -13.457  -0.680 -11.926
   32   2HD   LYS   4           HDR      LYS   4 -14.997  -1.296 -12.463
   33   1HE   LYS   4           HES      LYS   4 -14.653   0.988 -14.001
   34   2HE   LYS   4           HER      LYS   4 -13.032   0.243 -13.905
   35   1HZ   LYS   4           HZC      LYS   4 -15.475  -1.203 -14.665
   36   2HZ   LYS   4           HZA      LYS   4 -14.400  -0.589 -15.731
   37   3HZ   LYS   4           HZB      LYS   4 -13.946  -1.776 -14.706
   38    H    VAL   5           HN       VAL   5 -19.727   1.865 -10.735
   39    HA   VAL   5           HA       VAL   5 -19.548  -0.175  -8.743
   40    HB   VAL   5           HB       VAL   5 -18.851   1.574  -7.287
   41   1HG1  VAL   5           HMG      VAL   5 -19.669   3.530  -8.496
   42   2HG1  VAL   5           HMG      VAL   5 -21.342   3.119  -8.052
   43   3HG1  VAL   5           HMG      VAL   5 -20.172   3.570  -6.789
   44   1HG2  VAL   5           HMG      VAL   5 -20.605  -0.159  -6.573
   45   2HG2  VAL   5           HMG      VAL   5 -20.324   1.247  -5.517
   46   3HG2  VAL   5           HMG      VAL   5 -21.752   1.203  -6.580
   47    H    GLY   6           HN       GLY   6 -21.197  -1.403  -9.146
   48   1HA   GLY   6           HAR      GLY   6 -23.844  -0.912  -9.140
   49   2HA   GLY   6           HAS      GLY   6 -23.427  -0.446 -10.811
   50    H    GLY   7           HN       GLY   7 -23.559  -3.066  -8.466
   51   1HA   GLY   7           HAS      GLY   7 -24.599  -5.117  -9.164
   52   2HA   GLY   7           HAR      GLY   7 -23.782  -4.969 -10.743
   53    H    SER   8           HN       SER   8 -21.414  -5.147 -10.757
   54    HA   SER   8           HA       SER   8 -20.342  -6.725  -8.472
   55   1HB   SER   8           HBR      SER   8 -18.619  -7.422 -10.369
   56   2HB   SER   8           HBS      SER   8 -20.137  -8.315 -10.059
   57    HG   SER   8           HG       SER   8 -19.417  -7.690 -12.325
   58    H    ASP   9           HN       ASP   9 -17.752  -6.612  -8.821
   59    HA   ASP   9           HA       ASP   9 -17.071  -3.744  -9.145
   60   1HB   ASP   9           HBR      ASP   9 -16.019  -5.808  -7.285
   61   2HB   ASP   9           HBS      ASP   9 -14.888  -4.588  -7.935
   62    H    GLY  10           HN       GLY  10 -14.375  -3.984  -9.551
   63   1HA   GLY  10           HAS      GLY  10 -13.530  -6.114 -11.156
   64   2HA   GLY  10           HAR      GLY  10 -14.001  -4.808 -12.277
   65    H    CYS  11           HN       CYS  11 -11.454  -5.549 -12.344
   66    HA   CYS  11           HA       CYS  11  -9.891  -3.761 -10.554
   67   1HB   CYS  11           HBS      CYS  11 -10.129  -6.305 -10.114
   68   2HB   CYS  11           HBR      CYS  11  -9.053  -6.478 -11.529
   69    HA   PRO  12           HA       PRO  12  -7.882  -2.361 -14.296
   70   1HB   PRO  12           HBR      PRO  12  -6.512  -0.700 -12.511
   71   2HB   PRO  12           HBS      PRO  12  -7.440  -0.264 -13.793
   72   1HG   PRO  12           HGS      PRO  12  -8.120   0.066 -11.257
   73   2HG   PRO  12           HGR      PRO  12  -9.187   0.116 -12.537
   74   1HD   PRO  12           HDS      PRO  12  -8.849  -1.912 -10.626
   75   2HD   PRO  12           HDR      PRO  12 -10.131  -1.656 -11.639
   76    NH1  ARG  13           NH1      ARG  13  -2.166  -1.593 -11.759
   77    NH2  ARG  13           NH2      ARG  13  -0.254  -1.295 -10.522
   78    H    ARG  13           HN       ARG  13  -6.899  -3.936 -11.544
   79    HA   ARG  13           HA       ARG  13  -4.068  -3.824 -12.176
   80   1HB   ARG  13           HBS      ARG  13  -5.571  -4.126  -9.853
   81   2HB   ARG  13           HBR      ARG  13  -4.837  -5.736 -10.108
   82   1HG   ARG  13           HGS      ARG  13  -3.256  -4.677  -8.792
   83   2HG   ARG  13           HGR      ARG  13  -2.627  -4.388 -10.440
   84   1HD   ARG  13           HDS      ARG  13  -4.069  -2.222 -10.286
   85   2HD   ARG  13           HDR      ARG  13  -3.947  -2.511  -8.527
   86    HE   ARG  13           HE       ARG  13  -1.671  -2.011  -8.617
   87   1HH1  ARG  13           HH1      ARG  13  -3.127  -1.862 -11.824
   88   2HH1  ARG  13           HH1      ARG  13  -1.686  -1.257 -12.570
   89   1HH2  ARG  13           HH2      ARG  13   0.233  -1.340  -9.650
   90   2HH2  ARG  13           HH2      ARG  13   0.215  -0.960 -11.340
   91    H    CYS  14           HN       CYS  14  -6.294  -6.568 -11.532
   92    HA   CYS  14           HA       CYS  14  -4.359  -8.331 -12.931
   93   1HB   CYS  14           HBS      CYS  14  -5.619 -10.193 -11.968
   94   2HB   CYS  14           HBR      CYS  14  -4.916  -9.098 -10.746
   95    H    GLY  15           HN       GLY  15  -7.385  -6.741 -13.277
   96   1HA   GLY  15           HAR      GLY  15  -8.685  -6.554 -15.179
   97   2HA   GLY  15           HAS      GLY  15  -7.728  -7.858 -15.932
   98    H    GLN  16           HN       GLN  16  -9.452  -7.964 -12.822
   99    HA   GLN  16           HA       GLN  16 -11.371  -9.895 -14.019
  100   1HB   GLN  16           HBS      GLN  16  -9.769  -9.966 -11.526
  101   2HB   GLN  16           HBR      GLN  16 -11.456 -10.540 -11.416
  102   1HG   GLN  16           HGS      GLN  16  -9.692 -11.523 -13.634
  103   2HG   GLN  16           HGR      GLN  16  -9.505 -12.195 -11.990
  104   1HE2  GLN  16           HE2      GLN  16 -12.988 -13.384 -11.980
  105   2HE2  GLN  16           HE2      GLN  16 -12.051 -12.256 -11.059
  106    H    ALA  17           HN       ALA  17 -13.489  -9.819 -13.487
  107    HA   ALA  17           HA       ALA  17 -14.434  -7.454 -11.945
  108   1HB   ALA  17           HMB      ALA  17 -15.794  -9.329 -13.888
  109   2HB   ALA  17           HMB      ALA  17 -16.684  -8.211 -12.822
  110   3HB   ALA  17           HMB      ALA  17 -15.539  -7.571 -14.028
  111    H    VAL  18           HN       VAL  18 -15.663  -7.707 -10.142
  112    HA   VAL  18           HA       VAL  18 -15.105 -10.286  -8.810
  113    HB   VAL  18           HB       VAL  18 -15.579  -7.619  -7.482
  114   1HG1  VAL  18           HMG      VAL  18 -14.830 -10.292  -6.572
  115   2HG1  VAL  18           HMG      VAL  18 -13.710  -9.024  -6.017
  116   3HG1  VAL  18           HMG      VAL  18 -15.449  -8.892  -5.662
  117   1HG2  VAL  18           HMG      VAL  18 -13.193  -8.555  -8.970
  118   2HG2  VAL  18           HMG      VAL  18 -13.785  -6.908  -8.647
  119   3HG2  VAL  18           HMG      VAL  18 -12.906  -7.801  -7.383
  120    OH   TYR  19           OH       TYR  19 -14.211 -15.727  -9.244
  121    H    TYR  19           HN       TYR  19 -16.575 -11.407  -7.699
  122    HA   TYR  19           HA       TYR  19 -19.136 -11.356  -8.833
  123   1HB   TYR  19           HBS      TYR  19 -18.632 -12.758  -6.214
  124   2HB   TYR  19           HBR      TYR  19 -19.596 -13.278  -7.625
  125    HD1  TYR  19           HD2      TYR  19 -17.979 -13.365  -9.862
  126    HD2  TYR  19           HD1      TYR  19 -16.753 -14.098  -5.856
  127    HE1  TYR  19           HE2      TYR  19 -16.051 -14.636 -10.693
  128    HE2  TYR  19           HE1      TYR  19 -14.834 -15.396  -6.674
  129    HH   TYR  19           HH       TYR  19 -13.923 -16.393  -8.433
  130    H    ALA  20           HN       ALA  20 -18.632 -11.205  -5.304
  131    HA   ALA  20           HA       ALA  20 -20.920  -9.383  -4.965
  132   1HB   ALA  20           HMB      ALA  20 -18.943 -10.647  -3.053
  133   2HB   ALA  20           HMB      ALA  20 -20.191  -9.472  -2.565
  134   3HB   ALA  20           HMB      ALA  20 -20.669 -11.036  -3.273
  135    H    ALA  21           HN       ALA  21 -17.759  -9.160  -3.386
  136    HA   ALA  21           HA       ALA  21 -16.575  -7.313  -5.097
  137   1HB   ALA  21           HMB      ALA  21 -18.122  -6.034  -2.844
  138   2HB   ALA  21           HMB      ALA  21 -16.687  -5.268  -3.572
  139   3HB   ALA  21           HMB      ALA  21 -18.113  -5.626  -4.579
  140    H    GLU  22           HN       GLU  22 -14.503  -7.518  -4.719
  141    HA   GLU  22           HA       GLU  22 -13.565  -7.684  -1.891
  142   1HB   GLU  22           HBR      GLU  22 -11.852  -8.617  -4.138
  143   2HB   GLU  22           HBS      GLU  22 -11.819  -8.987  -2.502
  144   1HG   GLU  22           HGS      GLU  22 -14.338  -9.889  -3.471
  145   2HG   GLU  22           HGR      GLU  22 -13.076 -10.596  -4.516
  146    H    LYS  23           HN       LYS  23 -14.291  -5.530  -3.921
  147    HA   LYS  23           HA       LYS  23 -11.681  -4.619  -4.919
  148   1HB   LYS  23           HBR      LYS  23 -14.221  -4.762  -6.032
  149   2HB   LYS  23           HBS      LYS  23 -14.051  -3.031  -5.627
  150   1HG   LYS  23           HGR      LYS  23 -11.646  -4.072  -6.915
  151   2HG   LYS  23           HGS      LYS  23 -13.103  -4.334  -7.916
  152   1HD   LYS  23           HDS      LYS  23 -12.290  -1.680  -6.730
  153   2HD   LYS  23           HDR      LYS  23 -11.877  -2.218  -8.334
  154   1HE   LYS  23           HES      LYS  23 -13.736  -1.174  -8.968
  155   2HE   LYS  23           HER      LYS  23 -14.547  -2.645  -8.360
  156   1HZ   LYS  23           HZB      LYS  23 -13.980  -0.550  -6.452
  157   2HZ   LYS  23           HZC      LYS  23 -15.177  -0.264  -7.527
  158   3HZ   LYS  23           HZA      LYS  23 -15.257  -1.565  -6.542
  159    H    VAL  24           HN       VAL  24 -11.510  -2.164  -5.183
  160    HA   VAL  24           HA       VAL  24 -11.713  -0.871  -2.553
  161    HB   VAL  24           HB       VAL  24 -10.271  -3.024  -2.619
  162   1HG1  VAL  24           HMG      VAL  24  -8.864  -1.735  -4.595
  163   2HG1  VAL  24           HMG      VAL  24  -7.865  -1.434  -3.154
  164   3HG1  VAL  24           HMG      VAL  24  -8.284  -3.101  -3.614
  165   1HG2  VAL  24           HMG      VAL  24 -10.337  -0.795  -0.997
  166   2HG2  VAL  24           HMG      VAL  24  -9.555  -2.354  -0.642
  167   3HG2  VAL  24           HMG      VAL  24  -8.599  -1.015  -1.321
  168    H    ILE  25           HN       ILE  25 -10.496   1.101  -2.430
  169    HA   ILE  25           HA       ILE  25  -9.998   2.313  -5.106
  170    HB   ILE  25           HB       ILE  25 -12.365   2.613  -4.377
  171   1HG1  ILE  25           HG1      ILE  25 -12.136   5.287  -4.372
  172   2HG1  ILE  25           HG1      ILE  25 -10.448   4.875  -4.787
  173   1HG2  ILE  25           HMG      ILE  25 -11.304   3.041  -1.836
  174   2HG2  ILE  25           HMG      ILE  25 -11.916   4.634  -2.355
  175   3HG2  ILE  25           HMG      ILE  25 -13.003   3.221  -2.347
  176   1HD1  ILE  25           HMD      ILE  25 -12.847   3.810  -6.298
  177   2HD1  ILE  25           HMD      ILE  25 -11.977   5.303  -6.742
  178   3HD1  ILE  25           HMD      ILE  25 -11.128   3.734  -6.767
  179    H    GLY  26           HN       GLY  26  -8.101   3.214  -5.172
  180   1HA   GLY  26           HAR      GLY  26  -7.117   4.773  -2.821
  181   2HA   GLY  26           HAS      GLY  26  -6.116   4.291  -4.218
  182    H    ALA  27           HN       ALA  27  -6.151   6.905  -3.528
  183    HA   ALA  27           HA       ALA  27  -8.275   8.468  -4.295
  184   1HB   ALA  27           HMB      ALA  27  -5.606   8.854  -3.429
  185   2HB   ALA  27           HMB      ALA  27  -5.869   9.920  -4.833
  186   3HB   ALA  27           HMB      ALA  27  -6.960  10.014  -3.427
  187    H    GLY  28           HN       GLY  28  -6.102   6.795  -6.343
  188   1HA   GLY  28           HAS      GLY  28  -6.942   8.433  -8.694
  189   2HA   GLY  28           HAR      GLY  28  -5.342   7.672  -8.485
  190    H    LYS  29           HN       LYS  29  -6.975   5.321  -7.231
  191    HA   LYS  29           HA       LYS  29  -7.525   3.962  -9.827
  192   1HB   LYS  29           HBR      LYS  29  -5.316   3.537  -7.876
  193   2HB   LYS  29           HBS      LYS  29  -6.120   2.078  -8.519
  194   1HG   LYS  29           HGR      LYS  29  -5.701   3.017 -10.844
  195   2HG   LYS  29           HGS      LYS  29  -4.664   4.247 -10.067
  196   1HD   LYS  29           HDS      LYS  29  -3.835   1.778  -9.025
  197   2HD   LYS  29           HDR      LYS  29  -4.117   1.492 -10.720
  198   1HE   LYS  29           HES      LYS  29  -2.205   3.430  -9.463
  199   2HE   LYS  29           HER      LYS  29  -1.893   2.102 -10.616
  200   1HZ   LYS  29           HZA      LYS  29  -3.564   3.646 -11.977
  201   2HZ   LYS  29           HZB      LYS  29  -2.763   4.783 -11.118
  202   3HZ   LYS  29           HZC      LYS  29  -1.937   3.752 -12.079
  203    H    SER  30           HN       SER  30  -8.518   1.887  -9.615
  204    HA   SER  30           HA       SER  30  -9.564   1.233  -6.917
  205   1HB   SER  30           HBR      SER  30 -11.391  -0.009  -8.466
  206   2HB   SER  30           HBS      SER  30 -11.615   1.608  -7.738
  207    HG   SER  30           HG       SER  30 -11.146   0.727 -10.399
  208    CH2  TRP  31           CH2      TRP  31  -2.695   1.206  -6.608
  209    H    TRP  31           HN       TRP  31  -9.622  -0.956  -6.426
  210    HA   TRP  31           HA       TRP  31  -7.944  -2.717  -8.099
  211   1HB   TRP  31           HBS      TRP  31  -7.011  -2.402  -5.311
  212   2HB   TRP  31           HBR      TRP  31  -6.106  -2.713  -6.819
  213    HD1  TRP  31           HD1      TRP  31  -8.184   0.443  -5.821
  214    HE1  TRP  31           HE1      TRP  31  -6.626   2.483  -5.897
  215    HE3  TRP  31           HE3      TRP  31  -3.812  -1.994  -6.724
  216    HZ2  TRP  31           HZ2      TRP  31  -3.882   2.959  -6.231
  217    HZ3  TRP  31           HZ3      TRP  31  -1.738  -0.689  -6.800
  218    HH2  TRP  31           HH2      TRP  31  -1.772   1.745  -6.658
  219    H    HIS  32           HN       ZHI  32  -7.466  -4.781  -6.805
  220    HA   HIS  32           HA       ZHI  32  -9.831  -5.697  -5.299
  221   1HB   HIS  32           HBS      ZHI  32  -7.342  -7.080  -6.326
  222   2HB   HIS  32           HBR      ZHI  32  -8.291  -7.791  -4.989
  223    HD2  HIS  32           HD2      ZHI  32 -11.054  -8.279  -5.714
  224    HE1  HIS  32           HE1      ZHI  32 -10.014  -9.001  -9.731
  225    HE2  HIS  32           HE2      ZHI  32 -11.751  -9.387  -7.946
  226    H    LYS  33           HN       LYS  33  -9.672  -6.461  -3.163
  227    HA   LYS  33           HA       LYS  33  -7.964  -5.180  -1.290
  228   1HB   LYS  33           HBS      LYS  33  -8.617  -6.976   0.256
  229   2HB   LYS  33           HBR      LYS  33 -10.014  -6.241  -0.580
  230   1HG   LYS  33           HGR      LYS  33 -10.682  -8.272  -1.226
  231   2HG   LYS  33           HGS      LYS  33  -9.158  -8.477  -2.136
  232   1HD   LYS  33           HDS      LYS  33  -9.547 -10.317  -0.595
  233   2HD   LYS  33           HDR      LYS  33  -8.066  -9.451  -0.298
  234   1HE   LYS  33           HES      LYS  33  -8.908  -9.813   1.828
  235   2HE   LYS  33           HER      LYS  33  -9.348  -8.123   1.454
  236   1HZ   LYS  33           HZA      LYS  33 -11.149 -10.419   1.110
  237   2HZ   LYS  33           HZB      LYS  33 -11.160  -9.425   2.405
  238   3HZ   LYS  33           HZC      LYS  33 -11.531  -8.842   0.926
  239    H    SER  34           HN       SER  34  -7.576  -7.989  -3.350
  240    HA   SER  34           HA       SER  34  -5.044  -8.666  -1.961
  241   1HB   SER  34           HBS      SER  34  -5.349 -10.900  -2.971
  242   2HB   SER  34           HBR      SER  34  -6.669 -10.427  -1.860
  243    HG   SER  34           HG       SER  34  -6.737 -11.323  -4.380
  244    H    CYS  35           HN       CYS  35  -5.626  -6.668  -4.216
  245    HA   CYS  35           HA       CYS  35  -3.201  -7.516  -5.697
  246   1HB   CYS  35           HBS      CYS  35  -5.503  -5.900  -6.818
  247   2HB   CYS  35           HBR      CYS  35  -3.903  -6.089  -7.590
  248    H    PHE  36           HN       PHE  36  -4.003  -5.979  -3.172
  249    HA   PHE  36           HA       PHE  36  -3.426  -3.192  -3.911
  250   1HB   PHE  36           HBS      PHE  36  -5.322  -4.034  -2.257
  251   2HB   PHE  36           HBR      PHE  36  -3.986  -4.018  -1.070
  252    HD1  PHE  36           HD2      PHE  36  -2.441  -1.592  -1.932
  253    HD2  PHE  36           HD1      PHE  36  -6.643  -2.285  -1.923
  254    HE1  PHE  36           HE2      PHE  36  -2.827   0.789  -1.364
  255    HE2  PHE  36           HE1      PHE  36  -7.057   0.101  -1.523
  256    HZ   PHE  36           HZ       PHE  36  -5.151   1.655  -1.337
  257    NH1  ARG  37           NH1      ARG  37   2.587  -5.005  -8.989
  258    NH2  ARG  37           NH2      ARG  37   3.624  -2.991  -9.371
  259    H    ARG  37           HN       ARG  37  -1.401  -2.608  -4.011
  260    HA   ARG  37           HA       ARG  37   0.566  -3.888  -2.170
  261   1HB   ARG  37           HBR      ARG  37   2.157  -3.808  -4.053
  262   2HB   ARG  37           HBS      ARG  37   0.753  -4.869  -4.363
  263   1HG   ARG  37           HGS      ARG  37  -0.251  -2.901  -5.647
  264   2HG   ARG  37           HGR      ARG  37   1.370  -2.156  -5.557
  265   1HD   ARG  37           HDS      ARG  37   1.662  -4.860  -6.379
  266   2HD   ARG  37           HDR      ARG  37   0.387  -4.102  -7.373
  267    HE   ARG  37           HE       ARG  37   2.592  -2.331  -7.214
  268   1HH1  ARG  37           HH1      ARG  37   1.993  -5.585  -8.433
  269   2HH1  ARG  37           HH1      ARG  37   3.012  -5.372  -9.816
  270   1HH2  ARG  37           HH2      ARG  37   3.814  -2.047  -9.101
  271   2HH2  ARG  37           HH2      ARG  37   4.044  -3.371 -10.195
  272    H    CYS  38           HN       CYS  38   1.561  -2.511  -0.921
  273    HA   CYS  38           HA       CYS  38   1.995   0.258  -1.281
  274   1HB   CYS  38           HBS      CYS  38   2.418  -1.166   0.766
  275   2HB   CYS  38           HBR      CYS  38   3.951  -1.655  -0.013
  276    H    ALA  39           HN       ALA  39   2.596   0.975  -3.215
  277    HA   ALA  39           HA       ALA  39   4.416  -0.152  -4.956
  278   1HB   ALA  39           HMB      ALA  39   3.060   2.374  -4.640
  279   2HB   ALA  39           HMB      ALA  39   4.715   2.625  -5.252
  280   3HB   ALA  39           HMB      ALA  39   3.598   1.540  -6.120
  281    H    LYS  40           HN       LYS  40   5.080   1.283  -1.927
  282    HA   LYS  40           HA       LYS  40   7.744   2.346  -2.669
  283   1HB   LYS  40           HBR      LYS  40   5.902   3.154  -0.770
  284   2HB   LYS  40           HBS      LYS  40   7.083   2.213   0.185
  285   1HG   LYS  40           HGR      LYS  40   7.613   4.640  -1.565
  286   2HG   LYS  40           HGS      LYS  40   7.787   4.506   0.208
  287   1HD   LYS  40           HDS      LYS  40   9.674   3.135   0.052
  288   2HD   LYS  40           HDR      LYS  40   9.370   2.752  -1.619
  289   1HE   LYS  40           HES      LYS  40  10.233   5.448  -0.575
  290   2HE   LYS  40           HER      LYS  40  11.248   4.243  -1.417
  291   1HZ   LYS  40           HZB      LYS  40   8.894   4.904  -2.852
  292   2HZ   LYS  40           HZC      LYS  40   9.834   6.213  -2.590
  293   3HZ   LYS  40           HZA      LYS  40  10.450   4.904  -3.348
  294    H    CYS  41           HN       CYS  41   6.616   0.400   0.115
  295    HA   CYS  41           HA       CYS  41   9.316  -0.547   0.318
  296   1HB   CYS  41           HBS      CYS  41   8.769  -1.456   2.422
  297   2HB   CYS  41           HBR      CYS  41   8.021   0.151   2.258
  298    H    GLY  42           HN       GLY  42   6.503  -1.793  -1.170
  299   1HA   GLY  42           HAR      GLY  42   6.600  -3.507  -2.798
  300   2HA   GLY  42           HAS      GLY  42   8.079  -4.142  -2.029
  301    H    LYS  43           HN       LYS  43   5.517  -3.270   0.105
  302    HA   LYS  43           HA       LYS  43   4.998  -6.138   0.693
  303   1HB   LYS  43           HBS      LYS  43   4.516  -3.587   2.247
  304   2HB   LYS  43           HBR      LYS  43   3.716  -5.131   2.657
  305   1HG   LYS  43           HGR      LYS  43   6.724  -4.963   2.400
  306   2HG   LYS  43           HGS      LYS  43   5.901  -4.464   3.906
  307   1HD   LYS  43           HDS      LYS  43   4.722  -6.857   3.473
  308   2HD   LYS  43           HDR      LYS  43   6.269  -7.143   2.722
  309   1HE   LYS  43           HES      LYS  43   6.414  -5.853   5.365
  310   2HE   LYS  43           HER      LYS  43   5.768  -7.519   5.332
  311   1HZ   LYS  43           HZA      LYS  43   7.833  -7.845   3.812
  312   2HZ   LYS  43           HZB      LYS  43   8.413  -6.561   4.637
  313   3HZ   LYS  43           HZC      LYS  43   7.969  -7.914   5.438
  314    H    SER  44           HN       SER  44   3.443  -6.912  -0.541
  315    HA   SER  44           HA       SER  44   1.061  -5.370  -1.277
  316   1HB   SER  44           HBS      SER  44   1.652  -8.331  -1.520
  317   2HB   SER  44           HBR      SER  44   0.234  -7.475  -2.191
  318    HG   SER  44           HG       SER  44   2.788  -7.858  -3.122
  319    H    LEU  45           HN       LEU  45  -0.399  -4.901   0.167
  320    HA   LEU  45           HA       LEU  45  -1.149  -6.862   2.209
  321   1HB   LEU  45           HBR      LEU  45  -1.029  -4.923   3.928
  322   2HB   LEU  45           HBS      LEU  45   0.434  -5.870   3.534
  323    HG   LEU  45           HG       LEU  45   1.106  -4.001   1.991
  324   1HD1  LEU  45           HMD      LEU  45  -1.265  -3.042   1.923
  325   2HD1  LEU  45           HMD      LEU  45  -0.922  -2.382   3.542
  326   3HD1  LEU  45           HMD      LEU  45   0.072  -1.886   2.150
  327   1HD2  LEU  45           HMD      LEU  45   1.369  -4.400   4.727
  328   2HD2  LEU  45           HMD      LEU  45   2.350  -3.308   3.717
  329   3HD2  LEU  45           HMD      LEU  45   0.929  -2.679   4.593
  330    H    GLU  46           HN       GLU  46  -2.835  -5.365   3.696
  331    HA   GLU  46           HA       GLU  46  -4.939  -4.992   1.612
  332   1HB   GLU  46           HBR      GLU  46  -5.158  -6.150   4.392
  333   2HB   GLU  46           HBS      GLU  46  -6.345  -6.079   3.209
  334   1HG   GLU  46           HGS      GLU  46  -5.833  -8.073   2.480
  335   2HG   GLU  46           HGR      GLU  46  -4.307  -7.428   1.816
  336    H    SER  47           HN       SER  47  -7.048  -4.241   2.972
  337    HA   SER  47           HA       SER  47  -6.625  -1.481   3.072
  338   1HB   SER  47           HBR      SER  47  -8.925  -3.281   3.683
  339   2HB   SER  47           HBS      SER  47  -8.998  -1.586   4.243
  340    HG   SER  47           HG       SER  47  -9.680  -2.541   1.923
  341    H    THR  48           HN       THR  48  -7.135  -3.796   5.735
  342    HA   THR  48           HA       THR  48  -7.430  -1.912   7.778
  343    HB   THR  48           HB       THR  48  -6.268  -4.741   8.053
  344    HG1  THR  48           HG1      THR  48  -7.823  -5.078   7.182
  345   1HG2  THR  48           HMG      THR  48  -7.153  -2.730  10.015
  346   2HG2  THR  48           HMG      THR  48  -7.863  -4.350  10.230
  347   3HG2  THR  48           HMG      THR  48  -6.092  -4.148  10.212
  348    H    THR  49           HN       THR  49  -4.623  -2.821   6.037
  349    HA   THR  49           HA       THR  49  -2.956  -1.163   7.856
  350    HB   THR  49           HB       THR  49  -2.051  -3.854   6.698
  351    HG1  THR  49           HG1      THR  49  -2.755  -4.706   8.130
  352   1HG2  THR  49           HMG      THR  49  -0.862  -2.034   8.805
  353   2HG2  THR  49           HMG      THR  49  -0.312  -3.699   8.482
  354   3HG2  THR  49           HMG      THR  49  -0.174  -2.453   7.215
  355    H    LEU  50           HN       LEU  50  -4.134  -0.320   5.463
  356    HA   LEU  50           HA       LEU  50  -1.623   0.381   4.074
  357   1HB   LEU  50           HBS      LEU  50  -2.478   0.023   1.929
  358   2HB   LEU  50           HBR      LEU  50  -2.879  -1.450   2.857
  359    HG   LEU  50           HG       LEU  50  -5.203  -0.381   3.153
  360   1HD1  LEU  50           HMD      LEU  50  -3.930   1.368   1.070
  361   2HD1  LEU  50           HMD      LEU  50  -5.660   0.960   0.939
  362   3HD1  LEU  50           HMD      LEU  50  -5.049   1.794   2.390
  363   1HD2  LEU  50           HMD      LEU  50  -4.156  -2.222   1.493
  364   2HD2  LEU  50           HMD      LEU  50  -5.871  -1.741   1.457
  365   3HD2  LEU  50           HMD      LEU  50  -4.722  -1.036   0.290
  366    H    ALA  51           HN       ALA  51  -2.383   2.206   2.367
  367    HA   ALA  51           HA       ALA  51  -4.672   3.753   3.162
  368   1HB   ALA  51           HMB      ALA  51  -1.918   4.723   3.897
  369   2HB   ALA  51           HMB      ALA  51  -3.227   5.865   3.498
  370   3HB   ALA  51           HMB      ALA  51  -3.421   4.728   4.856
  371    H    ASP  52           HN       ASP  52  -5.307   5.136   1.573
  372    HA   ASP  52           HA       ASP  52  -3.712   5.165  -0.906
  373   1HB   ASP  52           HBR      ASP  52  -5.687   6.214  -1.932
  374   2HB   ASP  52           HBS      ASP  52  -5.971   4.580  -1.267
  375    H    LYS  53           HN       LYS  53  -2.951   6.987  -1.861
  376    HA   LYS  53           HA       LYS  53  -2.904   9.495  -0.288
  377   1HB   LYS  53           HBS      LYS  53  -1.041   7.586   0.250
  378   2HB   LYS  53           HBR      LYS  53  -0.249   8.463  -1.090
  379   1HG   LYS  53           HGR      LYS  53   0.348  10.114   0.290
  380   2HG   LYS  53           HGS      LYS  53  -1.352  10.363   0.782
  381   1HD   LYS  53           HDS      LYS  53  -1.175   9.107   2.654
  382   2HD   LYS  53           HDR      LYS  53   0.017   8.040   1.963
  383   1HE   LYS  53           HES      LYS  53   0.710  10.882   2.640
  384   2HE   LYS  53           HER      LYS  53   0.749   9.569   3.851
  385   1HZ   LYS  53           HZB      LYS  53   2.063   8.801   1.494
  386   2HZ   LYS  53           HZC      LYS  53   2.698  10.201   2.047
  387   3HZ   LYS  53           HZA      LYS  53   2.647   8.887   3.017
  388    H    ASP  54           HN       ASP  54  -3.668  10.719  -1.915
  389    HA   ASP  54           HA       ASP  54  -3.549  12.068  -3.732
  390   1HB   ASP  54           HBS      ASP  54  -0.642  11.550  -3.150
  391   2HB   ASP  54           HBR      ASP  54  -1.214  12.748  -4.345
  392    H    GLY  55           HN       GLY  55  -3.931   9.225  -4.235
  393   1HA   GLY  55           HAR      GLY  55  -4.694   8.468  -6.339
  394   2HA   GLY  55           HAS      GLY  55  -3.412   9.417  -7.138
  395    H    GLU  56           HN       GLU  56  -1.429   8.400  -5.099
  396    HA   GLU  56           HA       GLU  56  -1.112   5.603  -6.110
  397   1HB   GLU  56           HBR      GLU  56   1.229   5.877  -5.742
  398   2HB   GLU  56           HBS      GLU  56   0.626   7.038  -6.793
  399   1HG   GLU  56           HGS      GLU  56   0.516   8.758  -5.073
  400   2HG   GLU  56           HGR      GLU  56   1.249   7.662  -3.869
  401    H    ILE  57           HN       ILE  57   0.191   4.318  -4.406
  402    HA   ILE  57           HA       ILE  57  -1.407   4.583  -1.906
  403    HB   ILE  57           HB       ILE  57  -1.938   2.190  -2.126
  404   1HG1  ILE  57           HG1      ILE  57  -0.561   2.232  -4.835
  405   2HG1  ILE  57           HG1      ILE  57   0.227   1.665  -3.335
  406   1HG2  ILE  57           HMG      ILE  57  -3.328   3.992  -3.280
  407   2HG2  ILE  57           HMG      ILE  57  -2.597   3.411  -4.800
  408   3HG2  ILE  57           HMG      ILE  57  -3.570   2.302  -3.796
  409   1HD1  ILE  57           HMD      ILE  57  -2.403   0.481  -4.173
  410   2HD1  ILE  57           HMD      ILE  57  -0.895  -0.041  -4.971
  411   3HD1  ILE  57           HMD      ILE  57  -1.083  -0.233  -3.208
  412    OH   TYR  58           OH       TYR  58   7.314   5.537   2.092
  413    H    TYR  58           HN       TYR  58  -0.716   3.184  -0.148
  414    HA   TYR  58           HA       TYR  58   2.061   2.507   0.224
  415   1HB   TYR  58           HBR      TYR  58   1.782   5.139  -0.308
  416   2HB   TYR  58           HBS      TYR  58   1.389   5.165   1.434
  417    HD1  TYR  58           HD1      TYR  58   3.143   4.001   3.006
  418    HD2  TYR  58           HD2      TYR  58   3.972   5.453  -0.903
  419    HE1  TYR  58           HE1      TYR  58   5.482   4.395   3.655
  420    HE2  TYR  58           HE2      TYR  58   6.306   5.863  -0.265
  421    HH   TYR  58           HH       TYR  58   7.157   6.426   2.699
  422    H    CYS  59           HN       CYS  59   2.450   1.881   2.339
  423    HA   CYS  59           HA       CYS  59  -0.134   0.894   3.204
  424   1HB   CYS  59           HBS      CYS  59   0.852  -1.093   3.749
  425   2HB   CYS  59           HBR      CYS  59   1.626  -0.532   2.249
  426    H    LYS  60           HN       LYS  60  -0.460   0.049   5.407
  427    HA   LYS  60           HA       LYS  60   0.077   2.166   7.408
  428   1HB   LYS  60           HBR      LYS  60  -2.154   0.793   7.110
  429   2HB   LYS  60           HBS      LYS  60  -1.257  -0.459   8.015
  430   1HG   LYS  60           HGR      LYS  60  -0.986   2.124   9.313
  431   2HG   LYS  60           HGS      LYS  60  -2.709   1.724   9.061
  432   1HD   LYS  60           HDS      LYS  60  -1.092  -0.508  10.062
  433   2HD   LYS  60           HDR      LYS  60  -1.106   0.877  11.119
  434   1HE   LYS  60           HES      LYS  60  -3.411   0.822  11.434
  435   2HE   LYS  60           HER      LYS  60  -3.658  -0.200   9.991
  436   1HZ   LYS  60           HZB      LYS  60  -2.453  -1.945  11.195
  437   2HZ   LYS  60           HZC      LYS  60  -2.433  -1.010  12.535
  438   3HZ   LYS  60           HZA      LYS  60  -3.856  -1.524  11.920
  439    H    GLY  61           HN       GLY  61   1.223  -0.875   6.235
  440   1HA   GLY  61           HAR      GLY  61   2.931  -1.678   8.339
  441   2HA   GLY  61           HAS      GLY  61   3.226  -1.929   6.599
  442    H    CYS  62           HN       CYS  62   2.899   1.195   6.466
  443    HA   CYS  62           HA       CYS  62   5.782   1.640   6.844
  444   1HB   CYS  62           HBS      CYS  62   3.735   2.240   4.809
  445   2HB   CYS  62           HBR      CYS  62   4.873   3.576   5.137
  446    OH   TYR  63           OH       TYR  63   0.375  10.631   8.162
  447    H    TYR  63           HN       TYR  63   2.694   3.427   6.998
  448    HA   TYR  63           HA       TYR  63   3.555   5.596   8.581
  449   1HB   TYR  63           HBR      TYR  63   1.125   4.647   7.559
  450   2HB   TYR  63           HBS      TYR  63   0.908   4.637   9.333
  451    HD1  TYR  63           HD2      TYR  63   2.546   6.927   6.848
  452    HD2  TYR  63           HD1      TYR  63  -0.185   6.560  10.088
  453    HE1  TYR  63           HE2      TYR  63   2.072   9.331   6.711
  454    HE2  TYR  63           HE1      TYR  63  -0.656   8.968   9.972
  455    HH   TYR  63           HH       TYR  63  -0.711  10.653   8.127
  456    H    ALA  64           HN       ALA  64   3.337   2.250   9.307
  457    HA   ALA  64           HA       ALA  64   3.706   2.794  12.189
  458   1HB   ALA  64           HMB      ALA  64   2.357   0.839  10.912
  459   2HB   ALA  64           HMB      ALA  64   3.936   0.041  11.130
  460   3HB   ALA  64           HMB      ALA  64   3.056   0.675  12.544
  461    H    LYS  65           HN       LYS  65   5.346   0.702   9.776
  462    HA   LYS  65           HA       LYS  65   7.318  -0.033  11.484
  463   1HB   LYS  65           HBR      LYS  65   7.265   0.075   8.473
  464   2HB   LYS  65           HBS      LYS  65   8.713  -0.504   9.345
  465   1HG   LYS  65           HGR      LYS  65   7.351  -2.238  10.453
  466   2HG   LYS  65           HGS      LYS  65   5.906  -1.663   9.571
  467   1HD   LYS  65           HDS      LYS  65   6.399  -3.217   8.084
  468   2HD   LYS  65           HDR      LYS  65   7.556  -2.049   7.511
  469   1HE   LYS  65           HES      LYS  65   9.132  -3.571   7.778
  470   2HE   LYS  65           HER      LYS  65   8.915  -3.350   9.537
  471   1HZ   LYS  65           HZC      LYS  65   7.290  -5.220   7.970
  472   2HZ   LYS  65           HZA      LYS  65   8.696  -5.660   8.673
  473   3HZ   LYS  65           HZB      LYS  65   7.451  -5.143   9.594
  474    H    ASN  66           HN       ASN  66   7.265   2.862   9.507
  475    HA   ASN  66           HA       ASN  66   9.528   3.873  10.999
  476   1HB   ASN  66           HBS      ASN  66   9.731   3.572   8.009
  477   2HB   ASN  66           HBR      ASN  66  10.708   4.727   8.963
  478   1HD2  ASN  66           HD2      ASN  66  12.996   2.369  10.127
  479   2HD2  ASN  66           HD2      ASN  66  12.479   4.021  10.058
  480    H    PHE  67           HN       PHE  67   6.626   4.242  10.666
  481    HA   PHE  67           HA       PHE  67   5.000   5.796  10.226
  482   1HB   PHE  67           HBR      PHE  67   6.923   7.054  11.721
  483   2HB   PHE  67           HBS      PHE  67   6.843   8.121  10.289
  484    HD1  PHE  67           HD2      PHE  67   3.910   7.943   9.612
  485    HD2  PHE  67           HD1      PHE  67   5.897   8.149  13.375
  486    HE1  PHE  67           HE2      PHE  67   1.947   9.096  10.578
  487    HE2  PHE  67           HE1      PHE  67   3.944   9.250  14.370
  488    HZ   PHE  67           HZ       PHE  67   1.988   9.776  12.961
  489    H    GLY  68           HN       GLY  68   6.881   4.858   7.981
  490   1HA   GLY  68           HAR      GLY  68   5.904   6.186   5.743
  491   2HA   GLY  68           HAS      GLY  68   7.375   7.085   6.209
  492    HA   PRO  69           HA       PRO  69   8.688   4.017   3.291
  493   1HB   PRO  69           HBR      PRO  69  11.030   5.222   2.720
  494   2HB   PRO  69           HBS      PRO  69   9.628   5.428   1.892
  495   1HG   PRO  69           HGS      PRO  69  10.852   7.177   3.686
  496   2HG   PRO  69           HGR      PRO  69   9.715   7.520   2.514
  497   1HD   PRO  69           HDS      PRO  69   9.214   7.408   5.140
  498   2HD   PRO  69           HDR      PRO  69   8.064   7.345   3.953
  499    H    LYS  70           HN       LYS  70   9.970   2.258   3.064
  500    HA   LYS  70           HA       LYS  70  11.492   0.658   3.675
  501   1HB   LYS  70           HBR      LYS  70  12.852   2.961   3.387
  502   2HB   LYS  70           HBS      LYS  70  13.195   2.632   5.110
  503   1HG   LYS  70           HGR      LYS  70  14.985   1.654   3.901
  504   2HG   LYS  70           HGS      LYS  70  13.924   0.297   4.374
  505   1HD   LYS  70           HDS      LYS  70  12.868   0.915   1.968
  506   2HD   LYS  70           HDR      LYS  70  14.515   1.425   1.710
  507   1HE   LYS  70           HES      LYS  70  14.984  -0.671   1.190
  508   2HE   LYS  70           HER      LYS  70  14.835  -1.014   2.936
  509   1HZ   LYS  70           HZA      LYS  70  12.480  -1.434   2.526
  510   2HZ   LYS  70           HZB      LYS  70  12.710  -1.246   0.920
  511   3HZ   LYS  70           HZC      LYS  70  13.444  -2.471   1.713
  512    H    GLY  71           HN       GLY  71  10.688  -0.680   5.144
  513   1HA   GLY  71           HAS      GLY  71  11.645  -0.319   7.890
  514   2HA   GLY  71           HAR      GLY  71   9.881  -0.533   7.728
  515    H    PHE  72           HN       PHE  72  12.323  -2.200   8.696
  516    HA   PHE  72           HA       PHE  72  11.423  -4.803   7.778
  517   1HB   PHE  72           HBS      PHE  72  13.551  -5.496   6.753
  518   2HB   PHE  72           HBR      PHE  72  12.758  -4.201   5.810
  519    HD1  PHE  72           HD2      PHE  72  13.628  -1.708   6.469
  520    HD2  PHE  72           HD1      PHE  72  15.703  -5.345   7.258
  521    HE1  PHE  72           HE2      PHE  72  15.763  -0.462   6.571
  522    HE2  PHE  72           HE1      PHE  72  17.833  -4.132   7.362
  523    HZ   PHE  72           HZ       PHE  72  17.875  -1.699   6.959
  524    H    GLY  73           HN       GLY  73  14.005  -2.858   9.272
  525   1HA   GLY  73           HAS      GLY  73  14.968  -3.007  11.370
  526   2HA   GLY  73           HAR      GLY  73  13.723  -4.200  11.824
  527    H    PHE  74           HN       PHE  74  13.982  -6.408  11.007
  528    HA   PHE  74           HA       PHE  74  16.814  -7.130  10.430
  529   1HB   PHE  74           HBS      PHE  74  15.581  -7.595  12.855
  530   2HB   PHE  74           HBR      PHE  74  15.265  -9.119  11.974
  531    HD1  PHE  74           HD2      PHE  74  17.666  -9.684  10.456
  532    HD2  PHE  74           HD1      PHE  74  17.251  -7.854  14.282
  533    HE1  PHE  74           HE2      PHE  74  19.985 -10.337  11.015
  534    HE2  PHE  74           HE1      PHE  74  19.549  -8.488  14.858
  535    HZ   PHE  74           HZ       PHE  74  20.940  -9.675  13.204
  536    H    GLY  75           HN       GLY  75  13.449  -8.356  10.460
  537   1HA   GLY  75           HAR      GLY  75  12.891  -9.055   8.023
  538   2HA   GLY  75           HAS      GLY  75  14.134 -10.302   8.312
  539    H    GLN  76           HN       GLN  76  11.164  -8.927   9.765
  540    HA   GLN  76           HA       GLN  76  10.361 -11.684  10.535
  541   1HB   GLN  76           HBR      GLN  76  10.383  -9.961  12.369
  542   2HB   GLN  76           HBS      GLN  76   9.060  -9.135  11.499
  543   1HG   GLN  76           HGS      GLN  76   8.283 -10.602  13.343
  544   2HG   GLN  76           HGR      GLN  76   7.624 -11.043  11.743
  545   1HE2  GLN  76           HE2      GLN  76   8.726 -14.295  11.832
  546   2HE2  GLN  76           HE2      GLN  76   7.688 -13.076  11.173
  547    H    GLY  77           HN       GLY  77   9.104 -12.646   9.166
  548   1HA   GLY  77           HAS      GLY  77   6.793 -12.260   7.946
  549   2HA   GLY  77           HAR      GLY  77   7.752 -11.024   7.088
  550    H    ALA  78           HN       ALA  78   9.982 -11.896   6.338
  551    HA   ALA  78           HA       ALA  78  11.245 -13.320   5.069
  552   1HB   ALA  78           HMB      ALA  78  10.688 -14.566   7.375
  553   2HB   ALA  78           HMB      ALA  78   9.932 -15.714   6.240
  554   3HB   ALA  78           HMB      ALA  78  11.658 -15.301   6.073
  555    H    GLY  79           HN       GLY  79  10.782 -13.267   2.996
  556   1HA   GLY  79           HAR      GLY  79  10.113 -15.326   1.513
  557   2HA   GLY  79           HAS      GLY  79   8.464 -14.765   1.900
  558    H    ALA  80           HN       ALA  80   9.781 -14.900  -0.690
  559    HA   ALA  80           HA       ALA  80   9.662 -13.707  -2.644
  560   1HB   ALA  80           HMB      ALA  80   8.004 -12.102  -0.797
  561   2HB   ALA  80           HMB      ALA  80   8.676 -11.228  -2.197
  562   3HB   ALA  80           HMB      ALA  80   7.676 -12.680  -2.450
  563    H    LEU  81           HN       LEU  81  11.861 -13.604  -0.633
  564    HA   LEU  81           HA       LEU  81  13.312 -11.479  -2.095
  565   1HB   LEU  81           HBS      LEU  81  13.258 -11.973   0.877
  566   2HB   LEU  81           HBR      LEU  81  14.690 -11.256   0.084
  567    HG   LEU  81           HG       LEU  81  13.426  -9.477   0.996
  568   1HD1  LEU  81           HMD      LEU  81  13.978  -9.679  -1.714
  569   2HD1  LEU  81           HMD      LEU  81  12.287  -9.122  -1.674
  570   3HD1  LEU  81           HMD      LEU  81  13.551  -8.191  -0.833
  571   1HD2  LEU  81           HMD      LEU  81  11.313 -11.126   0.858
  572   2HD2  LEU  81           HMD      LEU  81  11.152  -9.361   1.042
  573   3HD2  LEU  81           HMD      LEU  81  10.970 -10.110  -0.566
  574    H    ILE  82           HN       ILE  82  13.350 -13.705  -3.265
  575    HA   ILE  82           HA       ILE  82  14.835 -15.832  -2.092
  576    HB   ILE  82           HB       ILE  82  13.099 -16.154  -3.825
  577   1HG1  ILE  82           HG1      ILE  82  15.238 -17.360  -5.353
  578   2HG1  ILE  82           HG1      ILE  82  15.640 -17.401  -3.613
  579   1HG2  ILE  82           HMG      ILE  82  14.392 -14.138  -5.231
  580   2HG2  ILE  82           HMG      ILE  82  14.732 -15.619  -6.166
  581   3HG2  ILE  82           HMG      ILE  82  13.046 -15.159  -5.806
  582   1HD1  ILE  82           HMD      ILE  82  13.500 -18.511  -3.149
  583   2HD1  ILE  82           HMD      ILE  82  13.105 -18.475  -4.888
  584   3HD1  ILE  82           HMD      ILE  82  14.489 -19.440  -4.308
  585    H    HIS  83           HN       HIS  83  16.746 -14.840  -1.348
  586    HA   HIS  83           HA       HIS  83  18.808 -14.919  -3.469
  587   1HB   HIS  83           HBR      HIS  83  19.123 -13.060  -1.086
  588   2HB   HIS  83           HBS      HIS  83  20.147 -13.197  -2.544
  589    HD1  HIS  83           HD1      HIS  83  18.662 -12.548  -4.893
  590    HD2  HIS  83           HD2      HIS  83  17.395 -11.019  -1.231
  591    HE1  HIS  83           HE1      HIS  83  17.062 -10.693  -5.418
  592    HE2  HIS  83           HE2      HIS  83  16.275  -9.778  -3.206
  593    H    SER  84           HN       SER  84  19.699 -16.807  -3.098
  594    HA   SER  84           HA       SER  84  19.820 -17.827  -0.342
  595   1HB   SER  84           HBS      SER  84  20.373 -19.282  -2.938
  596   2HB   SER  84           HBR      SER  84  20.116 -19.995  -1.320
  597    HG   SER  84           HG       SER  84  18.098 -19.998  -1.571
  598    H    GLN  85           HN       GLN  85  21.826 -19.714  -0.640
  599    HA   GLN  85           HA       GLN  85  24.041 -19.963  -0.173
  600   1HB   GLN  85           HBS      GLN  85  24.111 -18.236  -2.398
  601   2HB   GLN  85           HBR      GLN  85  25.208 -17.535  -1.172
  602   1HG   GLN  85           HGS      GLN  85  25.368 -20.469  -1.732
  603   2HG   GLN  85           HGR      GLN  85  26.035 -19.330  -2.936
  604   1HE2  GLN  85           HE2      GLN  85  27.870 -20.044   0.643
  605   2HE2  GLN  85           HE2      GLN  85  26.276 -20.629   0.301
   
  Start of MODEL          10
 Raw file had  605 H/Q atoms
  Start of MODEL   10
    1   1H    MET   1           HN       MET   1 -17.191   4.710 -17.745
    2   2H    MET   1           HNB      MET   1 -16.535   3.405 -18.476
    3   3H    MET   1           HNC      MET   1 -18.080   3.356 -17.951
    4    HA   MET   1           HA       MET   1 -16.912   2.134 -16.419
    5   1HB   MET   1           HBR      MET   1 -14.807   3.753 -17.282
    6   2HB   MET   1           HBS      MET   1 -15.003   4.161 -15.559
    7   1HG   MET   1           HGS      MET   1 -14.942   1.268 -16.509
    8   2HG   MET   1           HGR      MET   1 -13.443   2.176 -16.209
    9   1HE   MET   1           HME      MET   1 -12.482   2.632 -14.436
   10   2HE   MET   1           HME      MET   1 -13.115   2.957 -12.802
   11   3HE   MET   1           HME      MET   1 -12.570   1.318 -13.236
   12    H    ALA   2           HN       ALA   2 -19.049   2.659 -15.677
   13    HA   ALA   2           HA       ALA   2 -18.923   4.545 -13.382
   14   1HB   ALA   2           HMB      ALA   2 -20.801   4.569 -15.578
   15   2HB   ALA   2           HMB      ALA   2 -21.631   4.226 -14.038
   16   3HB   ALA   2           HMB      ALA   2 -20.629   5.691 -14.204
   17    H    GLN   3           HN       GLN   3 -20.736   3.917 -11.791
   18    HA   GLN   3           HA       GLN   3 -20.495   1.168 -10.997
   19   1HB   GLN   3           HBR      GLN   3 -22.368   1.691  -9.441
   20   2HB   GLN   3           HBS      GLN   3 -20.925   2.733  -9.283
   21   1HG   GLN   3           HGS      GLN   3 -22.893   3.839 -11.128
   22   2HG   GLN   3           HGR      GLN   3 -23.574   3.556  -9.500
   23   1HE2  GLN   3           HE2      GLN   3 -22.306   6.502  -8.285
   24   2HE2  GLN   3           HE2      GLN   3 -23.597   5.353  -8.403
   25    H    LYS   4           HN       LYS   4 -21.055  -0.189 -12.601
   26    HA   LYS   4           HA       LYS   4 -23.094   0.239 -14.464
   27   1HB   LYS   4           HBR      LYS   4 -21.964  -2.422 -13.535
   28   2HB   LYS   4           HBS      LYS   4 -22.888  -2.128 -15.036
   29   1HG   LYS   4           HGR      LYS   4 -20.285  -0.694 -14.433
   30   2HG   LYS   4           HGS      LYS   4 -20.333  -2.289 -15.237
   31   1HD   LYS   4           HDS      LYS   4 -22.195  -0.657 -16.581
   32   2HD   LYS   4           HDR      LYS   4 -20.793   0.340 -16.305
   33   1HE   LYS   4           HES      LYS   4 -19.459  -0.834 -17.688
   34   2HE   LYS   4           HER      LYS   4 -20.244  -2.385 -17.281
   35   1HZ   LYS   4           HZB      LYS   4 -22.183  -1.425 -18.567
   36   2HZ   LYS   4           HZC      LYS   4 -21.121  -0.347 -19.182
   37   3HZ   LYS   4           HZA      LYS   4 -20.895  -1.945 -19.427
   38    H    VAL   5           HN       VAL   5 -23.125  -1.603 -11.416
   39    HA   VAL   5           HA       VAL   5 -26.078  -1.840 -11.651
   40    HB   VAL   5           HB       VAL   5 -25.687  -4.155 -10.593
   41   1HG1  VAL   5           HMG      VAL   5 -26.644  -3.841 -12.809
   42   2HG1  VAL   5           HMG      VAL   5 -25.015  -3.687 -13.512
   43   3HG1  VAL   5           HMG      VAL   5 -25.532  -5.231 -12.793
   44   1HG2  VAL   5           HMG      VAL   5 -22.956  -3.364 -11.090
   45   2HG2  VAL   5           HMG      VAL   5 -23.597  -4.780 -10.221
   46   3HG2  VAL   5           HMG      VAL   5 -23.359  -4.851 -11.983
   47    H    GLY   6           HN       GLY   6 -24.070  -0.143 -10.102
   48   1HA   GLY   6           HAS      GLY   6 -24.123   0.931  -8.068
   49   2HA   GLY   6           HAR      GLY   6 -25.789   0.305  -7.964
   50    H    GLY   7           HN       GLY   7 -23.293  -2.051  -8.283
   51   1HA   GLY   7           HAS      GLY   7 -22.917  -2.639  -5.454
   52   2HA   GLY   7           HAR      GLY   7 -24.182  -3.629  -6.229
   53    H    SER   8           HN       SER   8 -21.289  -2.345  -7.824
   54    HA   SER   8           HA       SER   8 -19.812  -4.814  -7.403
   55   1HB   SER   8           HBS      SER   8 -21.281  -4.591  -9.780
   56   2HB   SER   8           HBR      SER   8 -19.589  -4.219 -10.220
   57    HG   SER   8           HG       SER   8 -18.948  -6.143  -9.900
   58    H    ASP   9           HN       ASP   9 -17.589  -4.617  -8.324
   59    HA   ASP   9           HA       ASP   9 -16.651  -2.056  -9.083
   60   1HB   ASP   9           HBS      ASP   9 -16.778  -2.435  -6.264
   61   2HB   ASP   9           HBR      ASP   9 -15.064  -2.385  -6.771
   62    H    GLY  10           HN       GLY  10 -14.764  -2.180 -10.110
   63   1HA   GLY  10           HAR      GLY  10 -13.875  -4.986 -10.533
   64   2HA   GLY  10           HAS      GLY  10 -14.013  -3.724 -11.787
   65    H    CYS  11           HN       CYS  11 -11.724  -5.150 -11.651
   66    HA   CYS  11           HA       CYS  11  -9.771  -3.470 -10.166
   67   1HB   CYS  11           HBS      CYS  11 -10.261  -5.914  -9.513
   68   2HB   CYS  11           HBR      CYS  11  -9.383  -6.334 -11.012
   69    HA   PRO  12           HA       PRO  12  -8.101  -2.573 -14.222
   70   1HB   PRO  12           HBR      PRO  12  -6.713  -0.536 -12.994
   71   2HB   PRO  12           HBS      PRO  12  -7.916  -0.392 -14.102
   72   1HG   PRO  12           HGS      PRO  12  -8.083   0.274 -11.515
   73   2HG   PRO  12           HGR      PRO  12  -9.365   0.174 -12.578
   74   1HD   PRO  12           HDS      PRO  12  -8.625  -1.631 -10.559
   75   2HD   PRO  12           HDR      PRO  12 -10.083  -1.488 -11.328
   76    NH1  ARG  13           NH1      ARG  13  -1.945  -1.848 -12.053
   77    NH2  ARG  13           NH2      ARG  13  -0.128  -1.309 -10.753
   78    H    ARG  13           HN       ARG  13  -6.946  -3.652 -11.331
   79    HA   ARG  13           HA       ARG  13  -4.148  -3.377 -11.907
   80   1HB   ARG  13           HBR      ARG  13  -5.705  -3.858  -9.645
   81   2HB   ARG  13           HBS      ARG  13  -4.787  -5.374  -9.880
   82   1HG   ARG  13           HGS      ARG  13  -3.632  -3.817  -8.367
   83   2HG   ARG  13           HGR      ARG  13  -2.686  -4.135  -9.849
   84   1HD   ARG  13           HDS      ARG  13  -3.987  -2.002 -10.697
   85   2HD   ARG  13           HDR      ARG  13  -4.083  -1.669  -8.945
   86    HE   ARG  13           HE       ARG  13  -1.755  -1.385  -8.883
   87   1HH1  ARG  13           HH1      ARG  13  -2.914  -2.076 -12.140
   88   2HH1  ARG  13           HH1      ARG  13  -1.371  -1.779 -12.869
   89   1HH2  ARG  13           HH2      ARG  13   0.276  -1.130  -9.857
   90   2HH2  ARG  13           HH2      ARG  13   0.434  -1.242 -11.578
   91    H    CYS  14           HN       CYS  14  -6.264  -6.254 -11.560
   92    HA   CYS  14           HA       CYS  14  -4.135  -7.894 -12.826
   93   1HB   CYS  14           HBR      CYS  14  -5.472  -9.831 -12.090
   94   2HB   CYS  14           HBS      CYS  14  -4.843  -8.819 -10.760
   95    H    GLY  15           HN       GLY  15  -7.232  -6.437 -13.300
   96   1HA   GLY  15           HAS      GLY  15  -8.086  -6.016 -15.455
   97   2HA   GLY  15           HAR      GLY  15  -7.233  -7.457 -16.069
   98    H    GLN  16           HN       GLN  16  -8.920  -7.836 -13.086
   99    HA   GLN  16           HA       GLN  16 -11.230  -9.089 -14.477
  100   1HB   GLN  16           HBS      GLN  16  -9.707  -9.939 -12.179
  101   2HB   GLN  16           HBR      GLN  16 -11.418  -9.670 -11.740
  102   1HG   GLN  16           HGS      GLN  16 -12.184 -11.330 -13.129
  103   2HG   GLN  16           HGR      GLN  16 -10.779 -11.211 -14.226
  104   1HE2  GLN  16           HE2      GLN  16  -9.908 -12.989 -10.627
  105   2HE2  GLN  16           HE2      GLN  16 -10.684 -11.443 -10.701
  106    H    ALA  17           HN       ALA  17 -13.284  -8.880 -13.128
  107    HA   ALA  17           HA       ALA  17 -13.388  -6.344 -11.607
  108   1HB   ALA  17           HMB      ALA  17 -14.314  -5.958 -13.901
  109   2HB   ALA  17           HMB      ALA  17 -15.559  -7.183 -13.544
  110   3HB   ALA  17           HMB      ALA  17 -15.470  -5.693 -12.571
  111    H    VAL  18           HN       VAL  18 -14.865  -6.359  -9.922
  112    HA   VAL  18           HA       VAL  18 -15.298  -9.126  -8.988
  113    HB   VAL  18           HB       VAL  18 -15.114  -6.658  -7.268
  114   1HG1  VAL  18           HMG      VAL  18 -15.229  -9.549  -6.793
  115   2HG1  VAL  18           HMG      VAL  18 -13.910  -8.725  -5.925
  116   3HG1  VAL  18           HMG      VAL  18 -15.592  -8.181  -5.711
  117   1HG2  VAL  18           HMG      VAL  18 -12.940  -8.047  -8.733
  118   2HG2  VAL  18           HMG      VAL  18 -13.072  -6.360  -8.181
  119   3HG2  VAL  18           HMG      VAL  18 -12.634  -7.643  -7.026
  120    OH   TYR  19           OH       TYR  19 -25.343  -9.529  -9.707
  121    H    TYR  19           HN       TYR  19 -17.152  -9.863  -8.184
  122    HA   TYR  19           HA       TYR  19 -19.496  -8.031  -8.321
  123   1HB   TYR  19           HBS      TYR  19 -19.261  -9.777 -10.128
  124   2HB   TYR  19           HBR      TYR  19 -19.459 -11.020  -8.860
  125    HD1  TYR  19           HD2      TYR  19 -21.182  -7.859  -9.928
  126    HD2  TYR  19           HD1      TYR  19 -21.611 -11.914  -8.718
  127    HE1  TYR  19           HE2      TYR  19 -23.614  -7.677 -10.209
  128    HE2  TYR  19           HE1      TYR  19 -24.045 -11.751  -9.013
  129    HH   TYR  19           HH       TYR  19 -25.617 -10.238 -10.486
  130    H    ALA  20           HN       ALA  20 -17.850 -10.581  -6.550
  131    HA   ALA  20           HA       ALA  20 -19.855 -10.410  -4.362
  132   1HB   ALA  20           HMB      ALA  20 -17.645 -12.316  -5.059
  133   2HB   ALA  20           HMB      ALA  20 -18.175 -12.141  -3.367
  134   3HB   ALA  20           HMB      ALA  20 -19.342 -12.637  -4.619
  135    H    ALA  21           HN       ALA  21 -17.805  -8.364  -5.390
  136    HA   ALA  21           HA       ALA  21 -16.680  -6.621  -4.421
  137   1HB   ALA  21           HMB      ALA  21 -18.654  -7.632  -2.473
  138   2HB   ALA  21           HMB      ALA  21 -17.370  -6.599  -1.794
  139   3HB   ALA  21           HMB      ALA  21 -18.393  -5.991  -3.119
  140    H    GLU  22           HN       GLU  22 -14.566  -7.106  -4.560
  141    HA   GLU  22           HA       GLU  22 -13.353  -7.809  -1.947
  142   1HB   GLU  22           HBS      GLU  22 -13.131  -9.253  -4.293
  143   2HB   GLU  22           HBR      GLU  22 -11.712  -8.358  -4.323
  144   1HG   GLU  22           HGR      GLU  22 -10.820 -10.021  -2.899
  145   2HG   GLU  22           HGS      GLU  22 -11.886  -9.278  -1.676
  146    H    LYS  23           HN       LYS  23 -14.284  -5.373  -3.411
  147    HA   LYS  23           HA       LYS  23 -11.884  -4.234  -4.621
  148   1HB   LYS  23           HBS      LYS  23 -13.434  -2.396  -5.278
  149   2HB   LYS  23           HBR      LYS  23 -13.917  -4.017  -5.856
  150   1HG   LYS  23           HGR      LYS  23 -15.959  -3.502  -5.068
  151   2HG   LYS  23           HGS      LYS  23 -15.265  -3.804  -3.450
  152   1HD   LYS  23           HDS      LYS  23 -14.514  -1.259  -3.751
  153   2HD   LYS  23           HDR      LYS  23 -15.895  -1.246  -4.813
  154   1HE   LYS  23           HES      LYS  23 -16.590  -0.538  -2.635
  155   2HE   LYS  23           HER      LYS  23 -17.313  -2.125  -3.021
  156   1HZ   LYS  23           HZC      LYS  23 -15.376  -3.056  -1.761
  157   2HZ   LYS  23           HZA      LYS  23 -15.094  -1.550  -1.200
  158   3HZ   LYS  23           HZB      LYS  23 -16.510  -2.292  -0.869
  159    H    VAL  24           HN       VAL  24 -10.494  -3.096  -3.499
  160    HA   VAL  24           HA       VAL  24 -11.375  -1.256  -1.361
  161    HB   VAL  24           HB       VAL  24  -8.955  -0.566  -1.398
  162   1HG1  VAL  24           HMG      VAL  24 -10.092  -2.367   0.116
  163   2HG1  VAL  24           HMG      VAL  24  -9.075  -3.503  -0.802
  164   3HG1  VAL  24           HMG      VAL  24  -8.323  -2.177   0.116
  165   1HG2  VAL  24           HMG      VAL  24  -8.902  -2.258  -3.701
  166   2HG2  VAL  24           HMG      VAL  24  -7.613  -1.240  -3.015
  167   3HG2  VAL  24           HMG      VAL  24  -7.806  -2.923  -2.466
  168    H    ILE  25           HN       ILE  25 -10.190   1.006  -1.761
  169    HA   ILE  25           HA       ILE  25 -10.238   1.780  -4.599
  170    HB   ILE  25           HB       ILE  25 -11.451   3.964  -3.860
  171   1HG1  ILE  25           HG1      ILE  25 -12.811   2.261  -1.788
  172   2HG1  ILE  25           HG1      ILE  25 -11.252   3.036  -1.387
  173   1HG2  ILE  25           HMG      ILE  25 -12.806   1.317  -4.288
  174   2HG2  ILE  25           HMG      ILE  25 -13.752   2.811  -4.056
  175   3HG2  ILE  25           HMG      ILE  25 -12.601   2.687  -5.412
  176   1HD1  ILE  25           HMD      ILE  25 -12.983   4.970  -2.616
  177   2HD1  ILE  25           HMD      ILE  25 -13.849   4.158  -1.285
  178   3HD1  ILE  25           HMD      ILE  25 -12.284   4.958  -0.976
  179    H    GLY  26           HN       GLY  26  -8.700   3.200  -5.110
  180   1HA   GLY  26           HAR      GLY  26  -7.405   4.755  -2.924
  181   2HA   GLY  26           HAS      GLY  26  -6.414   3.984  -4.191
  182    H    ALA  27           HN       ALA  27  -5.653   5.730  -5.246
  183    HA   ALA  27           HA       ALA  27  -7.038   8.161  -5.511
  184   1HB   ALA  27           HMB      ALA  27  -4.587   7.887  -5.564
  185   2HB   ALA  27           HMB      ALA  27  -4.720   7.146  -7.179
  186   3HB   ALA  27           HMB      ALA  27  -5.209   8.842  -6.934
  187    H    GLY  28           HN       GLY  28  -9.087   7.659  -6.351
  188   1HA   GLY  28           HAS      GLY  28 -10.706   7.354  -7.961
  189   2HA   GLY  28           HAR      GLY  28  -9.481   7.799  -9.179
  190    H    LYS  29           HN       LYS  29  -8.623   5.237  -7.041
  191    HA   LYS  29           HA       LYS  29  -8.830   3.350  -9.315
  192   1HB   LYS  29           HBR      LYS  29  -6.953   3.681  -6.991
  193   2HB   LYS  29           HBS      LYS  29  -7.150   2.079  -7.758
  194   1HG   LYS  29           HGR      LYS  29  -6.798   3.936  -9.871
  195   2HG   LYS  29           HGS      LYS  29  -5.584   4.351  -8.626
  196   1HD   LYS  29           HDS      LYS  29  -4.470   2.389  -8.810
  197   2HD   LYS  29           HDR      LYS  29  -5.895   1.490  -9.256
  198   1HE   LYS  29           HES      LYS  29  -4.777   3.497 -11.170
  199   2HE   LYS  29           HER      LYS  29  -4.039   1.879 -10.999
  200   1HZ   LYS  29           HZB      LYS  29  -6.913   2.192 -11.435
  201   2HZ   LYS  29           HZC      LYS  29  -5.870   2.188 -12.692
  202   3HZ   LYS  29           HZA      LYS  29  -5.971   0.885 -11.711
  203    H    SER  30           HN       SER  30  -8.969   1.020  -8.686
  204    HA   SER  30           HA       SER  30 -10.036   0.421  -6.065
  205   1HB   SER  30           HBS      SER  30 -11.806  -1.090  -7.520
  206   2HB   SER  30           HBR      SER  30 -12.193   0.403  -6.615
  207    HG   SER  30           HG       SER  30 -13.034   0.805  -8.518
  208    CH2  TRP  31           CH2      TRP  31  -3.171   1.041  -6.235
  209    H    TRP  31           HN       TRP  31  -9.773  -1.733  -5.501
  210    HA   TRP  31           HA       TRP  31  -8.091  -3.348  -7.328
  211   1HB   TRP  31           HBS      TRP  31  -7.031  -2.945  -4.592
  212   2HB   TRP  31           HBR      TRP  31  -6.191  -3.185  -6.149
  213    HD1  TRP  31           HD1      TRP  31  -8.484  -0.229  -5.020
  214    HE1  TRP  31           HE1      TRP  31  -7.133   1.947  -5.204
  215    HE3  TRP  31           HE3      TRP  31  -3.994  -2.247  -6.301
  216    HZ2  TRP  31           HZ2      TRP  31  -4.499   2.682  -5.830
  217    HZ3  TRP  31           HZ3      TRP  31  -2.057  -0.757  -6.503
  218    HH2  TRP  31           HH2      TRP  31  -2.311   1.666  -6.362
  219    H    HIS  32           HN       ZHI  32  -7.685  -5.476  -6.607
  220    HA   HIS  32           HA       ZHI  32  -9.631  -6.642  -4.741
  221   1HB   HIS  32           HBS      ZHI  32  -7.280  -7.887  -6.232
  222   2HB   HIS  32           HBR      ZHI  32  -8.337  -8.762  -5.086
  223    HD2  HIS  32           HD2      ZHI  32 -11.112  -8.813  -5.957
  224    HE1  HIS  32           HE1      ZHI  32 -10.010  -8.706 -10.019
  225    HE2  HIS  32           HE2      ZHI  32 -11.800  -9.396  -8.385
  226    H    LYS  33           HN       LYS  33  -9.102  -7.536  -2.766
  227    HA   LYS  33           HA       LYS  33  -7.148  -6.399  -1.144
  228   1HB   LYS  33           HBR      LYS  33  -7.484  -8.261   0.387
  229   2HB   LYS  33           HBS      LYS  33  -9.039  -7.658  -0.258
  230   1HG   LYS  33           HGR      LYS  33  -9.484  -9.856  -0.564
  231   2HG   LYS  33           HGS      LYS  33  -8.487  -9.659  -2.033
  232   1HD   LYS  33           HDS      LYS  33  -7.628 -11.560  -1.059
  233   2HD   LYS  33           HDR      LYS  33  -6.502 -10.291  -0.663
  234   1HE   LYS  33           HES      LYS  33  -6.684 -10.714   1.491
  235   2HE   LYS  33           HER      LYS  33  -8.441 -10.400   1.409
  236   1HZ   LYS  33           HZB      LYS  33  -8.225 -12.834   0.352
  237   2HZ   LYS  33           HZC      LYS  33  -7.043 -12.888   1.477
  238   3HZ   LYS  33           HZA      LYS  33  -8.575 -12.536   1.919
  239    H    SER  34           HN       SER  34  -6.901  -9.035  -3.431
  240    HA   SER  34           HA       SER  34  -4.361  -9.955  -2.450
  241   1HB   SER  34           HBS      SER  34  -6.143 -11.278  -3.720
  242   2HB   SER  34           HBR      SER  34  -5.466 -10.534  -5.198
  243    HG   SER  34           HG       SER  34  -3.322 -11.211  -4.373
  244    H    CYS  35           HN       CYS  35  -5.406  -7.565  -4.759
  245    HA   CYS  35           HA       CYS  35  -2.820  -7.577  -6.144
  246   1HB   CYS  35           HBS      CYS  35  -5.382  -6.058  -6.685
  247   2HB   CYS  35           HBR      CYS  35  -3.914  -6.034  -7.704
  248    H    PHE  36           HN       PHE  36  -3.388  -6.482  -3.328
  249    HA   PHE  36           HA       PHE  36  -2.993  -3.595  -3.761
  250   1HB   PHE  36           HBS      PHE  36  -4.735  -4.780  -2.092
  251   2HB   PHE  36           HBR      PHE  36  -3.329  -4.691  -0.992
  252    HD1  PHE  36           HD2      PHE  36  -2.082  -2.099  -1.686
  253    HD2  PHE  36           HD1      PHE  36  -6.203  -3.183  -1.692
  254    HE1  PHE  36           HE2      PHE  36  -2.696   0.245  -1.172
  255    HE2  PHE  36           HE1      PHE  36  -6.840  -0.839  -1.345
  256    HZ   PHE  36           HZ       PHE  36  -5.090   0.894  -1.215
  257    NH1  ARG  37           NH1      ARG  37   0.521  -6.015  -8.884
  258    NH2  ARG  37           NH2      ARG  37   2.660  -5.216  -9.139
  259    H    ARG  37           HN       ARG  37  -0.916  -3.171  -4.109
  260    HA   ARG  37           HA       ARG  37   1.086  -4.357  -2.250
  261   1HB   ARG  37           HBS      ARG  37   1.302  -3.641  -5.192
  262   2HB   ARG  37           HBR      ARG  37   2.658  -4.183  -4.163
  263   1HG   ARG  37           HGS      ARG  37   2.138  -6.320  -4.501
  264   2HG   ARG  37           HGR      ARG  37   0.451  -6.045  -3.981
  265   1HD   ARG  37           HDS      ARG  37   0.421  -6.888  -6.201
  266   2HD   ARG  37           HDR      ARG  37  -0.031  -5.161  -6.249
  267    HE   ARG  37           HE       ARG  37   2.774  -5.443  -6.671
  268   1HH1  ARG  37           HH1      ARG  37  -0.228  -6.325  -8.297
  269   2HH1  ARG  37           HH1      ARG  37   0.410  -6.013  -9.877
  270   1HH2  ARG  37           HH2      ARG  37   3.530  -4.922  -8.743
  271   2HH2  ARG  37           HH2      ARG  37   2.536  -5.220 -10.130
  272    H    CYS  38           HN       CYS  38   2.092  -2.986  -0.996
  273    HA   CYS  38           HA       CYS  38   2.226  -0.165  -1.328
  274   1HB   CYS  38           HBS      CYS  38   2.619  -1.521   0.774
  275   2HB   CYS  38           HBR      CYS  38   4.252  -1.858   0.131
  276    H    ALA  39           HN       ALA  39   2.925   0.629  -3.189
  277    HA   ALA  39           HA       ALA  39   5.199  -0.091  -4.642
  278   1HB   ALA  39           HMB      ALA  39   3.340   1.632  -5.135
  279   2HB   ALA  39           HMB      ALA  39   4.388   2.782  -4.265
  280   3HB   ALA  39           HMB      ALA  39   4.992   1.950  -5.721
  281    H    LYS  40           HN       LYS  40   4.991   1.241  -1.494
  282    HA   LYS  40           HA       LYS  40   7.350   2.974  -1.662
  283   1HB   LYS  40           HBR      LYS  40   5.161   3.092  -0.095
  284   2HB   LYS  40           HBS      LYS  40   6.244   2.157   0.976
  285   1HG   LYS  40           HGR      LYS  40   7.980   4.032   0.473
  286   2HG   LYS  40           HGS      LYS  40   6.563   4.975  -0.072
  287   1HD   LYS  40           HDS      LYS  40   6.478   5.641   2.044
  288   2HD   LYS  40           HDR      LYS  40   5.592   4.154   2.236
  289   1HE   LYS  40           HES      LYS  40   7.123   4.185   4.005
  290   2HE   LYS  40           HER      LYS  40   7.761   3.023   2.808
  291   1HZ   LYS  40           HZA      LYS  40   8.989   5.133   1.993
  292   2HZ   LYS  40           HZB      LYS  40   8.759   5.652   3.525
  293   3HZ   LYS  40           HZC      LYS  40   9.579   4.267   3.245
  294    H    CYS  41           HN       CYS  41   6.481   0.284   0.545
  295    HA   CYS  41           HA       CYS  41   9.368  -0.012   1.070
  296   1HB   CYS  41           HBS      CYS  41   8.775  -1.288   3.010
  297   2HB   CYS  41           HBR      CYS  41   7.943   0.289   2.985
  298    H    GLY  42           HN       GLY  42   6.862  -1.510  -0.715
  299   1HA   GLY  42           HAR      GLY  42   7.253  -3.040  -2.480
  300   2HA   GLY  42           HAS      GLY  42   8.855  -3.418  -1.794
  301    H    LYS  43           HN       LYS  43   6.250  -3.201   0.453
  302    HA   LYS  43           HA       LYS  43   6.032  -6.164   0.638
  303   1HB   LYS  43           HBS      LYS  43   5.132  -3.961   2.521
  304   2HB   LYS  43           HBR      LYS  43   4.729  -5.691   2.710
  305   1HG   LYS  43           HGR      LYS  43   7.616  -5.112   2.393
  306   2HG   LYS  43           HGS      LYS  43   6.873  -4.443   3.873
  307   1HD   LYS  43           HDS      LYS  43   5.920  -7.093   3.569
  308   2HD   LYS  43           HDR      LYS  43   7.632  -7.133   3.251
  309   1HE   LYS  43           HES      LYS  43   7.020  -7.521   5.631
  310   2HE   LYS  43           HER      LYS  43   8.182  -6.194   5.342
  311   1HZ   LYS  43           HZA      LYS  43   5.703  -5.066   5.249
  312   2HZ   LYS  43           HZB      LYS  43   5.633  -6.088   6.522
  313   3HZ   LYS  43           HZC      LYS  43   6.791  -4.937   6.460
  314    H    SER  44           HN       SER  44   4.470  -7.009  -0.515
  315    HA   SER  44           HA       SER  44   2.050  -5.442  -1.189
  316   1HB   SER  44           HBS      SER  44   1.436  -7.177  -2.661
  317   2HB   SER  44           HBR      SER  44   3.173  -6.868  -2.941
  318    HG   SER  44           HG       SER  44   3.537  -8.578  -1.258
  319    H    LEU  45           HN       LEU  45   0.338  -5.532   0.043
  320    HA   LEU  45           HA       LEU  45   0.082  -7.705   2.046
  321   1HB   LEU  45           HBS      LEU  45  -0.650  -5.456   3.490
  322   2HB   LEU  45           HBR      LEU  45   0.800  -6.406   3.694
  323    HG   LEU  45           HG       LEU  45   1.676  -4.578   1.870
  324   1HD1  LEU  45           HMD      LEU  45  -0.891  -4.024   1.882
  325   2HD1  LEU  45           HMD      LEU  45  -0.460  -3.064   3.322
  326   3HD1  LEU  45           HMD      LEU  45   0.295  -2.701   1.748
  327   1HD2  LEU  45           HMD      LEU  45   1.836  -4.902   4.637
  328   2HD2  LEU  45           HMD      LEU  45   2.747  -3.706   3.683
  329   3HD2  LEU  45           HMD      LEU  45   1.203  -3.248   4.444
  330    H    GLU  46           HN       GLU  46  -1.936  -6.615   3.485
  331    HA   GLU  46           HA       GLU  46  -4.243  -5.992   1.942
  332   1HB   GLU  46           HBS      GLU  46  -5.188  -8.294   2.062
  333   2HB   GLU  46           HBR      GLU  46  -4.189  -7.937   0.761
  334   1HG   GLU  46           HGS      GLU  46  -2.359  -9.206   1.715
  335   2HG   GLU  46           HGR      GLU  46  -3.144  -9.319   3.313
  336    H    SER  47           HN       SER  47  -6.261  -6.648   3.142
  337    HA   SER  47           HA       SER  47  -7.544  -7.091   4.982
  338   1HB   SER  47           HBS      SER  47  -6.098  -9.115   5.207
  339   2HB   SER  47           HBR      SER  47  -5.055  -8.184   6.318
  340    HG   SER  47           HG       SER  47  -6.508  -9.481   7.446
  341    H    THR  48           HN       THR  48  -4.311  -6.201   6.259
  342    HA   THR  48           HA       THR  48  -5.261  -4.137   8.020
  343    HB   THR  48           HB       THR  48  -2.723  -3.317   7.487
  344    HG1  THR  48           HG1      THR  48  -2.118  -4.385   6.167
  345   1HG2  THR  48           HMG      THR  48  -3.787  -4.435   9.621
  346   2HG2  THR  48           HMG      THR  48  -2.878  -5.859   9.058
  347   3HG2  THR  48           HMG      THR  48  -2.019  -4.339   9.417
  348    H    THR  49           HN       THR  49  -4.070  -1.863   7.500
  349    HA   THR  49           HA       THR  49  -5.934  -0.909   5.483
  350    HB   THR  49           HB       THR  49  -4.257   0.987   7.150
  351    HG1  THR  49           HG1      THR  49  -5.324   0.633   8.767
  352   1HG2  THR  49           HMG      THR  49  -6.834   1.028   5.797
  353   2HG2  THR  49           HMG      THR  49  -6.950   1.568   7.493
  354   3HG2  THR  49           HMG      THR  49  -5.818   2.373   6.377
  355    H    LEU  50           HN       LEU  50  -5.183   1.295   4.444
  356    HA   LEU  50           HA       LEU  50  -2.500   0.971   3.206
  357   1HB   LEU  50           HBS      LEU  50  -3.816   1.273   1.013
  358   2HB   LEU  50           HBR      LEU  50  -3.801  -0.322   1.818
  359    HG   LEU  50           HG       LEU  50  -6.078   0.968   2.807
  360   1HD1  LEU  50           HMD      LEU  50  -5.380   2.196   0.365
  361   2HD1  LEU  50           HMD      LEU  50  -6.696   1.055  -0.011
  362   3HD1  LEU  50           HMD      LEU  50  -6.929   2.302   1.241
  363   1HD2  LEU  50           HMD      LEU  50  -5.283  -1.325   1.187
  364   2HD2  LEU  50           HMD      LEU  50  -6.557  -1.181   2.425
  365   3HD2  LEU  50           HMD      LEU  50  -6.893  -0.709   0.740
  366    H    ALA  51           HN       ALA  51  -2.715   2.793   1.223
  367    HA   ALA  51           HA       ALA  51  -3.847   5.326   2.138
  368   1HB   ALA  51           HMB      ALA  51  -0.865   4.803   2.256
  369   2HB   ALA  51           HMB      ALA  51  -1.637   6.405   2.363
  370   3HB   ALA  51           HMB      ALA  51  -1.951   5.178   3.617
  371    H    ASP  52           HN       ASP  52  -4.799   5.293   0.106
  372    HA   ASP  52           HA       ASP  52  -3.401   5.099  -2.304
  373   1HB   ASP  52           HBR      ASP  52  -5.311   5.986  -3.388
  374   2HB   ASP  52           HBS      ASP  52  -5.833   4.909  -2.061
  375    H    LYS  53           HN       LYS  53  -3.024   6.762  -3.922
  376    HA   LYS  53           HA       LYS  53  -3.113   9.497  -3.439
  377   1HB   LYS  53           HBS      LYS  53  -1.177   8.728  -1.820
  378   2HB   LYS  53           HBR      LYS  53  -0.216   8.725  -3.326
  379   1HG   LYS  53           HGR      LYS  53  -1.474  11.154  -3.495
  380   2HG   LYS  53           HGS      LYS  53  -1.266  10.988  -1.728
  381   1HD   LYS  53           HDS      LYS  53   1.034  10.908  -1.850
  382   2HD   LYS  53           HDR      LYS  53   1.035  10.399  -3.515
  383   1HE   LYS  53           HES      LYS  53   0.187  12.644  -4.180
  384   2HE   LYS  53           HER      LYS  53   0.394  13.144  -2.478
  385   1HZ   LYS  53           HZA      LYS  53   2.565  12.058  -4.130
  386   2HZ   LYS  53           HZB      LYS  53   2.284  13.656  -3.944
  387   3HZ   LYS  53           HZC      LYS  53   2.694  12.743  -2.653
  388    H    ASP  54           HN       ASP  54  -3.231  10.308  -5.388
  389    HA   ASP  54           HA       ASP  54  -2.800  10.812  -7.544
  390   1HB   ASP  54           HBR      ASP  54  -0.548  11.123  -6.694
  391   2HB   ASP  54           HBS      ASP  54  -0.169   9.414  -7.055
  392    H    GLY  55           HN       GLY  55  -0.947   7.813  -7.741
  393   1HA   GLY  55           HAR      GLY  55  -3.180   6.489  -9.130
  394   2HA   GLY  55           HAS      GLY  55  -1.674   6.688 -10.065
  395    H    GLU  56           HN       GLU  56  -1.342   6.432  -6.640
  396    HA   GLU  56           HA       GLU  56  -0.683   3.544  -6.707
  397   1HB   GLU  56           HBS      GLU  56   1.542   4.221  -5.805
  398   2HB   GLU  56           HBR      GLU  56   1.340   4.263  -7.471
  399   1HG   GLU  56           HGS      GLU  56   1.957   6.446  -7.495
  400   2HG   GLU  56           HGR      GLU  56   0.634   6.901  -6.388
  401    H    ILE  57           HN       ILE  57   0.749   3.373  -4.431
  402    HA   ILE  57           HA       ILE  57  -1.080   4.336  -2.303
  403    HB   ILE  57           HB       ILE  57  -1.662   1.998  -1.741
  404   1HG1  ILE  57           HG1      ILE  57  -0.113   1.280  -4.259
  405   2HG1  ILE  57           HG1      ILE  57   0.378   0.940  -2.575
  406   1HG2  ILE  57           HMG      ILE  57  -2.299   2.762  -4.596
  407   2HG2  ILE  57           HMG      ILE  57  -3.107   1.452  -3.694
  408   3HG2  ILE  57           HMG      ILE  57  -3.242   3.138  -3.130
  409   1HD1  ILE  57           HMD      ILE  57  -2.273  -0.111  -3.378
  410   2HD1  ILE  57           HMD      ILE  57  -0.863  -0.845  -4.188
  411   3HD1  ILE  57           HMD      ILE  57  -0.976  -0.859  -2.407
  412    OH   TYR  58           OH       TYR  58   3.157   8.358  -2.580
  413    H    TYR  58           HN       TYR  58  -0.423   3.711  -0.178
  414    HA   TYR  58           HA       TYR  58   2.003   2.138   0.074
  415   1HB   TYR  58           HBS      TYR  58   2.024   4.435   1.965
  416   2HB   TYR  58           HBR      TYR  58   3.373   3.549   1.206
  417    HD1  TYR  58           HD2      TYR  58   0.626   5.903   0.197
  418    HD2  TYR  58           HD1      TYR  58   4.725   4.835  -0.186
  419    HE1  TYR  58           HE2      TYR  58   0.973   7.803  -1.316
  420    HE2  TYR  58           HE1      TYR  58   5.059   6.668  -1.790
  421    HH   TYR  58           HH       TYR  58   2.473   8.066  -3.374
  422    H    CYS  59           HN       CYS  59   2.317   1.625   2.490
  423    HA   CYS  59           HA       CYS  59  -0.310   0.421   2.860
  424   1HB   CYS  59           HBR      CYS  59   0.747  -1.525   3.540
  425   2HB   CYS  59           HBS      CYS  59   1.624  -0.884   2.131
  426    H    LYS  60           HN       LYS  60  -0.679  -0.670   5.069
  427    HA   LYS  60           HA       LYS  60  -0.609   1.430   7.157
  428   1HB   LYS  60           HBS      LYS  60  -2.689   0.147   6.875
  429   2HB   LYS  60           HBR      LYS  60  -1.795  -1.368   7.191
  430   1HG   LYS  60           HGR      LYS  60  -2.965  -0.730   9.201
  431   2HG   LYS  60           HGS      LYS  60  -1.216  -0.477   9.462
  432   1HD   LYS  60           HDS      LYS  60  -1.400   1.736   9.668
  433   2HD   LYS  60           HDR      LYS  60  -2.592   1.862   8.404
  434   1HE   LYS  60           HES      LYS  60  -4.043   2.341  10.010
  435   2HE   LYS  60           HER      LYS  60  -4.013   0.588  10.350
  436   1HZ   LYS  60           HZA      LYS  60  -2.046   2.354  11.578
  437   2HZ   LYS  60           HZB      LYS  60  -3.542   2.234  12.222
  438   3HZ   LYS  60           HZC      LYS  60  -2.597   0.907  12.096
  439    H    GLY  61           HN       GLY  61   1.093  -1.337   6.026
  440   1HA   GLY  61           HAR      GLY  61   2.634  -2.004   8.342
  441   2HA   GLY  61           HAS      GLY  61   3.128  -2.195   6.638
  442    H    CYS  62           HN       CYS  62   2.383   0.854   6.461
  443    HA   CYS  62           HA       CYS  62   5.137   1.678   7.093
  444   1HB   CYS  62           HBS      CYS  62   3.215   2.021   4.876
  445   2HB   CYS  62           HBR      CYS  62   4.183   3.468   5.276
  446    OH   TYR  63           OH       TYR  63  -2.225   9.288  10.061
  447    H    TYR  63           HN       TYR  63   1.856   3.077   6.888
  448    HA   TYR  63           HA       TYR  63   2.252   5.291   8.614
  449   1HB   TYR  63           HBS      TYR  63   0.205   4.568   7.147
  450   2HB   TYR  63           HBR      TYR  63  -0.297   3.682   8.615
  451    HD1  TYR  63           HD2      TYR  63   0.476   7.050   7.259
  452    HD2  TYR  63           HD1      TYR  63  -1.267   4.870  10.468
  453    HE1  TYR  63           HE2      TYR  63  -0.625   9.099   8.041
  454    HE2  TYR  63           HE1      TYR  63  -2.354   6.921  11.278
  455    HH   TYR  63           HH       TYR  63  -2.589   9.678   9.112
  456    H    ALA  64           HN       ALA  64   2.322   1.908   9.184
  457    HA   ALA  64           HA       ALA  64   2.030   2.177  12.107
  458   1HB   ALA  64           HMB      ALA  64   1.290   0.128  10.924
  459   2HB   ALA  64           HMB      ALA  64   2.980  -0.174  10.449
  460   3HB   ALA  64           HMB      ALA  64   2.526  -0.173  12.172
  461    H    LYS  65           HN       LYS  65   4.590   1.060   9.851
  462    HA   LYS  65           HA       LYS  65   6.648   1.087  11.670
  463   1HB   LYS  65           HBR      LYS  65   6.403   0.894   8.802
  464   2HB   LYS  65           HBS      LYS  65   7.828   1.883   9.228
  465   1HG   LYS  65           HGR      LYS  65   8.644  -0.326   9.085
  466   2HG   LYS  65           HGS      LYS  65   8.459  -0.019  10.836
  467   1HD   LYS  65           HDS      LYS  65   7.451  -1.997  10.844
  468   2HD   LYS  65           HDR      LYS  65   6.070  -1.035  10.390
  469   1HE   LYS  65           HES      LYS  65   6.697  -1.491   7.964
  470   2HE   LYS  65           HER      LYS  65   7.797  -2.733   8.628
  471   1HZ   LYS  65           HZA      LYS  65   5.078  -2.767   9.583
  472   2HZ   LYS  65           HZB      LYS  65   5.296  -3.213   8.027
  473   3HZ   LYS  65           HZC      LYS  65   6.076  -4.008   9.220
  474    H    ASN  66           HN       ASN  66   5.086   3.803  10.274
  475    HA   ASN  66           HA       ASN  66   6.698   5.509  12.022
  476   1HB   ASN  66           HBR      ASN  66   6.477   6.073   9.066
  477   2HB   ASN  66           HBS      ASN  66   7.135   7.177  10.308
  478   1HD2  ASN  66           HD2      ASN  66   9.476   4.409   8.566
  479   2HD2  ASN  66           HD2      ASN  66   7.892   4.838   8.011
  480    H    PHE  67           HN       PHE  67   4.424   4.901  12.869
  481    HA   PHE  67           HA       PHE  67   2.179   6.305  12.016
  482   1HB   PHE  67           HBS      PHE  67   1.689   6.430  14.639
  483   2HB   PHE  67           HBR      PHE  67   1.572   4.900  13.720
  484    HD1  PHE  67           HD2      PHE  67   4.795   6.528  14.762
  485    HD2  PHE  67           HD1      PHE  67   1.961   3.409  15.396
  486    HE1  PHE  67           HE2      PHE  67   6.336   5.465  16.377
  487    HE2  PHE  67           HE1      PHE  67   3.481   2.323  16.988
  488    HZ   PHE  67           HZ       PHE  67   5.645   3.379  17.524
  489    H    GLY  68           HN       GLY  68   2.376   8.339  11.351
  490   1HA   GLY  68           HAR      GLY  68   2.152  10.638  11.629
  491   2HA   GLY  68           HAS      GLY  68   2.284  10.412  13.396
  492    HA   PRO  69           HA       PRO  69   6.587  10.544  10.992
  493   1HB   PRO  69           HBS      PRO  69   6.185  12.859   9.458
  494   2HB   PRO  69           HBR      PRO  69   6.830  11.428   8.979
  495   1HG   PRO  69           HGS      PRO  69   4.433  12.325   8.298
  496   2HG   PRO  69           HGR      PRO  69   4.897  10.725   8.193
  497   1HD   PRO  69           HDS      PRO  69   3.152  11.912  10.033
  498   2HD   PRO  69           HDR      PRO  69   3.350  10.305   9.695
  499    H    LYS  70           HN       LYS  70   7.842  10.951  12.598
  500    HA   LYS  70           HA       LYS  70   7.612  13.267  14.265
  501   1HB   LYS  70           HBR      LYS  70   9.565  11.066  13.867
  502   2HB   LYS  70           HBS      LYS  70  10.219  12.596  14.517
  503   1HG   LYS  70           HGR      LYS  70   9.575  11.003  16.304
  504   2HG   LYS  70           HGS      LYS  70   8.639  12.523  16.373
  505   1HD   LYS  70           HDS      LYS  70   6.685  11.548  15.794
  506   2HD   LYS  70           HDR      LYS  70   7.451  10.346  14.793
  507   1HE   LYS  70           HES      LYS  70   7.418   8.824  16.393
  508   2HE   LYS  70           HER      LYS  70   8.191   9.952  17.542
  509   1HZ   LYS  70           HZA      LYS  70   5.954  10.932  17.819
  510   2HZ   LYS  70           HZB      LYS  70   5.326   9.696  16.957
  511   3HZ   LYS  70           HZC      LYS  70   6.084   9.402  18.373
  512    H    GLY  71           HN       GLY  71   7.711  15.224  13.402
  513   1HA   GLY  71           HAR      GLY  71  10.031  15.876  11.638
  514   2HA   GLY  71           HAS      GLY  71   8.423  16.600  11.371
  515    H    PHE  72           HN       PHE  72  10.552  18.232  11.783
  516    HA   PHE  72           HA       PHE  72  11.328  19.985  13.035
  517   1HB   PHE  72           HBS      PHE  72   8.761  19.890  13.988
  518   2HB   PHE  72           HBR      PHE  72   9.692  19.525  15.470
  519    HD1  PHE  72           HD2      PHE  72  12.001  21.210  15.484
  520    HD2  PHE  72           HD1      PHE  72   8.134  22.001  13.880
  521    HE1  PHE  72           HE2      PHE  72  12.434  23.639  15.653
  522    HE2  PHE  72           HE1      PHE  72   8.540  24.415  14.033
  523    HZ   PHE  72           HZ       PHE  72  10.713  25.238  14.863
  524    H    GLY  73           HN       GLY  73  13.312  19.405  13.524
  525   1HA   GLY  73           HAS      GLY  73  13.828  17.065  15.190
  526   2HA   GLY  73           HAR      GLY  73  15.024  18.024  14.278
  527    H    PHE  74           HN       PHE  74  16.014  17.427  16.531
  528    HA   PHE  74           HA       PHE  74  15.575  19.744  18.348
  529   1HB   PHE  74           HBR      PHE  74  17.020  17.112  18.874
  530   2HB   PHE  74           HBS      PHE  74  17.100  18.540  19.947
  531    HD1  PHE  74           HD2      PHE  74  14.545  16.216  18.379
  532    HD2  PHE  74           HD1      PHE  74  15.574  18.885  21.537
  533    HE1  PHE  74           HE2      PHE  74  12.502  15.549  19.601
  534    HE2  PHE  74           HE1      PHE  74  13.555  18.238  22.771
  535    HZ   PHE  74           HZ       PHE  74  12.047  16.525  21.834
  536    H    GLY  75           HN       GLY  75  16.647  21.334  17.346
  537   1HA   GLY  75           HAR      GLY  75  18.479  22.689  17.035
  538   2HA   GLY  75           HAS      GLY  75  19.444  21.433  17.856
  539    H    GLN  76           HN       GLN  76  20.073  19.537  16.545
  540    HA   GLN  76           HA       GLN  76  20.260  20.085  13.665
  541   1HB   GLN  76           HBS      GLN  76  22.583  20.118  15.484
  542   2HB   GLN  76           HBR      GLN  76  22.747  19.074  14.043
  543   1HG   GLN  76           HGS      GLN  76  22.068  22.028  14.074
  544   2HG   GLN  76           HGR      GLN  76  23.630  21.296  13.609
  545   1HE2  GLN  76           HE2      GLN  76  21.755  22.158  10.545
  546   2HE2  GLN  76           HE2      GLN  76  22.322  23.020  11.936
  547    H    GLY  77           HN       GLY  77  19.413  18.409  12.742
  548   1HA   GLY  77           HAS      GLY  77  19.342  15.730  13.874
  549   2HA   GLY  77           HAR      GLY  77  18.863  16.216  12.226
  550    H    ALA  78           HN       ALA  78  19.997  14.174  11.708
  551    HA   ALA  78           HA       ALA  78  21.714  13.131  10.602
  552   1HB   ALA  78           HMB      ALA  78  22.045  15.273   9.437
  553   2HB   ALA  78           HMB      ALA  78  23.121  15.811  10.752
  554   3HB   ALA  78           HMB      ALA  78  23.577  14.414   9.743
  555    H    GLY  79           HN       GLY  79  23.710  15.441  12.421
  556   1HA   GLY  79           HAR      GLY  79  24.543  13.443  14.410
  557   2HA   GLY  79           HAS      GLY  79  25.717  13.779  13.110
  558    H    ALA  80           HN       ALA  80  27.030  14.509  14.953
  559    HA   ALA  80           HA       ALA  80  26.320  17.260  15.867
  560   1HB   ALA  80           HMB      ALA  80  27.553  14.970  17.424
  561   2HB   ALA  80           HMB      ALA  80  27.347  16.637  18.018
  562   3HB   ALA  80           HMB      ALA  80  25.917  15.649  17.625
  563    H    LEU  81           HN       LEU  81  28.948  14.891  15.366
  564    HA   LEU  81           HA       LEU  81  30.936  17.038  15.631
  565   1HB   LEU  81           HBR      LEU  81  31.285  14.043  15.313
  566   2HB   LEU  81           HBS      LEU  81  32.500  15.231  15.867
  567    HG   LEU  81           HG       LEU  81  30.061  15.140  17.506
  568   1HD1  LEU  81           HMD      LEU  81  30.270  12.751  16.900
  569   2HD1  LEU  81           HMD      LEU  81  31.961  12.773  17.460
  570   3HD1  LEU  81           HMD      LEU  81  30.636  13.051  18.618
  571   1HD2  LEU  81           HMD      LEU  81  33.062  15.046  17.918
  572   2HD2  LEU  81           HMD      LEU  81  31.963  16.427  18.162
  573   3HD2  LEU  81           HMD      LEU  81  31.883  15.021  19.254
  574    H    ILE  82           HN       ILE  82  29.105  16.638  13.245
  575    HA   ILE  82           HA       ILE  82  31.203  16.768  11.194
  576    HB   ILE  82           HB       ILE  82  29.640  15.336   9.667
  577   1HG1  ILE  82           HG1      ILE  82  28.864  13.938  12.224
  578   2HG1  ILE  82           HG1      ILE  82  27.919  15.344  11.657
  579   1HG2  ILE  82           HMG      ILE  82  31.354  14.077  11.815
  580   2HG2  ILE  82           HMG      ILE  82  30.714  13.201  10.400
  581   3HG2  ILE  82           HMG      ILE  82  31.837  14.567  10.169
  582   1HD1  ILE  82           HMD      ILE  82  28.393  13.401   9.532
  583   2HD1  ILE  82           HMD      ILE  82  27.543  12.693  10.931
  584   3HD1  ILE  82           HMD      ILE  82  26.869  14.127  10.111
  585    H    HIS  83           HN       HIS  83  30.909  18.591  10.186
  586    HA   HIS  83           HA       HIS  83  29.942  20.288   9.001
  587   1HB   HIS  83           HBS      HIS  83  27.669  18.294   8.833
  588   2HB   HIS  83           HBR      HIS  83  27.442  19.990   8.314
  589    HD1  HIS  83           HD1      HIS  83  27.593  17.273   6.428
  590    HD2  HIS  83           HD2      HIS  83  30.492  20.220   6.935
  591    HE1  HIS  83           HE1      HIS  83  29.141  17.086   4.466
  592    HE2  HIS  83           HE2      HIS  83  30.911  18.852   4.778
  593    H    SER  84           HN       SER  84  29.675  19.741  12.001
  594    HA   SER  84           HA       SER  84  27.880  22.071  12.429
  595   1HB   SER  84           HBS      SER  84  27.910  19.508  13.847
  596   2HB   SER  84           HBR      SER  84  28.063  20.928  14.921
  597    HG   SER  84           HG       SER  84  26.043  21.144  14.799
  598    H    GLN  85           HN       GLN  85  29.810  23.243  11.865
  599    HA   GLN  85           HA       GLN  85  31.684  23.566  14.119
  600   1HB   GLN  85           HBR      GLN  85  32.604  21.790  12.627
  601   2HB   GLN  85           HBS      GLN  85  32.672  23.002  11.316
  602   1HG   GLN  85           HGS      GLN  85  34.300  24.282  12.439
  603   2HG   GLN  85           HGR      GLN  85  34.023  23.427  13.983
  604   1HE2  GLN  85           HE2      GLN  85  37.109  21.958  13.050
  605   2HE2  GLN  85           HE2      GLN  85  36.389  23.290  13.892
   
  Start of MODEL          11
 Raw file had  605 H/Q atoms
  Start of MODEL   11
    1   1H    MET   1           HNC      MET   1 -30.587  -7.404 -11.934
    2   2H    MET   1           HN       MET   1 -31.359  -6.261 -11.057
    3   3H    MET   1           HNB      MET   1 -32.101  -6.944 -12.343
    4    HA   MET   1           HA       MET   1 -30.764  -5.935 -13.887
    5   1HB   MET   1           HBS      MET   1 -32.299  -4.467 -12.022
    6   2HB   MET   1           HBR      MET   1 -30.820  -3.513 -12.326
    7   1HG   MET   1           HGS      MET   1 -31.228  -3.741 -14.787
    8   2HG   MET   1           HGR      MET   1 -32.737  -4.611 -14.420
    9   1HE   MET   1           HME      MET   1 -33.913  -2.754 -15.880
   10   2HE   MET   1           HME      MET   1 -34.917  -3.268 -14.500
   11   3HE   MET   1           HME      MET   1 -34.830  -1.544 -14.945
   12    H    ALA   2           HN       ALA   2 -29.663  -4.780 -10.675
   13    HA   ALA   2           HA       ALA   2 -26.875  -5.412 -11.121
   14   1HB   ALA   2           HMB      ALA   2 -27.888  -2.613 -11.669
   15   2HB   ALA   2           HMB      ALA   2 -26.188  -3.009 -11.315
   16   3HB   ALA   2           HMB      ALA   2 -26.977  -3.690 -12.760
   17    H    GLN   3           HN       GLN   3 -29.347  -3.419  -9.540
   18    HA   GLN   3           HA       GLN   3 -27.584  -2.761  -7.337
   19   1HB   GLN   3           HBS      GLN   3 -29.998  -1.704  -8.429
   20   2HB   GLN   3           HBR      GLN   3 -30.266  -2.075  -6.702
   21   1HG   GLN   3           HGS      GLN   3 -27.723  -0.704  -7.359
   22   2HG   GLN   3           HGR      GLN   3 -29.216   0.243  -7.625
   23   1HE2  GLN   3           HE2      GLN   3 -28.461   1.196  -4.289
   24   2HE2  GLN   3           HE2      GLN   3 -28.174   1.581  -5.952
   25    H    LYS   4           HN       LYS   4 -29.348  -2.738  -5.196
   26    HA   LYS   4           HA       LYS   4 -29.857  -4.038  -3.372
   27   1HB   LYS   4           HBS      LYS   4 -30.822  -5.646  -5.587
   28   2HB   LYS   4           HBR      LYS   4 -30.111  -6.671  -4.309
   29   1HG   LYS   4           HGR      LYS   4 -32.101  -6.533  -3.281
   30   2HG   LYS   4           HGS      LYS   4 -31.664  -4.845  -2.892
   31   1HD   LYS   4           HDS      LYS   4 -33.517  -4.265  -3.931
   32   2HD   LYS   4           HDR      LYS   4 -32.603  -4.536  -5.389
   33   1HE   LYS   4           HES      LYS   4 -33.591  -7.063  -4.649
   34   2HE   LYS   4           HER      LYS   4 -34.926  -5.892  -4.446
   35   1HZ   LYS   4           HZC      LYS   4 -34.415  -5.126  -6.701
   36   2HZ   LYS   4           HZA      LYS   4 -33.330  -6.334  -6.872
   37   3HZ   LYS   4           HZB      LYS   4 -34.912  -6.680  -6.660
   38    H    VAL   5           HN       VAL   5 -28.755  -5.359  -1.945
   39    HA   VAL   5           HA       VAL   5 -25.994  -5.224  -2.310
   40    HB   VAL   5           HB       VAL   5 -27.292  -5.159  -0.171
   41   1HG1  VAL   5           HMG      VAL   5 -27.260  -8.170  -0.474
   42   2HG1  VAL   5           HMG      VAL   5 -27.558  -7.319   1.060
   43   3HG1  VAL   5           HMG      VAL   5 -28.675  -7.103  -0.309
   44   1HG2  VAL   5           HMG      VAL   5 -24.661  -6.092  -0.695
   45   2HG2  VAL   5           HMG      VAL   5 -25.276  -5.213   0.726
   46   3HG2  VAL   5           HMG      VAL   5 -25.296  -6.993   0.704
   47    H    GLY   6           HN       GLY   6 -24.366  -6.818  -2.344
   48   1HA   GLY   6           HAS      GLY   6 -24.537  -9.531  -3.007
   49   2HA   GLY   6           HAR      GLY   6 -24.867  -8.634  -4.513
   50    H    GLY   7           HN       GLY   7 -23.259  -6.411  -4.203
   51   1HA   GLY   7           HAR      GLY   7 -20.890  -5.849  -3.570
   52   2HA   GLY   7           HAS      GLY   7 -20.498  -7.540  -3.981
   53    H    SER   8           HN       SER   8 -19.888  -7.974  -5.990
   54    HA   SER   8           HA       SER   8 -19.505  -7.837  -8.219
   55   1HB   SER   8           HBS      SER   8 -21.255  -7.299  -9.598
   56   2HB   SER   8           HBR      SER   8 -22.076  -7.731  -8.072
   57    HG   SER   8           HG       SER   8 -22.276  -5.553  -9.604
   58    H    ASP   9           HN       ASP   9 -17.718  -6.860  -8.730
   59    HA   ASP   9           HA       ASP   9 -17.567  -4.231  -9.646
   60   1HB   ASP   9           HBR      ASP   9 -17.254  -4.442  -6.747
   61   2HB   ASP   9           HBS      ASP   9 -15.904  -3.614  -7.577
   62    H    GLY  10           HN       GLY  10 -15.497  -3.642 -10.380
   63   1HA   GLY  10           HAR      GLY  10 -13.933  -6.123 -10.926
   64   2HA   GLY  10           HAS      GLY  10 -14.375  -4.892 -12.139
   65    H    CYS  11           HN       CYS  11 -11.790  -5.656 -11.958
   66    HA   CYS  11           HA       CYS  11 -10.399  -3.601 -10.321
   67   1HB   CYS  11           HBS      CYS  11 -10.350  -6.112  -9.719
   68   2HB   CYS  11           HBR      CYS  11  -9.290  -6.275 -11.147
   69    HA   PRO  12           HA       PRO  12  -8.685  -2.248 -14.183
   70   1HB   PRO  12           HBR      PRO  12  -7.747  -0.067 -12.717
   71   2HB   PRO  12           HBS      PRO  12  -8.783  -0.061 -13.992
   72   1HG   PRO  12           HGS      PRO  12  -9.465   0.458 -11.484
   73   2HG   PRO  12           HGR      PRO  12 -10.540   0.073 -12.700
   74   1HD   PRO  12           HDS      PRO  12  -9.674  -1.530 -10.563
   75   2HD   PRO  12           HDR      PRO  12 -11.007  -1.727 -11.523
   76    NH1  ARG  13           NH1      ARG  13  -0.995  -4.556  -8.592
   77    NH2  ARG  13           NH2      ARG  13   0.279  -2.646  -8.659
   78    H    ARG  13           HN       ARG  13  -7.388  -3.374 -11.412
   79    HA   ARG  13           HA       ARG  13  -4.580  -2.712 -12.030
   80   1HB   ARG  13           HBR      ARG  13  -5.549  -2.881  -9.659
   81   2HB   ARG  13           HBS      ARG  13  -5.554  -4.648  -9.925
   82   1HG   ARG  13           HGS      ARG  13  -3.343  -4.819  -9.601
   83   2HG   ARG  13           HGR      ARG  13  -2.992  -3.367 -10.580
   84   1HD   ARG  13           HDS      ARG  13  -4.071  -2.160  -8.488
   85   2HD   ARG  13           HDR      ARG  13  -3.521  -3.649  -7.668
   86    HE   ARG  13           HE       ARG  13  -1.886  -1.486  -8.315
   87   1HH1  ARG  13           HH1      ARG  13  -1.885  -5.005  -8.513
   88   2HH1  ARG  13           HH1      ARG  13  -0.163  -5.104  -8.667
   89   1HH2  ARG  13           HH2      ARG  13   0.352  -1.648  -8.639
   90   2HH2  ARG  13           HH2      ARG  13   1.104  -3.207  -8.730
   91    H    CYS  14           HN       CYS  14  -6.203  -5.792 -11.207
   92    HA   CYS  14           HA       CYS  14  -4.067  -7.151 -12.650
   93   1HB   CYS  14           HBR      CYS  14  -4.971  -9.194 -11.651
   94   2HB   CYS  14           HBS      CYS  14  -4.584  -7.926 -10.456
   95    H    GLY  15           HN       GLY  15  -7.287  -6.195 -13.274
   96   1HA   GLY  15           HAR      GLY  15  -8.160  -6.090 -15.457
   97   2HA   GLY  15           HAS      GLY  15  -7.034  -7.379 -15.960
   98    H    GLN  16           HN       GLN  16  -8.706  -7.898 -12.992
   99    HA   GLN  16           HA       GLN  16 -10.612  -9.723 -14.341
  100   1HB   GLN  16           HBR      GLN  16  -8.964  -9.996 -11.999
  101   2HB   GLN  16           HBS      GLN  16 -10.689 -10.171 -11.566
  102   1HG   GLN  16           HGS      GLN  16  -9.739 -12.333 -12.089
  103   2HG   GLN  16           HGR      GLN  16 -10.941 -11.873 -13.328
  104   1HE2  GLN  16           HE2      GLN  16  -8.783 -12.066 -16.006
  105   2HE2  GLN  16           HE2      GLN  16 -10.389 -11.858 -15.392
  106    H    ALA  17           HN       ALA  17 -12.757  -9.895 -13.555
  107    HA   ALA  17           HA       ALA  17 -13.730  -7.513 -12.050
  108   1HB   ALA  17           HMB      ALA  17 -14.872  -8.964 -14.399
  109   2HB   ALA  17           HMB      ALA  17 -15.987  -8.345 -13.154
  110   3HB   ALA  17           HMB      ALA  17 -14.884  -7.227 -13.996
  111    H    VAL  18           HN       VAL  18 -15.097  -7.888 -10.361
  112    HA   VAL  18           HA       VAL  18 -14.679 -10.589  -9.247
  113    HB   VAL  18           HB       VAL  18 -15.327  -8.104  -7.672
  114   1HG1  VAL  18           HMG      VAL  18 -14.294 -10.822  -7.066
  115   2HG1  VAL  18           HMG      VAL  18 -13.607  -9.465  -6.140
  116   3HG1  VAL  18           HMG      VAL  18 -15.364  -9.751  -6.128
  117   1HG2  VAL  18           HMG      VAL  18 -12.819  -8.723  -9.111
  118   2HG2  VAL  18           HMG      VAL  18 -13.489  -7.167  -8.565
  119   3HG2  VAL  18           HMG      VAL  18 -12.645  -8.227  -7.411
  120    OH   TYR  19           OH       TYR  19 -23.160 -11.898 -12.392
  121    H    TYR  19           HN       TYR  19 -16.213 -11.817  -8.398
  122    HA   TYR  19           HA       TYR  19 -19.004 -10.771  -8.402
  123   1HB   TYR  19           HBR      TYR  19 -17.938 -13.223  -9.508
  124   2HB   TYR  19           HBS      TYR  19 -19.056 -13.593  -8.166
  125    HD1  TYR  19           HD2      TYR  19 -18.805 -11.638 -11.337
  126    HD2  TYR  19           HD1      TYR  19 -21.380 -13.605  -8.584
  127    HE1  TYR  19           HE2      TYR  19 -20.703 -11.240 -12.841
  128    HE2  TYR  19           HE1      TYR  19 -23.284 -13.241 -10.094
  129    HH   TYR  19           HH       TYR  19 -23.180 -10.810 -12.401
  130    H    ALA  20           HN       ALA  20 -19.795 -10.444  -6.472
  131    HA   ALA  20           HA       ALA  20 -19.846 -10.179  -4.194
  132   1HB   ALA  20           HMB      ALA  20 -19.847 -12.771  -4.256
  133   2HB   ALA  20           HMB      ALA  20 -18.126 -12.619  -3.820
  134   3HB   ALA  20           HMB      ALA  20 -19.378 -11.936  -2.753
  135    H    ALA  21           HN       ALA  21 -18.694  -8.354  -4.082
  136    HA   ALA  21           HA       ALA  21 -16.230  -8.032  -5.277
  137   1HB   ALA  21           HMB      ALA  21 -18.019  -6.316  -4.584
  138   2HB   ALA  21           HMB      ALA  21 -17.134  -6.230  -3.039
  139   3HB   ALA  21           HMB      ALA  21 -16.308  -5.820  -4.563
  140    H    GLU  22           HN       GLU  22 -14.215  -8.438  -4.771
  141    HA   GLU  22           HA       GLU  22 -13.446  -8.789  -1.904
  142   1HB   GLU  22           HBR      GLU  22 -11.622  -9.426  -4.168
  143   2HB   GLU  22           HBS      GLU  22 -11.663 -10.005  -2.595
  144   1HG   GLU  22           HGS      GLU  22 -14.131 -10.792  -3.706
  145   2HG   GLU  22           HGR      GLU  22 -12.884 -11.289  -4.881
  146    H    LYS  23           HN       LYS  23 -14.065  -6.385  -3.687
  147    HA   LYS  23           HA       LYS  23 -11.374  -5.339  -4.328
  148   1HB   LYS  23           HBS      LYS  23 -12.572  -3.732  -5.745
  149   2HB   LYS  23           HBR      LYS  23 -12.988  -5.420  -6.157
  150   1HG   LYS  23           HGR      LYS  23 -15.140  -4.837  -6.029
  151   2HG   LYS  23           HGS      LYS  23 -14.918  -4.621  -4.269
  152   1HD   LYS  23           HDS      LYS  23 -13.996  -2.266  -5.022
  153   2HD   LYS  23           HDR      LYS  23 -14.939  -2.593  -6.450
  154   1HE   LYS  23           HES      LYS  23 -16.930  -3.009  -5.000
  155   2HE   LYS  23           HER      LYS  23 -15.939  -2.452  -3.621
  156   1HZ   LYS  23           HZB      LYS  23 -16.030  -0.732  -5.932
  157   2HZ   LYS  23           HZC      LYS  23 -17.409  -0.838  -5.062
  158   3HZ   LYS  23           HZA      LYS  23 -16.026  -0.352  -4.343
  159    H    VAL  24           HN       VAL  24 -11.645  -2.729  -4.462
  160    HA   VAL  24           HA       VAL  24 -11.881  -1.818  -1.675
  161    HB   VAL  24           HB       VAL  24 -10.170  -3.676  -1.970
  162   1HG1  VAL  24           HMG      VAL  24  -9.212  -2.462  -4.101
  163   2HG1  VAL  24           HMG      VAL  24  -8.208  -1.617  -2.899
  164   3HG1  VAL  24           HMG      VAL  24  -8.159  -3.393  -3.008
  165   1HG2  VAL  24           HMG      VAL  24 -10.233  -1.423  -0.315
  166   2HG2  VAL  24           HMG      VAL  24  -9.382  -2.962  -0.038
  167   3HG2  VAL  24           HMG      VAL  24  -8.531  -1.600  -0.804
  168    H    ILE  25           HN       ILE  25 -10.247   0.138  -1.452
  169    HA   ILE  25           HA       ILE  25 -10.458   1.813  -3.905
  170    HB   ILE  25           HB       ILE  25 -11.230   3.649  -2.236
  171   1HG1  ILE  25           HG1      ILE  25 -12.035   1.223  -0.590
  172   2HG1  ILE  25           HG1      ILE  25 -10.626   2.260  -0.234
  173   1HG2  ILE  25           HMG      ILE  25 -12.634   2.298  -3.966
  174   2HG2  ILE  25           HMG      ILE  25 -13.342   1.543  -2.514
  175   3HG2  ILE  25           HMG      ILE  25 -13.446   3.309  -2.742
  176   1HD1  ILE  25           HMD      ILE  25 -13.287   3.581  -0.522
  177   2HD1  ILE  25           HMD      ILE  25 -12.984   2.611   0.945
  178   3HD1  ILE  25           HMD      ILE  25 -11.911   3.978   0.541
  179    H    GLY  26           HN       GLY  26  -8.925   3.323  -4.197
  180   1HA   GLY  26           HAR      GLY  26  -7.307   4.273  -1.967
  181   2HA   GLY  26           HAS      GLY  26  -6.371   3.406  -3.213
  182    H    ALA  27           HN       ALA  27  -7.606   6.369  -2.253
  183    HA   ALA  27           HA       ALA  27  -7.403   8.471  -3.143
  184   1HB   ALA  27           HMB      ALA  27  -5.478   6.888  -4.629
  185   2HB   ALA  27           HMB      ALA  27  -6.193   8.172  -5.636
  186   3HB   ALA  27           HMB      ALA  27  -5.405   8.586  -4.092
  187    H    GLY  28           HN       GLY  28  -7.415   6.888  -6.301
  188   1HA   GLY  28           HAS      GLY  28 -10.271   7.695  -6.674
  189   2HA   GLY  28           HAR      GLY  28  -8.999   7.951  -7.897
  190    H    LYS  29           HN       LYS  29  -7.854   5.246  -6.895
  191    HA   LYS  29           HA       LYS  29  -9.102   3.812  -9.100
  192   1HB   LYS  29           HBS      LYS  29  -6.580   3.666  -7.561
  193   2HB   LYS  29           HBR      LYS  29  -7.237   2.096  -8.106
  194   1HG   LYS  29           HGR      LYS  29  -7.415   3.187 -10.434
  195   2HG   LYS  29           HGS      LYS  29  -6.361   4.471  -9.774
  196   1HD   LYS  29           HDS      LYS  29  -5.412   1.729  -9.294
  197   2HD   LYS  29           HDR      LYS  29  -5.547   2.158 -10.977
  198   1HE   LYS  29           HES      LYS  29  -4.347   4.384  -9.776
  199   2HE   LYS  29           HER      LYS  29  -3.571   2.941  -9.061
  200   1HZ   LYS  29           HZA      LYS  29  -3.943   3.214 -11.950
  201   2HZ   LYS  29           HZB      LYS  29  -2.631   3.829 -11.199
  202   3HZ   LYS  29           HZC      LYS  29  -2.924   2.223 -11.146
  203    H    SER  30           HN       SER  30  -9.970   1.756  -9.031
  204    HA   SER  30           HA       SER  30 -10.641   0.681  -6.337
  205   1HB   SER  30           HBR      SER  30 -12.028   0.087  -8.969
  206   2HB   SER  30           HBS      SER  30 -12.423  -0.591  -7.363
  207    HG   SER  30           HG       SER  30 -13.093   1.788  -8.613
  208    CH2  TRP  31           CH2      TRP  31  -3.647   1.581  -6.664
  209    H    TRP  31           HN       TRP  31 -10.197  -1.449  -5.913
  210    HA   TRP  31           HA       TRP  31  -8.414  -2.873  -7.787
  211   1HB   TRP  31           HBS      TRP  31  -7.379  -2.581  -5.027
  212   2HB   TRP  31           HBR      TRP  31  -6.525  -2.734  -6.587
  213    HD1  TRP  31           HD1      TRP  31  -8.861   0.111  -5.261
  214    HE1  TRP  31           HE1      TRP  31  -7.586   2.334  -5.439
  215    HE3  TRP  31           HE3      TRP  31  -4.362  -1.732  -6.751
  216    HZ2  TRP  31           HZ2      TRP  31  -4.987   3.162  -6.094
  217    HZ3  TRP  31           HZ3      TRP  31  -2.531  -0.159  -7.178
  218    HH2  TRP  31           HH2      TRP  31  -2.818   2.237  -6.829
  219    H    HIS  32           HN       ZHI  32  -7.465  -4.818  -6.260
  220    HA   HIS  32           HA       ZHI  32  -9.774  -6.009  -4.805
  221   1HB   HIS  32           HBS      ZHI  32  -7.275  -7.329  -5.943
  222   2HB   HIS  32           HBR      ZHI  32  -8.362  -8.118  -4.765
  223    HD2  HIS  32           HD2      ZHI  32 -10.888  -8.806  -5.743
  224    HE1  HIS  32           HE1      ZHI  32  -9.702  -8.645  -9.781
  225    HE2  HIS  32           HE2      ZHI  32 -11.365  -9.617  -8.155
  226    H    LYS  33           HN       LYS  33  -9.327  -6.983  -2.760
  227    HA   LYS  33           HA       LYS  33  -7.208  -5.977  -1.057
  228   1HB   LYS  33           HBS      LYS  33  -9.320  -8.043  -0.922
  229   2HB   LYS  33           HBR      LYS  33  -7.808  -8.450  -0.064
  230   1HG   LYS  33           HGR      LYS  33  -8.449  -7.182   1.655
  231   2HG   LYS  33           HGS      LYS  33  -8.473  -5.748   0.588
  232   1HD   LYS  33           HDS      LYS  33 -10.589  -6.022   1.732
  233   2HD   LYS  33           HDR      LYS  33 -10.731  -6.107  -0.002
  234   1HE   LYS  33           HES      LYS  33 -11.948  -7.932   0.316
  235   2HE   LYS  33           HER      LYS  33 -10.388  -8.737   0.646
  236   1HZ   LYS  33           HZC      LYS  33 -11.963  -7.415   2.735
  237   2HZ   LYS  33           HZA      LYS  33 -12.140  -8.996   2.368
  238   3HZ   LYS  33           HZB      LYS  33 -10.707  -8.442   2.925
  239    H    SER  34           HN       SER  34  -5.199  -6.716  -0.800
  240    HA   SER  34           HA       SER  34  -3.200  -7.614  -1.386
  241   1HB   SER  34           HBR      SER  34  -3.032  -9.897  -1.564
  242   2HB   SER  34           HBS      SER  34  -4.571  -9.676  -0.684
  243    HG   SER  34           HG       SER  34  -4.036 -11.068  -2.890
  244    H    CYS  35           HN       CYS  35  -5.219  -6.426  -3.522
  245    HA   CYS  35           HA       CYS  35  -3.174  -6.724  -5.664
  246   1HB   CYS  35           HBS      CYS  35  -6.047  -6.036  -5.706
  247   2HB   CYS  35           HBR      CYS  35  -4.999  -4.947  -6.657
  248    H    PHE  36           HN       PHE  36  -4.577  -4.746  -3.177
  249    HA   PHE  36           HA       PHE  36  -3.350  -2.295  -3.724
  250   1HB   PHE  36           HBR      PHE  36  -4.676  -3.453  -1.450
  251   2HB   PHE  36           HBS      PHE  36  -3.151  -2.702  -0.898
  252    HD1  PHE  36           HD2      PHE  36  -2.780  -0.249  -2.245
  253    HD2  PHE  36           HD1      PHE  36  -6.493  -2.204  -1.515
  254    HE1  PHE  36           HE2      PHE  36  -3.929   1.942  -2.260
  255    HE2  PHE  36           HE1      PHE  36  -7.664  -0.049  -1.566
  256    HZ   PHE  36           HZ       PHE  36  -6.385   2.027  -1.940
  257    NH1  ARG  37           NH1      ARG  37   2.477  -8.295  -5.547
  258    NH2  ARG  37           NH2      ARG  37   1.225  -8.968  -7.351
  259    H    ARG  37           HN       ARG  37  -1.332  -2.061  -4.314
  260    HA   ARG  37           HA       ARG  37   0.739  -3.780  -3.043
  261   1HB   ARG  37           HBR      ARG  37   0.570  -2.542  -5.809
  262   2HB   ARG  37           HBS      ARG  37   2.015  -3.365  -5.152
  263   1HG   ARG  37           HGS      ARG  37  -0.321  -5.048  -4.870
  264   2HG   ARG  37           HGR      ARG  37  -0.141  -4.509  -6.563
  265   1HD   ARG  37           HDS      ARG  37   2.299  -5.169  -6.342
  266   2HD   ARG  37           HDR      ARG  37   1.817  -6.001  -4.836
  267    HE   ARG  37           HE       ARG  37   0.263  -6.686  -7.221
  268   1HH1  ARG  37           HH1      ARG  37   2.748  -7.591  -4.889
  269   2HH1  ARG  37           HH1      ARG  37   2.872  -9.210  -5.487
  270   1HH2  ARG  37           HH2      ARG  37   0.547  -8.773  -8.059
  271   2HH2  ARG  37           HH2      ARG  37   1.626  -9.882  -7.279
  272    H    CYS  38           HN       CYS  38   1.673  -2.645  -1.488
  273    HA   CYS  38           HA       CYS  38   2.463   0.167  -1.697
  274   1HB   CYS  38           HBS      CYS  38   2.056  -1.031   0.463
  275   2HB   CYS  38           HBR      CYS  38   3.505  -2.017   0.118
  276    H    ALA  39           HN       ALA  39   3.800   0.701  -3.252
  277    HA   ALA  39           HA       ALA  39   6.166  -0.971  -3.820
  278   1HB   ALA  39           HMB      ALA  39   5.002   1.535  -5.038
  279   2HB   ALA  39           HMB      ALA  39   6.623   0.923  -5.454
  280   3HB   ALA  39           HMB      ALA  39   5.185  -0.084  -5.760
  281    H    LYS  40           HN       LYS  40   5.913   0.042  -1.185
  282    HA   LYS  40           HA       LYS  40   8.254   1.894  -1.129
  283   1HB   LYS  40           HBR      LYS  40   5.789   2.570  -0.319
  284   2HB   LYS  40           HBS      LYS  40   6.360   1.766   1.171
  285   1HG   LYS  40           HGR      LYS  40   8.137   3.807  -0.134
  286   2HG   LYS  40           HGS      LYS  40   6.707   4.370   0.778
  287   1HD   LYS  40           HDS      LYS  40   7.920   4.264   2.603
  288   2HD   LYS  40           HDR      LYS  40   7.773   2.533   2.475
  289   1HE   LYS  40           HES      LYS  40  10.076   3.096   2.816
  290   2HE   LYS  40           HER      LYS  40   9.844   2.428   1.174
  291   1HZ   LYS  40           HZA      LYS  40   9.540   5.021   0.758
  292   2HZ   LYS  40           HZB      LYS  40  10.626   5.066   1.977
  293   3HZ   LYS  40           HZC      LYS  40  10.969   4.243   0.609
  294    H    CYS  41           HN       CYS  41   6.468  -0.583   0.750
  295    HA   CYS  41           HA       CYS  41   9.092  -1.576   1.739
  296   1HB   CYS  41           HBS      CYS  41   7.850  -3.070   3.216
  297   2HB   CYS  41           HBR      CYS  41   7.546  -1.344   3.552
  298    H    GLY  42           HN       GLY  42   6.533  -1.977  -0.518
  299   1HA   GLY  42           HAS      GLY  42   7.014  -2.925  -2.643
  300   2HA   GLY  42           HAR      GLY  42   8.308  -3.905  -1.902
  301    H    LYS  43           HN       LYS  43   5.336  -3.722  -0.162
  302    HA   LYS  43           HA       LYS  43   5.054  -6.629  -0.615
  303   1HB   LYS  43           HBS      LYS  43   5.550  -5.422   1.664
  304   2HB   LYS  43           HBR      LYS  43   3.788  -5.128   1.661
  305   1HG   LYS  43           HGR      LYS  43   3.343  -7.515   1.565
  306   2HG   LYS  43           HGS      LYS  43   5.087  -7.868   1.407
  307   1HD   LYS  43           HDS      LYS  43   5.551  -7.413   3.588
  308   2HD   LYS  43           HDR      LYS  43   4.233  -6.287   3.751
  309   1HE   LYS  43           HES      LYS  43   2.847  -8.582   3.323
  310   2HE   LYS  43           HER      LYS  43   4.291  -9.176   4.191
  311   1HZ   LYS  43           HZB      LYS  43   3.831  -7.490   5.869
  312   2HZ   LYS  43           HZC      LYS  43   2.454  -7.070   5.099
  313   3HZ   LYS  43           HZA      LYS  43   2.611  -8.567   5.733
  314    H    SER  44           HN       SER  44   3.073  -7.634  -0.815
  315    HA   SER  44           HA       SER  44   0.719  -6.095  -1.652
  316   1HB   SER  44           HBR      SER  44  -0.409  -8.173  -1.825
  317   2HB   SER  44           HBS      SER  44   1.228  -8.410  -2.502
  318    HG   SER  44           HG       SER  44  -0.058  -9.372  -0.149
  319    H    LEU  45           HN       LEU  45  -1.033  -5.670  -0.407
  320    HA   LEU  45           HA       LEU  45  -0.172  -5.198   2.376
  321   1HB   LEU  45           HBS      LEU  45  -1.316  -3.738   0.189
  322   2HB   LEU  45           HBR      LEU  45  -2.434  -3.672   1.576
  323    HG   LEU  45           HG       LEU  45   0.353  -2.555   1.320
  324   1HD1  LEU  45           HMD      LEU  45  -2.359  -1.600   1.293
  325   2HD1  LEU  45           HMD      LEU  45  -1.480  -0.892   2.673
  326   3HD1  LEU  45           HMD      LEU  45  -0.838  -0.712   1.020
  327   1HD2  LEU  45           HMD      LEU  45  -0.802  -3.781   3.670
  328   2HD2  LEU  45           HMD      LEU  45   0.781  -2.997   3.457
  329   3HD2  LEU  45           HMD      LEU  45  -0.645  -2.022   3.902
  330    H    GLU  46           HN       GLU  46  -2.505  -4.311   3.443
  331    HA   GLU  46           HA       GLU  46  -4.191  -6.774   3.660
  332   1HB   GLU  46           HBS      GLU  46  -2.894  -5.397   5.535
  333   2HB   GLU  46           HBR      GLU  46  -4.289  -4.466   5.557
  334   1HG   GLU  46           HGS      GLU  46  -5.597  -6.219   6.409
  335   2HG   GLU  46           HGR      GLU  46  -4.591  -7.502   5.684
  336    H    SER  47           HN       SER  47  -6.376  -5.461   4.826
  337    HA   SER  47           HA       SER  47  -7.569  -4.562   2.308
  338   1HB   SER  47           HBR      SER  47  -9.691  -4.811   3.892
  339   2HB   SER  47           HBS      SER  47  -8.900  -6.202   3.096
  340    HG   SER  47           HG       SER  47  -9.522  -6.304   5.435
  341    H    THR  48           HN       THR  48  -6.952  -3.384   5.567
  342    HA   THR  48           HA       THR  48  -8.118  -0.750   4.838
  343    HB   THR  48           HB       THR  48  -9.873  -2.036   6.050
  344    HG1  THR  48           HG1      THR  48 -10.055  -0.237   6.289
  345   1HG2  THR  48           HMG      THR  48  -7.776  -2.285   8.205
  346   2HG2  THR  48           HMG      THR  48  -9.521  -2.382   8.552
  347   3HG2  THR  48           HMG      THR  48  -8.764  -3.564   7.455
  348    H    THR  49           HN       THR  49  -5.390  -1.524   4.894
  349    HA   THR  49           HA       THR  49  -4.534   0.578   6.754
  350    HB   THR  49           HB       THR  49  -2.340  -0.951   7.092
  351    HG1  THR  49           HG1      THR  49  -2.679  -2.826   7.157
  352   1HG2  THR  49           HMG      THR  49  -4.620  -0.377   8.720
  353   2HG2  THR  49           HMG      THR  49  -4.089  -2.047   9.041
  354   3HG2  THR  49           HMG      THR  49  -2.936  -0.698   9.213
  355    H    LEU  50           HN       LEU  50  -4.545   1.742   4.778
  356    HA   LEU  50           HA       LEU  50  -2.082   1.398   3.183
  357   1HB   LEU  50           HBS      LEU  50  -3.243   1.137   1.146
  358   2HB   LEU  50           HBR      LEU  50  -3.912  -0.061   2.292
  359    HG   LEU  50           HG       LEU  50  -5.721   1.878   2.622
  360   1HD1  LEU  50           HMD      LEU  50  -4.391   2.383  -0.009
  361   2HD1  LEU  50           HMD      LEU  50  -6.166   2.503   0.078
  362   3HD1  LEU  50           HMD      LEU  50  -5.152   3.522   1.131
  363   1HD2  LEU  50           HMD      LEU  50  -5.440  -0.357   0.629
  364   2HD2  LEU  50           HMD      LEU  50  -6.436  -0.266   2.103
  365   3HD2  LEU  50           HMD      LEU  50  -6.914   0.644   0.647
  366    H    ALA  51           HN       ALA  51  -1.717   3.197   1.727
  367    HA   ALA  51           HA       ALA  51  -3.221   5.684   2.362
  368   1HB   ALA  51           HMB      ALA  51  -1.229   5.312   3.878
  369   2HB   ALA  51           HMB      ALA  51  -0.205   5.482   2.431
  370   3HB   ALA  51           HMB      ALA  51  -1.246   6.833   2.950
  371    H    ASP  52           HN       ASP  52  -3.925   6.359   0.480
  372    HA   ASP  52           HA       ASP  52  -2.332   5.964  -1.912
  373   1HB   ASP  52           HBR      ASP  52  -4.371   7.069  -2.997
  374   2HB   ASP  52           HBS      ASP  52  -4.519   5.436  -2.285
  375    H    LYS  53           HN       LYS  53  -1.984   7.654  -3.491
  376    HA   LYS  53           HA       LYS  53  -1.917  10.441  -2.849
  377   1HB   LYS  53           HBR      LYS  53  -0.147   9.147  -1.276
  378   2HB   LYS  53           HBS      LYS  53   0.852   9.368  -2.741
  379   1HG   LYS  53           HGR      LYS  53  -0.536  11.829  -2.106
  380   2HG   LYS  53           HGS      LYS  53   0.357  11.238  -0.675
  381   1HD   LYS  53           HDS      LYS  53   2.290  10.885  -2.417
  382   2HD   LYS  53           HDR      LYS  53   1.383  12.035  -3.360
  383   1HE   LYS  53           HES      LYS  53   1.957  12.715  -0.517
  384   2HE   LYS  53           HER      LYS  53   3.265  12.814  -1.729
  385   1HZ   LYS  53           HZB      LYS  53   0.671  14.068  -2.212
  386   2HZ   LYS  53           HZC      LYS  53   1.819  14.838  -1.342
  387   3HZ   LYS  53           HZA      LYS  53   2.117  14.411  -2.890
  388    H    ASP  54           HN       ASP  54  -2.121  11.172  -4.826
  389    HA   ASP  54           HA       ASP  54  -1.616  11.745  -6.953
  390   1HB   ASP  54           HBR      ASP  54   0.769  11.640  -5.529
  391   2HB   ASP  54           HBS      ASP  54   1.116  10.831  -7.085
  392    H    GLY  55           HN       GLY  55  -2.428   8.920  -6.211
  393   1HA   GLY  55           HAR      GLY  55  -3.337   7.377  -7.711
  394   2HA   GLY  55           HAS      GLY  55  -2.170   7.905  -8.953
  395    H    GLU  56           HN       GLU  56  -0.053   7.671  -6.701
  396    HA   GLU  56           HA       GLU  56   0.209   4.692  -6.679
  397   1HB   GLU  56           HBR      GLU  56   2.516   4.977  -6.553
  398   2HB   GLU  56           HBS      GLU  56   1.949   5.965  -7.784
  399   1HG   GLU  56           HGS      GLU  56   2.432   7.937  -6.846
  400   2HG   GLU  56           HGR      GLU  56   2.186   7.392  -5.166
  401    H    ILE  57           HN       ILE  57   1.453   4.028  -4.623
  402    HA   ILE  57           HA       ILE  57   0.086   5.225  -2.275
  403    HB   ILE  57           HB       ILE  57  -1.087   3.092  -1.876
  404   1HG1  ILE  57           HG1      ILE  57   0.217   2.230  -4.482
  405   2HG1  ILE  57           HG1      ILE  57   0.478   1.549  -2.852
  406   1HG2  ILE  57           HMG      ILE  57  -1.875   4.986  -3.622
  407   2HG2  ILE  57           HMG      ILE  57  -1.907   3.549  -4.680
  408   3HG2  ILE  57           HMG      ILE  57  -2.862   3.568  -3.173
  409   1HD1  ILE  57           HMD      ILE  57  -2.324   1.438  -3.618
  410   2HD1  ILE  57           HMD      ILE  57  -1.280   0.615  -4.807
  411   3HD1  ILE  57           HMD      ILE  57  -1.227   0.135  -3.090
  412    OH   TYR  58           OH       TYR  58   2.654   9.474   1.966
  413    H    TYR  58           HN       TYR  58   1.030   4.834  -0.375
  414    HA   TYR  58           HA       TYR  58   2.615   2.375  -0.139
  415   1HB   TYR  58           HBS      TYR  58   4.029   3.520   1.663
  416   2HB   TYR  58           HBR      TYR  58   4.417   3.906  -0.037
  417    HD1  TYR  58           HD1      TYR  58   3.505   6.127  -0.979
  418    HD2  TYR  58           HD2      TYR  58   3.434   5.222   3.176
  419    HE1  TYR  58           HE1      TYR  58   3.066   8.492  -0.477
  420    HE2  TYR  58           HE2      TYR  58   2.976   7.577   3.690
  421    HH   TYR  58           HH       TYR  58   3.322   9.693   2.797
  422    H    CYS  59           HN       CYS  59   2.780   1.883   2.337
  423    HA   CYS  59           HA       CYS  59  -0.109   1.666   2.706
  424   1HB   CYS  59           HBR      CYS  59   0.167  -0.528   3.314
  425   2HB   CYS  59           HBS      CYS  59   1.229  -0.221   1.919
  426    H    LYS  60           HN       LYS  60  -1.120   1.178   4.693
  427    HA   LYS  60           HA       LYS  60  -0.182   2.876   6.925
  428   1HB   LYS  60           HBS      LYS  60  -2.696   2.310   6.108
  429   2HB   LYS  60           HBR      LYS  60  -2.442   0.973   7.265
  430   1HG   LYS  60           HGR      LYS  60  -2.714   2.331   9.024
  431   2HG   LYS  60           HGS      LYS  60  -1.566   3.532   8.364
  432   1HD   LYS  60           HDS      LYS  60  -3.754   3.882   6.757
  433   2HD   LYS  60           HDR      LYS  60  -4.495   3.444   8.271
  434   1HE   LYS  60           HES      LYS  60  -4.006   5.379   9.254
  435   2HE   LYS  60           HER      LYS  60  -2.349   5.386   8.588
  436   1HZ   LYS  60           HZA      LYS  60  -3.366   6.064   6.469
  437   2HZ   LYS  60           HZB      LYS  60  -4.806   6.234   7.223
  438   3HZ   LYS  60           HZC      LYS  60  -3.541   7.172   7.657
  439    H    GLY  61           HN       GLY  61   0.047  -0.309   5.665
  440   1HA   GLY  61           HAR      GLY  61   1.050  -1.683   7.954
  441   2HA   GLY  61           HAS      GLY  61   1.458  -2.009   6.248
  442    H    CYS  62           HN       CYS  62   2.180   1.110   6.377
  443    HA   CYS  62           HA       CYS  62   4.981   0.585   7.125
  444   1HB   CYS  62           HBS      CYS  62   3.547   1.803   4.882
  445   2HB   CYS  62           HBR      CYS  62   4.878   2.822   5.494
  446    OH   TYR  63           OH       TYR  63   1.606  10.339  10.774
  447    H    TYR  63           HN       TYR  63   2.643   3.278   6.960
  448    HA   TYR  63           HA       TYR  63   3.828   4.950   8.922
  449   1HB   TYR  63           HBS      TYR  63   1.793   5.334   7.312
  450   2HB   TYR  63           HBR      TYR  63   0.840   4.658   8.663
  451    HD1  TYR  63           HD1      TYR  63   0.912   5.856  10.906
  452    HD2  TYR  63           HD2      TYR  63   2.618   7.556   7.401
  453    HE1  TYR  63           HE1      TYR  63   0.841   8.076  11.956
  454    HE2  TYR  63           HE2      TYR  63   2.536   9.782   8.430
  455    HH   TYR  63           HH       TYR  63   2.652  10.574  10.956
  456    H    ALA  64           HN       ALA  64   2.365   1.858   9.145
  457    HA   ALA  64           HA       ALA  64   2.186   2.025  12.088
  458   1HB   ALA  64           HMB      ALA  64   0.517   0.763  10.699
  459   2HB   ALA  64           HMB      ALA  64   1.817  -0.389  10.301
  460   3HB   ALA  64           HMB      ALA  64   1.301  -0.176  11.993
  461    H    LYS  65           HN       LYS  65   3.781  -0.163   9.732
  462    HA   LYS  65           HA       LYS  65   5.247  -1.513  11.669
  463   1HB   LYS  65           HBS      LYS  65   4.829  -2.307   9.350
  464   2HB   LYS  65           HBR      LYS  65   6.056  -1.147   8.765
  465   1HG   LYS  65           HGR      LYS  65   7.635  -2.688   9.109
  466   2HG   LYS  65           HGS      LYS  65   7.265  -2.650  10.857
  467   1HD   LYS  65           HDS      LYS  65   6.068  -4.468   8.770
  468   2HD   LYS  65           HDR      LYS  65   7.195  -4.890  10.029
  469   1HE   LYS  65           HES      LYS  65   5.568  -5.280  11.461
  470   2HE   LYS  65           HER      LYS  65   4.952  -3.619  11.235
  471   1HZ   LYS  65           HZB      LYS  65   4.324  -5.892   9.481
  472   2HZ   LYS  65           HZC      LYS  65   3.341  -5.321  10.654
  473   3HZ   LYS  65           HZA      LYS  65   3.708  -4.383   9.368
  474    H    ASN  66           HN       ASN  66   6.019   1.435   9.919
  475    HA   ASN  66           HA       ASN  66   8.525   1.610  11.496
  476   1HB   ASN  66           HBS      ASN  66   8.366   1.504   8.816
  477   2HB   ASN  66           HBR      ASN  66   8.296   3.272   9.076
  478   1HD2  ASN  66           HD2      ASN  66  11.720   3.563   9.509
  479   2HD2  ASN  66           HD2      ASN  66  10.206   4.248   9.018
  480    H    PHE  67           HN       PHE  67   5.664   2.453  12.063
  481    HA   PHE  67           HA       PHE  67   4.703   4.090  13.330
  482   1HB   PHE  67           HBR      PHE  67   7.652   4.535  13.908
  483   2HB   PHE  67           HBS      PHE  67   6.365   5.496  14.693
  484    HD1  PHE  67           HD2      PHE  67   7.206   1.841  14.074
  485    HD2  PHE  67           HD1      PHE  67   5.479   4.806  16.601
  486    HE1  PHE  67           HE2      PHE  67   6.835   0.129  15.819
  487    HE2  PHE  67           HE1      PHE  67   5.106   3.127  18.351
  488    HZ   PHE  67           HZ       PHE  67   5.835   0.800  17.986
  489    H    GLY  68           HN       GLY  68   5.613   4.716  10.472
  490   1HA   GLY  68           HAS      GLY  68   4.542   6.564   9.347
  491   2HA   GLY  68           HAR      GLY  68   5.034   7.633  10.689
  492    HA   PRO  69           HA       PRO  69   8.561   9.055   8.879
  493   1HB   PRO  69           HBR      PRO  69  10.453   8.175  10.755
  494   2HB   PRO  69           HBS      PRO  69   9.966   9.712  10.446
  495   1HG   PRO  69           HGS      PRO  69   9.330   8.343  12.617
  496   2HG   PRO  69           HGR      PRO  69   8.523   9.703  12.088
  497   1HD   PRO  69           HDS      PRO  69   7.678   7.035  11.999
  498   2HD   PRO  69           HDR      PRO  69   6.771   8.405  11.809
  499    H    LYS  70           HN       LYS  70  10.832   8.801   8.027
  500    HA   LYS  70           HA       LYS  70  10.587   6.359   6.411
  501   1HB   LYS  70           HBR      LYS  70  12.669   8.449   5.903
  502   2HB   LYS  70           HBS      LYS  70  11.721   7.459   4.758
  503   1HG   LYS  70           HGR      LYS  70   9.769   8.836   5.075
  504   2HG   LYS  70           HGS      LYS  70  10.554   9.730   6.409
  505   1HD   LYS  70           HDS      LYS  70  11.259   9.805   3.478
  506   2HD   LYS  70           HDR      LYS  70  10.522  11.061   4.435
  507   1HE   LYS  70           HES      LYS  70  12.503  11.884   4.927
  508   2HE   LYS  70           HER      LYS  70  12.900  10.356   5.765
  509   1HZ   LYS  70           HZB      LYS  70  13.152  10.532   2.868
  510   2HZ   LYS  70           HZC      LYS  70  14.333  11.141   3.817
  511   3HZ   LYS  70           HZA      LYS  70  13.939   9.559   3.917
  512    H    GLY  71           HN       GLY  71  13.169   8.172   8.116
  513   1HA   GLY  71           HAS      GLY  71  14.781   6.716   9.480
  514   2HA   GLY  71           HAR      GLY  71  14.861   5.715   8.004
  515    H    PHE  72           HN       PHE  72  17.161   6.739   8.965
  516    HA   PHE  72           HA       PHE  72  17.825   8.800   6.919
  517   1HB   PHE  72           HBR      PHE  72  19.764   8.234   9.144
  518   2HB   PHE  72           HBS      PHE  72  19.505   9.721   8.184
  519    HD1  PHE  72           HD1      PHE  72  18.180   7.602  10.857
  520    HD2  PHE  72           HD2      PHE  72  17.942  11.435   9.012
  521    HE1  PHE  72           HE1      PHE  72  16.867   8.415  12.763
  522    HE2  PHE  72           HE2      PHE  72  16.614  12.278  10.920
  523    HZ   PHE  72           HZ       PHE  72  16.134  10.769  12.827
  524    H    GLY  73           HN       GLY  73  19.978   8.530   5.978
  525   1HA   GLY  73           HAR      GLY  73  20.895   5.683   5.930
  526   2HA   GLY  73           HAS      GLY  73  20.954   6.744   4.497
  527    H    PHE  74           HN       PHE  74  22.818   7.697   4.115
  528    HA   PHE  74           HA       PHE  74  24.790   8.082   6.290
  529   1HB   PHE  74           HBR      PHE  74  26.225   9.012   4.357
  530   2HB   PHE  74           HBS      PHE  74  25.942   7.247   4.422
  531    HD1  PHE  74           HD1      PHE  74  24.575   6.149   2.886
  532    HD2  PHE  74           HD2      PHE  74  25.211  10.345   2.500
  533    HE1  PHE  74           HE1      PHE  74  23.604   6.068   0.635
  534    HE2  PHE  74           HE2      PHE  74  24.239  10.289   0.226
  535    HZ   PHE  74           HZ       PHE  74  23.380   8.146  -0.675
  536    H    GLY  75           HN       GLY  75  22.341   9.683   4.507
  537   1HA   GLY  75           HAR      GLY  75  22.136  11.966   6.087
  538   2HA   GLY  75           HAS      GLY  75  23.348  12.364   4.841
  539    H    GLN  76           HN       GLN  76  22.445  13.490   3.276
  540    HA   GLN  76           HA       GLN  76  19.788  12.661   2.235
  541   1HB   GLN  76           HBR      GLN  76  21.306  15.249   1.851
  542   2HB   GLN  76           HBS      GLN  76  19.839  14.785   0.945
  543   1HG   GLN  76           HGS      GLN  76  18.470  14.980   2.799
  544   2HG   GLN  76           HGR      GLN  76  19.822  14.779   3.948
  545   1HE2  GLN  76           HE2      GLN  76  20.522  18.140   4.286
  546   2HE2  GLN  76           HE2      GLN  76  20.827  16.499   4.750
  547    H    GLY  77           HN       GLY  77  20.252  10.957   1.000
  548   1HA   GLY  77           HAS      GLY  77  22.693  10.796  -0.545
  549   2HA   GLY  77           HAR      GLY  77  21.390   9.580  -0.467
  550    H    ALA  78           HN       ALA  78  20.466   9.219  -2.345
  551    HA   ALA  78           HA       ALA  78  19.754   9.440  -4.510
  552   1HB   ALA  78           HMB      ALA  78  19.471  12.279  -3.560
  553   2HB   ALA  78           HMB      ALA  78  19.243  11.857  -5.276
  554   3HB   ALA  78           HMB      ALA  78  18.217  11.103  -4.030
  555    H    GLY  79           HN       GLY  79  22.562   9.577  -3.581
  556   1HA   GLY  79           HAR      GLY  79  24.573   9.442  -4.690
  557   2HA   GLY  79           HAS      GLY  79  23.660   9.704  -6.200
  558    H    ALA  80           HN       ALA  80  26.194  10.828  -4.627
  559    HA   ALA  80           HA       ALA  80  26.381  13.098  -6.254
  560   1HB   ALA  80           HMB      ALA  80  24.804  13.744  -4.129
  561   2HB   ALA  80           HMB      ALA  80  26.417  14.194  -3.519
  562   3HB   ALA  80           HMB      ALA  80  25.814  14.893  -5.043
  563    H    LEU  81           HN       LEU  81  27.803  10.743  -5.427
  564    HA   LEU  81           HA       LEU  81  30.228  11.935  -4.204
  565   1HB   LEU  81           HBR      LEU  81  30.803   9.549  -3.792
  566   2HB   LEU  81           HBS      LEU  81  29.308  10.115  -2.993
  567    HG   LEU  81           HG       LEU  81  28.116   9.016  -5.028
  568   1HD1  LEU  81           HMD      LEU  81  30.850   8.361  -5.558
  569   2HD1  LEU  81           HMD      LEU  81  29.982   6.863  -5.138
  570   3HD1  LEU  81           HMD      LEU  81  29.391   7.894  -6.467
  571   1HD2  LEU  81           HMD      LEU  81  29.343   7.837  -2.569
  572   2HD2  LEU  81           HMD      LEU  81  27.630   8.088  -2.992
  573   3HD2  LEU  81           HMD      LEU  81  28.537   6.737  -3.718
  574    H    ILE  82           HN       ILE  82  32.239  10.519  -4.982
  575    HA   ILE  82           HA       ILE  82  32.202   9.558  -7.662
  576    HB   ILE  82           HB       ILE  82  32.144  11.927  -8.279
  577   1HG1  ILE  82           HG1      ILE  82  34.829  11.720  -9.160
  578   2HG1  ILE  82           HG1      ILE  82  34.239  10.045  -8.958
  579   1HG2  ILE  82           HMG      ILE  82  33.921  12.283  -6.078
  580   2HG2  ILE  82           HMG      ILE  82  34.727  12.861  -7.561
  581   3HG2  ILE  82           HMG      ILE  82  33.132  13.512  -7.100
  582   1HD1  ILE  82           HMD      ILE  82  32.310  10.574 -10.404
  583   2HD1  ILE  82           HMD      ILE  82  32.957  12.219 -10.640
  584   3HD1  ILE  82           HMD      ILE  82  33.872  10.809 -11.234
  585    H    HIS  83           HN       HIS  83  32.923   7.919  -6.095
  586    HA   HIS  83           HA       HIS  83  35.851   7.945  -5.931
  587   1HB   HIS  83           HBS      HIS  83  34.088   7.524  -3.500
  588   2HB   HIS  83           HBR      HIS  83  35.686   6.737  -3.649
  589    HD1  HIS  83           HD1      HIS  83  34.120   9.912  -2.598
  590    HD2  HIS  83           HD2      HIS  83  37.842   8.658  -3.986
  591    HE1  HIS  83           HE1      HIS  83  35.765  11.666  -1.891
  592    HE2  HIS  83           HE2      HIS  83  38.023  10.901  -2.709
  593    H    SER  84           HN       SER  84  33.036   5.981  -4.891
  594    HA   SER  84           HA       SER  84  33.711   4.037  -6.984
  595   1HB   SER  84           HBR      SER  84  33.563   2.108  -5.585
  596   2HB   SER  84           HBS      SER  84  34.823   3.194  -4.932
  597    HG   SER  84           HG       SER  84  33.324   2.102  -3.420
  598    H    GLN  85           HN       GLN  85  31.829   2.124  -6.299
  599    HA   GLN  85           HA       GLN  85  29.315   3.309  -7.023
  600   1HB   GLN  85           HBS      GLN  85  28.331   1.147  -6.550
  601   2HB   GLN  85           HBR      GLN  85  29.790   0.997  -7.571
  602   1HG   GLN  85           HGS      GLN  85  31.031   0.006  -5.890
  603   2HG   GLN  85           HGR      GLN  85  29.997   0.670  -4.593
  604   1HE2  GLN  85           HE2      GLN  85  29.520  -3.067  -5.686
  605   2HE2  GLN  85           HE2      GLN  85  30.941  -2.097  -5.884
   
  Start of MODEL          12
 Raw file had  605 H/Q atoms
  Start of MODEL   12
    1   1H    MET   1           HNC      MET   1 -22.794  12.147   7.627
    2   2H    MET   1           HNB      MET   1 -23.088  13.702   7.221
    3   3H    MET   1           HN       MET   1 -24.010  12.964   8.350
    4    HA   MET   1           HA       MET   1 -25.260  11.854   6.933
    5   1HB   MET   1           HBS      MET   1 -24.403  14.466   5.937
    6   2HB   MET   1           HBR      MET   1 -24.983  13.400   4.632
    7   1HG   MET   1           HGS      MET   1 -26.548  13.732   7.226
    8   2HG   MET   1           HGR      MET   1 -26.707  14.896   5.891
    9   1HE   MET   1           HME      MET   1 -26.696  13.906   3.411
   10   2HE   MET   1           HME      MET   1 -28.006  12.793   2.942
   11   3HE   MET   1           HME      MET   1 -28.391  14.331   3.755
   12    H    ALA   2           HN       ALA   2 -24.876   9.907   6.190
   13    HA   ALA   2           HA       ALA   2 -22.634   9.522   4.267
   14   1HB   ALA   2           HMB      ALA   2 -23.040   8.467   6.808
   15   2HB   ALA   2           HMB      ALA   2 -23.520   7.154   5.703
   16   3HB   ALA   2           HMB      ALA   2 -21.899   7.883   5.569
   17    H    GLN   3           HN       GLN   3 -23.286   9.136   2.296
   18    HA   GLN   3           HA       GLN   3 -25.977   7.962   1.898
   19   1HB   GLN   3           HBR      GLN   3 -24.376   9.716   0.020
   20   2HB   GLN   3           HBS      GLN   3 -26.029   9.090  -0.240
   21   1HG   GLN   3           HGS      GLN   3 -26.730  10.335   1.822
   22   2HG   GLN   3           HGR      GLN   3 -25.106  11.079   1.851
   23   1HE2  GLN   3           HE2      GLN   3 -25.617  13.170  -0.954
   24   2HE2  GLN   3           HE2      GLN   3 -24.426  12.230  -0.118
   25    H    LYS   4           HN       LYS   4 -23.263   6.616   2.240
   26    HA   LYS   4           HA       LYS   4 -22.164   4.785   1.406
   27   1HB   LYS   4           HBR      LYS   4 -24.496   3.942   1.458
   28   2HB   LYS   4           HBS      LYS   4 -24.697   4.472  -0.237
   29   1HG   LYS   4           HGR      LYS   4 -22.329   2.794   0.099
   30   2HG   LYS   4           HGS      LYS   4 -23.814   1.967   0.653
   31   1HD   LYS   4           HDS      LYS   4 -24.048   3.386  -1.919
   32   2HD   LYS   4           HDR      LYS   4 -22.899   2.076  -1.906
   33   1HE   LYS   4           HES      LYS   4 -24.620   0.551  -1.023
   34   2HE   LYS   4           HER      LYS   4 -25.796   1.891  -1.124
   35   1HZ   LYS   4           HZA      LYS   4 -25.283   1.987  -3.500
   36   2HZ   LYS   4           HZB      LYS   4 -24.348   0.655  -3.360
   37   3HZ   LYS   4           HZC      LYS   4 -25.951   0.564  -3.059
   38    H    VAL   5           HN       VAL   5 -20.447   5.488   0.292
   39    HA   VAL   5           HA       VAL   5 -20.712   5.212  -2.612
   40    HB   VAL   5           HB       VAL   5 -20.770   7.661  -2.090
   41   1HG1  VAL   5           HMG      VAL   5 -19.216   7.758  -0.223
   42   2HG1  VAL   5           HMG      VAL   5 -17.882   7.237  -1.280
   43   3HG1  VAL   5           HMG      VAL   5 -18.669   8.810  -1.552
   44   1HG2  VAL   5           HMG      VAL   5 -19.150   6.239  -4.019
   45   2HG2  VAL   5           HMG      VAL   5 -20.173   7.680  -4.221
   46   3HG2  VAL   5           HMG      VAL   5 -18.487   7.855  -3.681
   47    H    GLY   6           HN       GLY   6 -19.126   4.066  -3.495
   48   1HA   GLY   6           HAR      GLY   6 -16.857   3.377  -3.728
   49   2HA   GLY   6           HAS      GLY   6 -16.606   3.657  -1.984
   50    H    GLY   7           HN       GLY   7 -15.626   1.398  -2.644
   51   1HA   GLY   7           HAS      GLY   7 -15.688  -0.892  -2.168
   52   2HA   GLY   7           HAR      GLY   7 -17.407  -0.743  -1.715
   53    H    SER   8           HN       SER   8 -16.992  -2.856  -3.133
   54    HA   SER   8           HA       SER   8 -17.342  -4.027  -5.067
   55   1HB   SER   8           HBS      SER   8 -19.406  -2.359  -4.680
   56   2HB   SER   8           HBR      SER   8 -18.865  -1.786  -6.284
   57    HG   SER   8           HG       SER   8 -19.353  -4.533  -5.453
   58    H    ASP   9           HN       ASP   9 -17.497  -3.633  -7.643
   59    HA   ASP   9           HA       ASP   9 -16.861  -2.594  -9.601
   60   1HB   ASP   9           HBR      ASP   9 -16.568  -0.428  -7.962
   61   2HB   ASP   9           HBS      ASP   9 -14.904  -0.689  -8.560
   62    H    GLY  10           HN       GLY  10 -14.668  -2.285 -10.762
   63   1HA   GLY  10           HAS      GLY  10 -13.662  -5.003 -10.248
   64   2HA   GLY  10           HAR      GLY  10 -13.840  -4.203 -11.832
   65    H    CYS  11           HN       CYS  11 -11.592  -5.381 -11.759
   66    HA   CYS  11           HA       CYS  11  -9.526  -3.665 -10.489
   67   1HB   CYS  11           HBS      CYS  11 -10.122  -6.006  -9.581
   68   2HB   CYS  11           HBR      CYS  11  -9.304  -6.617 -11.047
   69    HA   PRO  12           HA       PRO  12  -7.869  -3.308 -14.641
   70   1HB   PRO  12           HBS      PRO  12  -6.460  -1.155 -13.703
   71   2HB   PRO  12           HBR      PRO  12  -7.685  -1.120 -14.796
   72   1HG   PRO  12           HGS      PRO  12  -7.739  -0.166 -12.276
   73   2HG   PRO  12           HGR      PRO  12  -9.051  -0.295 -13.300
   74   1HD   PRO  12           HDS      PRO  12  -8.377  -1.922 -11.117
   75   2HD   PRO  12           HDR      PRO  12  -9.832  -1.796 -11.895
   76    NH1  ARG  13           NH1      ARG  13  -0.673  -2.687  -8.400
   77    NH2  ARG  13           NH2      ARG  13   0.911  -3.428  -9.888
   78    H    ARG  13           HN       ARG  13  -6.794  -3.998 -11.603
   79    HA   ARG  13           HA       ARG  13  -3.991  -3.808 -12.132
   80   1HB   ARG  13           HBR      ARG  13  -5.605  -3.988  -9.874
   81   2HB   ARG  13           HBS      ARG  13  -4.699  -5.528  -9.880
   82   1HG   ARG  13           HGS      ARG  13  -3.078  -3.106 -10.396
   83   2HG   ARG  13           HGR      ARG  13  -3.809  -3.206  -8.768
   84   1HD   ARG  13           HDS      ARG  13  -2.331  -4.708  -8.138
   85   2HD   ARG  13           HDR      ARG  13  -2.743  -5.756  -9.524
   86    HE   ARG  13           HE       ARG  13  -0.883  -4.957 -10.657
   87   1HH1  ARG  13           HH1      ARG  13  -1.591  -2.743  -8.007
   88   2HH1  ARG  13           HH1      ARG  13  -0.030  -1.996  -8.070
   89   1HH2  ARG  13           HH2      ARG  13   1.192  -4.045 -10.624
   90   2HH2  ARG  13           HH2      ARG  13   1.546  -2.732  -9.551
   91    H    CYS  14           HN       CYS  14  -6.144  -6.617 -11.560
   92    HA   CYS  14           HA       CYS  14  -4.000  -8.383 -12.626
   93   1HB   CYS  14           HBR      CYS  14  -5.318 -10.253 -11.740
   94   2HB   CYS  14           HBS      CYS  14  -4.736  -9.123 -10.486
   95    H    GLY  15           HN       GLY  15  -7.273  -7.185 -13.079
   96   1HA   GLY  15           HAR      GLY  15  -7.828  -7.250 -15.578
   97   2HA   GLY  15           HAS      GLY  15  -7.696  -9.020 -15.398
   98    H    GLN  16           HN       GLN  16  -8.847  -9.334 -12.864
   99    HA   GLN  16           HA       GLN  16 -11.466  -9.759 -13.791
  100   1HB   GLN  16           HBR      GLN  16  -9.927 -10.563 -11.552
  101   2HB   GLN  16           HBS      GLN  16 -11.459  -9.883 -10.935
  102   1HG   GLN  16           HGS      GLN  16 -12.269 -11.938 -11.292
  103   2HG   GLN  16           HGR      GLN  16 -12.346 -11.426 -13.001
  104   1HE2  GLN  16           HE2      GLN  16 -10.029 -14.491 -11.816
  105   2HE2  GLN  16           HE2      GLN  16 -11.148 -13.668 -10.783
  106    H    ALA  17           HN       ALA  17 -13.241  -9.240 -11.832
  107    HA   ALA  17           HA       ALA  17 -12.973  -6.557 -10.828
  108   1HB   ALA  17           HMB      ALA  17 -15.094  -7.154 -12.899
  109   2HB   ALA  17           HMB      ALA  17 -15.206  -5.807 -11.738
  110   3HB   ALA  17           HMB      ALA  17 -13.865  -5.864 -12.910
  111    H    VAL  18           HN       VAL  18 -14.316  -6.197  -9.073
  112    HA   VAL  18           HA       VAL  18 -15.605  -8.689  -8.115
  113    HB   VAL  18           HB       VAL  18 -14.301  -6.727  -6.261
  114   1HG1  VAL  18           HMG      VAL  18 -15.415  -9.394  -6.100
  115   2HG1  VAL  18           HMG      VAL  18 -13.737  -9.340  -5.506
  116   3HG1  VAL  18           HMG      VAL  18 -14.963  -8.253  -4.810
  117   1HG2  VAL  18           HMG      VAL  18 -12.706  -7.261  -8.159
  118   2HG2  VAL  18           HMG      VAL  18 -12.155  -7.653  -6.513
  119   3HG2  VAL  18           HMG      VAL  18 -12.749  -8.945  -7.585
  120    OH   TYR  19           OH       TYR  19 -20.670 -13.303  -7.301
  121    H    TYR  19           HN       TYR  19 -17.447  -8.662  -6.977
  122    HA   TYR  19           HA       TYR  19 -18.832  -6.033  -6.732
  123   1HB   TYR  19           HBS      TYR  19 -20.912  -7.209  -7.232
  124   2HB   TYR  19           HBR      TYR  19 -19.729  -7.382  -8.559
  125    HD1  TYR  19           HD1      TYR  19 -18.288  -9.618  -8.460
  126    HD2  TYR  19           HD2      TYR  19 -22.013  -9.100  -6.474
  127    HE1  TYR  19           HE1      TYR  19 -18.606 -12.055  -8.434
  128    HE2  TYR  19           HE2      TYR  19 -22.338 -11.532  -6.432
  129    HH   TYR  19           HH       TYR  19 -21.363 -13.521  -8.111
  130    H    ALA  20           HN       ALA  20 -17.206  -7.807  -4.818
  131    HA   ALA  20           HA       ALA  20 -18.603  -7.235  -2.503
  132   1HB   ALA  20           HMB      ALA  20 -19.058 -10.074  -3.435
  133   2HB   ALA  20           HMB      ALA  20 -19.189  -9.570  -1.730
  134   3HB   ALA  20           HMB      ALA  20 -20.262  -8.850  -2.957
  135    H    ALA  21           HN       ALA  21 -16.432  -9.527  -4.109
  136    HA   ALA  21           HA       ALA  21 -15.461 -10.765  -1.862
  137   1HB   ALA  21           HMB      ALA  21 -15.057 -10.989  -4.561
  138   2HB   ALA  21           HMB      ALA  21 -13.441 -10.509  -3.982
  139   3HB   ALA  21           HMB      ALA  21 -14.239 -11.951  -3.304
  140    H    GLU  22           HN       GLU  22 -13.296  -8.606  -3.736
  141    HA   GLU  22           HA       GLU  22 -11.853  -8.084  -1.167
  142   1HB   GLU  22           HBS      GLU  22 -10.822  -9.011  -3.812
  143   2HB   GLU  22           HBR      GLU  22  -9.830  -8.711  -2.496
  144   1HG   GLU  22           HGR      GLU  22 -11.679 -11.046  -3.079
  145   2HG   GLU  22           HGS      GLU  22 -10.046 -11.023  -2.359
  146    H    LYS  23           HN       LYS  23 -13.497  -6.487  -3.304
  147    HA   LYS  23           HA       LYS  23 -11.476  -5.025  -4.785
  148   1HB   LYS  23           HBS      LYS  23 -13.596  -3.584  -5.373
  149   2HB   LYS  23           HBR      LYS  23 -13.358  -5.205  -6.080
  150   1HG   LYS  23           HGR      LYS  23 -15.699  -4.718  -5.307
  151   2HG   LYS  23           HGS      LYS  23 -14.966  -6.179  -4.583
  152   1HD   LYS  23           HDS      LYS  23 -14.336  -4.744  -2.607
  153   2HD   LYS  23           HDR      LYS  23 -15.313  -3.481  -3.304
  154   1HE   LYS  23           HES      LYS  23 -17.310  -4.623  -3.001
  155   2HE   LYS  23           HER      LYS  23 -16.476  -6.195  -2.846
  156   1HZ   LYS  23           HZB      LYS  23 -15.462  -4.770  -0.832
  157   2HZ   LYS  23           HZC      LYS  23 -16.998  -4.216  -0.861
  158   3HZ   LYS  23           HZA      LYS  23 -16.709  -5.815  -0.693
  159    H    VAL  24           HN       VAL  24 -11.284  -2.727  -4.844
  160    HA   VAL  24           HA       VAL  24 -11.352  -1.525  -2.152
  161    HB   VAL  24           HB       VAL  24  -9.646  -3.489  -2.666
  162   1HG1  VAL  24           HMG      VAL  24  -8.556  -2.098  -4.536
  163   2HG1  VAL  24           HMG      VAL  24  -7.800  -1.169  -3.219
  164   3HG1  VAL  24           HMG      VAL  24  -7.508  -2.920  -3.355
  165   1HG2  VAL  24           HMG      VAL  24 -10.048  -1.790  -0.635
  166   2HG2  VAL  24           HMG      VAL  24  -8.754  -3.011  -0.677
  167   3HG2  VAL  24           HMG      VAL  24  -8.393  -1.317  -1.086
  168    H    ILE  25           HN       ILE  25  -9.859   0.468  -2.141
  169    HA   ILE  25           HA       ILE  25  -9.733   1.808  -4.787
  170    HB   ILE  25           HB       ILE  25 -10.837   3.821  -3.724
  171   1HG1  ILE  25           HG1      ILE  25 -10.364   2.975  -1.376
  172   2HG1  ILE  25           HG1      ILE  25 -11.964   3.719  -1.656
  173   1HG2  ILE  25           HMG      ILE  25 -12.505   1.309  -3.953
  174   2HG2  ILE  25           HMG      ILE  25 -13.166   2.962  -3.855
  175   3HG2  ILE  25           HMG      ILE  25 -12.136   2.494  -5.235
  176   1HD1  ILE  25           HMD      ILE  25 -12.428   1.034  -2.132
  177   2HD1  ILE  25           HMD      ILE  25 -11.267   1.018  -0.777
  178   3HD1  ILE  25           HMD      ILE  25 -12.799   1.920  -0.628
  179    H    GLY  26           HN       GLY  26  -8.155   3.275  -5.012
  180   1HA   GLY  26           HAR      GLY  26  -6.967   4.524  -2.639
  181   2HA   GLY  26           HAS      GLY  26  -5.825   3.642  -3.687
  182    H    ALA  27           HN       ALA  27  -7.646   6.507  -3.218
  183    HA   ALA  27           HA       ALA  27  -7.618   8.546  -4.265
  184   1HB   ALA  27           HMB      ALA  27  -5.197   8.230  -4.526
  185   2HB   ALA  27           HMB      ALA  27  -5.480   7.337  -6.041
  186   3HB   ALA  27           HMB      ALA  27  -5.926   9.058  -5.925
  187    H    GLY  28           HN       GLY  28  -6.741   6.618  -7.115
  188   1HA   GLY  28           HAS      GLY  28  -9.456   7.130  -8.253
  189   2HA   GLY  28           HAR      GLY  28  -7.969   7.648  -9.091
  190    H    LYS  29           HN       LYS  29  -7.748   4.741  -7.250
  191    HA   LYS  29           HA       LYS  29  -7.945   3.116  -9.744
  192   1HB   LYS  29           HBR      LYS  29  -5.942   3.262  -7.554
  193   2HB   LYS  29           HBS      LYS  29  -6.382   1.627  -8.124
  194   1HG   LYS  29           HGR      LYS  29  -4.938   1.879  -9.809
  195   2HG   LYS  29           HGS      LYS  29  -5.977   3.183 -10.452
  196   1HD   LYS  29           HDS      LYS  29  -4.732   4.865  -9.471
  197   2HD   LYS  29           HDR      LYS  29  -4.026   3.796  -8.290
  198   1HE   LYS  29           HES      LYS  29  -3.406   3.640 -11.235
  199   2HE   LYS  29           HER      LYS  29  -2.457   4.568 -10.039
  200   1HZ   LYS  29           HZB      LYS  29  -2.697   2.116  -8.951
  201   2HZ   LYS  29           HZC      LYS  29  -2.487   1.777 -10.534
  202   3HZ   LYS  29           HZA      LYS  29  -1.383   2.681  -9.739
  203    H    SER  30           HN       SER  30  -8.636   0.960  -9.550
  204    HA   SER  30           HA       SER  30  -9.938   0.241  -6.977
  205   1HB   SER  30           HBR      SER  30 -11.442  -1.249  -8.439
  206   2HB   SER  30           HBS      SER  30 -11.795   0.500  -8.330
  207    HG   SER  30           HG       SER  30 -11.000  -1.168 -10.445
  208    CH2  TRP  31           CH2      TRP  31  -2.921   1.052  -6.264
  209    H    TRP  31           HN       TRP  31  -9.480  -1.713  -6.178
  210    HA   TRP  31           HA       TRP  31  -7.762  -3.550  -7.732
  211   1HB   TRP  31           HBS      TRP  31  -6.706  -3.097  -5.057
  212   2HB   TRP  31           HBR      TRP  31  -5.885  -3.212  -6.636
  213    HD1  TRP  31           HD1      TRP  31  -8.279  -0.362  -5.477
  214    HE1  TRP  31           HE1      TRP  31  -6.966   1.846  -5.497
  215    HE3  TRP  31           HE3      TRP  31  -3.659  -2.253  -6.446
  216    HZ2  TRP  31           HZ2      TRP  31  -4.301   2.647  -5.847
  217    HZ3  TRP  31           HZ3      TRP  31  -1.760  -0.708  -6.569
  218    HH2  TRP  31           HH2      TRP  31  -2.071   1.699  -6.331
  219    H    HIS  32           HN       ZHI  32  -7.404  -5.584  -6.683
  220    HA   HIS  32           HA       ZHI  32  -9.458  -6.423  -4.732
  221   1HB   HIS  32           HBS      ZHI  32  -7.148  -7.964  -5.996
  222   2HB   HIS  32           HBR      ZHI  32  -8.237  -8.616  -4.737
  223    HD2  HIS  32           HD2      ZHI  32 -10.892  -9.069  -5.603
  224    HE1  HIS  32           HE1      ZHI  32  -9.810  -9.291  -9.657
  225    HE2  HIS  32           HE2      ZHI  32 -11.429 -10.122  -7.913
  226    H    LYS  33           HN       LYS  33  -8.832  -7.225  -2.666
  227    HA   LYS  33           HA       LYS  33  -6.312  -6.338  -1.469
  228   1HB   LYS  33           HBR      LYS  33  -6.919  -7.741   0.408
  229   2HB   LYS  33           HBS      LYS  33  -8.301  -6.711  -0.064
  230   1HG   LYS  33           HGR      LYS  33  -9.610  -8.483  -0.567
  231   2HG   LYS  33           HGS      LYS  33  -8.270  -9.385  -1.333
  232   1HD   LYS  33           HDS      LYS  33  -7.925  -9.166   1.540
  233   2HD   LYS  33           HDR      LYS  33  -9.473  -9.854   1.136
  234   1HE   LYS  33           HES      LYS  33  -8.196 -11.740   1.228
  235   2HE   LYS  33           HER      LYS  33  -8.120 -11.339  -0.511
  236   1HZ   LYS  33           HZC      LYS  33  -6.093 -10.250   1.256
  237   2HZ   LYS  33           HZA      LYS  33  -5.985 -11.825   0.841
  238   3HZ   LYS  33           HZB      LYS  33  -5.984 -10.674  -0.317
  239    H    SER  34           HN       SER  34  -4.476  -7.484  -1.288
  240    HA   SER  34           HA       SER  34  -2.804  -8.831  -2.064
  241   1HB   SER  34           HBR      SER  34  -4.580 -10.719  -1.517
  242   2HB   SER  34           HBS      SER  34  -4.628 -10.840  -3.300
  243    HG   SER  34           HG       SER  34  -2.221 -10.757  -3.194
  244    H    CYS  35           HN       CYS  35  -4.916  -7.078  -3.732
  245    HA   CYS  35           HA       CYS  35  -3.005  -7.181  -6.004
  246   1HB   CYS  35           HBS      CYS  35  -5.918  -6.503  -5.989
  247   2HB   CYS  35           HBR      CYS  35  -4.823  -5.572  -7.049
  248    H    PHE  36           HN       PHE  36  -4.844  -5.282  -3.651
  249    HA   PHE  36           HA       PHE  36  -3.632  -2.844  -3.897
  250   1HB   PHE  36           HBR      PHE  36  -5.379  -3.810  -2.087
  251   2HB   PHE  36           HBS      PHE  36  -3.905  -3.798  -1.075
  252    HD1  PHE  36           HD2      PHE  36  -2.477  -1.384  -1.666
  253    HD2  PHE  36           HD1      PHE  36  -6.682  -2.082  -1.664
  254    HE1  PHE  36           HE2      PHE  36  -2.870   0.966  -0.987
  255    HE2  PHE  36           HE1      PHE  36  -7.097   0.305  -1.274
  256    HZ   PHE  36           HZ       PHE  36  -5.190   1.849  -1.017
  257    NH1  ARG  37           NH1      ARG  37   4.675  -7.080  -5.434
  258    NH2  ARG  37           NH2      ARG  37   3.488  -8.571  -6.715
  259    H    ARG  37           HN       ARG  37  -1.594  -2.355  -4.134
  260    HA   ARG  37           HA       ARG  37   0.449  -3.838  -2.544
  261   1HB   ARG  37           HBS      ARG  37   0.271  -3.155  -5.457
  262   2HB   ARG  37           HBR      ARG  37   1.873  -3.164  -4.665
  263   1HG   ARG  37           HGS      ARG  37   0.546  -5.554  -3.894
  264   2HG   ARG  37           HGR      ARG  37   0.316  -5.370  -5.655
  265   1HD   ARG  37           HDS      ARG  37   2.848  -4.791  -5.643
  266   2HD   ARG  37           HDR      ARG  37   2.836  -5.624  -4.063
  267    HE   ARG  37           HE       ARG  37   1.520  -7.241  -5.999
  268   1HH1  ARG  37           HH1      ARG  37   4.710  -6.269  -4.850
  269   2HH1  ARG  37           HH1      ARG  37   5.511  -7.595  -5.622
  270   1HH2  ARG  37           HH2      ARG  37   2.621  -8.887  -7.102
  271   2HH2  ARG  37           HH2      ARG  37   4.330  -9.079  -6.895
  272    H    CYS  38           HN       CYS  38   1.562  -2.609  -1.230
  273    HA   CYS  38           HA       CYS  38   1.838   0.225  -1.325
  274   1HB   CYS  38           HBS      CYS  38   2.324  -1.394   0.588
  275   2HB   CYS  38           HBR      CYS  38   3.890  -1.680  -0.219
  276    H    ALA  39           HN       ALA  39   2.492   1.200  -3.105
  277    HA   ALA  39           HA       ALA  39   4.917   0.343  -4.493
  278   1HB   ALA  39           HMB      ALA  39   2.773   1.475  -5.450
  279   2HB   ALA  39           HMB      ALA  39   3.554   2.984  -4.911
  280   3HB   ALA  39           HMB      ALA  39   4.380   1.921  -6.078
  281    H    LYS  40           HN       LYS  40   4.768   1.366  -1.569
  282    HA   LYS  40           HA       LYS  40   7.115   3.184  -1.812
  283   1HB   LYS  40           HBS      LYS  40   5.099   3.310   0.015
  284   2HB   LYS  40           HBR      LYS  40   6.268   2.266   0.870
  285   1HG   LYS  40           HGR      LYS  40   6.763   5.061  -0.222
  286   2HG   LYS  40           HGS      LYS  40   6.647   4.577   1.494
  287   1HD   LYS  40           HDS      LYS  40   8.796   4.175   1.570
  288   2HD   LYS  40           HDR      LYS  40   8.602   2.933   0.363
  289   1HE   LYS  40           HES      LYS  40  10.297   4.781  -0.102
  290   2HE   LYS  40           HER      LYS  40   9.162   4.310  -1.399
  291   1HZ   LYS  40           HZB      LYS  40   8.314   6.437   0.349
  292   2HZ   LYS  40           HZC      LYS  40   9.544   6.794  -0.666
  293   3HZ   LYS  40           HZA      LYS  40   8.119   6.266  -1.263
  294    H    CYS  41           HN       CYS  41   6.276   0.523   0.422
  295    HA   CYS  41           HA       CYS  41   9.096  -0.102   0.493
  296   1HB   CYS  41           HBS      CYS  41   8.615  -1.495   2.375
  297   2HB   CYS  41           HBR      CYS  41   7.821   0.094   2.530
  298    H    GLY  42           HN       GLY  42   6.397  -1.337  -1.201
  299   1HA   GLY  42           HAS      GLY  42   6.578  -2.781  -3.023
  300   2HA   GLY  42           HAR      GLY  42   8.125  -3.389  -2.377
  301    H    LYS  43           HN       LYS  43   5.305  -3.143  -0.321
  302    HA   LYS  43           HA       LYS  43   5.037  -6.097  -0.329
  303   1HB   LYS  43           HBR      LYS  43   4.967  -4.029   1.704
  304   2HB   LYS  43           HBS      LYS  43   3.467  -5.000   1.722
  305   1HG   LYS  43           HGR      LYS  43   5.760  -6.742   1.460
  306   2HG   LYS  43           HGS      LYS  43   5.981  -5.651   2.858
  307   1HD   LYS  43           HDS      LYS  43   4.302  -6.548   4.037
  308   2HD   LYS  43           HDR      LYS  43   3.307  -6.809   2.631
  309   1HE   LYS  43           HES      LYS  43   4.897  -8.712   2.021
  310   2HE   LYS  43           HER      LYS  43   5.501  -8.543   3.694
  311   1HZ   LYS  43           HZB      LYS  43   2.686  -8.623   3.599
  312   2HZ   LYS  43           HZC      LYS  43   3.321  -9.951   2.892
  313   3HZ   LYS  43           HZA      LYS  43   3.720  -9.575   4.430
  314    H    SER  44           HN       SER  44   3.405  -6.989  -1.325
  315    HA   SER  44           HA       SER  44   0.914  -5.539  -1.905
  316   1HB   SER  44           HBS      SER  44   0.211  -7.418  -3.083
  317   2HB   SER  44           HBR      SER  44   1.959  -7.293  -3.440
  318    HG   SER  44           HG       SER  44   0.433  -9.070  -1.753
  319    H    LEU  45           HN       LEU  45  -0.398  -5.164  -0.294
  320    HA   LEU  45           HA       LEU  45  -1.134  -7.357   1.547
  321   1HB   LEU  45           HBR      LEU  45  -0.777  -5.690   3.444
  322   2HB   LEU  45           HBS      LEU  45   0.655  -6.479   2.727
  323    HG   LEU  45           HG       LEU  45   1.183  -4.422   1.507
  324   1HD1  LEU  45           HMD      LEU  45  -1.168  -3.586   1.341
  325   2HD1  LEU  45           HMD      LEU  45  -1.090  -3.168   3.072
  326   3HD1  LEU  45           HMD      LEU  45   0.003  -2.373   1.910
  327   1HD2  LEU  45           HMD      LEU  45   1.406  -4.987   4.226
  328   2HD2  LEU  45           HMD      LEU  45   2.332  -3.770   3.313
  329   3HD2  LEU  45           HMD      LEU  45   0.849  -3.295   4.181
  330    H    GLU  46           HN       GLU  46  -2.637  -5.989   3.317
  331    HA   GLU  46           HA       GLU  46  -3.933  -3.684   2.375
  332   1HB   GLU  46           HBS      GLU  46  -4.916  -5.209   0.826
  333   2HB   GLU  46           HBR      GLU  46  -5.433  -6.281   2.009
  334   1HG   GLU  46           HGS      GLU  46  -6.314  -3.386   1.717
  335   2HG   GLU  46           HGR      GLU  46  -7.283  -4.729   1.053
  336    H    SER  47           HN       SER  47  -5.696  -6.342   3.914
  337    HA   SER  47           HA       SER  47  -6.224  -6.869   6.043
  338   1HB   SER  47           HBR      SER  47  -4.606  -6.849   7.631
  339   2HB   SER  47           HBS      SER  47  -3.628  -6.668   6.148
  340    HG   SER  47           HG       SER  47  -4.420  -4.760   8.171
  341    H    THR  48           HN       THR  48  -4.968  -3.516   6.367
  342    HA   THR  48           HA       THR  48  -7.608  -2.675   7.432
  343    HB   THR  48           HB       THR  48  -5.932  -1.529   9.278
  344    HG1  THR  48           HG1      THR  48  -4.541  -2.762   9.829
  345   1HG2  THR  48           HMG      THR  48  -7.941  -3.427   9.372
  346   2HG2  THR  48           HMG      THR  48  -6.562  -4.242  10.154
  347   3HG2  THR  48           HMG      THR  48  -7.135  -2.670  10.770
  348    H    THR  49           HN       THR  49  -4.482  -1.094   7.839
  349    HA   THR  49           HA       THR  49  -5.708   1.327   6.840
  350    HB   THR  49           HB       THR  49  -2.811   1.202   7.752
  351    HG1  THR  49           HG1      THR  49  -3.217   0.648   9.423
  352   1HG2  THR  49           HMG      THR  49  -5.074   3.173   8.058
  353   2HG2  THR  49           HMG      THR  49  -3.602   3.252   9.059
  354   3HG2  THR  49           HMG      THR  49  -3.484   3.402   7.288
  355    H    LEU  50           HN       LEU  50  -5.596   2.096   4.888
  356    HA   LEU  50           HA       LEU  50  -3.161   1.594   3.284
  357   1HB   LEU  50           HBS      LEU  50  -4.395   1.157   1.311
  358   2HB   LEU  50           HBR      LEU  50  -5.011   0.065   2.585
  359    HG   LEU  50           HG       LEU  50  -6.862   1.899   2.847
  360   1HD1  LEU  50           HMD      LEU  50  -5.385   2.839   0.569
  361   2HD1  LEU  50           HMD      LEU  50  -7.012   2.334   0.047
  362   3HD1  LEU  50           HMD      LEU  50  -6.828   3.542   1.343
  363   1HD2  LEU  50           HMD      LEU  50  -6.462  -0.418   1.071
  364   2HD2  LEU  50           HMD      LEU  50  -7.773  -0.063   2.225
  365   3HD2  LEU  50           HMD      LEU  50  -7.805   0.652   0.593
  366    H    ALA  51           HN       ALA  51  -2.771   3.256   1.709
  367    HA   ALA  51           HA       ALA  51  -3.895   5.891   2.495
  368   1HB   ALA  51           HMB      ALA  51  -1.548   4.746   3.570
  369   2HB   ALA  51           HMB      ALA  51  -1.026   6.002   2.417
  370   3HB   ALA  51           HMB      ALA  51  -2.147   6.417   3.740
  371    H    ASP  52           HN       ASP  52  -4.686   6.239   0.468
  372    HA   ASP  52           HA       ASP  52  -2.940   5.964  -1.821
  373   1HB   ASP  52           HBS      ASP  52  -4.986   6.909  -3.032
  374   2HB   ASP  52           HBR      ASP  52  -5.067   5.283  -2.294
  375    H    LYS  53           HN       LYS  53  -2.398   7.577  -3.312
  376    HA   LYS  53           HA       LYS  53  -3.129  10.242  -3.183
  377   1HB   LYS  53           HBR      LYS  53  -1.057   9.649  -1.243
  378   2HB   LYS  53           HBS      LYS  53  -0.459  10.777  -2.494
  379   1HG   LYS  53           HGR      LYS  53  -2.331  12.296  -2.045
  380   2HG   LYS  53           HGS      LYS  53  -2.981  11.157  -0.831
  381   1HD   LYS  53           HDS      LYS  53  -0.179  12.045  -0.460
  382   2HD   LYS  53           HDR      LYS  53  -1.408  13.266  -0.279
  383   1HE   LYS  53           HES      LYS  53  -2.041  12.515   1.703
  384   2HE   LYS  53           HER      LYS  53  -2.177  10.845   1.085
  385   1HZ   LYS  53           HZC      LYS  53   0.469  11.267   1.226
  386   2HZ   LYS  53           HZA      LYS  53  -0.067  12.059   2.549
  387   3HZ   LYS  53           HZB      LYS  53  -0.420  10.477   2.346
  388    H    ASP  54           HN       ASP  54  -2.563  11.208  -5.022
  389    HA   ASP  54           HA       ASP  54  -1.616  11.604  -7.039
  390   1HB   ASP  54           HBS      ASP  54   0.624  11.019  -5.214
  391   2HB   ASP  54           HBR      ASP  54   0.993  10.977  -6.962
  392    H    GLY  55           HN       GLY  55  -2.928   9.095  -6.659
  393   1HA   GLY  55           HAR      GLY  55  -3.502   7.673  -8.495
  394   2HA   GLY  55           HAS      GLY  55  -1.831   7.808  -9.103
  395    H    GLU  56           HN       GLU  56  -1.008   7.494  -6.124
  396    HA   GLU  56           HA       GLU  56  -1.009   4.503  -6.208
  397   1HB   GLU  56           HBS      GLU  56   0.953   6.522  -6.516
  398   2HB   GLU  56           HBR      GLU  56   1.341   5.740  -5.084
  399   1HG   GLU  56           HGS      GLU  56   1.995   3.819  -6.178
  400   2HG   GLU  56           HGR      GLU  56   0.676   3.893  -7.377
  401    H    ILE  57           HN       ILE  57   0.468   4.009  -4.001
  402    HA   ILE  57           HA       ILE  57  -1.268   4.898  -1.763
  403    HB   ILE  57           HB       ILE  57  -1.952   2.524  -1.423
  404   1HG1  ILE  57           HG1      ILE  57  -0.425   2.097  -4.013
  405   2HG1  ILE  57           HG1      ILE  57  -0.093   1.381  -2.411
  406   1HG2  ILE  57           HMG      ILE  57  -3.097   4.289  -3.103
  407   2HG2  ILE  57           HMG      ILE  57  -2.800   2.936  -4.228
  408   3HG2  ILE  57           HMG      ILE  57  -3.766   2.673  -2.751
  409   1HD1  ILE  57           HMD      ILE  57  -2.781   0.780  -3.421
  410   2HD1  ILE  57           HMD      ILE  57  -1.469   0.175  -4.467
  411   3HD1  ILE  57           HMD      ILE  57  -1.531  -0.301  -2.749
  412    OH   TYR  58           OH       TYR  58   3.977   8.297  -1.943
  413    H    TYR  58           HN       TYR  58  -0.666   3.890   0.283
  414    HA   TYR  58           HA       TYR  58   1.806   2.386   0.303
  415   1HB   TYR  58           HBR      TYR  58   1.663   4.631   2.328
  416   2HB   TYR  58           HBS      TYR  58   3.055   3.620   1.853
  417    HD1  TYR  58           HD1      TYR  58   0.665   5.953   0.090
  418    HD2  TYR  58           HD2      TYR  58   4.703   4.938   0.946
  419    HE1  TYR  58           HE1      TYR  58   1.426   7.760  -1.392
  420    HE2  TYR  58           HE2      TYR  58   5.479   6.695  -0.582
  421    HH   TYR  58           HH       TYR  58   4.524   8.967  -1.283
  422    H    CYS  59           HN       CYS  59   2.188   1.607   2.666
  423    HA   CYS  59           HA       CYS  59  -0.425   0.345   3.044
  424   1HB   CYS  59           HBS      CYS  59   0.649  -1.659   3.457
  425   2HB   CYS  59           HBR      CYS  59   1.443  -0.887   2.066
  426    H    LYS  60           HN       LYS  60  -1.085  -0.621   5.019
  427    HA   LYS  60           HA       LYS  60  -0.795   0.896   7.430
  428   1HB   LYS  60           HBR      LYS  60  -1.649  -1.185   8.534
  429   2HB   LYS  60           HBS      LYS  60  -2.688  -0.533   7.235
  430   1HG   LYS  60           HGR      LYS  60  -2.691  -2.887   6.943
  431   2HG   LYS  60           HGS      LYS  60  -1.590  -2.245   5.690
  432   1HD   LYS  60           HDS      LYS  60   0.181  -3.292   6.502
  433   2HD   LYS  60           HDR      LYS  60  -0.187  -2.827   8.140
  434   1HE   LYS  60           HES      LYS  60  -1.708  -4.656   8.430
  435   2HE   LYS  60           HER      LYS  60  -1.552  -5.086   6.703
  436   1HZ   LYS  60           HZB      LYS  60   0.676  -5.108   8.619
  437   2HZ   LYS  60           HZC      LYS  60  -0.180  -6.431   8.191
  438   3HZ   LYS  60           HZA      LYS  60   0.709  -5.636   7.074
  439    H    GLY  61           HN       GLY  61   0.976  -1.770   5.960
  440   1HA   GLY  61           HAR      GLY  61   2.626  -2.508   8.096
  441   2HA   GLY  61           HAS      GLY  61   3.047  -2.642   6.367
  442    H    CYS  62           HN       CYS  62   2.487   0.481   6.448
  443    HA   CYS  62           HA       CYS  62   5.308   1.091   6.992
  444   1HB   CYS  62           HBS      CYS  62   3.283   1.739   4.948
  445   2HB   CYS  62           HBR      CYS  62   4.325   3.107   5.427
  446    OH   TYR  63           OH       TYR  63  -1.883   6.661  13.175
  447    H    TYR  63           HN       TYR  63   2.065   2.535   7.292
  448    HA   TYR  63           HA       TYR  63   2.753   4.618   9.136
  449   1HB   TYR  63           HBS      TYR  63   0.600   4.581   8.011
  450   2HB   TYR  63           HBR      TYR  63   0.191   3.020   8.775
  451    HD1  TYR  63           HD1      TYR  63   0.670   6.652   9.423
  452    HD2  TYR  63           HD2      TYR  63  -0.639   2.930  11.009
  453    HE1  TYR  63           HE1      TYR  63  -0.431   7.836  11.275
  454    HE2  TYR  63           HE2      TYR  63  -1.763   4.101  12.851
  455    HH   TYR  63           HH       TYR  63  -1.221   7.472  13.469
  456    H    ALA  64           HN       ALA  64   2.559   1.163   9.336
  457    HA   ALA  64           HA       ALA  64   2.464   1.167  12.256
  458   1HB   ALA  64           HMB      ALA  64   2.626  -1.008  10.158
  459   2HB   ALA  64           HMB      ALA  64   2.624  -1.317  11.912
  460   3HB   ALA  64           HMB      ALA  64   1.224  -0.526  11.146
  461    H    LYS  65           HN       LYS  65   4.750   0.095   9.714
  462    HA   LYS  65           HA       LYS  65   6.895  -0.561  11.352
  463   1HB   LYS  65           HBS      LYS  65   6.766  -0.945   8.894
  464   2HB   LYS  65           HBR      LYS  65   7.105   0.792   8.644
  465   1HG   LYS  65           HGR      LYS  65   8.990  -0.881  10.298
  466   2HG   LYS  65           HGS      LYS  65   9.051  -0.973   8.515
  467   1HD   LYS  65           HDS      LYS  65   9.433   1.486  10.223
  468   2HD   LYS  65           HDR      LYS  65  10.662   0.591   9.373
  469   1HE   LYS  65           HES      LYS  65   8.347   1.897   7.957
  470   2HE   LYS  65           HER      LYS  65   9.913   2.699   8.273
  471   1HZ   LYS  65           HZC      LYS  65   9.629   0.164   6.816
  472   2HZ   LYS  65           HZA      LYS  65   9.753   1.624   6.094
  473   3HZ   LYS  65           HZB      LYS  65  10.990   1.049   6.992
  474    H    ASN  66           HN       ASN  66   5.815   2.608  10.228
  475    HA   ASN  66           HA       ASN  66   8.012   3.867  11.721
  476   1HB   ASN  66           HBR      ASN  66   6.795   4.439   9.282
  477   2HB   ASN  66           HBS      ASN  66   6.270   5.737  10.393
  478   1HD2  ASN  66           HD2      ASN  66  10.336   5.230   9.755
  479   2HD2  ASN  66           HD2      ASN  66   9.289   3.851   9.825
  480    H    PHE  67           HN       PHE  67   5.948   2.499  13.143
  481    HA   PHE  67           HA       PHE  67   5.733   4.451  15.183
  482   1HB   PHE  67           HBR      PHE  67   3.324   4.202  13.508
  483   2HB   PHE  67           HBS      PHE  67   3.025   3.830  15.231
  484    HD1  PHE  67           HD1      PHE  67   4.323   5.444  16.847
  485    HD2  PHE  67           HD2      PHE  67   3.091   6.509  12.910
  486    HE1  PHE  67           HE1      PHE  67   4.302   7.805  17.515
  487    HE2  PHE  67           HE2      PHE  67   3.065   8.896  13.557
  488    HZ   PHE  67           HZ       PHE  67   3.615   9.527  15.890
  489    H    GLY  68           HN       GLY  68   6.404   3.206  16.748
  490   1HA   GLY  68           HAR      GLY  68   5.130   1.551  18.383
  491   2HA   GLY  68           HAS      GLY  68   5.402   0.434  17.017
  492    HA   PRO  69           HA       PRO  69   9.512  -0.416  17.706
  493   1HB   PRO  69           HBS      PRO  69  10.852   1.306  15.938
  494   2HB   PRO  69           HBR      PRO  69  10.770  -0.333  15.888
  495   1HG   PRO  69           HGS      PRO  69   9.514   1.309  14.232
  496   2HG   PRO  69           HGR      PRO  69   9.090  -0.288  14.465
  497   1HD   PRO  69           HDS      PRO  69   7.750   2.007  15.336
  498   2HD   PRO  69           HDR      PRO  69   7.187   0.454  15.269
  499    H    LYS  70           HN       LYS  70  11.381  -0.178  18.886
  500    HA   LYS  70           HA       LYS  70  10.934   1.682  20.956
  501   1HB   LYS  70           HBR      LYS  70  13.435   0.085  20.308
  502   2HB   LYS  70           HBS      LYS  70  13.123   0.955  21.838
  503   1HG   LYS  70           HGR      LYS  70  10.871  -0.695  21.431
  504   2HG   LYS  70           HGS      LYS  70  12.288  -1.701  21.016
  505   1HD   LYS  70           HDS      LYS  70  13.233  -0.661  23.258
  506   2HD   LYS  70           HDR      LYS  70  11.540  -0.431  23.601
  507   1HE   LYS  70           HES      LYS  70  12.858  -3.063  22.946
  508   2HE   LYS  70           HER      LYS  70  12.300  -2.499  24.547
  509   1HZ   LYS  70           HZC      LYS  70  10.130  -2.239  23.010
  510   2HZ   LYS  70           HZA      LYS  70  10.797  -3.593  22.388
  511   3HZ   LYS  70           HZB      LYS  70  10.437  -3.517  23.979
  512    H    GLY  71           HN       GLY  71  12.911   2.987  21.833
  513   1HA   GLY  71           HAS      GLY  71  12.929   5.297  20.208
  514   2HA   GLY  71           HAR      GLY  71  13.876   5.069  21.702
  515    H    PHE  72           HN       PHE  72  14.577   6.371  19.143
  516    HA   PHE  72           HA       PHE  72  16.263   4.910  17.591
  517   1HB   PHE  72           HBR      PHE  72  17.433   6.945  16.934
  518   2HB   PHE  72           HBS      PHE  72  15.680   7.259  17.080
  519    HD1  PHE  72           HD2      PHE  72  15.384   7.714  20.028
  520    HD2  PHE  72           HD1      PHE  72  18.397   8.937  17.274
  521    HE1  PHE  72           HE2      PHE  72  15.993   9.580  21.533
  522    HE2  PHE  72           HE1      PHE  72  19.010  10.805  18.742
  523    HZ   PHE  72           HZ       PHE  72  17.851  11.094  20.899
  524    H    GLY  73           HN       GLY  73  18.757   5.567  17.411
  525   1HA   GLY  73           HAR      GLY  73  20.057   4.762  19.969
  526   2HA   GLY  73           HAS      GLY  73  20.792   4.666  18.347
  527    H    PHE  74           HN       PHE  74  21.585   6.529  17.357
  528    HA   PHE  74           HA       PHE  74  21.386   9.138  18.703
  529   1HB   PHE  74           HBR      PHE  74  23.930   9.346  18.659
  530   2HB   PHE  74           HBS      PHE  74  23.231   8.338  19.959
  531    HD1  PHE  74           HD2      PHE  74  22.920   5.692  18.990
  532    HD2  PHE  74           HD1      PHE  74  25.843   8.586  17.878
  533    HE1  PHE  74           HE2      PHE  74  24.407   3.879  18.202
  534    HE2  PHE  74           HE1      PHE  74  27.336   6.806  17.089
  535    HZ   PHE  74           HZ       PHE  74  26.596   4.456  17.193
  536    H    GLY  75           HN       GLY  75  20.473   9.960  16.882
  537   1HA   GLY  75           HAR      GLY  75  21.753   9.462  14.270
  538   2HA   GLY  75           HAS      GLY  75  20.131  10.147  14.559
  539    H    GLN  76           HN       GLN  76  23.299  11.080  15.923
  540    HA   GLN  76           HA       GLN  76  23.988  13.017  14.094
  541   1HB   GLN  76           HBS      GLN  76  23.522  15.088  15.645
  542   2HB   GLN  76           HBR      GLN  76  22.352  14.543  14.410
  543   1HG   GLN  76           HGS      GLN  76  21.577  13.093  16.597
  544   2HG   GLN  76           HGR      GLN  76  22.143  14.612  17.348
  545   1HE2  GLN  76           HE2      GLN  76  19.481  16.572  16.310
  546   2HE2  GLN  76           HE2      GLN  76  21.011  16.463  17.113
  547    H    GLY  77           HN       GLY  77  25.952  12.147  14.520
  548   1HA   GLY  77           HAS      GLY  77  28.094  12.372  15.332
  549   2HA   GLY  77           HAR      GLY  77  27.480  13.665  16.397
  550    H    ALA  78           HN       ALA  78  27.354  13.284  18.508
  551    HA   ALA  78           HA       ALA  78  28.230  10.612  19.413
  552   1HB   ALA  78           HMB      ALA  78  28.377  13.399  20.560
  553   2HB   ALA  78           HMB      ALA  78  28.725  11.946  21.532
  554   3HB   ALA  78           HMB      ALA  78  29.701  12.306  20.084
  555    H    GLY  79           HN       GLY  79  27.227   9.453  20.972
  556   1HA   GLY  79           HAR      GLY  79  24.590  10.449  21.970
  557   2HA   GLY  79           HAS      GLY  79  24.990   8.725  21.754
  558    H    ALA  80           HN       ALA  80  25.838   7.647  23.408
  559    HA   ALA  80           HA       ALA  80  26.571   9.017  25.904
  560   1HB   ALA  80           HMB      ALA  80  26.260   6.164  25.013
  561   2HB   ALA  80           HMB      ALA  80  27.174   6.559  26.491
  562   3HB   ALA  80           HMB      ALA  80  25.465   7.039  26.346
  563    H    LEU  81           HN       LEU  81  28.352  10.223  25.366
  564    HA   LEU  81           HA       LEU  81  30.715   8.747  24.304
  565   1HB   LEU  81           HBS      LEU  81  29.387  10.990  23.305
  566   2HB   LEU  81           HBR      LEU  81  30.834  11.647  24.121
  567    HG   LEU  81           HG       LEU  81  31.219  11.300  21.740
  568   1HD1  LEU  81           HMD      LEU  81  32.917  10.701  23.715
  569   2HD1  LEU  81           HMD      LEU  81  32.789   9.085  22.977
  570   3HD1  LEU  81           HMD      LEU  81  33.331  10.471  21.997
  571   1HD2  LEU  81           HMD      LEU  81  29.551   9.294  21.803
  572   2HD2  LEU  81           HMD      LEU  81  30.931   9.255  20.675
  573   3HD2  LEU  81           HMD      LEU  81  30.999   8.333  22.199
  574    H    ILE  82           HN       ILE  82  32.782   9.482  25.115
  575    HA   ILE  82           HA       ILE  82  32.690  10.302  27.959
  576    HB   ILE  82           HB       ILE  82  34.062   8.299  27.193
  577   1HG1  ILE  82           HG1      ILE  82  36.005  10.223  28.385
  578   2HG1  ILE  82           HG1      ILE  82  34.417  10.088  29.190
  579   1HG2  ILE  82           HMG      ILE  82  34.962   9.873  25.175
  580   2HG2  ILE  82           HMG      ILE  82  36.305  10.008  26.340
  581   3HG2  ILE  82           HMG      ILE  82  35.783   8.404  25.764
  582   1HD1  ILE  82           HMD      ILE  82  35.705   7.512  28.536
  583   2HD1  ILE  82           HMD      ILE  82  36.571   8.515  29.731
  584   3HD1  ILE  82           HMD      ILE  82  34.874   8.047  30.020
  585    H    HIS  83           HN       HIS  83  33.183  12.264  28.601
  586    HA   HIS  83           HA       HIS  83  33.059  14.364  26.769
  587   1HB   HIS  83           HBR      HIS  83  32.487  14.492  29.252
  588   2HB   HIS  83           HBS      HIS  83  34.240  14.673  29.556
  589    HD1  HIS  83           HD1      HIS  83  34.914  17.104  29.739
  590    HD2  HIS  83           HD2      HIS  83  31.657  16.554  27.202
  591    HE1  HIS  83           HE1      HIS  83  34.162  19.393  29.048
  592    HE2  HIS  83           HE2      HIS  83  32.177  19.067  27.530
  593    H    SER  84           HN       SER  84  35.883  13.223  28.648
  594    HA   SER  84           HA       SER  84  37.581  15.205  27.386
  595   1HB   SER  84           HBS      SER  84  39.366  14.052  28.782
  596   2HB   SER  84           HBR      SER  84  38.035  14.867  29.652
  597    HG   SER  84           HG       SER  84  38.756  12.757  30.447
  598    H    GLN  85           HN       GLN  85  39.922  14.273  26.886
  599    HA   GLN  85           HA       GLN  85  41.196  13.325  25.253
  600   1HB   GLN  85           HBR      GLN  85  40.152  11.134  26.220
  601   2HB   GLN  85           HBS      GLN  85  39.199  11.159  24.709
  602   1HG   GLN  85           HGS      GLN  85  41.205   9.780  24.486
  603   2HG   GLN  85           HGR      GLN  85  41.250  11.193  23.393
  604   1HE2  GLN  85           HE2      GLN  85  44.006  10.636  26.357
  605   2HE2  GLN  85           HE2      GLN  85  42.584   9.656  26.236
   
  Start of MODEL          13
 Raw file had  605 H/Q atoms
  Start of MODEL   13
    1   1H    MET   1           HNB      MET   1 -10.489  -5.970 -22.492
    2   2H    MET   1           HNC      MET   1  -9.769  -4.536 -22.190
    3   3H    MET   1           HN       MET   1  -8.859  -5.864 -22.463
    4    HA   MET   1           HA       MET   1  -9.544  -6.901 -20.498
    5   1HB   MET   1           HBS      MET   1  -8.770  -4.020 -19.941
    6   2HB   MET   1           HBR      MET   1  -8.521  -5.432 -18.875
    7   1HG   MET   1           HGS      MET   1  -7.109  -6.449 -20.741
    8   2HG   MET   1           HGR      MET   1  -7.220  -4.872 -21.563
    9   1HE   MET   1           HME      MET   1  -5.769  -7.093 -19.301
   10   2HE   MET   1           HME      MET   1  -4.193  -6.342 -19.656
   11   3HE   MET   1           HME      MET   1  -4.874  -6.249 -18.012
   12    H    ALA   2           HN       ALA   2 -11.247  -3.936 -21.308
   13    HA   ALA   2           HA       ALA   2 -13.677  -4.709 -19.941
   14   1HB   ALA   2           HMB      ALA   2 -11.685  -2.895 -18.613
   15   2HB   ALA   2           HMB      ALA   2 -13.433  -2.630 -18.390
   16   3HB   ALA   2           HMB      ALA   2 -12.701  -4.186 -17.920
   17    H    GLN   3           HN       GLN   3 -15.364  -3.450 -20.529
   18    HA   GLN   3           HA       GLN   3 -15.058  -1.524 -22.665
   19   1HB   GLN   3           HBS      GLN   3 -17.073  -2.896 -22.480
   20   2HB   GLN   3           HBR      GLN   3 -17.471  -2.103 -20.929
   21   1HG   GLN   3           HGS      GLN   3 -17.087   0.015 -22.680
   22   2HG   GLN   3           HGR      GLN   3 -17.918  -1.215 -23.674
   23   1HE2  GLN   3           HE2      GLN   3 -19.945   1.065 -21.101
   24   2HE2  GLN   3           HE2      GLN   3 -18.334   1.366 -21.662
   25    H    LYS   4           HN       LYS   4 -14.971  -1.470 -19.211
   26    HA   LYS   4           HA       LYS   4 -14.376   0.207 -17.751
   27   1HB   LYS   4           HBR      LYS   4 -12.965   0.984 -19.845
   28   2HB   LYS   4           HBS      LYS   4 -14.214   2.260 -19.930
   29   1HG   LYS   4           HGR      LYS   4 -13.435   2.154 -17.223
   30   2HG   LYS   4           HGS      LYS   4 -11.920   2.022 -18.161
   31   1HD   LYS   4           HDS      LYS   4 -12.254   4.056 -19.249
   32   2HD   LYS   4           HDR      LYS   4 -13.950   4.097 -18.850
   33   1HE   LYS   4           HES      LYS   4 -13.135   4.204 -16.380
   34   2HE   LYS   4           HER      LYS   4 -11.603   4.733 -17.131
   35   1HZ   LYS   4           HZA      LYS   4 -14.191   5.990 -17.710
   36   2HZ   LYS   4           HZB      LYS   4 -13.183   6.525 -16.542
   37   3HZ   LYS   4           HZC      LYS   4 -12.704   6.540 -18.103
   38    H    VAL   5           HN       VAL   5 -15.536   1.638 -16.571
   39    HA   VAL   5           HA       VAL   5 -17.429   2.614 -15.777
   40    HB   VAL   5           HB       VAL   5 -18.131   3.279 -18.639
   41   1HG1  VAL   5           HMG      VAL   5 -19.817   3.614 -16.728
   42   2HG1  VAL   5           HMG      VAL   5 -18.752   4.941 -16.206
   43   3HG1  VAL   5           HMG      VAL   5 -19.497   4.981 -17.822
   44   1HG2  VAL   5           HMG      VAL   5 -15.985   4.345 -16.913
   45   2HG2  VAL   5           HMG      VAL   5 -16.146   4.326 -18.686
   46   3HG2  VAL   5           HMG      VAL   5 -17.002   5.558 -17.729
   47    H    GLY   6           HN       GLY   6 -17.278  -0.136 -16.273
   48   1HA   GLY   6           HAS      GLY   6 -19.614  -1.030 -17.744
   49   2HA   GLY   6           HAR      GLY   6 -18.440  -2.049 -16.867
   50    H    GLY   7           HN       GLY   7 -18.530  -1.630 -14.374
   51   1HA   GLY   7           HAS      GLY   7 -21.274  -1.390 -13.318
   52   2HA   GLY   7           HAR      GLY   7 -20.587  -3.034 -13.395
   53    H    SER   8           HN       SER   8 -19.115  -3.673 -11.915
   54    HA   SER   8           HA       SER   8 -19.255  -2.353  -9.437
   55   1HB   SER   8           HBS      SER   8 -17.062  -4.287  -9.678
   56   2HB   SER   8           HBR      SER   8 -18.476  -4.260  -8.586
   57    HG   SER   8           HG       SER   8 -19.754  -4.738 -10.611
   58    H    ASP   9           HN       ASP   9 -16.699  -2.714  -8.327
   59    HA   ASP   9           HA       ASP   9 -15.083  -0.683  -9.759
   60   1HB   ASP   9           HBS      ASP   9 -14.762  -1.225  -6.823
   61   2HB   ASP   9           HBR      ASP   9 -14.167   0.146  -7.804
   62    H    GLY  10           HN       GLY  10 -13.641  -1.649 -10.914
   63   1HA   GLY  10           HAR      GLY  10 -12.823  -4.404 -10.119
   64   2HA   GLY  10           HAS      GLY  10 -13.050  -3.825 -11.788
   65    H    CYS  11           HN       CYS  11 -10.892  -4.862 -11.955
   66    HA   CYS  11           HA       CYS  11  -8.664  -3.379 -10.671
   67   1HB   CYS  11           HBS      CYS  11  -9.755  -5.450  -9.575
   68   2HB   CYS  11           HBR      CYS  11  -8.967  -6.370 -10.886
   69    HA   PRO  12           HA       PRO  12  -6.772  -3.834 -14.714
   70   1HB   PRO  12           HBS      PRO  12  -4.842  -2.100 -13.814
   71   2HB   PRO  12           HBR      PRO  12  -5.954  -1.809 -14.984
   72   1HG   PRO  12           HGS      PRO  12  -5.861  -0.683 -12.546
   73   2HG   PRO  12           HGR      PRO  12  -7.123  -0.549 -13.629
   74   1HD   PRO  12           HDS      PRO  12  -6.975  -2.118 -11.308
   75   2HD   PRO  12           HDR      PRO  12  -8.319  -1.670 -12.162
   76    NH1  ARG  13           NH1      ARG  13  -0.039  -3.824 -12.225
   77    NH2  ARG  13           NH2      ARG  13   1.460  -5.497 -11.745
   78    H    ARG  13           HN       ARG  13  -5.994  -4.597 -11.601
   79    HA   ARG  13           HA       ARG  13  -3.251  -5.321 -12.087
   80   1HB   ARG  13           HBS      ARG  13  -4.489  -4.550  -9.888
   81   2HB   ARG  13           HBR      ARG  13  -4.771  -6.305  -9.695
   82   1HG   ARG  13           HGS      ARG  13  -2.771  -5.519  -8.477
   83   2HG   ARG  13           HGR      ARG  13  -2.379  -6.729  -9.732
   84   1HD   ARG  13           HDS      ARG  13  -2.232  -4.278 -11.032
   85   2HD   ARG  13           HDR      ARG  13  -1.499  -3.990  -9.429
   86    HE   ARG  13           HE       ARG  13  -0.312  -6.306 -10.210
   87   1HH1  ARG  13           HH1      ARG  13  -0.920  -3.376 -12.073
   88   2HH1  ARG  13           HH1      ARG  13   0.595  -3.462 -12.908
   89   1HH2  ARG  13           HH2      ARG  13   1.712  -6.315 -11.229
   90   2HH2  ARG  13           HH2      ARG  13   2.084  -5.127 -12.433
   91    H    CYS  14           HN       CYS  14  -6.125  -7.256 -11.145
   92    HA   CYS  14           HA       CYS  14  -4.614  -9.703 -11.898
   93   1HB   CYS  14           HBS      CYS  14  -6.365 -10.946 -10.721
   94   2HB   CYS  14           HBR      CYS  14  -5.460  -9.817  -9.676
   95    H    GLY  15           HN       GLY  15  -7.176  -7.579 -12.819
   96   1HA   GLY  15           HAS      GLY  15  -8.213  -7.506 -14.901
   97   2HA   GLY  15           HAR      GLY  15  -7.649  -9.166 -15.227
   98    H    GLN  16           HN       GLN  16  -9.155  -8.646 -12.171
   99    HA   GLN  16           HA       GLN  16 -11.722  -9.774 -13.149
  100   1HB   GLN  16           HBR      GLN  16 -10.258 -10.052 -10.629
  101   2HB   GLN  16           HBS      GLN  16 -11.973  -9.596 -10.420
  102   1HG   GLN  16           HGS      GLN  16 -12.536 -11.511 -11.980
  103   2HG   GLN  16           HGR      GLN  16 -10.831 -12.021 -11.825
  104   1HE2  GLN  16           HE2      GLN  16 -13.185 -13.728  -9.383
  105   2HE2  GLN  16           HE2      GLN  16 -13.381 -13.321 -11.054
  106    H    ALA  17           HN       ALA  17 -13.434  -8.828 -11.287
  107    HA   ALA  17           HA       ALA  17 -12.953  -6.167 -10.442
  108   1HB   ALA  17           HMB      ALA  17 -13.456  -5.688 -12.838
  109   2HB   ALA  17           HMB      ALA  17 -15.072  -6.399 -12.599
  110   3HB   ALA  17           HMB      ALA  17 -14.598  -4.941 -11.693
  111    H    VAL  18           HN       VAL  18 -14.504  -5.447  -8.986
  112    HA   VAL  18           HA       VAL  18 -16.291  -7.592  -7.991
  113    HB   VAL  18           HB       VAL  18 -13.839  -6.500  -6.584
  114   1HG1  VAL  18           HMG      VAL  18 -16.163  -8.016  -5.597
  115   2HG1  VAL  18           HMG      VAL  18 -14.576  -8.698  -5.166
  116   3HG1  VAL  18           HMG      VAL  18 -14.973  -7.018  -4.727
  117   1HG2  VAL  18           HMG      VAL  18 -13.282  -8.038  -8.399
  118   2HG2  VAL  18           HMG      VAL  18 -12.920  -8.737  -6.803
  119   3HG2  VAL  18           HMG      VAL  18 -14.366  -9.264  -7.700
  120    OH   TYR  19           OH       TYR  19 -21.300   0.409  -7.489
  121    H    TYR  19           HN       TYR  19 -17.897  -6.973  -6.682
  122    HA   TYR  19           HA       TYR  19 -17.899  -4.146  -5.729
  123   1HB   TYR  19           HBS      TYR  19 -19.836  -5.454  -7.302
  124   2HB   TYR  19           HBR      TYR  19 -20.512  -5.403  -5.650
  125    HD1  TYR  19           HD2      TYR  19 -18.267  -2.888  -7.212
  126    HD2  TYR  19           HD1      TYR  19 -22.245  -3.772  -5.998
  127    HE1  TYR  19           HE2      TYR  19 -18.921  -0.574  -7.702
  128    HE2  TYR  19           HE1      TYR  19 -22.911  -1.454  -6.469
  129    HH   TYR  19           HH       TYR  19 -22.196   0.600  -6.902
  130    H    ALA  20           HN       ALA  20 -17.872  -7.482  -4.956
  131    HA   ALA  20           HA       ALA  20 -18.478  -7.005  -2.095
  132   1HB   ALA  20           HMB      ALA  20 -20.581  -7.364  -3.506
  133   2HB   ALA  20           HMB      ALA  20 -20.001  -9.034  -3.729
  134   3HB   ALA  20           HMB      ALA  20 -20.344  -8.422  -2.092
  135    H    ALA  21           HN       ALA  21 -16.033  -7.668  -3.273
  136    HA   ALA  21           HA       ALA  21 -15.643 -10.031  -1.619
  137   1HB   ALA  21           HMB      ALA  21 -15.610 -10.647  -4.191
  138   2HB   ALA  21           HMB      ALA  21 -13.955  -9.995  -4.085
  139   3HB   ALA  21           HMB      ALA  21 -14.448 -11.349  -3.036
  140    H    GLU  22           HN       GLU  22 -13.438  -8.291  -3.834
  141    HA   GLU  22           HA       GLU  22 -11.886  -7.516  -1.396
  142   1HB   GLU  22           HBR      GLU  22  -9.931  -8.034  -2.893
  143   2HB   GLU  22           HBS      GLU  22 -10.835  -9.271  -2.213
  144   1HG   GLU  22           HGS      GLU  22 -11.899  -8.572  -4.822
  145   2HG   GLU  22           HGR      GLU  22 -10.225  -9.179  -4.947
  146    H    LYS  23           HN       LYS  23 -13.585  -6.216  -3.910
  147    HA   LYS  23           HA       LYS  23 -11.962  -4.334  -5.047
  148   1HB   LYS  23           HBS      LYS  23 -13.995  -2.907  -5.310
  149   2HB   LYS  23           HBR      LYS  23 -14.194  -4.602  -5.838
  150   1HG   LYS  23           HGR      LYS  23 -15.896  -4.931  -4.417
  151   2HG   LYS  23           HGS      LYS  23 -14.970  -4.252  -3.048
  152   1HD   LYS  23           HDS      LYS  23 -16.059  -2.339  -5.040
  153   2HD   LYS  23           HDR      LYS  23 -17.210  -3.180  -4.039
  154   1HE   LYS  23           HES      LYS  23 -16.874  -1.566  -2.554
  155   2HE   LYS  23           HER      LYS  23 -15.360  -2.440  -2.188
  156   1HZ   LYS  23           HZB      LYS  23 -14.268  -1.039  -3.809
  157   2HZ   LYS  23           HZC      LYS  23 -15.652  -0.221  -4.095
  158   3HZ   LYS  23           HZA      LYS  23 -14.942  -0.138  -2.626
  159    H    VAL  24           HN       VAL  24 -10.779  -2.729  -4.337
  160    HA   VAL  24           HA       VAL  24 -11.857  -1.053  -2.130
  161    HB   VAL  24           HB       VAL  24  -9.478  -0.114  -2.065
  162   1HG1  VAL  24           HMG      VAL  24 -10.446  -2.670  -0.892
  163   2HG1  VAL  24           HMG      VAL  24  -8.717  -2.286  -0.710
  164   3HG1  VAL  24           HMG      VAL  24  -9.950  -1.152  -0.108
  165   1HG2  VAL  24           HMG      VAL  24  -9.045  -1.857  -4.162
  166   2HG2  VAL  24           HMG      VAL  24  -7.801  -1.029  -3.195
  167   3HG2  VAL  24           HMG      VAL  24  -8.300  -2.685  -2.773
  168    H    ILE  25           HN       ILE  25 -10.974   1.295  -2.496
  169    HA   ILE  25           HA       ILE  25 -10.450   1.958  -5.288
  170    HB   ILE  25           HB       ILE  25 -12.881   2.148  -5.285
  171   1HG1  ILE  25           HG1      ILE  25 -11.375   4.784  -5.252
  172   2HG1  ILE  25           HG1      ILE  25 -11.700   3.714  -6.644
  173   1HG2  ILE  25           HMG      ILE  25 -13.216   2.453  -2.854
  174   2HG2  ILE  25           HMG      ILE  25 -12.649   4.136  -3.016
  175   3HG2  ILE  25           HMG      ILE  25 -14.137   3.613  -3.849
  176   1HD1  ILE  25           HMD      ILE  25 -14.222   4.233  -5.977
  177   2HD1  ILE  25           HMD      ILE  25 -13.471   5.698  -5.289
  178   3HD1  ILE  25           HMD      ILE  25 -13.271   5.324  -7.022
  179    H    GLY  26           HN       GLY  26  -9.245   3.791  -5.517
  180   1HA   GLY  26           HAR      GLY  26  -8.466   5.394  -3.166
  181   2HA   GLY  26           HAS      GLY  26  -7.263   4.228  -3.777
  182    H    ALA  27           HN       ALA  27  -8.610   7.325  -4.107
  183    HA   ALA  27           HA       ALA  27  -8.015   9.134  -5.374
  184   1HB   ALA  27           HMB      ALA  27  -5.663   7.308  -5.364
  185   2HB   ALA  27           HMB      ALA  27  -5.641   8.681  -6.501
  186   3HB   ALA  27           HMB      ALA  27  -5.842   8.973  -4.755
  187    H    GLY  28           HN       GLY  28  -9.546   6.888  -6.628
  188   1HA   GLY  28           HAS      GLY  28 -10.637   7.412  -8.832
  189   2HA   GLY  28           HAR      GLY  28  -8.986   7.602  -9.479
  190    H    LYS  29           HN       LYS  29  -7.808   5.450  -7.975
  191    HA   LYS  29           HA       LYS  29  -8.254   3.430  -9.942
  192   1HB   LYS  29           HBR      LYS  29  -6.483   3.758  -7.554
  193   2HB   LYS  29           HBS      LYS  29  -6.742   2.110  -8.196
  194   1HG   LYS  29           HGR      LYS  29  -6.141   3.234 -10.501
  195   2HG   LYS  29           HGS      LYS  29  -5.380   4.478  -9.468
  196   1HD   LYS  29           HDS      LYS  29  -3.889   2.946  -8.506
  197   2HD   LYS  29           HDR      LYS  29  -4.797   1.573  -9.073
  198   1HE   LYS  29           HES      LYS  29  -4.174   2.833 -11.429
  199   2HE   LYS  29           HER      LYS  29  -2.734   3.118 -10.412
  200   1HZ   LYS  29           HZA      LYS  29  -3.865   0.449 -10.489
  201   2HZ   LYS  29           HZB      LYS  29  -3.003   0.952 -11.782
  202   3HZ   LYS  29           HZC      LYS  29  -2.312   0.917 -10.303
  203    H    SER  30           HN       SER  30  -8.692   1.176  -9.518
  204    HA   SER  30           HA       SER  30 -10.112   0.592  -6.996
  205   1HB   SER  30           HBS      SER  30 -11.537  -1.015  -8.544
  206   2HB   SER  30           HBR      SER  30 -12.042   0.660  -8.182
  207    HG   SER  30           HG       SER  30 -11.272  -0.650 -10.529
  208    CH2  TRP  31           CH2      TRP  31  -2.999   1.444  -5.998
  209    H    TRP  31           HN       TRP  31  -9.609  -1.315  -6.125
  210    HA   TRP  31           HA       TRP  31  -7.705  -3.044  -7.604
  211   1HB   TRP  31           HBS      TRP  31  -7.049  -2.505  -4.773
  212   2HB   TRP  31           HBR      TRP  31  -5.994  -2.800  -6.183
  213    HD1  TRP  31           HD1      TRP  31  -8.427   0.179  -5.475
  214    HE1  TRP  31           HE1      TRP  31  -7.072   2.359  -5.598
  215    HE3  TRP  31           HE3      TRP  31  -3.798  -1.851  -6.041
  216    HZ2  TRP  31           HZ2      TRP  31  -4.374   3.088  -5.840
  217    HZ3  TRP  31           HZ3      TRP  31  -1.855  -0.354  -6.017
  218    HH2  TRP  31           HH2      TRP  31  -2.132   2.069  -6.038
  219    H    HIS  32           HN       ZHI  32  -7.152  -4.993  -6.150
  220    HA   HIS  32           HA       ZHI  32  -9.332  -5.573  -4.211
  221   1HB   HIS  32           HBS      ZHI  32  -7.677  -7.721  -5.603
  222   2HB   HIS  32           HBR      ZHI  32  -9.009  -7.956  -4.435
  223    HD2  HIS  32           HD2      ZHI  32 -11.561  -6.910  -5.522
  224    HE1  HIS  32           HE1      ZHI  32 -10.402  -7.602  -9.498
  225    HE2  HIS  32           HE2      ZHI  32 -12.213  -6.640  -8.025
  226    H    LYS  33           HN       LYS  33  -8.632  -6.745  -2.320
  227    HA   LYS  33           HA       LYS  33  -6.554  -5.402  -1.063
  228   1HB   LYS  33           HBS      LYS  33  -7.853  -8.045  -0.334
  229   2HB   LYS  33           HBR      LYS  33  -6.727  -7.149   0.723
  230   1HG   LYS  33           HGR      LYS  33  -8.254  -5.311   0.930
  231   2HG   LYS  33           HGS      LYS  33  -9.312  -5.968  -0.351
  232   1HD   LYS  33           HDS      LYS  33  -8.900  -7.837   1.850
  233   2HD   LYS  33           HDR      LYS  33  -9.555  -6.314   2.384
  234   1HE   LYS  33           HES      LYS  33 -11.214  -6.597   0.390
  235   2HE   LYS  33           HER      LYS  33 -10.732  -8.312   0.522
  236   1HZ   LYS  33           HZB      LYS  33 -11.226  -7.513   3.063
  237   2HZ   LYS  33           HZC      LYS  33 -12.419  -6.800   2.205
  238   3HZ   LYS  33           HZA      LYS  33 -12.213  -8.418   2.127
  239    H    SER  34           HN       SER  34  -6.585  -8.790  -2.229
  240    HA   SER  34           HA       SER  34  -3.916  -9.399  -1.676
  241   1HB   SER  34           HBS      SER  34  -4.972 -10.531  -4.186
  242   2HB   SER  34           HBR      SER  34  -4.295 -11.332  -2.739
  243    HG   SER  34           HG       SER  34  -6.600 -11.678  -3.343
  244    H    CYS  35           HN       CYS  35  -5.329  -7.557  -4.307
  245    HA   CYS  35           HA       CYS  35  -2.830  -7.472  -5.851
  246   1HB   CYS  35           HBS      CYS  35  -5.477  -6.047  -6.196
  247   2HB   CYS  35           HBR      CYS  35  -4.062  -5.880  -7.275
  248    H    PHE  36           HN       PHE  36  -4.296  -5.903  -3.195
  249    HA   PHE  36           HA       PHE  36  -3.567  -3.241  -3.684
  250   1HB   PHE  36           HBS      PHE  36  -5.132  -4.317  -1.812
  251   2HB   PHE  36           HBR      PHE  36  -3.640  -4.194  -0.834
  252    HD1  PHE  36           HD2      PHE  36  -2.425  -1.703  -1.235
  253    HD2  PHE  36           HD1      PHE  36  -6.547  -2.624  -1.786
  254    HE1  PHE  36           HE2      PHE  36  -3.022   0.626  -0.633
  255    HE2  PHE  36           HE1      PHE  36  -7.148  -0.284  -1.362
  256    HZ   PHE  36           HZ       PHE  36  -5.378   1.363  -0.880
  257    NH1  ARG  37           NH1      ARG  37   0.712  -3.465  -9.166
  258    NH2  ARG  37           NH2      ARG  37   2.597  -4.739  -9.483
  259    H    ARG  37           HN       ARG  37  -1.572  -2.660  -4.161
  260    HA   ARG  37           HA       ARG  37   0.668  -3.878  -2.632
  261   1HB   ARG  37           HBR      ARG  37   0.619  -2.739  -5.447
  262   2HB   ARG  37           HBS      ARG  37   2.021  -3.482  -4.626
  263   1HG   ARG  37           HGS      ARG  37   1.346  -5.566  -5.108
  264   2HG   ARG  37           HGR      ARG  37  -0.360  -5.210  -4.716
  265   1HD   ARG  37           HDS      ARG  37  -0.520  -5.594  -6.947
  266   2HD   ARG  37           HDR      ARG  37  -0.242  -3.830  -6.937
  267    HE   ARG  37           HE       ARG  37   2.129  -5.555  -7.188
  268   1HH1  ARG  37           HH1      ARG  37  -0.089  -3.218  -8.620
  269   2HH1  ARG  37           HH1      ARG  37   0.844  -3.057 -10.070
  270   1HH2  ARG  37           HH2      ARG  37   3.251  -5.420  -9.153
  271   2HH2  ARG  37           HH2      ARG  37   2.734  -4.304 -10.373
  272    H    CYS  38           HN       CYS  38   1.652  -2.614  -1.271
  273    HA   CYS  38           HA       CYS  38   1.713   0.207  -1.194
  274   1HB   CYS  38           HBS      CYS  38   2.434  -1.467   0.573
  275   2HB   CYS  38           HBR      CYS  38   3.969  -1.594  -0.329
  276    H    ALA  39           HN       ALA  39   2.240   1.443  -2.827
  277    HA   ALA  39           HA       ALA  39   4.625   0.921  -4.414
  278   1HB   ALA  39           HMB      ALA  39   2.234   2.479  -4.624
  279   2HB   ALA  39           HMB      ALA  39   3.645   3.546  -4.835
  280   3HB   ALA  39           HMB      ALA  39   3.456   2.104  -5.865
  281    H    LYS  40           HN       LYS  40   4.884   1.375  -1.487
  282    HA   LYS  40           HA       LYS  40   7.116   3.311  -1.848
  283   1HB   LYS  40           HBS      LYS  40   5.495   3.984  -0.016
  284   2HB   LYS  40           HBR      LYS  40   5.996   2.503   0.849
  285   1HG   LYS  40           HGR      LYS  40   7.808   3.534   1.650
  286   2HG   LYS  40           HGS      LYS  40   8.334   3.975   0.001
  287   1HD   LYS  40           HDS      LYS  40   7.554   6.065   0.130
  288   2HD   LYS  40           HDR      LYS  40   6.128   5.591   1.013
  289   1HE   LYS  40           HES      LYS  40   7.171   6.824   2.610
  290   2HE   LYS  40           HER      LYS  40   7.801   5.194   2.980
  291   1HZ   LYS  40           HZB      LYS  40   9.493   6.240   1.126
  292   2HZ   LYS  40           HZC      LYS  40   9.199   7.487   2.137
  293   3HZ   LYS  40           HZA      LYS  40   9.782   6.080   2.725
  294    H    CYS  41           HN       CYS  41   6.330   0.762   0.535
  295    HA   CYS  41           HA       CYS  41   9.074  -0.048   0.439
  296   1HB   CYS  41           HBS      CYS  41   8.626  -1.493   2.256
  297   2HB   CYS  41           HBR      CYS  41   7.826   0.077   2.515
  298    H    GLY  42           HN       GLY  42   6.369  -0.999  -1.364
  299   1HA   GLY  42           HAR      GLY  42   6.371  -2.323  -3.280
  300   2HA   GLY  42           HAS      GLY  42   8.070  -2.768  -2.964
  301    H    LYS  43           HN       LYS  43   5.912  -2.986  -0.284
  302    HA   LYS  43           HA       LYS  43   5.782  -5.944  -0.461
  303   1HB   LYS  43           HBS      LYS  43   6.164  -4.385   1.712
  304   2HB   LYS  43           HBR      LYS  43   4.381  -4.478   1.711
  305   1HG   LYS  43           HGR      LYS  43   5.559  -7.100   1.266
  306   2HG   LYS  43           HGS      LYS  43   6.194  -6.357   2.762
  307   1HD   LYS  43           HDS      LYS  43   3.408  -5.880   2.718
  308   2HD   LYS  43           HDR      LYS  43   3.636  -7.537   2.230
  309   1HE   LYS  43           HES      LYS  43   4.521  -6.240   4.791
  310   2HE   LYS  43           HER      LYS  43   3.389  -7.600   4.543
  311   1HZ   LYS  43           HZC      LYS  43   5.542  -8.591   3.457
  312   2HZ   LYS  43           HZA      LYS  43   6.276  -7.589   4.518
  313   3HZ   LYS  43           HZB      LYS  43   5.239  -8.730   5.057
  314    H    SER  44           HN       SER  44   4.199  -6.741  -1.619
  315    HA   SER  44           HA       SER  44   1.690  -5.236  -2.047
  316   1HB   SER  44           HBS      SER  44   2.558  -6.329  -4.003
  317   2HB   SER  44           HBR      SER  44   2.661  -7.893  -3.143
  318    HG   SER  44           HG       SER  44   0.237  -6.321  -3.348
  319    H    LEU  45           HN       LEU  45   0.305  -5.305  -0.455
  320    HA   LEU  45           HA       LEU  45   0.083  -7.795   1.177
  321   1HB   LEU  45           HBS      LEU  45  -0.673  -5.756   2.900
  322   2HB   LEU  45           HBR      LEU  45   0.806  -6.682   2.957
  323    HG   LEU  45           HG       LEU  45   1.587  -4.626   1.348
  324   1HD1  LEU  45           HMD      LEU  45  -0.994  -4.143   1.494
  325   2HD1  LEU  45           HMD      LEU  45  -0.540  -3.354   3.029
  326   3HD1  LEU  45           HMD      LEU  45   0.158  -2.784   1.490
  327   1HD2  LEU  45           HMD      LEU  45   1.799  -5.274   4.065
  328   2HD2  LEU  45           HMD      LEU  45   2.700  -3.988   3.225
  329   3HD2  LEU  45           HMD      LEU  45   1.173  -3.606   4.059
  330    H    GLU  46           HN       GLU  46  -1.929  -6.943   2.780
  331    HA   GLU  46           HA       GLU  46  -4.344  -6.504   1.213
  332   1HB   GLU  46           HBS      GLU  46  -3.461  -8.449   0.189
  333   2HB   GLU  46           HBR      GLU  46  -3.171  -9.250   1.634
  334   1HG   GLU  46           HGS      GLU  46  -5.933  -8.499   1.610
  335   2HG   GLU  46           HGR      GLU  46  -5.612  -9.167  -0.014
  336    H    SER  47           HN       SER  47  -6.235  -6.933   2.442
  337    HA   SER  47           HA       SER  47  -7.539  -7.127   4.304
  338   1HB   SER  47           HBR      SER  47  -7.263  -9.076   5.529
  339   2HB   SER  47           HBS      SER  47  -6.485  -9.436   3.962
  340    HG   SER  47           HG       SER  47  -5.356  -8.755   6.538
  341    H    THR  48           HN       THR  48  -5.123  -5.240   4.314
  342    HA   THR  48           HA       THR  48  -5.320  -4.545   7.137
  343    HB   THR  48           HB       THR  48  -2.715  -4.028   7.101
  344    HG1  THR  48           HG1      THR  48  -1.658  -5.417   6.089
  345   1HG2  THR  48           HMG      THR  48  -4.060  -5.818   8.486
  346   2HG2  THR  48           HMG      THR  48  -3.215  -6.961   7.412
  347   3HG2  THR  48           HMG      THR  48  -2.279  -5.841   8.434
  348    H    THR  49           HN       THR  49  -4.410  -2.363   7.518
  349    HA   THR  49           HA       THR  49  -5.886  -0.713   5.834
  350    HB   THR  49           HB       THR  49  -3.737   0.540   7.566
  351    HG1  THR  49           HG1      THR  49  -4.556  -0.016   9.205
  352   1HG2  THR  49           HMG      THR  49  -6.389   1.249   6.593
  353   2HG2  THR  49           HMG      THR  49  -6.228   1.470   8.353
  354   3HG2  THR  49           HMG      THR  49  -5.091   2.281   7.247
  355    H    LEU  50           HN       LEU  50  -5.068   1.385   4.887
  356    HA   LEU  50           HA       LEU  50  -2.474   1.141   3.482
  357   1HB   LEU  50           HBS      LEU  50  -3.863   1.471   1.337
  358   2HB   LEU  50           HBR      LEU  50  -3.754  -0.154   2.073
  359    HG   LEU  50           HG       LEU  50  -6.053   0.865   3.193
  360   1HD1  LEU  50           HMD      LEU  50  -5.493   2.426   0.869
  361   2HD1  LEU  50           HMD      LEU  50  -6.858   1.343   0.497
  362   3HD1  LEU  50           HMD      LEU  50  -6.946   2.440   1.899
  363   1HD2  LEU  50           HMD      LEU  50  -5.201  -1.084   1.179
  364   2HD2  LEU  50           HMD      LEU  50  -6.388  -1.240   2.499
  365   3HD2  LEU  50           HMD      LEU  50  -6.876  -0.523   0.942
  366    H    ALA  51           HN       ALA  51  -2.820   3.032   1.587
  367    HA   ALA  51           HA       ALA  51  -4.259   5.401   2.446
  368   1HB   ALA  51           HMB      ALA  51  -1.658   4.877   3.545
  369   2HB   ALA  51           HMB      ALA  51  -1.578   6.287   2.458
  370   3HB   ALA  51           HMB      ALA  51  -2.746   6.265   3.805
  371    H    ASP  52           HN       ASP  52  -5.025   5.523   0.401
  372    HA   ASP  52           HA       ASP  52  -3.183   5.489  -1.850
  373   1HB   ASP  52           HBS      ASP  52  -5.140   5.684  -3.247
  374   2HB   ASP  52           HBR      ASP  52  -5.301   4.364  -2.053
  375    H    LYS  53           HN       LYS  53  -2.341   7.109  -2.904
  376    HA   LYS  53           HA       LYS  53  -3.723   9.646  -3.062
  377   1HB   LYS  53           HBR      LYS  53  -0.875   9.700  -2.027
  378   2HB   LYS  53           HBS      LYS  53  -1.952  11.086  -2.356
  379   1HG   LYS  53           HGR      LYS  53  -3.437  10.361  -0.520
  380   2HG   LYS  53           HGS      LYS  53  -2.344   8.987  -0.185
  381   1HD   LYS  53           HDS      LYS  53  -0.515  10.772   0.094
  382   2HD   LYS  53           HDR      LYS  53  -1.825  11.919   0.166
  383   1HE   LYS  53           HES      LYS  53  -2.385  11.384   2.249
  384   2HE   LYS  53           HER      LYS  53  -2.259   9.635   1.911
  385   1HZ   LYS  53           HZA      LYS  53   0.142  11.272   2.184
  386   2HZ   LYS  53           HZB      LYS  53  -0.618  10.695   3.511
  387   3HZ   LYS  53           HZC      LYS  53  -0.032   9.661   2.390
  388    H    ASP  54           HN       ASP  54  -3.131  10.803  -4.863
  389    HA   ASP  54           HA       ASP  54  -2.257  11.234  -6.907
  390   1HB   ASP  54           HBR      ASP  54   0.114  10.412  -5.280
  391   2HB   ASP  54           HBS      ASP  54   0.293  10.829  -7.010
  392    H    GLY  55           HN       GLY  55  -3.511   8.658  -6.513
  393   1HA   GLY  55           HAR      GLY  55  -4.114   7.232  -8.316
  394   2HA   GLY  55           HAS      GLY  55  -2.482   7.435  -9.008
  395    H    GLU  56           HN       GLU  56  -1.341   7.067  -6.216
  396    HA   GLU  56           HA       GLU  56  -1.444   4.076  -6.238
  397   1HB   GLU  56           HBR      GLU  56   0.847   6.003  -5.780
  398   2HB   GLU  56           HBS      GLU  56   0.903   4.353  -5.477
  399   1HG   GLU  56           HGS      GLU  56   0.032   5.155  -8.198
  400   2HG   GLU  56           HGR      GLU  56   1.782   5.234  -7.856
  401    H    ILE  57           HN       ILE  57   0.090   3.555  -4.083
  402    HA   ILE  57           HA       ILE  57  -1.654   4.487  -1.859
  403    HB   ILE  57           HB       ILE  57  -2.153   2.069  -1.420
  404   1HG1  ILE  57           HG1      ILE  57  -0.767   1.633  -4.095
  405   2HG1  ILE  57           HG1      ILE  57  -0.155   1.139  -2.490
  406   1HG2  ILE  57           HMG      ILE  57  -3.038   3.440  -3.913
  407   2HG2  ILE  57           HMG      ILE  57  -3.512   1.737  -3.670
  408   3HG2  ILE  57           HMG      ILE  57  -3.963   2.969  -2.463
  409   1HD1  ILE  57           HMD      ILE  57  -2.842   0.122  -3.243
  410   2HD1  ILE  57           HMD      ILE  57  -1.457  -0.516  -4.170
  411   3HD1  ILE  57           HMD      ILE  57  -1.495  -0.682  -2.395
  412    OH   TYR  58           OH       TYR  58   5.850   4.847   4.858
  413    H    TYR  58           HN       TYR  58  -1.071   3.247   0.195
  414    HA   TYR  58           HA       TYR  58   1.697   2.323   0.494
  415   1HB   TYR  58           HBR      TYR  58   1.942   4.773   0.324
  416   2HB   TYR  58           HBS      TYR  58   0.716   4.992   1.605
  417    HD1  TYR  58           HD2      TYR  58   4.069   3.478   0.972
  418    HD2  TYR  58           HD1      TYR  58   1.463   5.310   3.789
  419    HE1  TYR  58           HE2      TYR  58   5.951   3.753   2.522
  420    HE2  TYR  58           HE1      TYR  58   3.338   5.585   5.353
  421    HH   TYR  58           HH       TYR  58   6.360   3.897   4.715
  422    H    CYS  59           HN       CYS  59   2.074   1.409   2.506
  423    HA   CYS  59           HA       CYS  59  -0.455   0.118   3.007
  424   1HB   CYS  59           HBR      CYS  59   0.690  -1.845   3.389
  425   2HB   CYS  59           HBS      CYS  59   1.474  -1.017   2.024
  426    H    LYS  60           HN       LYS  60  -0.721  -1.194   5.064
  427    HA   LYS  60           HA       LYS  60  -0.592   0.605   7.399
  428   1HB   LYS  60           HBS      LYS  60  -2.593  -0.808   7.028
  429   2HB   LYS  60           HBR      LYS  60  -1.568  -2.263   7.175
  430   1HG   LYS  60           HGR      LYS  60  -1.005  -0.791   9.486
  431   2HG   LYS  60           HGS      LYS  60  -2.765  -0.588   9.252
  432   1HD   LYS  60           HDS      LYS  60  -3.161  -2.904   9.295
  433   2HD   LYS  60           HDR      LYS  60  -1.472  -3.280   9.090
  434   1HE   LYS  60           HES      LYS  60  -1.506  -3.647  11.291
  435   2HE   LYS  60           HER      LYS  60  -1.334  -1.871  11.377
  436   1HZ   LYS  60           HZC      LYS  60  -3.742  -1.750  11.502
  437   2HZ   LYS  60           HZA      LYS  60  -3.853  -3.379  11.513
  438   3HZ   LYS  60           HZB      LYS  60  -3.121  -2.603  12.750
  439    H    GLY  61           HN       GLY  61   1.143  -1.984   5.885
  440   1HA   GLY  61           HAR      GLY  61   2.819  -2.815   8.010
  441   2HA   GLY  61           HAS      GLY  61   3.240  -2.822   6.278
  442    H    CYS  62           HN       CYS  62   2.481   0.245   6.523
  443    HA   CYS  62           HA       CYS  62   5.281   0.993   7.084
  444   1HB   CYS  62           HBS      CYS  62   3.263   1.599   5.005
  445   2HB   CYS  62           HBR      CYS  62   4.289   2.967   5.517
  446    OH   TYR  63           OH       TYR  63  -2.055   7.753  11.813
  447    H    TYR  63           HN       TYR  63   1.995   2.398   7.161
  448    HA   TYR  63           HA       TYR  63   2.483   4.450   9.048
  449   1HB   TYR  63           HBS      TYR  63   0.388   4.039   7.653
  450   2HB   TYR  63           HBR      TYR  63  -0.061   2.808   8.869
  451    HD1  TYR  63           HD1      TYR  63   0.909   6.440   8.638
  452    HD2  TYR  63           HD2      TYR  63  -1.396   3.473  10.632
  453    HE1  TYR  63           HE1      TYR  63  -0.134   8.185  10.018
  454    HE2  TYR  63           HE2      TYR  63  -2.460   5.208  12.002
  455    HH   TYR  63           HH       TYR  63  -2.506   8.386  11.051
  456    H    ALA  64           HN       ALA  64   2.528   1.029   9.348
  457    HA   ALA  64           HA       ALA  64   2.568   1.182  12.302
  458   1HB   ALA  64           HMB      ALA  64   2.670  -1.065  10.293
  459   2HB   ALA  64           HMB      ALA  64   3.091  -1.305  12.009
  460   3HB   ALA  64           HMB      ALA  64   1.462  -0.736  11.563
  461    H    LYS  65           HN       LYS  65   4.689  -0.345   9.849
  462    HA   LYS  65           HA       LYS  65   6.781  -0.724  11.633
  463   1HB   LYS  65           HBS      LYS  65   6.548  -1.909   9.486
  464   2HB   LYS  65           HBR      LYS  65   7.001  -0.414   8.620
  465   1HG   LYS  65           HGR      LYS  65   9.142  -1.038   8.759
  466   2HG   LYS  65           HGS      LYS  65   9.040  -0.873  10.535
  467   1HD   LYS  65           HDS      LYS  65   7.952  -3.383   9.451
  468   2HD   LYS  65           HDR      LYS  65   9.653  -3.143   9.163
  469   1HE   LYS  65           HES      LYS  65  10.083  -3.850  11.203
  470   2HE   LYS  65           HER      LYS  65   9.261  -2.390  11.824
  471   1HZ   LYS  65           HZC      LYS  65   7.862  -4.879  11.138
  472   2HZ   LYS  65           HZA      LYS  65   8.366  -4.511  12.648
  473   3HZ   LYS  65           HZB      LYS  65   7.246  -3.579  11.910
  474    H    ASN  66           HN       ASN  66   6.044   2.051   9.607
  475    HA   ASN  66           HA       ASN  66   8.624   3.112   9.417
  476   1HB   ASN  66           HBR      ASN  66   6.677   3.697   7.997
  477   2HB   ASN  66           HBS      ASN  66   6.073   4.717   9.334
  478   1HD2  ASN  66           HD2      ASN  66   7.727   7.295   7.565
  479   2HD2  ASN  66           HD2      ASN  66   6.205   6.545   7.910
  480    H    PHE  67           HN       PHE  67   6.536   2.968  12.096
  481    HA   PHE  67           HA       PHE  67   6.998   5.406  13.343
  482   1HB   PHE  67           HBS      PHE  67   5.447   3.310  14.016
  483   2HB   PHE  67           HBR      PHE  67   6.796   3.033  15.157
  484    HD1  PHE  67           HD2      PHE  67   4.939   6.127  13.949
  485    HD2  PHE  67           HD1      PHE  67   6.342   3.747  17.193
  486    HE1  PHE  67           HE2      PHE  67   4.117   7.829  15.545
  487    HE2  PHE  67           HE1      PHE  67   5.539   5.422  18.797
  488    HZ   PHE  67           HZ       PHE  67   4.482   7.492  17.974
  489    H    GLY  68           HN       GLY  68   9.020   6.180  13.384
  490   1HA   GLY  68           HAS      GLY  68  10.634   6.111  15.515
  491   2HA   GLY  68           HAR      GLY  68  11.186   4.641  14.665
  492    HA   PRO  69           HA       PRO  69  13.322   8.566  13.121
  493   1HB   PRO  69           HBR      PRO  69  15.766   7.624  13.787
  494   2HB   PRO  69           HBS      PRO  69  14.970   8.842  14.549
  495   1HG   PRO  69           HGS      PRO  69  15.342   6.215  15.405
  496   2HG   PRO  69           HGR      PRO  69  14.944   7.557  16.314
  497   1HD   PRO  69           HDS      PRO  69  13.239   5.607  15.655
  498   2HD   PRO  69           HDR      PRO  69  12.795   7.113  16.177
  499    H    LYS  70           HN       LYS  70  14.383   8.873  11.227
  500    HA   LYS  70           HA       LYS  70  14.839   6.363   9.684
  501   1HB   LYS  70           HBS      LYS  70  14.509   9.226   8.728
  502   2HB   LYS  70           HBR      LYS  70  14.902   7.821   7.697
  503   1HG   LYS  70           HGR      LYS  70  12.754   6.806   8.171
  504   2HG   LYS  70           HGS      LYS  70  12.370   8.079   9.364
  505   1HD   LYS  70           HDS      LYS  70  11.251   9.020   7.700
  506   2HD   LYS  70           HDR      LYS  70  12.825   9.628   7.264
  507   1HE   LYS  70           HES      LYS  70  12.466   7.021   6.110
  508   2HE   LYS  70           HER      LYS  70  11.101   8.097   5.698
  509   1HZ   LYS  70           HZA      LYS  70  13.941   8.760   5.332
  510   2HZ   LYS  70           HZB      LYS  70  12.930   8.275   4.145
  511   3HZ   LYS  70           HZC      LYS  70  12.673   9.696   4.907
  512    H    GLY  71           HN       GLY  71  16.846   5.743  10.163
  513   1HA   GLY  71           HAS      GLY  71  18.979   7.417   9.049
  514   2HA   GLY  71           HAR      GLY  71  19.211   6.930  10.750
  515    H    PHE  72           HN       PHE  72  19.481   4.747  11.272
  516    HA   PHE  72           HA       PHE  72  20.544   2.994   9.204
  517   1HB   PHE  72           HBS      PHE  72  19.746   1.949  11.913
  518   2HB   PHE  72           HBR      PHE  72  21.124   1.504  10.865
  519    HD1  PHE  72           HD2      PHE  72  23.007   3.385  10.615
  520    HD2  PHE  72           HD1      PHE  72  19.995   3.356  13.630
  521    HE1  PHE  72           HE2      PHE  72  24.413   4.852  12.025
  522    HE2  PHE  72           HE1      PHE  72  21.371   4.807  15.049
  523    HZ   PHE  72           HZ       PHE  72  23.607   5.508  14.276
  524    H    GLY  73           HN       GLY  73  19.562   1.385   8.179
  525   1HA   GLY  73           HAS      GLY  73  16.643   1.074   8.598
  526   2HA   GLY  73           HAR      GLY  73  17.554   0.696   7.110
  527    H    PHE  74           HN       PHE  74  18.922  -0.273  10.146
  528    HA   PHE  74           HA       PHE  74  18.466  -3.081   9.449
  529   1HB   PHE  74           HBS      PHE  74  20.112  -2.162  11.819
  530   2HB   PHE  74           HBR      PHE  74  20.259  -3.650  10.839
  531    HD1  PHE  74           HD1      PHE  74  20.676  -3.228   8.326
  532    HD2  PHE  74           HD2      PHE  74  21.700  -0.420  11.363
  533    HE1  PHE  74           HE1      PHE  74  22.379  -2.274   6.840
  534    HE2  PHE  74           HE2      PHE  74  23.422   0.562   9.883
  535    HZ   PHE  74           HZ       PHE  74  23.796  -0.419   7.638
  536    H    GLY  75           HN       GLY  75  17.383  -0.720  11.743
  537   1HA   GLY  75           HAR      GLY  75  15.972  -0.806  13.568
  538   2HA   GLY  75           HAS      GLY  75  15.469  -2.437  13.051
  539    H    GLN  76           HN       GLN  76  18.589  -0.977  14.052
  540    HA   GLN  76           HA       GLN  76  20.236  -1.706  15.446
  541   1HB   GLN  76           HBR      GLN  76  19.599  -2.104  17.674
  542   2HB   GLN  76           HBS      GLN  76  18.453  -0.919  16.988
  543   1HG   GLN  76           HGS      GLN  76  17.641  -3.771  16.852
  544   2HG   GLN  76           HGR      GLN  76  17.725  -3.044  18.481
  545   1HE2  GLN  76           HE2      GLN  76  15.328  -0.409  17.460
  546   2HE2  GLN  76           HE2      GLN  76  16.993  -0.442  17.935
  547    H    GLY  77           HN       GLY  77  20.688  -3.682  17.137
  548   1HA   GLY  77           HAR      GLY  77  20.751  -6.029  15.293
  549   2HA   GLY  77           HAS      GLY  77  22.100  -5.504  16.336
  550    H    ALA  78           HN       ALA  78  21.516  -8.040  16.584
  551    HA   ALA  78           HA       ALA  78  19.621  -8.745  18.636
  552   1HB   ALA  78           HMB      ALA  78  21.289 -10.118  16.965
  553   2HB   ALA  78           HMB      ALA  78  22.151 -10.241  18.521
  554   3HB   ALA  78           HMB      ALA  78  20.464 -10.799  18.391
  555    H    GLY  79           HN       GLY  79  22.567  -6.977  18.556
  556   1HA   GLY  79           HAS      GLY  79  23.366  -5.577  20.218
  557   2HA   GLY  79           HAR      GLY  79  22.191  -6.299  21.350
  558    H    ALA  80           HN       ALA  80  25.261  -6.942  19.645
  559    HA   ALA  80           HA       ALA  80  26.674  -7.418  22.004
  560   1HB   ALA  80           HMB      ALA  80  25.395  -9.495  22.170
  561   2HB   ALA  80           HMB      ALA  80  25.970  -9.987  20.556
  562   3HB   ALA  80           HMB      ALA  80  27.128  -9.810  21.899
  563    H    LEU  81           HN       LEU  81  26.938  -9.452  19.103
  564    HA   LEU  81           HA       LEU  81  29.689  -8.534  18.817
  565   1HB   LEU  81           HBR      LEU  81  28.329 -10.583  17.088
  566   2HB   LEU  81           HBS      LEU  81  30.020 -10.506  17.662
  567    HG   LEU  81           HG       LEU  81  27.577 -11.276  19.280
  568   1HD1  LEU  81           HMD      LEU  81  28.566 -12.924  17.599
  569   2HD1  LEU  81           HMD      LEU  81  30.029 -12.918  18.616
  570   3HD1  LEU  81           HMD      LEU  81  28.474 -13.464  19.295
  571   1HD2  LEU  81           HMD      LEU  81  29.798  -9.971  20.186
  572   2HD2  LEU  81           HMD      LEU  81  28.821 -11.104  21.154
  573   3HD2  LEU  81           HMD      LEU  81  30.303 -11.672  20.344
  574    H    ILE  82           HN       ILE  82  29.927  -9.148  16.028
  575    HA   ILE  82           HA       ILE  82  28.740  -6.661  14.895
  576    HB   ILE  82           HB       ILE  82  31.616  -7.622  14.526
  577   1HG1  ILE  82           HG1      ILE  82  30.962  -7.030  16.910
  578   2HG1  ILE  82           HG1      ILE  82  32.353  -6.151  16.214
  579   1HG2  ILE  82           HMG      ILE  82  30.062  -5.641  13.198
  580   2HG2  ILE  82           HMG      ILE  82  31.323  -4.820  14.154
  581   3HG2  ILE  82           HMG      ILE  82  31.777  -6.069  12.965
  582   1HD1  ILE  82           HMD      ILE  82  29.801  -4.769  15.815
  583   2HD1  ILE  82           HMD      ILE  82  30.210  -5.021  17.533
  584   3HD1  ILE  82           HMD      ILE  82  31.351  -4.168  16.459
  585    H    HIS  83           HN       HIS  83  27.566  -9.101  14.455
  586    HA   HIS  83           HA       HIS  83  28.214  -9.506  11.576
  587   1HB   HIS  83           HBR      HIS  83  27.564 -11.505  13.620
  588   2HB   HIS  83           HBS      HIS  83  26.416 -11.538  12.251
  589    HD1  HIS  83           HD1      HIS  83  30.245 -11.010  12.275
  590    HD2  HIS  83           HD2      HIS  83  27.320 -13.487  10.641
  591    HE1  HIS  83           HE1      HIS  83  31.448 -12.665  10.826
  592    HE2  HIS  83           HE2      HIS  83  29.685 -14.179   9.852
  593    H    SER  84           HN       SER  84  26.583  -7.501  13.224
  594    HA   SER  84           HA       SER  84  23.857  -8.046  12.928
  595   1HB   SER  84           HBS      SER  84  25.481  -5.863  13.814
  596   2HB   SER  84           HBR      SER  84  24.177  -5.237  12.763
  597    HG   SER  84           HG       SER  84  24.156  -5.987  15.337
  598    H    GLN  85           HN       GLN  85  22.640  -8.273  11.232
  599    HA   GLN  85           HA       GLN  85  22.332  -6.242   9.337
  600   1HB   GLN  85           HBR      GLN  85  24.485  -7.253   8.442
  601   2HB   GLN  85           HBS      GLN  85  23.501  -8.675   7.992
  602   1HG   GLN  85           HGS      GLN  85  22.010  -7.096   6.709
  603   2HG   GLN  85           HGR      GLN  85  23.236  -5.829   6.998
  604   1HE2  GLN  85           HE2      GLN  85  24.412  -6.757   3.837
  605   2HE2  GLN  85           HE2      GLN  85  23.511  -5.604   4.765
   
  Start of MODEL          14
 Raw file had  605 H/Q atoms
  Start of MODEL   14
    1   1H    MET   1           HNB      MET   1 -14.885  -9.527 -21.342
    2   2H    MET   1           HN       MET   1 -15.839  -8.219 -21.558
    3   3H    MET   1           HNC      MET   1 -14.316  -8.224 -22.146
    4    HA   MET   1           HA       MET   1 -13.373  -8.288 -19.997
    5   1HB   MET   1           HBS      MET   1 -14.009  -6.116 -21.148
    6   2HB   MET   1           HBR      MET   1 -15.464  -6.097 -20.121
    7   1HG   MET   1           HGS      MET   1 -13.930  -4.789 -18.889
    8   2HG   MET   1           HGR      MET   1 -13.831  -6.394 -18.130
    9   1HE   MET   1           HME      MET   1 -11.676  -6.500 -17.164
   10   2HE   MET   1           HME      MET   1 -10.101  -6.047 -17.862
   11   3HE   MET   1           HME      MET   1 -11.286  -4.784 -17.441
   12    H    ALA   2           HN       ALA   2 -16.709  -7.186 -19.407
   13    HA   ALA   2           HA       ALA   2 -17.619  -9.442 -18.069
   14   1HB   ALA   2           HMB      ALA   2 -15.705  -8.413 -16.483
   15   2HB   ALA   2           HMB      ALA   2 -17.113  -7.491 -15.897
   16   3HB   ALA   2           HMB      ALA   2 -17.144  -9.272 -15.875
   17    H    GLN   3           HN       GLN   3 -17.580  -5.878 -17.759
   18    HA   GLN   3           HA       GLN   3 -19.176  -4.309 -18.036
   19   1HB   GLN   3           HBS      GLN   3 -20.967  -4.983 -19.838
   20   2HB   GLN   3           HBR      GLN   3 -19.283  -4.554 -20.245
   21   1HG   GLN   3           HGS      GLN   3 -18.791  -7.052 -20.215
   22   2HG   GLN   3           HGR      GLN   3 -20.560  -7.294 -20.168
   23   1HE2  GLN   3           HE2      GLN   3 -21.134  -6.648 -23.516
   24   2HE2  GLN   3           HE2      GLN   3 -21.814  -6.831 -21.934
   25    H    LYS   4           HN       LYS   4 -21.595  -6.733 -18.807
   26    HA   LYS   4           HA       LYS   4 -23.539  -7.362 -17.760
   27   1HB   LYS   4           HBS      LYS   4 -21.638  -7.279 -15.619
   28   2HB   LYS   4           HBR      LYS   4 -23.168  -6.549 -15.058
   29   1HG   LYS   4           HGR      LYS   4 -23.222  -9.175 -16.535
   30   2HG   LYS   4           HGS      LYS   4 -22.754  -9.137 -14.811
   31   1HD   LYS   4           HDS      LYS   4 -24.867  -7.921 -14.321
   32   2HD   LYS   4           HDR      LYS   4 -25.324  -8.112 -15.991
   33   1HE   LYS   4           HES      LYS   4 -25.827 -10.302 -15.797
   34   2HE   LYS   4           HER      LYS   4 -24.549 -10.583 -14.581
   35   1HZ   LYS   4           HZB      LYS   4 -26.056  -9.186 -13.108
   36   2HZ   LYS   4           HZC      LYS   4 -27.237  -9.517 -14.187
   37   3HZ   LYS   4           HZA      LYS   4 -26.487 -10.735 -13.397
   38    H    VAL   5           HN       VAL   5 -25.042  -6.292 -15.806
   39    HA   VAL   5           HA       VAL   5 -25.253  -3.401 -16.469
   40    HB   VAL   5           HB       VAL   5 -27.225  -4.792 -16.983
   41   1HG1  VAL   5           HMG      VAL   5 -27.379  -5.227 -13.990
   42   2HG1  VAL   5           HMG      VAL   5 -28.679  -5.589 -15.150
   43   3HG1  VAL   5           HMG      VAL   5 -27.132  -6.465 -15.244
   44   1HG2  VAL   5           HMG      VAL   5 -27.116  -2.330 -15.574
   45   2HG2  VAL   5           HMG      VAL   5 -28.341  -2.903 -16.733
   46   3HG2  VAL   5           HMG      VAL   5 -28.539  -3.231 -14.994
   47    H    GLY   6           HN       GLY   6 -24.446  -5.734 -14.084
   48   1HA   GLY   6           HAR      GLY   6 -23.024  -3.902 -12.558
   49   2HA   GLY   6           HAS      GLY   6 -24.591  -4.075 -11.724
   50    H    GLY   7           HN       GLY   7 -21.499  -5.374 -12.200
   51   1HA   GLY   7           HAR      GLY   7 -22.299  -8.109 -11.325
   52   2HA   GLY   7           HAS      GLY   7 -20.854  -7.697 -12.287
   53    H    SER   8           HN       SER   8 -22.277  -6.440  -9.241
   54    HA   SER   8           HA       SER   8 -21.388  -6.036  -7.181
   55   1HB   SER   8           HBR      SER   8 -18.949  -7.636  -7.372
   56   2HB   SER   8           HBS      SER   8 -20.290  -7.681  -6.192
   57    HG   SER   8           HG       SER   8 -21.594  -8.830  -7.626
   58    H    ASP   9           HN       ASP   9 -18.309  -6.756  -8.805
   59    HA   ASP   9           HA       ASP   9 -17.927  -4.275  -9.960
   60   1HB   ASP   9           HBR      ASP   9 -17.546  -4.058  -7.179
   61   2HB   ASP   9           HBS      ASP   9 -15.932  -3.968  -7.942
   62    H    GLY  10           HN       GLY  10 -15.255  -3.911  -9.995
   63   1HA   GLY  10           HAS      GLY  10 -14.051  -6.513 -10.762
   64   2HA   GLY  10           HAR      GLY  10 -14.434  -5.337 -12.047
   65    H    CYS  11           HN       CYS  11 -11.873  -6.141 -11.746
   66    HA   CYS  11           HA       CYS  11 -10.491  -4.009 -10.210
   67   1HB   CYS  11           HBS      CYS  11 -10.369  -6.465  -9.525
   68   2HB   CYS  11           HBR      CYS  11  -9.413  -6.709 -11.013
   69    HA   PRO  12           HA       PRO  12  -8.833  -2.629 -14.109
   70   1HB   PRO  12           HBR      PRO  12  -7.781  -0.549 -12.569
   71   2HB   PRO  12           HBS      PRO  12  -8.815  -0.447 -13.840
   72   1HG   PRO  12           HGS      PRO  12  -9.471   0.011 -11.314
   73   2HG   PRO  12           HGR      PRO  12 -10.563  -0.276 -12.542
   74   1HD   PRO  12           HDS      PRO  12  -9.786  -1.990 -10.462
   75   2HD   PRO  12           HDR      PRO  12 -11.115  -2.099 -11.440
   76    NH1  ARG  13           NH1      ARG  13  -2.099  -0.371 -11.403
   77    NH2  ARG  13           NH2      ARG  13  -0.234  -0.860 -10.155
   78    H    ARG  13           HN       ARG  13  -7.515  -3.757 -11.301
   79    HA   ARG  13           HA       ARG  13  -4.762  -3.116 -11.963
   80   1HB   ARG  13           HBR      ARG  13  -6.018  -3.448  -9.618
   81   2HB   ARG  13           HBS      ARG  13  -5.402  -5.111  -9.842
   82   1HG   ARG  13           HGS      ARG  13  -3.854  -3.797  -8.501
   83   2HG   ARG  13           HGR      ARG  13  -3.116  -4.222 -10.072
   84   1HD   ARG  13           HDS      ARG  13  -3.861  -1.974 -10.900
   85   2HD   ARG  13           HDR      ARG  13  -4.287  -1.582  -9.209
   86    HE   ARG  13           HE       ARG  13  -1.815  -2.162  -8.756
   87   1HH1  ARG  13           HH1      ARG  13  -3.078  -0.472 -11.582
   88   2HH1  ARG  13           HH1      ARG  13  -1.545   0.225 -11.984
   89   1HH2  ARG  13           HH2      ARG  13   0.199  -1.334  -9.388
   90   2HH2  ARG  13           HH2      ARG  13   0.309  -0.259 -10.742
   91    H    CYS  14           HN       CYS  14  -6.424  -6.227 -11.289
   92    HA   CYS  14           HA       CYS  14  -4.164  -7.604 -12.621
   93   1HB   CYS  14           HBR      CYS  14  -5.078  -9.652 -11.631
   94   2HB   CYS  14           HBS      CYS  14  -4.615  -8.415 -10.431
   95    H    GLY  15           HN       GLY  15  -7.421  -6.640 -13.099
   96   1HA   GLY  15           HAR      GLY  15  -8.578  -6.647 -15.148
   97   2HA   GLY  15           HAS      GLY  15  -7.384  -7.795 -15.809
   98    H    GLN  16           HN       GLN  16  -8.574  -8.506 -12.655
   99    HA   GLN  16           HA       GLN  16 -10.523 -10.467 -13.741
  100   1HB   GLN  16           HBR      GLN  16  -8.655 -10.663 -11.577
  101   2HB   GLN  16           HBS      GLN  16 -10.320 -10.759 -10.937
  102   1HG   GLN  16           HGS      GLN  16 -10.816 -12.541 -12.576
  103   2HG   GLN  16           HGR      GLN  16  -9.117 -12.476 -13.126
  104   1HE2  GLN  16           HE2      GLN  16 -10.044 -13.991  -9.396
  105   2HE2  GLN  16           HE2      GLN  16 -11.080 -12.837 -10.166
  106    H    ALA  17           HN       ALA  17 -12.627 -10.392 -13.133
  107    HA   ALA  17           HA       ALA  17 -13.489  -7.857 -11.818
  108   1HB   ALA  17           HMB      ALA  17 -14.916  -9.616 -13.831
  109   2HB   ALA  17           HMB      ALA  17 -15.670  -8.268 -12.941
  110   3HB   ALA  17           HMB      ALA  17 -14.324  -7.951 -14.065
  111    H    VAL  18           HN       VAL  18 -14.940  -7.971 -10.164
  112    HA   VAL  18           HA       VAL  18 -14.769 -10.571  -8.779
  113    HB   VAL  18           HB       VAL  18 -15.282  -7.909  -7.469
  114   1HG1  VAL  18           HMG      VAL  18 -14.701 -10.621  -6.568
  115   2HG1  VAL  18           HMG      VAL  18 -13.605  -9.407  -5.864
  116   3HG1  VAL  18           HMG      VAL  18 -15.366  -9.227  -5.683
  117   1HG2  VAL  18           HMG      VAL  18 -12.790  -8.812  -8.763
  118   2HG2  VAL  18           HMG      VAL  18 -13.353  -7.177  -8.345
  119   3HG2  VAL  18           HMG      VAL  18 -12.619  -8.211  -7.096
  120    OH   TYR  19           OH       TYR  19 -20.958 -12.776 -13.594
  121    H    TYR  19           HN       TYR  19 -16.427 -11.591  -7.882
  122    HA   TYR  19           HA       TYR  19 -19.151 -10.494  -8.378
  123   1HB   TYR  19           HBS      TYR  19 -18.028 -13.268  -8.246
  124   2HB   TYR  19           HBR      TYR  19 -19.674 -12.998  -7.606
  125    HD1  TYR  19           HD2      TYR  19 -17.646 -12.113 -10.637
  126    HD2  TYR  19           HD1      TYR  19 -21.414 -13.371  -9.120
  127    HE1  TYR  19           HE2      TYR  19 -18.536 -12.182 -12.924
  128    HE2  TYR  19           HE1      TYR  19 -22.311 -13.468 -11.405
  129    HH   TYR  19           HH       TYR  19 -21.250 -11.737 -13.733
  130    H    ALA  20           HN       ALA  20 -17.750 -12.760  -5.997
  131    HA   ALA  20           HA       ALA  20 -18.962 -11.508  -3.679
  132   1HB   ALA  20           HMB      ALA  20 -18.090 -13.888  -3.868
  133   2HB   ALA  20           HMB      ALA  20 -16.453 -13.191  -3.761
  134   3HB   ALA  20           HMB      ALA  20 -17.606 -12.969  -2.420
  135    H    ALA  21           HN       ALA  21 -18.571  -9.379  -3.549
  136    HA   ALA  21           HA       ALA  21 -16.519  -8.109  -4.870
  137   1HB   ALA  21           HMB      ALA  21 -18.700  -7.158  -4.030
  138   2HB   ALA  21           HMB      ALA  21 -17.910  -6.956  -2.445
  139   3HB   ALA  21           HMB      ALA  21 -17.273  -6.101  -3.873
  140    H    GLU  22           HN       GLU  22 -14.435  -7.963  -4.563
  141    HA   GLU  22           HA       GLU  22 -13.367  -8.053  -1.785
  142   1HB   GLU  22           HBS      GLU  22 -12.989 -10.074  -3.193
  143   2HB   GLU  22           HBR      GLU  22 -12.091  -9.175  -4.289
  144   1HG   GLU  22           HGS      GLU  22 -10.671 -10.422  -2.698
  145   2HG   GLU  22           HGR      GLU  22 -10.378  -8.679  -2.455
  146    H    LYS  23           HN       LYS  23 -14.336  -5.913  -3.575
  147    HA   LYS  23           HA       LYS  23 -11.903  -4.817  -4.824
  148   1HB   LYS  23           HBS      LYS  23 -14.227  -5.153  -5.972
  149   2HB   LYS  23           HBR      LYS  23 -14.685  -3.671  -5.089
  150   1HG   LYS  23           HGR      LYS  23 -12.134  -3.479  -6.581
  151   2HG   LYS  23           HGS      LYS  23 -13.581  -3.739  -7.595
  152   1HD   LYS  23           HDS      LYS  23 -13.062  -1.484  -5.664
  153   2HD   LYS  23           HDR      LYS  23 -13.153  -1.415  -7.402
  154   1HE   LYS  23           HES      LYS  23 -15.584  -2.546  -6.673
  155   2HE   LYS  23           HER      LYS  23 -15.265  -1.284  -5.449
  156   1HZ   LYS  23           HZB      LYS  23 -15.147  -0.860  -8.356
  157   2HZ   LYS  23           HZC      LYS  23 -16.413  -0.453  -7.407
  158   3HZ   LYS  23           HZA      LYS  23 -14.968   0.281  -7.200
  159    H    VAL  24           HN       VAL  24 -11.722  -2.418  -4.910
  160    HA   VAL  24           HA       VAL  24 -11.823  -1.351  -2.159
  161    HB   VAL  24           HB       VAL  24 -10.230  -3.345  -2.605
  162   1HG1  VAL  24           HMG      VAL  24  -9.157  -1.805  -4.573
  163   2HG1  VAL  24           HMG      VAL  24  -8.059  -1.442  -3.220
  164   3HG1  VAL  24           HMG      VAL  24  -8.314  -3.128  -3.731
  165   1HG2  VAL  24           HMG      VAL  24 -10.401  -1.857  -0.574
  166   2HG2  VAL  24           HMG      VAL  24  -8.840  -2.669  -0.841
  167   3HG2  VAL  24           HMG      VAL  24  -9.022  -0.942  -1.229
  168    H    ILE  25           HN       ILE  25 -10.288   0.585  -1.997
  169    HA   ILE  25           HA       ILE  25 -10.168   2.111  -4.543
  170    HB   ILE  25           HB       ILE  25 -11.468   3.144  -1.978
  171   1HG1  ILE  25           HG1      ILE  25 -12.760   1.989  -4.478
  172   2HG1  ILE  25           HG1      ILE  25 -12.781   1.294  -2.832
  173   1HG2  ILE  25           HMG      ILE  25 -10.862   4.328  -4.619
  174   2HG2  ILE  25           HMG      ILE  25 -12.477   4.680  -3.949
  175   3HG2  ILE  25           HMG      ILE  25 -11.014   5.088  -3.012
  176   1HD1  ILE  25           HMD      ILE  25 -13.835   4.025  -2.941
  177   2HD1  ILE  25           HMD      ILE  25 -14.743   2.874  -3.957
  178   3HD1  ILE  25           HMD      ILE  25 -14.526   2.549  -2.216
  179    H    GLY  26           HN       GLY  26  -8.678   3.732  -4.624
  180   1HA   GLY  26           HAR      GLY  26  -7.349   4.689  -2.235
  181   2HA   GLY  26           HAS      GLY  26  -6.256   3.757  -3.292
  182    H    ALA  27           HN       ALA  27  -7.575   6.774  -2.648
  183    HA   ALA  27           HA       ALA  27  -7.573   8.811  -3.690
  184   1HB   ALA  27           HMB      ALA  27  -5.379   7.387  -4.938
  185   2HB   ALA  27           HMB      ALA  27  -6.187   8.479  -6.090
  186   3HB   ALA  27           HMB      ALA  27  -5.556   9.117  -4.551
  187    H    GLY  28           HN       GLY  28  -7.240   6.897  -6.660
  188   1HA   GLY  28           HAR      GLY  28 -10.086   7.409  -7.364
  189   2HA   GLY  28           HAS      GLY  28  -8.786   8.130  -8.350
  190    H    LYS  29           HN       LYS  29  -8.072   5.100  -6.870
  191    HA   LYS  29           HA       LYS  29  -8.433   3.722  -9.494
  192   1HB   LYS  29           HBS      LYS  29  -6.210   3.672  -7.525
  193   2HB   LYS  29           HBR      LYS  29  -6.738   2.089  -8.163
  194   1HG   LYS  29           HGR      LYS  29  -6.471   4.042 -10.304
  195   2HG   LYS  29           HGS      LYS  29  -4.958   3.908  -9.362
  196   1HD   LYS  29           HDS      LYS  29  -4.666   1.679  -9.852
  197   2HD   LYS  29           HDR      LYS  29  -6.356   1.422 -10.194
  198   1HE   LYS  29           HES      LYS  29  -4.681   1.437 -12.152
  199   2HE   LYS  29           HER      LYS  29  -6.248   2.280 -12.312
  200   1HZ   LYS  29           HZB      LYS  29  -3.851   3.692 -11.414
  201   2HZ   LYS  29           HZC      LYS  29  -4.165   3.497 -13.005
  202   3HZ   LYS  29           HZA      LYS  29  -5.219   4.309 -12.059
  203    H    SER  30           HN       SER  30  -9.296   1.669  -9.455
  204    HA   SER  30           HA       SER  30 -10.380   0.733  -6.846
  205   1HB   SER  30           HBS      SER  30 -11.618   0.862  -9.519
  206   2HB   SER  30           HBR      SER  30 -11.809  -0.695  -8.662
  207    HG   SER  30           HG       SER  30 -12.763   1.935  -8.176
  208    CH2  TRP  31           CH2      TRP  31  -3.417   1.521  -6.632
  209    H    TRP  31           HN       TRP  31 -10.004  -1.337  -6.259
  210    HA   TRP  31           HA       TRP  31  -8.290  -3.039  -7.947
  211   1HB   TRP  31           HBS      TRP  31  -7.148  -2.659  -5.283
  212   2HB   TRP  31           HBR      TRP  31  -6.371  -2.753  -6.887
  213    HD1  TRP  31           HD1      TRP  31  -8.704   0.061  -5.515
  214    HE1  TRP  31           HE1      TRP  31  -7.399   2.273  -5.551
  215    HE3  TRP  31           HE3      TRP  31  -4.161  -1.778  -6.871
  216    HZ2  TRP  31           HZ2      TRP  31  -4.767   3.096  -6.066
  217    HZ3  TRP  31           HZ3      TRP  31  -2.299  -0.212  -7.167
  218    HH2  TRP  31           HH2      TRP  31  -2.566   2.166  -6.693
  219    H    HIS  32           HN       ZHI  32  -7.512  -4.941  -6.433
  220    HA   HIS  32           HA       ZHI  32  -9.862  -5.984  -4.996
  221   1HB   HIS  32           HBS      ZHI  32  -7.268  -7.243  -5.927
  222   2HB   HIS  32           HBR      ZHI  32  -8.262  -8.012  -4.656
  223    HD2  HIS  32           HD2      ZHI  32 -10.980  -8.554  -5.563
  224    HE1  HIS  32           HE1      ZHI  32  -9.633  -9.256  -9.490
  225    HE2  HIS  32           HE2      ZHI  32 -11.437  -9.764  -7.807
  226    H    LYS  33           HN       LYS  33  -9.595  -6.960  -2.888
  227    HA   LYS  33           HA       LYS  33  -8.219  -5.407  -0.940
  228   1HB   LYS  33           HBR      LYS  33  -9.921  -7.738  -0.991
  229   2HB   LYS  33           HBS      LYS  33  -8.518  -8.023   0.079
  230   1HG   LYS  33           HGR      LYS  33 -10.007  -5.427   0.330
  231   2HG   LYS  33           HGS      LYS  33 -10.761  -6.911   0.982
  232   1HD   LYS  33           HDS      LYS  33  -8.335  -7.217   2.028
  233   2HD   LYS  33           HDR      LYS  33  -8.296  -5.487   1.833
  234   1HE   LYS  33           HES      LYS  33  -9.071  -5.831   4.009
  235   2HE   LYS  33           HER      LYS  33 -10.502  -5.382   3.038
  236   1HZ   LYS  33           HZC      LYS  33 -10.305  -8.099   2.902
  237   2HZ   LYS  33           HZA      LYS  33 -10.013  -7.748   4.469
  238   3HZ   LYS  33           HZB      LYS  33 -11.393  -7.238   3.761
  239    H    SER  34           HN       SER  34  -7.166  -7.825  -3.141
  240    HA   SER  34           HA       SER  34  -4.641  -8.180  -1.602
  241   1HB   SER  34           HBR      SER  34  -6.272 -10.154  -1.773
  242   2HB   SER  34           HBS      SER  34  -5.790 -10.225  -3.492
  243    HG   SER  34           HG       SER  34  -3.868 -10.882  -3.102
  244    H    CYS  35           HN       CYS  35  -5.533  -6.287  -3.829
  245    HA   CYS  35           HA       CYS  35  -3.196  -6.859  -5.586
  246   1HB   CYS  35           HBS      CYS  35  -5.899  -5.703  -6.155
  247   2HB   CYS  35           HBR      CYS  35  -4.486  -5.164  -7.107
  248    H    PHE  36           HN       PHE  36  -4.612  -4.784  -3.262
  249    HA   PHE  36           HA       PHE  36  -3.435  -2.343  -3.839
  250   1HB   PHE  36           HBS      PHE  36  -4.806  -3.405  -1.611
  251   2HB   PHE  36           HBR      PHE  36  -3.234  -2.837  -0.976
  252    HD1  PHE  36           HD2      PHE  36  -2.601  -0.386  -2.329
  253    HD2  PHE  36           HD1      PHE  36  -6.473  -1.970  -1.528
  254    HE1  PHE  36           HE2      PHE  36  -3.506   1.915  -2.185
  255    HE2  PHE  36           HE1      PHE  36  -7.421   0.293  -1.521
  256    HZ   PHE  36           HZ       PHE  36  -5.947   2.236  -1.895
  257    NH1  ARG  37           NH1      ARG  37   4.856  -6.067  -5.668
  258    NH2  ARG  37           NH2      ARG  37   5.408  -4.249  -6.957
  259    H    ARG  37           HN       ARG  37  -1.439  -1.929  -4.355
  260    HA   ARG  37           HA       ARG  37   0.720  -3.607  -3.182
  261   1HB   ARG  37           HBR      ARG  37   0.223  -2.452  -5.902
  262   2HB   ARG  37           HBS      ARG  37   1.908  -2.633  -5.337
  263   1HG   ARG  37           HGS      ARG  37   0.118  -4.997  -5.040
  264   2HG   ARG  37           HGR      ARG  37   0.596  -4.541  -6.700
  265   1HD   ARG  37           HDS      ARG  37   2.480  -5.012  -4.388
  266   2HD   ARG  37           HDR      ARG  37   2.108  -6.180  -5.687
  267    HE   ARG  37           HE       ARG  37   2.977  -3.761  -6.869
  268   1HH1  ARG  37           HH1      ARG  37   4.177  -6.609  -5.172
  269   2HH1  ARG  37           HH1      ARG  37   5.808  -6.371  -5.702
  270   1HH2  ARG  37           HH2      ARG  37   5.143  -3.412  -7.437
  271   2HH2  ARG  37           HH2      ARG  37   6.356  -4.563  -6.986
  272    H    CYS  38           HN       CYS  38   1.667  -2.555  -1.592
  273    HA   CYS  38           HA       CYS  38   2.281   0.311  -1.592
  274   1HB   CYS  38           HBS      CYS  38   2.014  -1.063   0.479
  275   2HB   CYS  38           HBR      CYS  38   3.492  -1.951   0.012
  276    H    ALA  39           HN       ALA  39   3.545   1.053  -3.118
  277    HA   ALA  39           HA       ALA  39   5.956  -0.452  -3.923
  278   1HB   ALA  39           HMB      ALA  39   4.299   1.028  -5.396
  279   2HB   ALA  39           HMB      ALA  39   5.416   2.316  -4.877
  280   3HB   ALA  39           HMB      ALA  39   6.042   0.891  -5.745
  281    H    LYS  40           HN       LYS  40   5.750   0.329  -1.199
  282    HA   LYS  40           HA       LYS  40   8.017   2.265  -1.065
  283   1HB   LYS  40           HBS      LYS  40   5.557   2.751  -0.110
  284   2HB   LYS  40           HBR      LYS  40   6.230   1.857   1.283
  285   1HG   LYS  40           HGR      LYS  40   8.009   3.954   0.191
  286   2HG   LYS  40           HGS      LYS  40   6.473   4.562   0.870
  287   1HD   LYS  40           HDS      LYS  40   8.228   2.646   2.382
  288   2HD   LYS  40           HDR      LYS  40   8.538   4.360   2.374
  289   1HE   LYS  40           HES      LYS  40   5.885   3.180   3.176
  290   2HE   LYS  40           HER      LYS  40   7.215   3.552   4.309
  291   1HZ   LYS  40           HZB      LYS  40   7.100   5.835   3.516
  292   2HZ   LYS  40           HZC      LYS  40   5.813   5.471   2.581
  293   3HZ   LYS  40           HZA      LYS  40   5.697   5.361   4.206
  294    H    CYS  41           HN       CYS  41   6.404  -0.414   0.690
  295    HA   CYS  41           HA       CYS  41   9.101  -1.400   1.471
  296   1HB   CYS  41           HBR      CYS  41   7.975  -3.061   2.851
  297   2HB   CYS  41           HBS      CYS  41   7.617  -1.386   3.350
  298    H    GLY  42           HN       GLY  42   6.514  -1.657  -0.756
  299   1HA   GLY  42           HAS      GLY  42   6.919  -2.421  -2.956
  300   2HA   GLY  42           HAR      GLY  42   8.305  -3.372  -2.363
  301    H    LYS  43           HN       LYS  43   5.428  -3.551  -0.475
  302    HA   LYS  43           HA       LYS  43   5.272  -6.405  -1.222
  303   1HB   LYS  43           HBS      LYS  43   5.499  -5.004   1.223
  304   2HB   LYS  43           HBR      LYS  43   3.861  -5.715   1.198
  305   1HG   LYS  43           HGR      LYS  43   4.746  -7.668   1.823
  306   2HG   LYS  43           HGS      LYS  43   5.623  -7.732   0.267
  307   1HD   LYS  43           HDS      LYS  43   7.527  -7.621   1.340
  308   2HD   LYS  43           HDR      LYS  43   7.112  -5.997   1.814
  309   1HE   LYS  43           HES      LYS  43   6.414  -8.473   3.389
  310   2HE   LYS  43           HER      LYS  43   7.773  -7.359   3.714
  311   1HZ   LYS  43           HZA      LYS  43   5.079  -6.284   3.538
  312   2HZ   LYS  43           HZB      LYS  43   5.520  -7.066   4.903
  313   3HZ   LYS  43           HZC      LYS  43   6.356  -5.753   4.408
  314    H    SER  44           HN       SER  44   3.331  -7.507  -1.390
  315    HA   SER  44           HA       SER  44   0.875  -6.046  -2.034
  316   1HB   SER  44           HBS      SER  44   1.652  -8.424  -2.849
  317   2HB   SER  44           HBR      SER  44   0.917  -8.954  -1.309
  318    HG   SER  44           HG       SER  44  -0.367  -8.942  -3.361
  319    H    LEU  45           HN       LEU  45  -0.833  -5.746  -0.707
  320    HA   LEU  45           HA       LEU  45   0.060  -5.456   2.092
  321   1HB   LEU  45           HBS      LEU  45  -1.199  -3.877   0.055
  322   2HB   LEU  45           HBR      LEU  45  -2.293  -3.990   1.458
  323    HG   LEU  45           HG       LEU  45   0.423  -2.700   1.256
  324   1HD1  LEU  45           HMD      LEU  45  -2.283  -1.868   1.240
  325   2HD1  LEU  45           HMD      LEU  45  -1.583  -1.352   2.796
  326   3HD1  LEU  45           HMD      LEU  45  -0.810  -0.864   1.266
  327   1HD2  LEU  45           HMD      LEU  45  -0.621  -4.184   3.516
  328   2HD2  LEU  45           HMD      LEU  45   0.926  -3.324   3.332
  329   3HD2  LEU  45           HMD      LEU  45  -0.522  -2.445   3.893
  330    H    GLU  46           HN       GLU  46  -2.294  -4.795   3.267
  331    HA   GLU  46           HA       GLU  46  -3.799  -7.367   3.400
  332   1HB   GLU  46           HBR      GLU  46  -2.694  -6.100   5.863
  333   2HB   GLU  46           HBS      GLU  46  -3.223  -7.667   5.578
  334   1HG   GLU  46           HGS      GLU  46  -1.359  -8.373   4.379
  335   2HG   GLU  46           HGR      GLU  46  -0.706  -6.727   4.159
  336    H    SER  47           HN       SER  47  -4.990  -6.806   5.869
  337    HA   SER  47           HA       SER  47  -7.164  -5.231   4.791
  338   1HB   SER  47           HBR      SER  47  -8.445  -5.995   6.632
  339   2HB   SER  47           HBS      SER  47  -7.444  -7.363   6.065
  340    HG   SER  47           HG       SER  47  -6.159  -7.342   7.732
  341    H    THR  48           HN       THR  48  -4.462  -4.631   6.809
  342    HA   THR  48           HA       THR  48  -5.399  -2.328   8.239
  343    HB   THR  48           HB       THR  48  -2.937  -1.681   8.271
  344    HG1  THR  48           HG1      THR  48  -2.219  -2.264   6.695
  345   1HG2  THR  48           HMG      THR  48  -3.523  -4.543   9.075
  346   2HG2  THR  48           HMG      THR  48  -2.118  -3.584   9.607
  347   3HG2  THR  48           HMG      THR  48  -3.765  -3.085  10.070
  348    H    THR  49           HN       THR  49  -5.349  -0.191   7.719
  349    HA   THR  49           HA       THR  49  -6.258   0.372   5.122
  350    HB   THR  49           HB       THR  49  -5.644   2.888   6.070
  351    HG1  THR  49           HG1      THR  49  -5.676   2.927   7.997
  352   1HG2  THR  49           HMG      THR  49  -7.929   1.777   5.577
  353   2HG2  THR  49           HMG      THR  49  -7.960   1.435   7.326
  354   3HG2  THR  49           HMG      THR  49  -7.857   3.118   6.750
  355    H    LEU  50           HN       LEU  50  -5.173   2.753   4.338
  356    HA   LEU  50           HA       LEU  50  -2.293   2.343   3.815
  357   1HB   LEU  50           HBR      LEU  50  -2.972   2.491   1.317
  358   2HB   LEU  50           HBS      LEU  50  -3.084   0.935   2.189
  359    HG   LEU  50           HG       LEU  50  -5.609   1.902   2.508
  360   1HD1  LEU  50           HMD      LEU  50  -4.521   2.883  -0.141
  361   2HD1  LEU  50           HMD      LEU  50  -6.251   2.568   0.139
  362   3HD1  LEU  50           HMD      LEU  50  -5.404   3.803   1.103
  363   1HD2  LEU  50           HMD      LEU  50  -4.445   0.270   0.227
  364   2HD2  LEU  50           HMD      LEU  50  -4.930  -0.337   1.830
  365   3HD2  LEU  50           HMD      LEU  50  -6.160   0.298   0.708
  366    H    ALA  51           HN       ALA  51  -1.974   4.037   1.737
  367    HA   ALA  51           HA       ALA  51  -3.043   6.669   2.540
  368   1HB   ALA  51           HMB      ALA  51  -1.047   5.784   4.021
  369   2HB   ALA  51           HMB      ALA  51  -0.077   6.312   2.622
  370   3HB   ALA  51           HMB      ALA  51  -1.126   7.478   3.471
  371    H    ASP  52           HN       ASP  52  -3.808   6.531   0.356
  372    HA   ASP  52           HA       ASP  52  -1.876   6.540  -1.822
  373   1HB   ASP  52           HBS      ASP  52  -3.766   7.021  -3.264
  374   2HB   ASP  52           HBR      ASP  52  -4.035   5.588  -2.229
  375    H    LYS  53           HN       LYS  53  -1.536   8.313  -3.233
  376    HA   LYS  53           HA       LYS  53  -2.601  10.859  -2.921
  377   1HB   LYS  53           HBR      LYS  53  -1.376  10.938  -0.771
  378   2HB   LYS  53           HBS      LYS  53   0.155  10.693  -1.659
  379   1HG   LYS  53           HGR      LYS  53  -1.080  12.868  -2.937
  380   2HG   LYS  53           HGS      LYS  53  -1.358  13.139  -1.193
  381   1HD   LYS  53           HDS      LYS  53   1.172  12.553  -0.979
  382   2HD   LYS  53           HDR      LYS  53   1.221  12.902  -2.685
  383   1HE   LYS  53           HES      LYS  53  -0.210  14.987  -1.298
  384   2HE   LYS  53           HER      LYS  53   1.410  14.716  -0.595
  385   1HZ   LYS  53           HZC      LYS  53   1.181  14.844  -3.479
  386   2HZ   LYS  53           HZA      LYS  53   1.053  16.246  -2.652
  387   3HZ   LYS  53           HZB      LYS  53   2.400  15.332  -2.506
  388    H    ASP  54           HN       ASP  54  -2.059  12.118  -4.613
  389    HA   ASP  54           HA       ASP  54  -1.308  12.605  -6.699
  390   1HB   ASP  54           HBR      ASP  54   0.550  13.301  -5.256
  391   2HB   ASP  54           HBS      ASP  54   1.343  11.727  -5.556
  392    H    GLY  55           HN       GLY  55  -2.140   9.774  -6.053
  393   1HA   GLY  55           HAR      GLY  55  -2.786   8.159  -7.600
  394   2HA   GLY  55           HAS      GLY  55  -1.649   8.858  -8.781
  395    H    GLU  56           HN       GLU  56  -0.383   8.263  -5.632
  396    HA   GLU  56           HA       GLU  56   0.317   5.461  -6.237
  397   1HB   GLU  56           HBS      GLU  56   2.256   7.473  -5.184
  398   2HB   GLU  56           HBR      GLU  56   2.612   5.852  -5.433
  399   1HG   GLU  56           HGS      GLU  56   1.644   7.612  -7.691
  400   2HG   GLU  56           HGR      GLU  56   3.366   7.721  -7.233
  401    H    ILE  57           HN       ILE  57   1.498   4.634  -4.109
  402    HA   ILE  57           HA       ILE  57  -0.131   5.419  -1.767
  403    HB   ILE  57           HB       ILE  57  -1.292   3.252  -1.757
  404   1HG1  ILE  57           HG1      ILE  57  -0.033   2.701  -4.470
  405   2HG1  ILE  57           HG1      ILE  57   0.565   2.025  -2.928
  406   1HG2  ILE  57           HMG      ILE  57  -2.170   5.275  -3.072
  407   2HG2  ILE  57           HMG      ILE  57  -1.736   4.338  -4.525
  408   3HG2  ILE  57           HMG      ILE  57  -2.918   3.682  -3.362
  409   1HD1  ILE  57           HMD      ILE  57  -2.313   1.603  -3.525
  410   2HD1  ILE  57           HMD      ILE  57  -1.145   0.736  -4.558
  411   3HD1  ILE  57           HMD      ILE  57  -1.109   0.510  -2.789
  412    OH   TYR  58           OH       TYR  58   2.326   9.014   3.572
  413    H    TYR  58           HN       TYR  58   0.683   4.755   0.122
  414    HA   TYR  58           HA       TYR  58   2.416   2.405   0.115
  415   1HB   TYR  58           HBS      TYR  58   3.910   3.331   1.881
  416   2HB   TYR  58           HBR      TYR  58   4.095   4.141   0.300
  417    HD1  TYR  58           HD2      TYR  58   2.853   6.369  -0.015
  418    HD2  TYR  58           HD1      TYR  58   3.367   4.604   3.820
  419    HE1  TYR  58           HE2      TYR  58   2.323   8.522   1.037
  420    HE2  TYR  58           HE1      TYR  58   2.831   6.752   4.887
  421    HH   TYR  58           HH       TYR  58   3.207   9.588   3.289
  422    H    CYS  59           HN       CYS  59   2.679   1.749   2.574
  423    HA   CYS  59           HA       CYS  59  -0.190   1.345   2.995
  424   1HB   CYS  59           HBS      CYS  59   0.201  -0.873   3.401
  425   2HB   CYS  59           HBR      CYS  59   1.208  -0.404   2.010
  426    H    LYS  60           HN       LYS  60  -1.088   0.623   4.974
  427    HA   LYS  60           HA       LYS  60  -0.135   2.188   7.301
  428   1HB   LYS  60           HBR      LYS  60  -2.636   1.798   6.628
  429   2HB   LYS  60           HBS      LYS  60  -2.386   0.188   7.359
  430   1HG   LYS  60           HGR      LYS  60  -2.942   1.133   9.311
  431   2HG   LYS  60           HGS      LYS  60  -1.348   1.942   9.259
  432   1HD   LYS  60           HDS      LYS  60  -3.692   3.181   7.871
  433   2HD   LYS  60           HDR      LYS  60  -3.576   3.273   9.607
  434   1HE   LYS  60           HES      LYS  60  -2.061   4.879   9.536
  435   2HE   LYS  60           HER      LYS  60  -1.046   3.934   8.410
  436   1HZ   LYS  60           HZB      LYS  60  -3.383   5.055   7.221
  437   2HZ   LYS  60           HZC      LYS  60  -2.342   6.181   7.784
  438   3HZ   LYS  60           HZA      LYS  60  -1.835   5.070   6.700
  439    H    GLY  61           HN       GLY  61   0.151  -0.875   5.777
  440   1HA   GLY  61           HAR      GLY  61   1.287  -2.405   7.892
  441   2HA   GLY  61           HAS      GLY  61   1.674  -2.535   6.155
  442    H    CYS  62           HN       CYS  62   2.247   0.570   6.517
  443    HA   CYS  62           HA       CYS  62   5.083   0.126   7.168
  444   1HB   CYS  62           HBS      CYS  62   3.531   1.461   5.072
  445   2HB   CYS  62           HBR      CYS  62   4.838   2.483   5.732
  446    OH   TYR  63           OH       TYR  63   1.256   9.217  11.907
  447    H    TYR  63           HN       TYR  63   2.605   2.691   7.308
  448    HA   TYR  63           HA       TYR  63   3.755   4.254   9.367
  449   1HB   TYR  63           HBS      TYR  63   1.625   4.631   7.888
  450   2HB   TYR  63           HBR      TYR  63   0.783   3.768   9.207
  451    HD1  TYR  63           HD1      TYR  63   3.604   6.240   9.414
  452    HD2  TYR  63           HD2      TYR  63  -0.458   5.378  10.335
  453    HE1  TYR  63           HE1      TYR  63   3.465   8.317  10.719
  454    HE2  TYR  63           HE2      TYR  63  -0.618   7.462  11.619
  455    HH   TYR  63           HH       TYR  63   1.852   9.918  11.327
  456    H    ALA  64           HN       ALA  64   2.522   1.055   9.387
  457    HA   ALA  64           HA       ALA  64   2.423   1.009  12.331
  458   1HB   ALA  64           HMB      ALA  64   1.838  -1.061  10.200
  459   2HB   ALA  64           HMB      ALA  64   1.737  -1.356  11.955
  460   3HB   ALA  64           HMB      ALA  64   0.671  -0.148  11.192
  461    H    LYS  65           HN       LYS  65   4.170  -0.621   9.662
  462    HA   LYS  65           HA       LYS  65   5.999  -1.836  11.535
  463   1HB   LYS  65           HBS      LYS  65   5.099  -2.853   9.381
  464   2HB   LYS  65           HBR      LYS  65   6.253  -1.796   8.519
  465   1HG   LYS  65           HGR      LYS  65   7.678  -3.532   8.711
  466   2HG   LYS  65           HGS      LYS  65   7.872  -2.983  10.400
  467   1HD   LYS  65           HDS      LYS  65   5.690  -4.906   9.679
  468   2HD   LYS  65           HDR      LYS  65   7.334  -5.466   9.824
  469   1HE   LYS  65           HES      LYS  65   7.453  -5.115  12.071
  470   2HE   LYS  65           HER      LYS  65   6.259  -3.787  12.020
  471   1HZ   LYS  65           HZA      LYS  65   4.592  -5.508  11.531
  472   2HZ   LYS  65           HZB      LYS  65   5.713  -6.664  11.803
  473   3HZ   LYS  65           HZC      LYS  65   5.265  -5.662  13.011
  474    H    ASN  66           HN       ASN  66   5.944   1.208  10.952
  475    HA   ASN  66           HA       ASN  66   8.895   1.419  10.755
  476   1HB   ASN  66           HBR      ASN  66   6.844   3.619  10.498
  477   2HB   ASN  66           HBS      ASN  66   8.620   3.814  10.457
  478   1HD2  ASN  66           HD2      ASN  66   8.587   1.639   7.340
  479   2HD2  ASN  66           HD2      ASN  66   9.104   1.353   8.968
  480    H    PHE  67           HN       PHE  67   6.134   1.573  12.805
  481    HA   PHE  67           HA       PHE  67   5.929   1.698  15.073
  482   1HB   PHE  67           HBS      PHE  67   8.241   0.254  14.762
  483   2HB   PHE  67           HBR      PHE  67   8.823   1.645  15.721
  484    HD1  PHE  67           HD1      PHE  67   6.817   2.356  17.448
  485    HD2  PHE  67           HD2      PHE  67   7.876  -1.595  16.251
  486    HE1  PHE  67           HE1      PHE  67   5.807   1.483  19.506
  487    HE2  PHE  67           HE2      PHE  67   6.872  -2.498  18.323
  488    HZ   PHE  67           HZ       PHE  67   5.783  -0.947  19.921
  489    H    GLY  68           HN       GLY  68   9.168   3.163  14.800
  490   1HA   GLY  68           HAR      GLY  68   8.163   5.851  15.421
  491   2HA   GLY  68           HAS      GLY  68   9.043   5.037  16.745
  492    HA   PRO  69           HA       PRO  69  11.647   5.782  12.663
  493   1HB   PRO  69           HBS      PRO  69  11.318   8.439  12.068
  494   2HB   PRO  69           HBR      PRO  69  10.913   7.164  11.118
  495   1HG   PRO  69           HGS      PRO  69   9.258   8.799  12.630
  496   2HG   PRO  69           HGR      PRO  69   8.821   7.716  11.439
  497   1HD   PRO  69           HDS      PRO  69   8.387   7.347  14.044
  498   2HD   PRO  69           HDR      PRO  69   8.385   6.140  12.913
  499    H    LYS  70           HN       LYS  70  11.246   8.291  14.997
  500    HA   LYS  70           HA       LYS  70  12.706   9.161  16.532
  501   1HB   LYS  70           HBS      LYS  70  13.650   6.432  15.994
  502   2HB   LYS  70           HBR      LYS  70  14.935   7.536  16.560
  503   1HG   LYS  70           HGR      LYS  70  12.601   7.942  18.184
  504   2HG   LYS  70           HGS      LYS  70  12.936   6.189  18.095
  505   1HD   LYS  70           HDS      LYS  70  14.565   6.376  19.542
  506   2HD   LYS  70           HDR      LYS  70  15.411   7.441  18.452
  507   1HE   LYS  70           HES      LYS  70  15.294   8.886  20.156
  508   2HE   LYS  70           HER      LYS  70  13.673   9.200  19.474
  509   1HZ   LYS  70           HZA      LYS  70  13.953   7.061  21.408
  510   2HZ   LYS  70           HZB      LYS  70  14.003   8.596  21.963
  511   3HZ   LYS  70           HZC      LYS  70  12.695   8.068  21.140
  512    H    GLY  71           HN       GLY  71  15.081   9.816  16.859
  513   1HA   GLY  71           HAR      GLY  71  17.226   9.853  15.460
  514   2HA   GLY  71           HAS      GLY  71  16.242  10.749  14.272
  515    H    PHE  72           HN       PHE  72  18.572  11.251  16.357
  516    HA   PHE  72           HA       PHE  72  17.997  14.061  16.434
  517   1HB   PHE  72           HBS      PHE  72  16.905  13.236  18.617
  518   2HB   PHE  72           HBR      PHE  72  18.568  12.891  19.177
  519    HD1  PHE  72           HD2      PHE  72  16.999  15.808  17.308
  520    HD2  PHE  72           HD1      PHE  72  19.237  14.398  20.649
  521    HE1  PHE  72           HE2      PHE  72  17.376  18.143  18.034
  522    HE2  PHE  72           HE1      PHE  72  19.628  16.704  21.388
  523    HZ   PHE  72           HZ       PHE  72  18.750  18.581  20.050
  524    H    GLY  73           HN       GLY  73  19.828  15.276  16.593
  525   1HA   GLY  73           HAS      GLY  73  22.173  15.446  17.543
  526   2HA   GLY  73           HAR      GLY  73  22.402  13.791  16.917
  527    H    PHE  74           HN       PHE  74  20.503  14.658  14.627
  528    HA   PHE  74           HA       PHE  74  22.703  15.786  12.971
  529   1HB   PHE  74           HBR      PHE  74  21.772  13.278  12.703
  530   2HB   PHE  74           HBS      PHE  74  20.559  14.125  11.698
  531    HD1  PHE  74           HD2      PHE  74  24.209  13.347  11.988
  532    HD2  PHE  74           HD1      PHE  74  21.110  15.179   9.708
  533    HE1  PHE  74           HE2      PHE  74  25.716  13.444  10.028
  534    HE2  PHE  74           HE1      PHE  74  22.585  15.284   7.750
  535    HZ   PHE  74           HZ       PHE  74  24.868  14.361   7.889
  536    H    GLY  75           HN       GLY  75  22.333  17.722  12.242
  537   1HA   GLY  75           HAS      GLY  75  19.587  18.577  11.481
  538   2HA   GLY  75           HAR      GLY  75  20.459  19.451  12.768
  539    H    GLN  76           HN       GLN  76  21.339  18.079   9.568
  540    HA   GLN  76           HA       GLN  76  22.093  19.029   7.650
  541   1HB   GLN  76           HBR      GLN  76  20.680  21.334   8.945
  542   2HB   GLN  76           HBS      GLN  76  21.653  21.595   7.470
  543   1HG   GLN  76           HGS      GLN  76  20.290  20.195   6.180
  544   2HG   GLN  76           HGR      GLN  76  19.554  19.437   7.620
  545   1HE2  GLN  76           HE2      GLN  76  17.645  22.340   5.772
  546   2HE2  GLN  76           HE2      GLN  76  18.799  21.232   5.107
  547    H    GLY  77           HN       GLY  77  24.071  19.357   7.020
  548   1HA   GLY  77           HAS      GLY  77  26.157  20.288   6.764
  549   2HA   GLY  77           HAR      GLY  77  25.539  21.685   7.685
  550    H    ALA  78           HN       ALA  78  28.162  20.278   7.729
  551    HA   ALA  78           HA       ALA  78  28.673  20.787  10.421
  552   1HB   ALA  78           HMB      ALA  78  27.962  17.980   9.860
  553   2HB   ALA  78           HMB      ALA  78  29.484  18.214  10.759
  554   3HB   ALA  78           HMB      ALA  78  27.963  18.896  11.389
  555    H    GLY  79           HN       GLY  79  30.749  21.268  10.610
  556   1HA   GLY  79           HAS      GLY  79  33.009  20.131   9.789
  557   2HA   GLY  79           HAR      GLY  79  32.503  20.895   8.258
  558    H    ALA  80           HN       ALA  80  31.201  23.161   9.543
  559    HA   ALA  80           HA       ALA  80  33.562  24.817   9.530
  560   1HB   ALA  80           HMB      ALA  80  31.489  25.409   8.358
  561   2HB   ALA  80           HMB      ALA  80  30.647  25.547   9.922
  562   3HB   ALA  80           HMB      ALA  80  31.982  26.660   9.528
  563    H    LEU  81           HN       LEU  81  34.401  26.087  11.100
  564    HA   LEU  81           HA       LEU  81  35.199  26.495  13.199
  565   1HB   LEU  81           HBR      LEU  81  32.254  26.131  13.820
  566   2HB   LEU  81           HBS      LEU  81  33.471  26.690  15.004
  567    HG   LEU  81           HG       LEU  81  33.839  28.449  12.940
  568   1HD1  LEU  81           HMD      LEU  81  30.981  27.518  12.981
  569   2HD1  LEU  81           HMD      LEU  81  31.354  29.232  12.669
  570   3HD1  LEU  81           HMD      LEU  81  32.012  27.968  11.599
  571   1HD2  LEU  81           HMD      LEU  81  32.714  28.333  15.611
  572   2HD2  LEU  81           HMD      LEU  81  33.669  29.620  14.832
  573   3HD2  LEU  81           HMD      LEU  81  31.900  29.576  14.627
  574    H    ILE  82           HN       ILE  82  34.757  23.696  12.019
  575    HA   ILE  82           HA       ILE  82  35.368  22.227  14.539
  576    HB   ILE  82           HB       ILE  82  34.584  21.114  11.800
  577   1HG1  ILE  82           HG1      ILE  82  32.788  22.334  13.056
  578   2HG1  ILE  82           HG1      ILE  82  32.433  20.619  12.702
  579   1HG2  ILE  82           HMG      ILE  82  35.557  19.832  14.294
  580   2HG2  ILE  82           HMG      ILE  82  34.210  19.037  13.438
  581   3HG2  ILE  82           HMG      ILE  82  35.747  19.345  12.589
  582   1HD1  ILE  82           HMD      ILE  82  33.661  20.677  15.248
  583   2HD1  ILE  82           HMD      ILE  82  32.460  21.996  15.227
  584   3HD1  ILE  82           HMD      ILE  82  31.957  20.326  14.852
  585    H    HIS  83           HN       HIS  83  37.418  23.287  14.584
  586    HA   HIS  83           HA       HIS  83  39.138  23.504  12.403
  587   1HB   HIS  83           HBR      HIS  83  39.260  24.458  14.944
  588   2HB   HIS  83           HBS      HIS  83  40.481  23.156  15.044
  589    HD1  HIS  83           HD1      HIS  83  40.495  24.400  11.631
  590    HD2  HIS  83           HD2      HIS  83  42.116  25.644  15.259
  591    HE1  HIS  83           HE1      HIS  83  42.427  25.893  11.066
  592    HE2  HIS  83           HE2      HIS  83  43.430  26.624  13.258
  593    H    SER  84           HN       SER  84  40.257  22.123  11.279
  594    HA   SER  84           HA       SER  84  42.061  20.321  12.408
  595   1HB   SER  84           HBS      SER  84  39.802  19.090  12.796
  596   2HB   SER  84           HBR      SER  84  39.926  18.696  11.057
  597    HG   SER  84           HG       SER  84  40.974  17.058  11.763
  598    H    GLN  85           HN       GLN  85  43.592  19.871  10.979
  599    HA   GLN  85           HA       GLN  85  43.347  21.249   8.453
  600   1HB   GLN  85           HBR      GLN  85  45.633  19.938   9.905
  601   2HB   GLN  85           HBS      GLN  85  45.785  20.467   8.206
  602   1HG   GLN  85           HGS      GLN  85  44.624  22.494   9.984
  603   2HG   GLN  85           HGR      GLN  85  46.281  22.005  10.433
  604   1HE2  GLN  85           HE2      GLN  85  47.239  24.593   8.283
  605   2HE2  GLN  85           HE2      GLN  85  47.011  24.087   9.923
   
  Start of MODEL          15
 Raw file had  605 H/Q atoms
  Start of MODEL   15
    1   1H    MET   1           HNB      MET   1 -15.968  -0.112 -22.645
    2   2H    MET   1           HN       MET   1 -15.284  -1.355 -23.454
    3   3H    MET   1           HNC      MET   1 -16.890  -1.359 -23.157
    4    HA   MET   1           HA       MET   1 -16.354  -2.716 -21.528
    5   1HB   MET   1           HBR      MET   1 -13.943  -2.592 -22.355
    6   2HB   MET   1           HBS      MET   1 -13.708  -1.291 -21.161
    7   1HG   MET   1           HGS      MET   1 -13.030  -3.220 -19.979
    8   2HG   MET   1           HGR      MET   1 -14.702  -2.949 -19.436
    9   1HE   MET   1           HME      MET   1 -15.510  -4.946 -18.759
   10   2HE   MET   1           HME      MET   1 -15.635  -6.507 -19.609
   11   3HE   MET   1           HME      MET   1 -14.083  -6.003 -18.895
   12    H    ALA   2           HN       ALA   2 -17.729  -0.214 -21.496
   13    HA   ALA   2           HA       ALA   2 -17.249   0.657 -18.684
   14   1HB   ALA   2           HMB      ALA   2 -16.467   2.189 -20.584
   15   2HB   ALA   2           HMB      ALA   2 -18.198   2.461 -20.906
   16   3HB   ALA   2           HMB      ALA   2 -17.509   2.889 -19.320
   17    H    GLN   3           HN       GLN   3 -19.583   0.413 -21.370
   18    HA   GLN   3           HA       GLN   3 -21.763  -0.213 -21.399
   19   1HB   GLN   3           HBR      GLN   3 -20.639  -1.688 -19.355
   20   2HB   GLN   3           HBS      GLN   3 -22.069  -0.940 -18.589
   21   1HG   GLN   3           HGS      GLN   3 -22.514  -3.174 -19.573
   22   2HG   GLN   3           HGR      GLN   3 -23.525  -1.870 -20.256
   23   1HE2  GLN   3           HE2      GLN   3 -22.523  -2.306 -23.524
   24   2HE2  GLN   3           HE2      GLN   3 -23.557  -1.538 -22.369
   25    H    LYS   4           HN       LYS   4 -21.620   0.796 -17.983
   26    HA   LYS   4           HA       LYS   4 -23.145   3.244 -18.713
   27   1HB   LYS   4           HBR      LYS   4 -23.622   1.429 -16.332
   28   2HB   LYS   4           HBS      LYS   4 -24.219   3.109 -16.449
   29   1HG   LYS   4           HGR      LYS   4 -25.978   2.476 -17.681
   30   2HG   LYS   4           HGS      LYS   4 -24.932   1.581 -18.821
   31   1HD   LYS   4           HDS      LYS   4 -26.245  -0.101 -18.057
   32   2HD   LYS   4           HDR      LYS   4 -24.843  -0.228 -17.030
   33   1HE   LYS   4           HES      LYS   4 -26.649   1.552 -15.752
   34   2HE   LYS   4           HER      LYS   4 -27.548   0.103 -16.285
   35   1HZ   LYS   4           HZB      LYS   4 -25.026  -0.021 -14.787
   36   2HZ   LYS   4           HZC      LYS   4 -26.496  -0.063 -14.074
   37   3HZ   LYS   4           HZA      LYS   4 -26.055  -1.250 -15.105
   38    H    VAL   5           HN       VAL   5 -21.968   1.999 -15.598
   39    HA   VAL   5           HA       VAL   5 -19.646   3.771 -15.542
   40    HB   VAL   5           HB       VAL   5 -20.686   4.924 -13.473
   41   1HG1  VAL   5           HMG      VAL   5 -20.340   5.697 -16.089
   42   2HG1  VAL   5           HMG      VAL   5 -22.044   6.109 -15.783
   43   3HG1  VAL   5           HMG      VAL   5 -20.767   6.765 -14.731
   44   1HG2  VAL   5           HMG      VAL   5 -23.057   3.628 -14.678
   45   2HG2  VAL   5           HMG      VAL   5 -22.737   4.132 -13.001
   46   3HG2  VAL   5           HMG      VAL   5 -23.246   5.335 -14.209
   47    H    GLY   6           HN       GLY   6 -18.790   1.617 -15.260
   48   1HA   GLY   6           HAR      GLY   6 -17.647   0.155 -13.870
   49   2HA   GLY   6           HAS      GLY   6 -18.220   1.083 -12.458
   50    H    GLY   7           HN       GLY   7 -20.651   0.889 -12.059
   51   1HA   GLY   7           HAR      GLY   7 -22.450  -0.462 -11.464
   52   2HA   GLY   7           HAS      GLY   7 -21.908  -1.682 -12.645
   53    H    SER   8           HN       SER   8 -20.272  -3.161 -12.068
   54    HA   SER   8           HA       SER   8 -20.078  -3.972  -9.316
   55   1HB   SER   8           HBR      SER   8 -18.052  -4.716 -11.410
   56   2HB   SER   8           HBS      SER   8 -18.691  -5.661 -10.033
   57    HG   SER   8           HG       SER   8 -19.479  -5.445 -12.662
   58    H    ASP   9           HN       ASP   9 -17.417  -4.449  -8.917
   59    HA   ASP   9           HA       ASP   9 -16.000  -1.919  -9.331
   60   1HB   ASP   9           HBS      ASP   9 -15.762  -3.209  -6.635
   61   2HB   ASP   9           HBR      ASP   9 -15.265  -1.580  -7.177
   62    H    GLY  10           HN       GLY  10 -14.627  -2.623 -10.774
   63   1HA   GLY  10           HAS      GLY  10 -13.588  -5.386 -10.513
   64   2HA   GLY  10           HAR      GLY  10 -13.775  -4.456 -12.025
   65    H    CYS  11           HN       CYS  11 -11.475  -5.603 -11.912
   66    HA   CYS  11           HA       CYS  11  -9.510  -3.819 -10.575
   67   1HB   CYS  11           HBS      CYS  11 -10.146  -6.135  -9.621
   68   2HB   CYS  11           HBR      CYS  11  -9.221  -6.783 -11.005
   69    HA   PRO  12           HA       PRO  12  -7.729  -3.594 -14.685
   70   1HB   PRO  12           HBR      PRO  12  -6.234  -1.481 -13.820
   71   2HB   PRO  12           HBS      PRO  12  -7.510  -1.418 -14.849
   72   1HG   PRO  12           HGS      PRO  12  -7.432  -0.456 -12.330
   73   2HG   PRO  12           HGR      PRO  12  -8.769  -0.514 -13.326
   74   1HD   PRO  12           HDS      PRO  12  -8.140  -2.177 -11.162
   75   2HD   PRO  12           HDR      PRO  12  -9.598  -1.985 -11.920
   76    NH1  ARG  13           NH1      ARG  13  -2.819  -0.191 -10.980
   77    NH2  ARG  13           NH2      ARG  13  -1.547  -0.569  -9.106
   78    H    ARG  13           HN       ARG  13  -6.657  -4.295 -11.649
   79    HA   ARG  13           HA       ARG  13  -3.843  -4.227 -12.220
   80   1HB   ARG  13           HBS      ARG  13  -5.096  -5.677  -9.888
   81   2HB   ARG  13           HBR      ARG  13  -3.506  -4.869  -9.999
   82   1HG   ARG  13           HGS      ARG  13  -6.233  -3.540  -9.871
   83   2HG   ARG  13           HGR      ARG  13  -4.979  -3.562  -8.599
   84   1HD   ARG  13           HDS      ARG  13  -4.166  -2.553 -11.257
   85   2HD   ARG  13           HDR      ARG  13  -5.320  -1.550 -10.333
   86    HE   ARG  13           HE       ARG  13  -3.332  -2.188  -8.522
   87   1HH1  ARG  13           HH1      ARG  13  -3.621  -0.394 -11.543
   88   2HH1  ARG  13           HH1      ARG  13  -2.178   0.522 -11.263
   89   1HH2  ARG  13           HH2      ARG  13  -1.381  -1.067  -8.255
   90   2HH2  ARG  13           HH2      ARG  13  -0.913   0.146  -9.400
   91    H    CYS  14           HN       CYS  14  -6.076  -6.923 -11.429
   92    HA   CYS  14           HA       CYS  14  -4.043  -8.839 -12.431
   93   1HB   CYS  14           HBR      CYS  14  -5.524 -10.575 -11.493
   94   2HB   CYS  14           HBS      CYS  14  -4.859  -9.441 -10.284
   95    H    GLY  15           HN       GLY  15  -7.021  -7.259 -13.186
   96   1HA   GLY  15           HAS      GLY  15  -7.545  -7.006 -15.565
   97   2HA   GLY  15           HAR      GLY  15  -7.026  -8.695 -15.807
   98    H    GLN  16           HN       GLN  16  -8.371  -9.223 -13.058
   99    HA   GLN  16           HA       GLN  16 -11.002  -9.865 -14.069
  100   1HB   GLN  16           HBR      GLN  16  -9.504 -10.381 -11.551
  101   2HB   GLN  16           HBS      GLN  16 -11.289 -10.382 -11.475
  102   1HG   GLN  16           HGS      GLN  16  -9.872 -11.950 -13.608
  103   2HG   GLN  16           HGR      GLN  16  -9.974 -12.595 -11.946
  104   1HE2  GLN  16           HE2      GLN  16 -13.222 -13.704 -12.200
  105   2HE2  GLN  16           HE2      GLN  16 -11.777 -13.537 -11.260
  106    H    ALA  17           HN       ALA  17 -12.898  -9.401 -12.494
  107    HA   ALA  17           HA       ALA  17 -12.652  -6.766 -11.189
  108   1HB   ALA  17           HMB      ALA  17 -14.702  -7.528 -13.243
  109   2HB   ALA  17           HMB      ALA  17 -15.154  -6.464 -11.886
  110   3HB   ALA  17           HMB      ALA  17 -13.844  -5.986 -12.996
  111    H    VAL  18           HN       VAL  18 -14.827  -6.507  -9.847
  112    HA   VAL  18           HA       VAL  18 -15.090  -9.060  -8.350
  113    HB   VAL  18           HB       VAL  18 -14.923  -6.429  -6.908
  114   1HG1  VAL  18           HMG      VAL  18 -15.003  -9.284  -6.187
  115   2HG1  VAL  18           HMG      VAL  18 -13.822  -8.304  -5.283
  116   3HG1  VAL  18           HMG      VAL  18 -15.542  -7.844  -5.291
  117   1HG2  VAL  18           HMG      VAL  18 -12.657  -7.940  -8.089
  118   2HG2  VAL  18           HMG      VAL  18 -12.831  -6.206  -7.730
  119   3HG2  VAL  18           HMG      VAL  18 -12.468  -7.353  -6.418
  120    OH   TYR  19           OH       TYR  19 -17.469 -13.846 -10.486
  121    H    TYR  19           HN       TYR  19 -16.990  -9.318  -7.165
  122    HA   TYR  19           HA       TYR  19 -19.266  -7.838  -8.232
  123   1HB   TYR  19           HBS      TYR  19 -19.460 -10.020  -6.158
  124   2HB   TYR  19           HBR      TYR  19 -20.593  -9.582  -7.467
  125    HD1  TYR  19           HD1      TYR  19 -17.352 -11.280  -6.745
  126    HD2  TYR  19           HD2      TYR  19 -20.367 -10.523  -9.647
  127    HE1  TYR  19           HE1      TYR  19 -16.425 -13.059  -8.164
  128    HE2  TYR  19           HE2      TYR  19 -19.469 -12.316 -11.061
  129    HH   TYR  19           HH       TYR  19 -17.412 -13.391 -11.472
  130    H    ALA  20           HN       ALA  20 -17.556  -6.286  -6.590
  131    HA   ALA  20           HA       ALA  20 -17.553  -4.852  -4.801
  132   1HB   ALA  20           HMB      ALA  20 -20.371  -5.400  -5.185
  133   2HB   ALA  20           HMB      ALA  20 -19.975  -5.232  -3.457
  134   3HB   ALA  20           HMB      ALA  20 -19.558  -3.927  -4.597
  135    H    ALA  21           HN       ALA  21 -15.982  -6.499  -4.177
  136    HA   ALA  21           HA       ALA  21 -16.858  -8.086  -1.833
  137   1HB   ALA  21           HMB      ALA  21 -16.603  -9.384  -4.140
  138   2HB   ALA  21           HMB      ALA  21 -14.883  -9.342  -3.676
  139   3HB   ALA  21           HMB      ALA  21 -16.081 -10.079  -2.584
  140    H    GLU  22           HN       GLU  22 -14.002  -7.239  -3.843
  141    HA   GLU  22           HA       GLU  22 -12.475  -6.840  -1.304
  142   1HB   GLU  22           HBR      GLU  22 -11.112  -7.748  -3.788
  143   2HB   GLU  22           HBS      GLU  22 -10.671  -7.877  -2.175
  144   1HG   GLU  22           HGS      GLU  22 -12.875  -9.492  -3.424
  145   2HG   GLU  22           HGR      GLU  22 -11.269 -10.151  -3.013
  146    H    LYS  23           HN       LYS  23 -14.013  -5.023  -3.081
  147    HA   LYS  23           HA       LYS  23 -12.083  -3.727  -4.808
  148   1HB   LYS  23           HBS      LYS  23 -14.005  -2.145  -5.235
  149   2HB   LYS  23           HBR      LYS  23 -14.284  -3.861  -5.647
  150   1HG   LYS  23           HGR      LYS  23 -16.199  -3.696  -4.493
  151   2HG   LYS  23           HGS      LYS  23 -15.191  -3.650  -3.017
  152   1HD   LYS  23           HDS      LYS  23 -15.044  -1.097  -3.538
  153   2HD   LYS  23           HDR      LYS  23 -16.448  -1.398  -4.524
  154   1HE   LYS  23           HES      LYS  23 -17.047  -0.625  -2.282
  155   2HE   LYS  23           HER      LYS  23 -17.692  -2.248  -2.663
  156   1HZ   LYS  23           HZA      LYS  23 -15.136  -2.302  -1.420
  157   2HZ   LYS  23           HZB      LYS  23 -16.275  -1.609  -0.478
  158   3HZ   LYS  23           HZC      LYS  23 -16.496  -3.124  -1.045
  159    H    VAL  24           HN       VAL  24 -10.621  -2.390  -4.045
  160    HA   VAL  24           HA       VAL  24 -11.436  -0.351  -2.043
  161    HB   VAL  24           HB       VAL  24  -9.007   0.211  -1.979
  162   1HG1  VAL  24           HMG      VAL  24 -10.148  -1.224  -0.278
  163   2HG1  VAL  24           HMG      VAL  24  -9.555  -2.651  -1.163
  164   3HG1  VAL  24           HMG      VAL  24  -8.398  -1.509  -0.438
  165   1HG2  VAL  24           HMG      VAL  24  -8.802  -1.398  -4.214
  166   2HG2  VAL  24           HMG      VAL  24  -7.457  -0.760  -3.240
  167   3HG2  VAL  24           HMG      VAL  24  -8.092  -2.391  -2.919
  168    H    ILE  25           HN       ILE  25 -10.205   1.807  -2.598
  169    HA   ILE  25           HA       ILE  25 -10.169   2.311  -5.520
  170    HB   ILE  25           HB       ILE  25 -11.392   4.433  -5.217
  171   1HG1  ILE  25           HG1      ILE  25 -12.713   4.225  -2.765
  172   2HG1  ILE  25           HG1      ILE  25 -11.031   3.757  -2.391
  173   1HG2  ILE  25           HMG      ILE  25 -12.806   1.916  -4.371
  174   2HG2  ILE  25           HMG      ILE  25 -13.675   3.462  -4.558
  175   3HG2  ILE  25           HMG      ILE  25 -12.818   2.746  -5.949
  176   1HD1  ILE  25           HMD      ILE  25 -11.695   6.272  -3.927
  177   2HD1  ILE  25           HMD      ILE  25 -11.652   6.223  -2.144
  178   3HD1  ILE  25           HMD      ILE  25 -10.184   5.841  -3.084
  179    H    GLY  26           HN       GLY  26  -9.012   4.247  -6.092
  180   1HA   GLY  26           HAR      GLY  26  -7.479   5.608  -3.990
  181   2HA   GLY  26           HAS      GLY  26  -6.504   4.773  -5.228
  182    H    ALA  27           HN       ALA  27  -8.885   7.306  -4.626
  183    HA   ALA  27           HA       ALA  27  -9.514   9.178  -5.786
  184   1HB   ALA  27           HMB      ALA  27  -6.786   8.865  -6.443
  185   2HB   ALA  27           HMB      ALA  27  -7.647   9.189  -7.969
  186   3HB   ALA  27           HMB      ALA  27  -7.804  10.319  -6.600
  187    H    GLY  28           HN       GLY  28  -8.040   7.334  -8.462
  188   1HA   GLY  28           HAS      GLY  28 -10.736   7.229  -9.755
  189   2HA   GLY  28           HAR      GLY  28  -9.199   7.348 -10.651
  190    H    LYS  29           HN       LYS  29  -8.055   5.506  -8.434
  191    HA   LYS  29           HA       LYS  29  -8.115   3.213 -10.119
  192   1HB   LYS  29           HBS      LYS  29  -6.784   4.011  -7.592
  193   2HB   LYS  29           HBR      LYS  29  -7.023   2.255  -7.827
  194   1HG   LYS  29           HGR      LYS  29  -4.809   3.076  -8.636
  195   2HG   LYS  29           HGS      LYS  29  -5.796   2.315  -9.916
  196   1HD   LYS  29           HDS      LYS  29  -6.461   5.035  -9.970
  197   2HD   LYS  29           HDR      LYS  29  -4.738   4.995  -9.718
  198   1HE   LYS  29           HES      LYS  29  -4.439   4.652 -11.873
  199   2HE   LYS  29           HER      LYS  29  -5.232   3.064 -11.678
  200   1HZ   LYS  29           HZB      LYS  29  -7.351   4.412 -11.899
  201   2HZ   LYS  29           HZC      LYS  29  -6.414   5.596 -12.523
  202   3HZ   LYS  29           HZA      LYS  29  -6.481   4.138 -13.256
  203    H    SER  30           HN       SER  30  -8.642   1.035  -9.497
  204    HA   SER  30           HA       SER  30 -10.236   0.624  -7.106
  205   1HB   SER  30           HBR      SER  30 -12.102  -0.485  -8.161
  206   2HB   SER  30           HBS      SER  30 -11.985   1.205  -8.728
  207    HG   SER  30           HG       SER  30 -10.762   0.456 -10.567
  208    CH2  TRP  31           CH2      TRP  31  -3.068   1.331  -6.383
  209    H    TRP  31           HN       TRP  31  -9.560  -1.150  -6.184
  210    HA   TRP  31           HA       TRP  31  -7.890  -2.987  -7.823
  211   1HB   TRP  31           HBS      TRP  31  -7.188  -2.517  -4.979
  212   2HB   TRP  31           HBR      TRP  31  -6.155  -2.843  -6.400
  213    HD1  TRP  31           HD1      TRP  31  -8.497   0.193  -5.633
  214    HE1  TRP  31           HE1      TRP  31  -7.081   2.336  -5.701
  215    HE3  TRP  31           HE3      TRP  31  -3.958  -1.939  -6.488
  216    HZ2  TRP  31           HZ2      TRP  31  -4.391   3.007  -6.127
  217    HZ3  TRP  31           HZ3      TRP  31  -1.985  -0.490  -6.598
  218    HH2  TRP  31           HH2      TRP  31  -2.186   1.935  -6.440
  219    H    HIS  32           HN       ZHI  32  -7.280  -4.974  -6.396
  220    HA   HIS  32           HA       ZHI  32  -9.670  -5.975  -4.938
  221   1HB   HIS  32           HBS      ZHI  32  -7.236  -7.397  -6.054
  222   2HB   HIS  32           HBR      ZHI  32  -8.184  -8.100  -4.713
  223    HD2  HIS  32           HD2      ZHI  32 -10.986  -8.478  -5.428
  224    HE1  HIS  32           HE1      ZHI  32 -10.080  -8.988  -9.503
  225    HE2  HIS  32           HE2      ZHI  32 -11.758  -9.475  -7.688
  226    H    LYS  33           HN       LYS  33  -9.357  -6.832  -2.823
  227    HA   LYS  33           HA       LYS  33  -7.638  -5.508  -1.022
  228   1HB   LYS  33           HBS      LYS  33  -9.328  -7.946  -0.967
  229   2HB   LYS  33           HBR      LYS  33  -7.976  -7.899   0.203
  230   1HG   LYS  33           HGR      LYS  33  -8.832  -6.002   1.297
  231   2HG   LYS  33           HGS      LYS  33  -9.896  -5.576  -0.072
  232   1HD   LYS  33           HDS      LYS  33 -11.568  -6.767   0.710
  233   2HD   LYS  33           HDR      LYS  33 -10.564  -8.183   0.861
  234   1HE   LYS  33           HES      LYS  33 -11.664  -7.391   2.979
  235   2HE   LYS  33           HER      LYS  33  -9.901  -7.673   3.039
  236   1HZ   LYS  33           HZA      LYS  33 -10.572  -5.017   2.312
  237   2HZ   LYS  33           HZB      LYS  33 -11.168  -5.414   3.780
  238   3HZ   LYS  33           HZC      LYS  33  -9.568  -5.553   3.483
  239    H    SER  34           HN       SER  34  -7.291  -8.664  -2.668
  240    HA   SER  34           HA       SER  34  -4.525  -8.862  -1.739
  241   1HB   SER  34           HBR      SER  34  -6.160 -10.794  -1.796
  242   2HB   SER  34           HBS      SER  34  -5.976 -10.772  -3.573
  243    HG   SER  34           HG       SER  34  -3.597 -10.738  -3.136
  244    H    CYS  35           HN       CYS  35  -5.621  -6.894  -3.869
  245    HA   CYS  35           HA       CYS  35  -3.226  -7.287  -5.599
  246   1HB   CYS  35           HBS      CYS  35  -5.939  -6.159  -6.212
  247   2HB   CYS  35           HBR      CYS  35  -4.495  -5.583  -7.093
  248    H    PHE  36           HN       PHE  36  -5.016  -5.265  -3.404
  249    HA   PHE  36           HA       PHE  36  -3.630  -2.867  -3.633
  250   1HB   PHE  36           HBR      PHE  36  -5.526  -3.766  -1.871
  251   2HB   PHE  36           HBS      PHE  36  -4.080  -3.705  -0.821
  252    HD1  PHE  36           HD2      PHE  36  -2.624  -1.320  -1.709
  253    HD2  PHE  36           HD1      PHE  36  -6.820  -2.017  -1.473
  254    HE1  PHE  36           HE2      PHE  36  -2.985   1.068  -1.169
  255    HE2  PHE  36           HE1      PHE  36  -7.217   0.375  -1.103
  256    HZ   PHE  36           HZ       PHE  36  -5.301   1.918  -0.921
  257    NH1  ARG  37           NH1      ARG  37   2.946  -1.311  -7.902
  258    NH2  ARG  37           NH2      ARG  37   1.622   0.503  -7.418
  259    H    ARG  37           HN       ARG  37  -1.602  -2.353  -3.530
  260    HA   ARG  37           HA       ARG  37   0.271  -3.913  -1.875
  261   1HB   ARG  37           HBR      ARG  37   1.861  -4.117  -3.785
  262   2HB   ARG  37           HBS      ARG  37   0.415  -5.163  -3.900
  263   1HG   ARG  37           HGS      ARG  37   0.288  -4.426  -6.012
  264   2HG   ARG  37           HGR      ARG  37  -0.379  -2.933  -5.292
  265   1HD   ARG  37           HDS      ARG  37   2.410  -2.728  -5.089
  266   2HD   ARG  37           HDR      ARG  37   2.072  -3.353  -6.728
  267    HE   ARG  37           HE       ARG  37   0.440  -1.072  -5.910
  268   1HH1  ARG  37           HH1      ARG  37   3.196  -2.267  -7.756
  269   2HH1  ARG  37           HH1      ARG  37   3.439  -0.762  -8.576
  270   1HH2  ARG  37           HH2      ARG  37   0.869   0.918  -6.907
  271   2HH2  ARG  37           HH2      ARG  37   2.122   1.041  -8.098
  272    H    CYS  38           HN       CYS  38   1.465  -2.531  -0.818
  273    HA   CYS  38           HA       CYS  38   1.983   0.187  -1.435
  274   1HB   CYS  38           HBS      CYS  38   2.370  -1.056   0.726
  275   2HB   CYS  38           HBR      CYS  38   3.852  -1.714  -0.010
  276    H    ALA  39           HN       ALA  39   2.666   0.785  -3.368
  277    HA   ALA  39           HA       ALA  39   4.976  -0.483  -4.624
  278   1HB   ALA  39           HMB      ALA  39   2.817   1.071  -5.479
  279   2HB   ALA  39           HMB      ALA  39   4.251   2.111  -5.686
  280   3HB   ALA  39           HMB      ALA  39   4.200   0.500  -6.448
  281    H    LYS  40           HN       LYS  40   4.975   1.041  -1.907
  282    HA   LYS  40           HA       LYS  40   7.364   2.695  -2.473
  283   1HB   LYS  40           HBR      LYS  40   5.289   2.990  -0.670
  284   2HB   LYS  40           HBS      LYS  40   6.602   2.306   0.332
  285   1HG   LYS  40           HGR      LYS  40   7.966   4.222  -1.052
  286   2HG   LYS  40           HGS      LYS  40   6.351   4.979  -0.938
  287   1HD   LYS  40           HDS      LYS  40   7.084   5.743   1.011
  288   2HD   LYS  40           HDR      LYS  40   6.570   4.174   1.568
  289   1HE   LYS  40           HES      LYS  40   9.210   3.832   0.637
  290   2HE   LYS  40           HER      LYS  40   9.170   5.325   1.618
  291   1HZ   LYS  40           HZC      LYS  40   7.915   3.904   3.259
  292   2HZ   LYS  40           HZA      LYS  40   8.450   2.608   2.422
  293   3HZ   LYS  40           HZB      LYS  40   9.518   3.629   3.116
  294    H    CYS  41           HN       CYS  41   6.514   0.375   0.119
  295    HA   CYS  41           HA       CYS  41   9.353  -0.358   0.345
  296   1HB   CYS  41           HBS      CYS  41   8.765  -1.633   2.267
  297   2HB   CYS  41           HBR      CYS  41   8.104   0.018   2.380
  298    H    GLY  42           HN       GLY  42   6.371  -1.572  -1.022
  299   1HA   GLY  42           HAS      GLY  42   6.732  -2.767  -3.178
  300   2HA   GLY  42           HAR      GLY  42   8.033  -3.672  -2.360
  301    H    LYS  43           HN       LYS  43   6.216  -3.522   0.148
  302    HA   LYS  43           HA       LYS  43   5.316  -6.209  -0.154
  303   1HB   LYS  43           HBR      LYS  43   5.548  -4.233   1.998
  304   2HB   LYS  43           HBS      LYS  43   4.110  -5.282   2.154
  305   1HG   LYS  43           HGR      LYS  43   7.024  -6.131   1.993
  306   2HG   LYS  43           HGS      LYS  43   5.906  -6.307   3.376
  307   1HD   LYS  43           HDS      LYS  43   5.155  -8.237   2.653
  308   2HD   LYS  43           HDR      LYS  43   4.743  -7.551   1.106
  309   1HE   LYS  43           HES      LYS  43   7.296  -8.893   1.920
  310   2HE   LYS  43           HER      LYS  43   6.183  -9.268   0.574
  311   1HZ   LYS  43           HZC      LYS  43   7.017  -6.717   0.150
  312   2HZ   LYS  43           HZA      LYS  43   8.371  -7.497   0.626
  313   3HZ   LYS  43           HZB      LYS  43   7.518  -8.049  -0.652
  314    H    SER  44           HN       SER  44   3.422  -7.027  -0.687
  315    HA   SER  44           HA       SER  44   1.070  -5.408  -1.271
  316   1HB   SER  44           HBS      SER  44   1.819  -8.264  -1.399
  317   2HB   SER  44           HBR      SER  44   0.109  -7.924  -1.006
  318    HG   SER  44           HG       SER  44  -0.041  -7.934  -3.084
  319    H    LEU  45           HN       LEU  45  -0.710  -5.147  -0.017
  320    HA   LEU  45           HA       LEU  45  -1.280  -6.724   2.206
  321   1HB   LEU  45           HBR      LEU  45  -1.177  -4.833   3.958
  322   2HB   LEU  45           HBS      LEU  45   0.283  -5.784   3.579
  323    HG   LEU  45           HG       LEU  45   1.100  -3.886   2.184
  324   1HD1  LEU  45           HMD      LEU  45  -1.505  -2.975   2.300
  325   2HD1  LEU  45           HMD      LEU  45  -0.658  -1.943   3.477
  326   3HD1  LEU  45           HMD      LEU  45  -0.075  -2.039   1.796
  327   1HD2  LEU  45           HMD      LEU  45   0.908  -4.207   5.009
  328   2HD2  LEU  45           HMD      LEU  45   2.167  -3.369   4.069
  329   3HD2  LEU  45           HMD      LEU  45   0.747  -2.468   4.654
  330    H    GLU  46           HN       GLU  46  -2.962  -5.191   3.671
  331    HA   GLU  46           HA       GLU  46  -5.021  -4.049   2.006
  332   1HB   GLU  46           HBS      GLU  46  -6.314  -5.928   1.651
  333   2HB   GLU  46           HBR      GLU  46  -4.827  -6.199   0.922
  334   1HG   GLU  46           HGS      GLU  46  -6.006  -7.374   3.446
  335   2HG   GLU  46           HGR      GLU  46  -5.473  -8.320   2.030
  336    H    SER  47           HN       SER  47  -7.217  -5.330   3.202
  337    HA   SER  47           HA       SER  47  -8.464  -5.581   5.089
  338   1HB   SER  47           HBR      SER  47  -5.854  -6.406   5.938
  339   2HB   SER  47           HBS      SER  47  -6.632  -5.456   7.237
  340    HG   SER  47           HG       SER  47  -7.137  -7.577   7.535
  341    H    THR  48           HN       THR  48  -5.917  -3.834   6.803
  342    HA   THR  48           HA       THR  48  -7.391  -1.288   6.645
  343    HB   THR  48           HB       THR  48  -7.124  -1.470   9.385
  344    HG1  THR  48           HG1      THR  48  -7.244  -3.170  10.003
  345   1HG2  THR  48           HMG      THR  48  -9.160  -0.796   8.028
  346   2HG2  THR  48           HMG      THR  48  -9.609  -2.521   8.025
  347   3HG2  THR  48           HMG      THR  48  -9.473  -1.638   9.567
  348    H    THR  49           HN       THR  49  -4.683  -2.576   6.068
  349    HA   THR  49           HA       THR  49  -2.997  -0.876   7.842
  350    HB   THR  49           HB       THR  49  -1.862  -3.381   6.569
  351    HG1  THR  49           HG1      THR  49  -2.732  -4.551   7.682
  352   1HG2  THR  49           HMG      THR  49  -1.267  -1.660   8.924
  353   2HG2  THR  49           HMG      THR  49  -0.907  -3.400   9.061
  354   3HG2  THR  49           HMG      THR  49  -0.168  -2.438   7.757
  355    H    LEU  50           HN       LEU  50  -4.143   0.102   5.510
  356    HA   LEU  50           HA       LEU  50  -1.698   0.554   3.879
  357   1HB   LEU  50           HBR      LEU  50  -3.049   0.301   1.870
  358   2HB   LEU  50           HBS      LEU  50  -3.028  -1.191   2.853
  359    HG   LEU  50           HG       LEU  50  -5.310  -0.479   3.716
  360   1HD1  LEU  50           HMD      LEU  50  -4.695   1.739   1.932
  361   2HD1  LEU  50           HMD      LEU  50  -6.210   0.922   1.475
  362   3HD1  LEU  50           HMD      LEU  50  -6.005   1.561   3.125
  363   1HD2  LEU  50           HMD      LEU  50  -4.498  -1.482   1.045
  364   2HD2  LEU  50           HMD      LEU  50  -5.507  -2.239   2.305
  365   3HD2  LEU  50           HMD      LEU  50  -6.210  -1.016   1.215
  366    H    ALA  51           HN       ALA  51  -2.041   2.417   2.355
  367    HA   ALA  51           HA       ALA  51  -4.079   4.359   3.160
  368   1HB   ALA  51           HMB      ALA  51  -1.114   4.912   3.431
  369   2HB   ALA  51           HMB      ALA  51  -2.373   6.171   3.379
  370   3HB   ALA  51           HMB      ALA  51  -2.365   4.976   4.699
  371    H    ASP  52           HN       ASP  52  -4.939   5.041   1.364
  372    HA   ASP  52           HA       ASP  52  -3.194   5.365  -1.011
  373   1HB   ASP  52           HBR      ASP  52  -5.251   4.875  -2.339
  374   2HB   ASP  52           HBS      ASP  52  -4.561   3.519  -1.403
  375    H    LYS  53           HN       LYS  53  -3.471   7.066  -2.384
  376    HA   LYS  53           HA       LYS  53  -5.658   8.758  -2.489
  377   1HB   LYS  53           HBS      LYS  53  -4.356   9.364  -0.148
  378   2HB   LYS  53           HBR      LYS  53  -3.619  10.517  -1.297
  379   1HG   LYS  53           HGR      LYS  53  -5.388  11.829  -0.827
  380   2HG   LYS  53           HGS      LYS  53  -6.302  10.729  -1.899
  381   1HD   LYS  53           HDS      LYS  53  -6.505   9.338   0.365
  382   2HD   LYS  53           HDR      LYS  53  -6.264  10.916   1.064
  383   1HE   LYS  53           HES      LYS  53  -8.363  11.481   0.706
  384   2HE   LYS  53           HER      LYS  53  -8.171  11.153  -1.040
  385   1HZ   LYS  53           HZA      LYS  53  -8.385   8.717  -0.130
  386   2HZ   LYS  53           HZB      LYS  53  -9.253   9.464   1.034
  387   3HZ   LYS  53           HZC      LYS  53  -9.693   9.611  -0.531
  388    H    ASP  54           HN       ASP  54  -5.322  10.607  -3.878
  389    HA   ASP  54           HA       ASP  54  -4.521  11.533  -5.790
  390   1HB   ASP  54           HBR      ASP  54  -2.445  12.552  -5.586
  391   2HB   ASP  54           HBS      ASP  54  -3.101  12.414  -3.930
  392    H    GLY  55           HN       GLY  55  -4.575   8.524  -5.593
  393   1HA   GLY  55           HAR      GLY  55  -4.721   7.297  -7.598
  394   2HA   GLY  55           HAS      GLY  55  -3.381   8.257  -8.280
  395    H    GLU  56           HN       GLU  56  -1.945   7.856  -5.597
  396    HA   GLU  56           HA       GLU  56  -0.982   5.082  -6.119
  397   1HB   GLU  56           HBR      GLU  56   1.273   5.937  -5.528
  398   2HB   GLU  56           HBS      GLU  56   0.645   6.361  -7.026
  399   1HG   GLU  56           HGS      GLU  56   1.031   8.483  -6.711
  400   2HG   GLU  56           HGR      GLU  56  -0.177   8.538  -5.399
  401    H    ILE  57           HN       ILE  57   0.560   4.575  -4.120
  402    HA   ILE  57           HA       ILE  57  -0.903   5.131  -1.614
  403    HB   ILE  57           HB       ILE  57  -1.699   2.817  -1.441
  404   1HG1  ILE  57           HG1      ILE  57  -0.611   2.404  -4.255
  405   2HG1  ILE  57           HG1      ILE  57   0.143   1.795  -2.754
  406   1HG2  ILE  57           HMG      ILE  57  -3.058   4.608  -2.638
  407   2HG2  ILE  57           HMG      ILE  57  -2.609   3.773  -4.149
  408   3HG2  ILE  57           HMG      ILE  57  -3.534   2.908  -2.892
  409   1HD1  ILE  57           HMD      ILE  57  -2.699   1.060  -3.366
  410   2HD1  ILE  57           HMD      ILE  57  -1.372   0.239  -4.230
  411   3HD1  ILE  57           HMD      ILE  57  -1.455   0.168  -2.450
  412    OH   TYR  58           OH       TYR  58   2.321   9.497   2.532
  413    H    TYR  58           HN       TYR  58   0.230   4.666   0.162
  414    HA   TYR  58           HA       TYR  58   2.112   2.471   0.016
  415   1HB   TYR  58           HBS      TYR  58   3.765   3.599   1.573
  416   2HB   TYR  58           HBR      TYR  58   3.775   4.186  -0.114
  417    HD1  TYR  58           HD1      TYR  58   2.618   5.041   3.339
  418    HD2  TYR  58           HD2      TYR  58   3.318   6.452  -0.612
  419    HE1  TYR  58           HE1      TYR  58   2.138   7.335   4.079
  420    HE2  TYR  58           HE2      TYR  58   2.906   8.755   0.129
  421    HH   TYR  58           HH       TYR  58   1.239   9.615   2.482
  422    H    CYS  59           HN       CYS  59   2.801   2.087   2.513
  423    HA   CYS  59           HA       CYS  59   0.046   1.340   3.174
  424   1HB   CYS  59           HBR      CYS  59   0.730  -0.800   3.532
  425   2HB   CYS  59           HBS      CYS  59   1.500  -0.212   2.041
  426    H    LYS  60           HN       LYS  60  -0.501   0.360   5.208
  427    HA   LYS  60           HA       LYS  60   0.615   1.894   7.507
  428   1HB   LYS  60           HBS      LYS  60  -2.050   1.163   6.889
  429   2HB   LYS  60           HBR      LYS  60  -1.516   0.080   8.205
  430   1HG   LYS  60           HGR      LYS  60  -0.892   2.021   9.570
  431   2HG   LYS  60           HGS      LYS  60  -1.378   3.120   8.247
  432   1HD   LYS  60           HDS      LYS  60  -3.511   3.043   8.792
  433   2HD   LYS  60           HDR      LYS  60  -3.504   1.303   8.867
  434   1HE   LYS  60           HES      LYS  60  -2.279   1.689  11.163
  435   2HE   LYS  60           HER      LYS  60  -3.080   3.280  11.036
  436   1HZ   LYS  60           HZB      LYS  60  -5.160   2.098  10.741
  437   2HZ   LYS  60           HZC      LYS  60  -4.410   0.661  10.932
  438   3HZ   LYS  60           HZA      LYS  60  -4.467   1.723  12.171
  439    H    GLY  61           HN       GLY  61   0.829  -0.986   5.746
  440   1HA   GLY  61           HAS      GLY  61   2.214  -2.662   7.567
  441   2HA   GLY  61           HAR      GLY  61   2.618  -2.434   5.866
  442    H    CYS  62           HN       CYS  62   2.724   0.585   6.470
  443    HA   CYS  62           HA       CYS  62   5.613   0.510   6.890
  444   1HB   CYS  62           HBS      CYS  62   3.696   1.623   5.039
  445   2HB   CYS  62           HBR      CYS  62   4.726   2.919   5.713
  446    OH   TYR  63           OH       TYR  63   2.308   9.082   6.143
  447    H    TYR  63           HN       TYR  63   2.914   2.789   7.335
  448    HA   TYR  63           HA       TYR  63   3.985   4.339   9.416
  449   1HB   TYR  63           HBR      TYR  63   1.165   3.561   8.654
  450   2HB   TYR  63           HBS      TYR  63   1.495   4.541  10.110
  451    HD1  TYR  63           HD1      TYR  63   3.015   4.628   6.666
  452    HD2  TYR  63           HD2      TYR  63   0.863   6.723   9.678
  453    HE1  TYR  63           HE1      TYR  63   3.239   6.706   5.373
  454    HE2  TYR  63           HE2      TYR  63   1.061   8.799   8.387
  455    HH   TYR  63           HH       TYR  63   2.503   8.779   5.116
  456    H    ALA  64           HN       ALA  64   2.962   1.040   9.394
  457    HA   ALA  64           HA       ALA  64   3.182   0.820  12.321
  458   1HB   ALA  64           HMB      ALA  64   1.610  -0.576  10.964
  459   2HB   ALA  64           HMB      ALA  64   3.029  -1.382  10.250
  460   3HB   ALA  64           HMB      ALA  64   2.729  -1.495  12.002
  461    H    LYS  65           HN       LYS  65   4.849  -0.737   9.549
  462    HA   LYS  65           HA       LYS  65   6.728  -2.006  11.136
  463   1HB   LYS  65           HBS      LYS  65   6.234  -2.624   8.808
  464   2HB   LYS  65           HBR      LYS  65   7.078  -1.154   8.242
  465   1HG   LYS  65           HGR      LYS  65   9.056  -2.223   9.715
  466   2HG   LYS  65           HGS      LYS  65   8.181  -3.725   9.297
  467   1HD   LYS  65           HDS      LYS  65   9.068  -3.753   7.296
  468   2HD   LYS  65           HDR      LYS  65   8.339  -2.210   6.944
  469   1HE   LYS  65           HES      LYS  65  10.340  -1.301   6.800
  470   2HE   LYS  65           HER      LYS  65  10.558  -1.623   8.544
  471   1HZ   LYS  65           HZB      LYS  65  11.219  -3.492   6.373
  472   2HZ   LYS  65           HZC      LYS  65  12.296  -2.604   7.221
  473   3HZ   LYS  65           HZA      LYS  65  11.431  -3.771   7.968
  474    H    ASN  66           HN       ASN  66   7.055   1.070   9.353
  475    HA   ASN  66           HA       ASN  66   9.706   1.447  10.509
  476   1HB   ASN  66           HBR      ASN  66  10.042   3.157   8.946
  477   2HB   ASN  66           HBS      ASN  66   9.218   1.814   8.100
  478   1HD2  ASN  66           HD2      ASN  66   7.281   5.414   8.730
  479   2HD2  ASN  66           HD2      ASN  66   8.547   4.908   9.798
  480    H    PHE  67           HN       PHE  67   7.364   1.507  12.234
  481    HA   PHE  67           HA       PHE  67   8.114   4.071  13.521
  482   1HB   PHE  67           HBR      PHE  67   5.351   3.059  13.089
  483   2HB   PHE  67           HBS      PHE  67   5.736   3.560  14.761
  484    HD1  PHE  67           HD1      PHE  67   6.363   5.764  15.285
  485    HD2  PHE  67           HD2      PHE  67   5.329   4.787  11.269
  486    HE1  PHE  67           HE1      PHE  67   6.070   8.152  14.802
  487    HE2  PHE  67           HE2      PHE  67   5.031   7.188  10.755
  488    HZ   PHE  67           HZ       PHE  67   5.346   8.864  12.555
  489    H    GLY  68           HN       GLY  68   9.779   2.891  14.503
  490   1HA   GLY  68           HAS      GLY  68   9.773   2.029  16.973
  491   2HA   GLY  68           HAR      GLY  68   9.062   0.574  16.221
  492    HA   PRO  69           HA       PRO  69  12.793  -1.219  15.446
  493   1HB   PRO  69           HBR      PRO  69  12.502  -1.918  12.793
  494   2HB   PRO  69           HBS      PRO  69  12.304  -2.884  14.105
  495   1HG   PRO  69           HGS      PRO  69  10.352  -1.752  12.519
  496   2HG   PRO  69           HGR      PRO  69  10.169  -2.917  13.699
  497   1HD   PRO  69           HDS      PRO  69   9.349  -0.385  13.927
  498   2HD   PRO  69           HDR      PRO  69   9.565  -1.423  15.196
  499    H    LYS  70           HN       LYS  70  14.737  -1.555  13.877
  500    HA   LYS  70           HA       LYS  70  15.484   1.169  12.915
  501   1HB   LYS  70           HBS      LYS  70  17.005   0.259  14.623
  502   2HB   LYS  70           HBR      LYS  70  17.278  -1.182  13.603
  503   1HG   LYS  70           HGR      LYS  70  18.268   0.238  11.853
  504   2HG   LYS  70           HGS      LYS  70  17.983   1.686  12.861
  505   1HD   LYS  70           HDS      LYS  70  19.720   1.297  14.203
  506   2HD   LYS  70           HDR      LYS  70  19.444  -0.423  14.236
  507   1HE   LYS  70           HES      LYS  70  20.295   0.084  11.625
  508   2HE   LYS  70           HER      LYS  70  21.324   1.089  12.683
  509   1HZ   LYS  70           HZB      LYS  70  21.651  -0.964  14.008
  510   2HZ   LYS  70           HZC      LYS  70  20.929  -1.815  12.814
  511   3HZ   LYS  70           HZA      LYS  70  22.316  -1.007  12.516
  512    H    GLY  71           HN       GLY  71  16.829   1.176  10.967
  513   1HA   GLY  71           HAS      GLY  71  16.626  -1.234   9.254
  514   2HA   GLY  71           HAR      GLY  71  16.072   0.323   8.584
  515    H    PHE  72           HN       PHE  72  17.954  -0.621   7.143
  516    HA   PHE  72           HA       PHE  72  20.597  -0.612   8.091
  517   1HB   PHE  72           HBR      PHE  72  20.032   0.011   5.187
  518   2HB   PHE  72           HBS      PHE  72  21.324  -0.988   5.915
  519    HD1  PHE  72           HD1      PHE  72  20.344  -2.934   7.405
  520    HD2  PHE  72           HD2      PHE  72  18.323  -1.230   4.062
  521    HE1  PHE  72           HE1      PHE  72  19.104  -5.031   7.113
  522    HE2  PHE  72           HE2      PHE  72  17.058  -3.332   3.749
  523    HZ   PHE  72           HZ       PHE  72  17.505  -5.254   5.250
  524    H    GLY  73           HN       GLY  73  19.447   1.664   5.592
  525   1HA   GLY  73           HAR      GLY  73  19.834   4.178   6.281
  526   2HA   GLY  73           HAS      GLY  73  21.491   3.582   6.561
  527    H    PHE  74           HN       PHE  74  22.799   3.974   4.932
  528    HA   PHE  74           HA       PHE  74  21.699   4.008   2.177
  529   1HB   PHE  74           HBR      PHE  74  24.401   5.165   2.835
  530   2HB   PHE  74           HBS      PHE  74  23.212   5.645   1.589
  531    HD1  PHE  74           HD2      PHE  74  20.754   5.932   3.403
  532    HD2  PHE  74           HD1      PHE  74  24.808   7.183   3.803
  533    HE1  PHE  74           HE2      PHE  74  20.040   7.734   4.939
  534    HE2  PHE  74           HE1      PHE  74  24.126   8.977   5.332
  535    HZ   PHE  74           HZ       PHE  74  21.750   9.217   5.950
  536    H    GLY  75           HN       GLY  75  24.297   2.736   4.210
  537   1HA   GLY  75           HAR      GLY  75  25.025   0.390   3.132
  538   2HA   GLY  75           HAS      GLY  75  25.632   1.512   1.887
  539    H    GLN  76           HN       GLN  76  27.615   0.266   2.774
  540    HA   GLN  76           HA       GLN  76  28.698   1.641   5.177
  541   1HB   GLN  76           HBR      GLN  76  28.140  -0.826   5.369
  542   2HB   GLN  76           HBS      GLN  76  29.496  -1.116   4.242
  543   1HG   GLN  76           HGS      GLN  76  30.970   0.136   5.851
  544   2HG   GLN  76           HGR      GLN  76  29.602   0.131   6.999
  545   1HE2  GLN  76           HE2      GLN  76  29.996  -3.144   8.058
  546   2HE2  GLN  76           HE2      GLN  76  29.085  -1.672   8.113
  547    H    GLY  77           HN       GLY  77  30.064   3.131   4.581
  548   1HA   GLY  77           HAS      GLY  77  32.210   3.843   4.069
  549   2HA   GLY  77           HAR      GLY  77  32.530   2.259   3.314
  550    H    ALA  78           HN       ALA  78  33.475   4.511   2.124
  551    HA   ALA  78           HA       ALA  78  31.509   5.530   0.206
  552   1HB   ALA  78           HMB      ALA  78  33.533   6.686   1.613
  553   2HB   ALA  78           HMB      ALA  78  34.308   6.431   0.030
  554   3HB   ALA  78           HMB      ALA  78  32.793   7.361   0.140
  555    H    GLY  79           HN       GLY  79  34.900   4.387  -0.064
  556   1HA   GLY  79           HAR      GLY  79  34.743   2.541  -2.138
  557   2HA   GLY  79           HAS      GLY  79  34.652   4.137  -2.929
  558    H    ALA  80           HN       ALA  80  36.760   2.413  -3.392
  559    HA   ALA  80           HA       ALA  80  39.039   2.476  -3.634
  560   1HB   ALA  80           HMB      ALA  80  38.633   4.976  -3.802
  561   2HB   ALA  80           HMB      ALA  80  39.059   5.063  -2.074
  562   3HB   ALA  80           HMB      ALA  80  40.248   4.458  -3.255
  563    H    LEU  81           HN       LEU  81  39.911   0.905  -2.518
  564    HA   LEU  81           HA       LEU  81  40.580   1.277   0.292
  565   1HB   LEU  81           HBS      LEU  81  38.266   0.467   0.370
  566   2HB   LEU  81           HBR      LEU  81  38.740  -0.972  -0.579
  567    HG   LEU  81           HG       LEU  81  40.162  -1.722   1.262
  568   1HD1  LEU  81           HMD      LEU  81  40.273   0.822   2.098
  569   2HD1  LEU  81           HMD      LEU  81  38.932   0.254   3.125
  570   3HD1  LEU  81           HMD      LEU  81  40.515  -0.561   3.193
  571   1HD2  LEU  81           HMD      LEU  81  37.250  -1.089   1.731
  572   2HD2  LEU  81           HMD      LEU  81  38.007  -2.632   1.260
  573   3HD2  LEU  81           HMD      LEU  81  38.200  -2.015   2.921
  574    H    ILE  82           HN       ILE  82  40.149  -1.706  -1.595
  575    HA   ILE  82           HA       ILE  82  41.608  -3.318  -2.263
  576    HB   ILE  82           HB       ILE  82  43.349  -2.539  -3.744
  577   1HG1  ILE  82           HG1      ILE  82  43.011   0.349  -2.978
  578   2HG1  ILE  82           HG1      ILE  82  44.030  -0.701  -1.954
  579   1HG2  ILE  82           HMG      ILE  82  40.665  -1.588  -3.866
  580   2HG2  ILE  82           HMG      ILE  82  41.745  -0.358  -4.574
  581   3HG2  ILE  82           HMG      ILE  82  41.773  -2.031  -5.192
  582   1HD1  ILE  82           HMD      ILE  82  44.398  -0.230  -4.928
  583   2HD1  ILE  82           HMD      ILE  82  45.353   0.516  -3.619
  584   3HD1  ILE  82           HMD      ILE  82  45.427  -1.247  -3.884
  585    H    HIS  83           HN       HIS  83  41.772  -2.921   0.474
  586    HA   HIS  83           HA       HIS  83  43.078  -3.624   2.236
  587   1HB   HIS  83           HBR      HIS  83  44.540  -4.769   0.137
  588   2HB   HIS  83           HBS      HIS  83  45.722  -3.730   0.983
  589    HD1  HIS  83           HD1      HIS  83  45.314  -7.068   1.038
  590    HD2  HIS  83           HD2      HIS  83  44.638  -4.257   4.036
  591    HE1  HIS  83           HE1      HIS  83  45.595  -8.276   3.215
  592    HE2  HIS  83           HE2      HIS  83  45.210  -6.575   5.034
  593    H    SER  84           HN       SER  84  45.593  -2.060   0.261
  594    HA   SER  84           HA       SER  84  45.756   0.046   2.360
  595   1HB   SER  84           HBS      SER  84  47.570  -1.928   1.933
  596   2HB   SER  84           HBR      SER  84  48.219  -0.637   0.882
  597    HG   SER  84           HG       SER  84  48.566  -1.004   3.451
  598    H    GLN  85           HN       GLN  85  47.107   1.943   1.607
  599    HA   GLN  85           HA       GLN  85  45.587   3.019  -0.598
  600   1HB   GLN  85           HBR      GLN  85  46.615   5.163  -0.024
  601   2HB   GLN  85           HBS      GLN  85  45.858   4.355   1.379
  602   1HG   GLN  85           HGS      GLN  85  48.104   3.574   2.085
  603   2HG   GLN  85           HGR      GLN  85  48.817   4.503   0.734
  604   1HE2  GLN  85           HE2      GLN  85  48.180   7.700   2.170
  605   2HE2  GLN  85           HE2      GLN  85  48.236   6.842   0.667
   
  Start of MODEL          16
 Raw file had  605 H/Q atoms
  Start of MODEL   16
    1   1H    MET   1           HN       MET   1 -26.257  -2.068 -15.580
    2   2H    MET   1           HNB      MET   1 -26.392  -2.064 -13.952
    3   3H    MET   1           HNC      MET   1 -27.517  -2.821 -14.864
    4    HA   MET   1           HA       MET   1 -28.647  -1.029 -15.344
    5   1HB   MET   1           HBR      MET   1 -27.190  -0.639 -12.799
    6   2HB   MET   1           HBS      MET   1 -27.911   0.837 -13.502
    7   1HG   MET   1           HGS      MET   1 -30.098  -0.388 -13.696
    8   2HG   MET   1           HGR      MET   1 -29.343  -1.773 -12.872
    9   1HE   MET   1           HME      MET   1 -31.438   0.764 -12.756
   10   2HE   MET   1           HME      MET   1 -31.883   0.710 -11.031
   11   3HE   MET   1           HME      MET   1 -30.936   2.080 -11.664
   12    H    ALA   2           HN       ALA   2 -25.743   0.695 -14.222
   13    HA   ALA   2           HA       ALA   2 -24.808   1.288 -16.847
   14   1HB   ALA   2           HMB      ALA   2 -26.846   3.030 -15.903
   15   2HB   ALA   2           HMB      ALA   2 -25.302   3.915 -15.849
   16   3HB   ALA   2           HMB      ALA   2 -25.846   3.166 -17.371
   17    H    GLN   3           HN       GLN   3 -24.986   2.432 -13.471
   18    HA   GLN   3           HA       GLN   3 -22.035   2.800 -13.516
   19   1HB   GLN   3           HBS      GLN   3 -23.792   4.868 -13.503
   20   2HB   GLN   3           HBR      GLN   3 -23.574   4.593 -11.751
   21   1HG   GLN   3           HGS      GLN   3 -21.010   4.490 -12.993
   22   2HG   GLN   3           HGR      GLN   3 -21.859   5.943 -13.591
   23   1HE2  GLN   3           HE2      GLN   3 -21.926   7.639 -10.516
   24   2HE2  GLN   3           HE2      GLN   3 -22.706   7.446 -12.049
   25    H    LYS   4           HN       LYS   4 -20.917   2.018 -11.885
   26    HA   LYS   4           HA       LYS   4 -20.350   1.135  -9.848
   27   1HB   LYS   4           HBS      LYS   4 -21.498   3.122  -8.942
   28   2HB   LYS   4           HBR      LYS   4 -23.038   2.216  -8.940
   29   1HG   LYS   4           HGR      LYS   4 -21.951   2.325  -6.699
   30   2HG   LYS   4           HGS      LYS   4 -22.173   0.656  -7.295
   31   1HD   LYS   4           HDS      LYS   4 -19.847   0.569  -7.995
   32   2HD   LYS   4           HDR      LYS   4 -19.613   2.221  -7.495
   33   1HE   LYS   4           HES      LYS   4 -20.355   1.446  -5.157
   34   2HE   LYS   4           HER      LYS   4 -20.048  -0.195  -5.792
   35   1HZ   LYS   4           HZB      LYS   4 -18.048   1.939  -5.953
   36   2HZ   LYS   4           HZC      LYS   4 -18.158   0.953  -4.656
   37   3HZ   LYS   4           HZA      LYS   4 -17.826   0.331  -6.129
   38    H    VAL   5           HN       VAL   5 -23.887   0.754  -9.599
   39    HA   VAL   5           HA       VAL   5 -23.403  -2.113  -9.083
   40    HB   VAL   5           HB       VAL   5 -25.657  -1.983  -7.994
   41   1HG1  VAL   5           HMG      VAL   5 -23.169  -1.354  -7.002
   42   2HG1  VAL   5           HMG      VAL   5 -24.166   0.019  -6.462
   43   3HG1  VAL   5           HMG      VAL   5 -24.637  -1.645  -6.039
   44   1HG2  VAL   5           HMG      VAL   5 -25.908   0.429  -9.284
   45   2HG2  VAL   5           HMG      VAL   5 -26.926  -0.156  -7.946
   46   3HG2  VAL   5           HMG      VAL   5 -25.544   0.915  -7.610
   47    H    GLY   6           HN       GLY   6 -23.503  -3.211 -10.909
   48   1HA   GLY   6           HAR      GLY   6 -25.951  -3.437 -12.455
   49   2HA   GLY   6           HAS      GLY   6 -24.702  -2.459 -13.271
   50    H    GLY   7           HN       GLY   7 -22.376  -3.663 -12.594
   51   1HA   GLY   7           HAS      GLY   7 -22.577  -6.577 -12.886
   52   2HA   GLY   7           HAR      GLY   7 -21.787  -5.727 -14.241
   53    H    SER   8           HN       SER   8 -21.749  -5.988 -10.674
   54    HA   SER   8           HA       SER   8 -20.042  -6.328  -9.207
   55   1HB   SER   8           HBS      SER   8 -18.995  -7.377 -11.796
   56   2HB   SER   8           HBR      SER   8 -17.861  -7.213 -10.424
   57    HG   SER   8           HG       SER   8 -18.530  -9.110  -9.956
   58    H    ASP   9           HN       ASP   9 -17.632  -5.808  -8.777
   59    HA   ASP   9           HA       ASP   9 -16.880  -3.280 -10.110
   60   1HB   ASP   9           HBR      ASP   9 -15.744  -2.541  -8.052
   61   2HB   ASP   9           HBS      ASP   9 -17.527  -2.588  -7.945
   62    H    GLY  10           HN       GLY  10 -14.928  -3.214 -10.963
   63   1HA   GLY  10           HAS      GLY  10 -13.564  -5.861 -11.006
   64   2HA   GLY  10           HAR      GLY  10 -13.847  -4.804 -12.415
   65    H    CYS  11           HN       CYS  11 -11.377  -5.667 -12.195
   66    HA   CYS  11           HA       CYS  11  -9.820  -3.843 -10.448
   67   1HB   CYS  11           HBS      CYS  11 -10.091  -6.314  -9.909
   68   2HB   CYS  11           HBR      CYS  11  -9.102  -6.628 -11.362
   69    HA   PRO  12           HA       PRO  12  -7.747  -2.537 -14.152
   70   1HB   PRO  12           HBR      PRO  12  -6.345  -0.675 -12.777
   71   2HB   PRO  12           HBS      PRO  12  -7.693  -0.397 -13.672
   72   1HG   PRO  12           HGS      PRO  12  -7.451  -0.506 -10.898
   73   2HG   PRO  12           HGR      PRO  12  -8.662   0.194 -11.808
   74   1HD   PRO  12           HDS      PRO  12  -8.914  -2.098 -10.464
   75   2HD   PRO  12           HDR      PRO  12  -9.909  -1.616 -11.695
   76    NH1  ARG  13           NH1      ARG  13  -0.190  -5.821 -11.197
   77    NH2  ARG  13           NH2      ARG  13  -0.585  -5.247 -13.386
   78    H    ARG  13           HN       ARG  13  -6.711  -4.102 -11.472
   79    HA   ARG  13           HA       ARG  13  -3.895  -4.074 -12.206
   80   1HB   ARG  13           HBR      ARG  13  -4.951  -4.134  -9.831
   81   2HB   ARG  13           HBS      ARG  13  -5.112  -5.889 -10.132
   82   1HG   ARG  13           HGS      ARG  13  -3.071  -5.300  -8.856
   83   2HG   ARG  13           HGR      ARG  13  -2.718  -6.110 -10.410
   84   1HD   ARG  13           HDS      ARG  13  -2.814  -3.126 -10.261
   85   2HD   ARG  13           HDR      ARG  13  -1.377  -4.006  -9.672
   86    HE   ARG  13           HE       ARG  13  -2.118  -3.559 -12.408
   87   1HH1  ARG  13           HH1      ARG  13  -0.371  -5.704 -10.221
   88   2HH1  ARG  13           HH1      ARG  13   0.492  -6.485 -11.503
   89   1HH2  ARG  13           HH2      ARG  13  -1.067  -4.694 -14.065
   90   2HH2  ARG  13           HH2      ARG  13   0.099  -5.915 -13.678
   91    H    CYS  14           HN       CYS  14  -6.203  -6.752 -11.585
   92    HA   CYS  14           HA       CYS  14  -4.366  -8.526 -13.072
   93   1HB   CYS  14           HBR      CYS  14  -5.675 -10.360 -12.094
   94   2HB   CYS  14           HBS      CYS  14  -4.906  -9.291 -10.887
   95    H    GLY  15           HN       GLY  15  -7.446  -6.970 -13.323
   96   1HA   GLY  15           HAS      GLY  15  -8.790  -6.803 -15.211
   97   2HA   GLY  15           HAR      GLY  15  -7.886  -8.148 -15.956
   98    H    GLN  16           HN       GLN  16  -9.535  -8.031 -12.794
   99    HA   GLN  16           HA       GLN  16 -11.526  -9.981 -13.834
  100   1HB   GLN  16           HBS      GLN  16  -9.727 -10.216 -11.655
  101   2HB   GLN  16           HBR      GLN  16 -11.375 -10.064 -10.984
  102   1HG   GLN  16           HGS      GLN  16 -12.091 -11.881 -12.558
  103   2HG   GLN  16           HGR      GLN  16 -10.370 -12.103 -12.984
  104   1HE2  GLN  16           HE2      GLN  16  -9.997 -14.455 -10.506
  105   2HE2  GLN  16           HE2      GLN  16  -9.728 -13.930 -12.135
  106    H    ALA  17           HN       ALA  17 -13.622  -9.950 -12.875
  107    HA   ALA  17           HA       ALA  17 -14.367  -7.339 -11.641
  108   1HB   ALA  17           HMB      ALA  17 -15.325  -7.927 -13.972
  109   2HB   ALA  17           HMB      ALA  17 -16.323  -9.109 -13.089
  110   3HB   ALA  17           HMB      ALA  17 -16.435  -7.376 -12.691
  111    H    VAL  18           HN       VAL  18 -15.471  -7.404  -9.775
  112    HA   VAL  18           HA       VAL  18 -15.388 -10.060  -8.462
  113    HB   VAL  18           HB       VAL  18 -15.131  -7.412  -7.053
  114   1HG1  VAL  18           HMG      VAL  18 -14.408 -10.260  -6.412
  115   2HG1  VAL  18           HMG      VAL  18 -13.610  -8.896  -5.592
  116   3HG1  VAL  18           HMG      VAL  18 -15.375  -9.093  -5.477
  117   1HG2  VAL  18           HMG      VAL  18 -12.979  -8.880  -8.569
  118   2HG2  VAL  18           HMG      VAL  18 -13.439  -7.163  -8.653
  119   3HG2  VAL  18           HMG      VAL  18 -12.617  -7.795  -7.206
  120    OH   TYR  19           OH       TYR  19 -25.089 -12.291  -7.141
  121    H    TYR  19           HN       TYR  19 -16.995 -10.798  -7.230
  122    HA   TYR  19           HA       TYR  19 -19.587  -9.564  -7.891
  123   1HB   TYR  19           HBS      TYR  19 -19.103 -11.933  -8.490
  124   2HB   TYR  19           HBR      TYR  19 -18.977 -12.317  -6.750
  125    HD1  TYR  19           HD2      TYR  19 -21.404 -10.439  -8.913
  126    HD2  TYR  19           HD1      TYR  19 -20.865 -13.409  -5.918
  127    HE1  TYR  19           HE2      TYR  19 -23.838 -10.712  -8.758
  128    HE2  TYR  19           HE1      TYR  19 -23.299 -13.715  -5.774
  129    HH   TYR  19           HH       TYR  19 -25.420 -12.186  -8.173
  130    H    ALA  20           HN       ALA  20 -18.437 -11.449  -5.072
  131    HA   ALA  20           HA       ALA  20 -20.008 -10.031  -3.122
  132   1HB   ALA  20           HMB      ALA  20 -18.320 -12.271  -3.188
  133   2HB   ALA  20           HMB      ALA  20 -17.539 -11.111  -2.083
  134   3HB   ALA  20           HMB      ALA  20 -19.223 -11.620  -1.797
  135    H    ALA  21           HN       ALA  21 -17.210  -9.279  -4.954
  136    HA   ALA  21           HA       ALA  21 -16.006  -7.331  -5.119
  137   1HB   ALA  21           HMB      ALA  21 -18.287  -6.288  -4.407
  138   2HB   ALA  21           HMB      ALA  21 -17.494  -6.095  -2.823
  139   3HB   ALA  21           HMB      ALA  21 -16.785  -5.338  -4.272
  140    H    GLU  22           HN       GLU  22 -14.010  -7.540  -4.478
  141    HA   GLU  22           HA       GLU  22 -13.448  -7.791  -1.568
  142   1HB   GLU  22           HBS      GLU  22 -13.069  -9.878  -2.658
  143   2HB   GLU  22           HBR      GLU  22 -12.157  -9.213  -3.899
  144   1HG   GLU  22           HGR      GLU  22 -10.218  -8.920  -2.434
  145   2HG   GLU  22           HGS      GLU  22 -11.320  -8.797  -1.036
  146    H    LYS  23           HN       LYS  23 -13.830  -5.507  -3.303
  147    HA   LYS  23           HA       LYS  23 -11.116  -4.733  -4.188
  148   1HB   LYS  23           HBR      LYS  23 -13.901  -4.243  -5.110
  149   2HB   LYS  23           HBS      LYS  23 -12.780  -2.859  -5.244
  150   1HG   LYS  23           HGR      LYS  23 -11.216  -4.295  -6.544
  151   2HG   LYS  23           HGS      LYS  23 -12.410  -5.622  -6.467
  152   1HD   LYS  23           HDS      LYS  23 -12.486  -4.449  -8.599
  153   2HD   LYS  23           HDR      LYS  23 -13.990  -4.423  -7.719
  154   1HE   LYS  23           HES      LYS  23 -12.042  -2.129  -7.648
  155   2HE   LYS  23           HER      LYS  23 -13.363  -2.286  -8.840
  156   1HZ   LYS  23           HZB      LYS  23 -14.519  -2.706  -6.422
  157   2HZ   LYS  23           HZC      LYS  23 -13.488  -1.470  -6.144
  158   3HZ   LYS  23           HZA      LYS  23 -14.616  -1.345  -7.318
  159    H    VAL  24           HN       VAL  24 -11.291  -2.092  -4.499
  160    HA   VAL  24           HA       VAL  24 -11.239  -0.931  -1.814
  161    HB   VAL  24           HB       VAL  24  -9.701  -2.977  -2.031
  162   1HG1  VAL  24           HMG      VAL  24  -8.649  -1.738  -4.213
  163   2HG1  VAL  24           HMG      VAL  24  -7.489  -1.257  -2.951
  164   3HG1  VAL  24           HMG      VAL  24  -7.825  -2.981  -3.243
  165   1HG2  VAL  24           HMG      VAL  24  -8.891  -0.310  -0.889
  166   2HG2  VAL  24           HMG      VAL  24  -9.564  -1.743  -0.075
  167   3HG2  VAL  24           HMG      VAL  24  -7.889  -1.766  -0.679
  168    H    ILE  25           HN       ILE  25 -10.006   1.076  -1.761
  169    HA   ILE  25           HA       ILE  25  -9.775   2.366  -4.436
  170    HB   ILE  25           HB       ILE  25 -12.068   2.614  -3.354
  171   1HG1  ILE  25           HG1      ILE  25 -11.179   5.398  -3.510
  172   2HG1  ILE  25           HG1      ILE  25 -10.448   4.383  -4.785
  173   1HG2  ILE  25           HMG      ILE  25 -11.196   2.872  -1.010
  174   2HG2  ILE  25           HMG      ILE  25 -10.704   4.526  -1.456
  175   3HG2  ILE  25           HMG      ILE  25 -12.425   4.062  -1.514
  176   1HD1  ILE  25           HMD      ILE  25 -13.191   3.698  -4.677
  177   2HD1  ILE  25           HMD      ILE  25 -13.100   5.479  -4.624
  178   3HD1  ILE  25           HMD      ILE  25 -12.322   4.585  -5.958
  179    H    GLY  26           HN       GLY  26  -8.368   4.035  -4.612
  180   1HA   GLY  26           HAR      GLY  26  -7.415   5.498  -2.331
  181   2HA   GLY  26           HAS      GLY  26  -6.124   4.462  -2.995
  182    H    ALA  27           HN       ALA  27  -7.053   7.495  -3.004
  183    HA   ALA  27           HA       ALA  27  -6.513   9.307  -4.302
  184   1HB   ALA  27           HMB      ALA  27  -4.600   7.455  -5.007
  185   2HB   ALA  27           HMB      ALA  27  -5.342   7.879  -6.571
  186   3HB   ALA  27           HMB      ALA  27  -4.665   9.157  -5.530
  187    H    GLY  28           HN       GLY  28  -6.815   6.900  -6.909
  188   1HA   GLY  28           HAR      GLY  28  -9.451   7.940  -7.712
  189   2HA   GLY  28           HAS      GLY  28  -8.090   8.325  -8.798
  190    H    LYS  29           HN       LYS  29  -7.824   5.404  -6.982
  191    HA   LYS  29           HA       LYS  29  -8.264   3.862  -9.500
  192   1HB   LYS  29           HBR      LYS  29  -6.003   3.978  -7.562
  193   2HB   LYS  29           HBS      LYS  29  -6.454   2.371  -8.197
  194   1HG   LYS  29           HGR      LYS  29  -4.716   3.255  -9.599
  195   2HG   LYS  29           HGS      LYS  29  -6.245   3.319 -10.521
  196   1HD   LYS  29           HDS      LYS  29  -6.271   5.763  -9.375
  197   2HD   LYS  29           HDR      LYS  29  -4.552   5.497  -9.467
  198   1HE   LYS  29           HES      LYS  29  -5.100   4.772 -11.945
  199   2HE   LYS  29           HER      LYS  29  -6.529   5.803 -11.653
  200   1HZ   LYS  29           HZB      LYS  29  -3.754   6.664 -11.214
  201   2HZ   LYS  29           HZC      LYS  29  -4.614   6.991 -12.563
  202   3HZ   LYS  29           HZA      LYS  29  -5.094   7.594 -11.123
  203    H    SER  30           HN       SER  30  -9.255   1.932  -9.390
  204    HA   SER  30           HA       SER  30 -10.120   0.957  -6.714
  205   1HB   SER  30           HBR      SER  30 -11.579  -0.541  -8.431
  206   2HB   SER  30           HBS      SER  30 -12.133   0.982  -7.678
  207    HG   SER  30           HG       SER  30 -11.615   0.265 -10.303
  208    CH2  TRP  31           CH2      TRP  31  -3.028   1.578  -6.387
  209    H    TRP  31           HN       TRP  31  -9.832  -1.205  -6.221
  210    HA   TRP  31           HA       TRP  31  -8.026  -2.805  -7.879
  211   1HB   TRP  31           HBS      TRP  31  -6.937  -2.436  -5.174
  212   2HB   TRP  31           HBR      TRP  31  -6.119  -2.600  -6.752
  213    HD1  TRP  31           HD1      TRP  31  -8.418   0.319  -5.560
  214    HE1  TRP  31           HE1      TRP  31  -7.038   2.486  -5.563
  215    HE3  TRP  31           HE3      TRP  31  -3.865  -1.703  -6.575
  216    HZ2  TRP  31           HZ2      TRP  31  -4.354   3.209  -5.944
  217    HZ3  TRP  31           HZ3      TRP  31  -1.921  -0.215  -6.702
  218    HH2  TRP  31           HH2      TRP  31  -2.160   2.200  -6.461
  219    H    HIS  32           HN       ZHI  32  -7.583  -4.891  -6.932
  220    HA   HIS  32           HA       ZHI  32  -9.599  -5.959  -5.092
  221   1HB   HIS  32           HBS      ZHI  32  -7.128  -7.140  -6.399
  222   2HB   HIS  32           HBR      ZHI  32  -7.935  -7.947  -5.024
  223    HD2  HIS  32           HD2      ZHI  32 -10.830  -8.320  -5.621
  224    HE1  HIS  32           HE1      ZHI  32  -9.863  -9.311  -9.598
  225    HE2  HIS  32           HE2      ZHI  32 -11.549  -9.611  -7.748
  226    H    LYS  33           HN       LYS  33  -9.377  -6.209  -2.959
  227    HA   LYS  33           HA       LYS  33  -7.428  -5.008  -1.371
  228   1HB   LYS  33           HBS      LYS  33  -9.081  -7.493  -0.827
  229   2HB   LYS  33           HBR      LYS  33  -8.082  -6.651   0.392
  230   1HG   LYS  33           HGR      LYS  33  -9.620  -4.602  -0.651
  231   2HG   LYS  33           HGS      LYS  33 -10.748  -5.986  -0.669
  232   1HD   LYS  33           HDS      LYS  33  -9.355  -6.001   1.814
  233   2HD   LYS  33           HDR      LYS  33  -9.891  -4.370   1.512
  234   1HE   LYS  33           HES      LYS  33 -11.820  -6.617   1.115
  235   2HE   LYS  33           HER      LYS  33 -11.431  -6.032   2.757
  236   1HZ   LYS  33           HZB      LYS  33 -11.878  -3.770   1.464
  237   2HZ   LYS  33           HZC      LYS  33 -12.914  -4.747   0.665
  238   3HZ   LYS  33           HZA      LYS  33 -13.032  -4.583   2.286
  239    H    SER  34           HN       SER  34  -7.341  -8.039  -3.113
  240    HA   SER  34           HA       SER  34  -4.679  -8.618  -1.960
  241   1HB   SER  34           HBR      SER  34  -6.690 -10.295  -2.115
  242   2HB   SER  34           HBS      SER  34  -6.127 -10.483  -3.800
  243    HG   SER  34           HG       SER  34  -3.910 -10.653  -2.823
  244    H    CYS  35           HN       CYS  35  -5.462  -6.597  -4.133
  245    HA   CYS  35           HA       CYS  35  -3.166  -7.370  -5.850
  246   1HB   CYS  35           HBS      CYS  35  -5.734  -6.031  -6.656
  247   2HB   CYS  35           HBR      CYS  35  -4.206  -5.682  -7.514
  248    H    PHE  36           HN       PHE  36  -3.713  -5.899  -3.226
  249    HA   PHE  36           HA       PHE  36  -3.257  -3.099  -3.981
  250   1HB   PHE  36           HBS      PHE  36  -5.045  -3.951  -2.260
  251   2HB   PHE  36           HBR      PHE  36  -3.662  -4.017  -1.129
  252    HD1  PHE  36           HD2      PHE  36  -2.109  -1.577  -1.895
  253    HD2  PHE  36           HD1      PHE  36  -6.320  -2.202  -1.786
  254    HE1  PHE  36           HE2      PHE  36  -2.430   0.753  -1.110
  255    HE2  PHE  36           HE1      PHE  36  -6.676   0.152  -1.194
  256    HZ   PHE  36           HZ       PHE  36  -4.736   1.657  -0.953
  257    NH1  ARG  37           NH1      ARG  37   1.754  -2.817  -7.858
  258    NH2  ARG  37           NH2      ARG  37   2.430  -0.628  -7.689
  259    H    ARG  37           HN       ARG  37  -1.272  -2.406  -4.155
  260    HA   ARG  37           HA       ARG  37   0.850  -3.741  -2.545
  261   1HB   ARG  37           HBR      ARG  37   0.642  -4.211  -5.063
  262   2HB   ARG  37           HBS      ARG  37   1.210  -2.532  -5.292
  263   1HG   ARG  37           HGS      ARG  37   3.129  -3.387  -3.632
  264   2HG   ARG  37           HGR      ARG  37   2.683  -4.954  -4.365
  265   1HD   ARG  37           HDS      ARG  37   4.533  -3.630  -5.477
  266   2HD   ARG  37           HDR      ARG  37   3.208  -4.226  -6.516
  267    HE   ARG  37           HE       ARG  37   3.627  -1.412  -5.664
  268   1HH1  ARG  37           HH1      ARG  37   1.768  -3.760  -7.525
  269   2HH1  ARG  37           HH1      ARG  37   1.190  -2.575  -8.648
  270   1HH2  ARG  37           HH2      ARG  37   2.958   0.085  -7.229
  271   2HH2  ARG  37           HH2      ARG  37   1.861  -0.399  -8.480
  272    H    CYS  38           HN       CYS  38   1.727  -2.458  -1.113
  273    HA   CYS  38           HA       CYS  38   2.056   0.350  -1.185
  274   1HB   CYS  38           HBS      CYS  38   2.495  -1.270   0.719
  275   2HB   CYS  38           HBR      CYS  38   4.065  -1.601  -0.068
  276    H    ALA  39           HN       ALA  39   2.722   1.330  -2.967
  277    HA   ALA  39           HA       ALA  39   4.779   0.587  -4.681
  278   1HB   ALA  39           HMB      ALA  39   3.118   2.459  -4.947
  279   2HB   ALA  39           HMB      ALA  39   4.162   3.438  -3.884
  280   3HB   ALA  39           HMB      ALA  39   4.792   2.829  -5.436
  281    H    LYS  40           HN       LYS  40   5.019   1.517  -1.406
  282    HA   LYS  40           HA       LYS  40   7.641   2.871  -1.631
  283   1HB   LYS  40           HBS      LYS  40   5.753   3.453   0.079
  284   2HB   LYS  40           HBR      LYS  40   6.362   2.023   0.959
  285   1HG   LYS  40           HGR      LYS  40   7.933   4.519   0.213
  286   2HG   LYS  40           HGS      LYS  40   7.398   4.031   1.846
  287   1HD   LYS  40           HDS      LYS  40   9.475   3.254   2.024
  288   2HD   LYS  40           HDR      LYS  40   8.750   1.859   1.272
  289   1HE   LYS  40           HES      LYS  40  10.660   2.116   0.027
  290   2HE   LYS  40           HER      LYS  40   9.428   2.951  -0.960
  291   1HZ   LYS  40           HZB      LYS  40  10.231   4.962   0.421
  292   2HZ   LYS  40           HZC      LYS  40  11.592   4.079   0.612
  293   3HZ   LYS  40           HZA      LYS  40  11.080   4.476  -0.887
  294    H    CYS  41           HN       CYS  41   6.443   0.278   0.528
  295    HA   CYS  41           HA       CYS  41   9.237  -0.527   0.766
  296   1HB   CYS  41           HBR      CYS  41   8.601  -1.785   2.686
  297   2HB   CYS  41           HBS      CYS  41   7.938  -0.134   2.761
  298    H    GLY  42           HN       GLY  42   6.561  -1.538  -1.051
  299   1HA   GLY  42           HAR      GLY  42   6.740  -3.016  -2.889
  300   2HA   GLY  42           HAS      GLY  42   8.224  -3.708  -2.181
  301    H    LYS  43           HN       LYS  43   5.544  -3.168  -0.056
  302    HA   LYS  43           HA       LYS  43   5.174  -6.102   0.240
  303   1HB   LYS  43           HBS      LYS  43   5.578  -4.493   2.238
  304   2HB   LYS  43           HBR      LYS  43   3.881  -4.000   1.970
  305   1HG   LYS  43           HGR      LYS  43   3.567  -5.660   3.529
  306   2HG   LYS  43           HGS      LYS  43   3.476  -6.629   2.031
  307   1HD   LYS  43           HDS      LYS  43   5.561  -7.552   2.311
  308   2HD   LYS  43           HDR      LYS  43   6.123  -6.247   3.318
  309   1HE   LYS  43           HES      LYS  43   4.228  -8.447   4.113
  310   2HE   LYS  43           HER      LYS  43   5.898  -8.164   4.678
  311   1HZ   LYS  43           HZA      LYS  43   5.004  -5.984   5.493
  312   2HZ   LYS  43           HZB      LYS  43   3.503  -6.583   5.259
  313   3HZ   LYS  43           HZC      LYS  43   4.518  -7.311   6.311
  314    H    SER  44           HN       SER  44   3.805  -6.762  -1.287
  315    HA   SER  44           HA       SER  44   1.315  -5.365  -1.929
  316   1HB   SER  44           HBR      SER  44   2.485  -6.888  -3.544
  317   2HB   SER  44           HBS      SER  44   2.047  -8.249  -2.472
  318    HG   SER  44           HG       SER  44   0.380  -6.355  -3.902
  319    H    LEU  45           HN       LEU  45   0.091  -5.055  -0.182
  320    HA   LEU  45           HA       LEU  45  -0.520  -7.389   1.539
  321   1HB   LEU  45           HBR      LEU  45  -0.380  -5.732   3.494
  322   2HB   LEU  45           HBS      LEU  45   1.125  -6.423   2.829
  323    HG   LEU  45           HG       LEU  45   1.529  -4.298   1.625
  324   1HD1  LEU  45           HMD      LEU  45  -0.928  -3.629   1.618
  325   2HD1  LEU  45           HMD      LEU  45  -0.702  -3.161   3.322
  326   3HD1  LEU  45           HMD      LEU  45   0.244  -2.357   2.045
  327   1HD2  LEU  45           HMD      LEU  45   1.857  -4.978   4.295
  328   2HD2  LEU  45           HMD      LEU  45   2.665  -3.638   3.443
  329   3HD2  LEU  45           HMD      LEU  45   1.172  -3.334   4.367
  330    H    GLU  46           HN       GLU  46  -2.201  -6.286   3.300
  331    HA   GLU  46           HA       GLU  46  -4.421  -4.937   1.995
  332   1HB   GLU  46           HBR      GLU  46  -4.187  -7.001   0.681
  333   2HB   GLU  46           HBS      GLU  46  -4.128  -7.904   2.094
  334   1HG   GLU  46           HGS      GLU  46  -6.540  -6.288   2.020
  335   2HG   GLU  46           HGR      GLU  46  -6.505  -7.470   0.684
  336    H    SER  47           HN       SER  47  -3.233  -7.292   4.381
  337    HA   SER  47           HA       SER  47  -5.591  -7.333   6.006
  338   1HB   SER  47           HBR      SER  47  -2.799  -8.331   6.237
  339   2HB   SER  47           HBS      SER  47  -3.708  -8.063   7.753
  340    HG   SER  47           HG       SER  47  -3.818 -10.049   5.867
  341    H    THR  48           HN       THR  48  -2.379  -5.876   6.655
  342    HA   THR  48           HA       THR  48  -3.410  -3.845   8.456
  343    HB   THR  48           HB       THR  48  -1.199  -2.768   8.184
  344    HG1  THR  48           HG1      THR  48  -0.886  -4.854   6.471
  345   1HG2  THR  48           HMG      THR  48  -1.401  -5.617   8.917
  346   2HG2  THR  48           HMG      THR  48   0.244  -5.036   8.554
  347   3HG2  THR  48           HMG      THR  48  -0.729  -4.230   9.811
  348    H    THR  49           HN       THR  49  -4.190  -1.903   7.996
  349    HA   THR  49           HA       THR  49  -5.560  -1.686   5.572
  350    HB   THR  49           HB       THR  49  -6.241  -0.644   7.801
  351    HG1  THR  49           HG1      THR  49  -7.285  -0.304   6.299
  352   1HG2  THR  49           HMG      THR  49  -4.198   1.430   6.992
  353   2HG2  THR  49           HMG      THR  49  -5.560   1.780   8.087
  354   3HG2  THR  49           HMG      THR  49  -4.343   0.560   8.540
  355    H    LEU  50           HN       LEU  50  -5.540   0.748   4.556
  356    HA   LEU  50           HA       LEU  50  -2.883   0.791   3.211
  357   1HB   LEU  50           HBR      LEU  50  -4.079   1.070   1.160
  358   2HB   LEU  50           HBS      LEU  50  -4.745  -0.334   2.043
  359    HG   LEU  50           HG       LEU  50  -6.441   1.665   2.816
  360   1HD1  LEU  50           HMD      LEU  50  -5.090   2.911   0.832
  361   2HD1  LEU  50           HMD      LEU  50  -6.354   2.093  -0.120
  362   3HD1  LEU  50           HMD      LEU  50  -6.809   3.206   1.195
  363   1HD2  LEU  50           HMD      LEU  50  -6.366  -0.660   1.082
  364   2HD2  LEU  50           HMD      LEU  50  -7.670  -0.073   2.145
  365   3HD2  LEU  50           HMD      LEU  50  -7.528   0.551   0.482
  366    H    ALA  51           HN       ALA  51  -2.647   2.824   1.824
  367    HA   ALA  51           HA       ALA  51  -3.957   5.260   2.816
  368   1HB   ALA  51           HMB      ALA  51  -1.045   4.612   3.336
  369   2HB   ALA  51           HMB      ALA  51  -1.762   6.239   3.467
  370   3HB   ALA  51           HMB      ALA  51  -2.326   4.929   4.535
  371    H    ASP  52           HN       ASP  52  -4.462   6.148   0.957
  372    HA   ASP  52           HA       ASP  52  -2.769   5.642  -1.365
  373   1HB   ASP  52           HBS      ASP  52  -4.707   6.522  -2.649
  374   2HB   ASP  52           HBR      ASP  52  -5.020   5.065  -1.662
  375    H    LYS  53           HN       LYS  53  -1.923   7.132  -2.736
  376    HA   LYS  53           HA       LYS  53  -2.324   9.990  -2.079
  377   1HB   LYS  53           HBS      LYS  53   0.094   8.821  -1.550
  378   2HB   LYS  53           HBR      LYS  53   0.316   9.365  -3.237
  379   1HG   LYS  53           HGR      LYS  53   0.230  11.588  -2.681
  380   2HG   LYS  53           HGS      LYS  53  -0.870  11.313  -1.299
  381   1HD   LYS  53           HDS      LYS  53   1.538  10.015  -0.652
  382   2HD   LYS  53           HDR      LYS  53   2.002  11.530  -1.378
  383   1HE   LYS  53           HES      LYS  53   1.085  12.812   0.263
  384   2HE   LYS  53           HER      LYS  53  -0.163  11.592   0.649
  385   1HZ   LYS  53           HZC      LYS  53   1.881  10.258   1.409
  386   2HZ   LYS  53           HZA      LYS  53   2.611  11.715   1.519
  387   3HZ   LYS  53           HZB      LYS  53   1.264  11.408   2.390
  388    H    ASP  54           HN       ASP  54  -1.148  11.205  -4.081
  389    HA   ASP  54           HA       ASP  54  -3.019  10.828  -6.074
  390   1HB   ASP  54           HBS      ASP  54  -1.056  12.729  -5.458
  391   2HB   ASP  54           HBR      ASP  54  -0.787  12.262  -7.161
  392    H    GLY  55           HN       GLY  55  -3.149   8.811  -6.859
  393   1HA   GLY  55           HAR      GLY  55  -2.937   7.697  -8.930
  394   2HA   GLY  55           HAS      GLY  55  -1.273   8.320  -9.088
  395    H    GLU  56           HN       GLU  56  -0.998   7.501  -6.092
  396    HA   GLU  56           HA       GLU  56  -0.486   4.612  -6.538
  397   1HB   GLU  56           HBS      GLU  56   1.725   4.973  -5.550
  398   2HB   GLU  56           HBR      GLU  56   1.579   5.432  -7.158
  399   1HG   GLU  56           HGS      GLU  56   1.213   7.832  -6.299
  400   2HG   GLU  56           HGR      GLU  56   1.658   7.257  -4.670
  401    H    ILE  57           HN       ILE  57   0.800   4.002  -4.280
  402    HA   ILE  57           HA       ILE  57  -1.066   4.762  -2.104
  403    HB   ILE  57           HB       ILE  57  -1.823   2.424  -1.903
  404   1HG1  ILE  57           HG1      ILE  57  -0.220   1.917  -4.440
  405   2HG1  ILE  57           HG1      ILE  57   0.215   1.369  -2.797
  406   1HG2  ILE  57           HMG      ILE  57  -2.249   3.586  -4.661
  407   2HG2  ILE  57           HMG      ILE  57  -3.189   2.237  -3.970
  408   3HG2  ILE  57           HMG      ILE  57  -3.242   3.846  -3.203
  409   1HD1  ILE  57           HMD      ILE  57  -2.474   0.545  -3.629
  410   2HD1  ILE  57           HMD      ILE  57  -1.175  -0.091  -4.673
  411   3HD1  ILE  57           HMD      ILE  57  -1.144  -0.406  -2.917
  412    OH   TYR  58           OH       TYR  58   6.576   5.461   3.878
  413    H    TYR  58           HN       TYR  58  -0.653   3.137  -0.211
  414    HA   TYR  58           HA       TYR  58   2.105   2.532   0.414
  415   1HB   TYR  58           HBS      TYR  58   1.946   5.105  -0.034
  416   2HB   TYR  58           HBR      TYR  58   1.064   5.154   1.519
  417    HD1  TYR  58           HD2      TYR  58   2.231   4.373   3.594
  418    HD2  TYR  58           HD1      TYR  58   4.301   5.158  -0.036
  419    HE1  TYR  58           HE2      TYR  58   4.261   4.889   4.873
  420    HE2  TYR  58           HE1      TYR  58   6.356   5.619   1.228
  421    HH   TYR  58           HH       TYR  58   6.834   6.490   3.637
  422    H    CYS  59           HN       CYS  59   2.290   1.728   2.474
  423    HA   CYS  59           HA       CYS  59  -0.335   0.630   3.013
  424   1HB   CYS  59           HBR      CYS  59   0.655  -1.374   3.495
  425   2HB   CYS  59           HBS      CYS  59   1.562  -0.676   2.134
  426    H    LYS  60           HN       LYS  60  -0.590  -0.558   5.198
  427    HA   LYS  60           HA       LYS  60  -0.345   1.476   7.351
  428   1HB   LYS  60           HBS      LYS  60  -2.539   0.367   7.054
  429   2HB   LYS  60           HBR      LYS  60  -1.757  -1.214   7.340
  430   1HG   LYS  60           HGR      LYS  60  -2.956  -0.279   9.334
  431   2HG   LYS  60           HGS      LYS  60  -1.224  -0.616   9.613
  432   1HD   LYS  60           HDS      LYS  60  -1.914   1.482  10.631
  433   2HD   LYS  60           HDR      LYS  60  -0.645   1.656   9.449
  434   1HE   LYS  60           HES      LYS  60  -1.890   3.375   8.737
  435   2HE   LYS  60           HER      LYS  60  -2.739   2.080   7.847
  436   1HZ   LYS  60           HZC      LYS  60  -4.127   1.965   9.969
  437   2HZ   LYS  60           HZA      LYS  60  -3.560   3.466  10.276
  438   3HZ   LYS  60           HZB      LYS  60  -4.413   3.178   8.914
  439    H    GLY  61           HN       GLY  61   1.081  -1.369   6.050
  440   1HA   GLY  61           HAR      GLY  61   2.634  -2.264   8.262
  441   2HA   GLY  61           HAS      GLY  61   3.080  -2.378   6.538
  442    H    CYS  62           HN       CYS  62   2.563   0.728   6.586
  443    HA   CYS  62           HA       CYS  62   5.391   1.297   7.210
  444   1HB   CYS  62           HBS      CYS  62   3.486   1.948   5.034
  445   2HB   CYS  62           HBR      CYS  62   4.626   3.242   5.498
  446    OH   TYR  63           OH       TYR  63  -0.143   9.637   6.655
  447    H    TYR  63           HN       TYR  63   2.191   2.883   7.171
  448    HA   TYR  63           HA       TYR  63   2.790   4.989   8.999
  449   1HB   TYR  63           HBR      TYR  63   0.396   3.693   7.880
  450   2HB   TYR  63           HBS      TYR  63   0.184   4.264   9.559
  451    HD1  TYR  63           HD1      TYR  63   0.507   6.712  10.062
  452    HD2  TYR  63           HD2      TYR  63   0.512   5.234   6.075
  453    HE1  TYR  63           HE1      TYR  63   0.187   8.999   9.221
  454    HE2  TYR  63           HE2      TYR  63   0.154   7.507   5.223
  455    HH   TYR  63           HH       TYR  63  -0.979   9.993   7.253
  456    H    ALA  64           HN       ALA  64   2.650   1.580   9.342
  457    HA   ALA  64           HA       ALA  64   2.518   1.705  12.292
  458   1HB   ALA  64           HMB      ALA  64   1.476  -0.176  11.043
  459   2HB   ALA  64           HMB      ALA  64   3.097  -0.649  10.477
  460   3HB   ALA  64           HMB      ALA  64   2.717  -0.682  12.217
  461    H    LYS  65           HN       LYS  65   4.798   0.782   9.687
  462    HA   LYS  65           HA       LYS  65   7.093   0.535  11.185
  463   1HB   LYS  65           HBS      LYS  65   6.515   0.550   8.499
  464   2HB   LYS  65           HBR      LYS  65   7.546   1.999   8.674
  465   1HG   LYS  65           HGR      LYS  65   8.232  -0.872   9.404
  466   2HG   LYS  65           HGS      LYS  65   8.969   0.140   8.128
  467   1HD   LYS  65           HDS      LYS  65  10.567   0.370   9.685
  468   2HD   LYS  65           HDR      LYS  65   9.549   1.723  10.093
  469   1HE   LYS  65           HES      LYS  65   8.719   0.755  12.007
  470   2HE   LYS  65           HER      LYS  65   9.074  -0.898  11.430
  471   1HZ   LYS  65           HZC      LYS  65  11.244   0.982  11.952
  472   2HZ   LYS  65           HZA      LYS  65  10.568   0.151  13.185
  473   3HZ   LYS  65           HZB      LYS  65  11.274  -0.651  11.950
  474    H    ASN  66           HN       ASN  66   5.277   3.392  10.620
  475    HA   ASN  66           HA       ASN  66   7.517   5.097  11.425
  476   1HB   ASN  66           HBS      ASN  66   5.066   5.447   9.900
  477   2HB   ASN  66           HBR      ASN  66   5.353   6.755  11.085
  478   1HD2  ASN  66           HD2      ASN  66   8.323   6.086   8.274
  479   2HD2  ASN  66           HD2      ASN  66   7.546   4.751   9.057
  480    H    PHE  67           HN       PHE  67   6.490   3.235  13.332
  481    HA   PHE  67           HA       PHE  67   5.018   4.716  15.296
  482   1HB   PHE  67           HBR      PHE  67   5.565   2.915  16.864
  483   2HB   PHE  67           HBS      PHE  67   4.989   2.253  15.306
  484    HD1  PHE  67           HD2      PHE  67   8.233   3.035  17.112
  485    HD2  PHE  67           HD1      PHE  67   6.154   0.695  14.221
  486    HE1  PHE  67           HE2      PHE  67  10.212   1.570  16.883
  487    HE2  PHE  67           HE1      PHE  67   8.103  -0.775  13.977
  488    HZ   PHE  67           HZ       PHE  67  10.111  -0.379  15.354
  489    H    GLY  68           HN       GLY  68   8.411   4.335  14.523
  490   1HA   GLY  68           HAS      GLY  68   9.832   6.259  14.944
  491   2HA   GLY  68           HAR      GLY  68   8.999   6.488  16.507
  492    HA   PRO  69           HA       PRO  69  12.270   2.848  16.690
  493   1HB   PRO  69           HBS      PRO  69  14.297   3.703  15.033
  494   2HB   PRO  69           HBR      PRO  69  13.502   2.268  14.964
  495   1HG   PRO  69           HGS      PRO  69  13.334   4.266  13.184
  496   2HG   PRO  69           HGR      PRO  69  12.324   2.940  13.243
  497   1HD   PRO  69           HDS      PRO  69  11.797   5.576  14.059
  498   2HD   PRO  69           HDR      PRO  69  10.718   4.366  13.727
  499    H    LYS  70           HN       LYS  70  12.887   3.155  18.650
  500    HA   LYS  70           HA       LYS  70  14.306   5.665  19.250
  501   1HB   LYS  70           HBS      LYS  70  12.499   3.928  20.650
  502   2HB   LYS  70           HBR      LYS  70  14.034   4.032  21.559
  503   1HG   LYS  70           HGR      LYS  70  13.264   5.947  22.427
  504   2HG   LYS  70           HGS      LYS  70  13.492   6.674  20.810
  505   1HD   LYS  70           HDS      LYS  70  11.328   7.226  21.228
  506   2HD   LYS  70           HDR      LYS  70  11.177   5.778  20.271
  507   1HE   LYS  70           HES      LYS  70   9.632   5.444  21.953
  508   2HE   LYS  70           HER      LYS  70  11.057   4.509  22.485
  509   1HZ   LYS  70           HZC      LYS  70  10.378   7.221  23.395
  510   2HZ   LYS  70           HZA      LYS  70  10.120   5.850  24.245
  511   3HZ   LYS  70           HZB      LYS  70  11.645   6.326  23.906
  512    H    GLY  71           HN       GLY  71  14.945   2.333  18.693
  513   1HA   GLY  71           HAR      GLY  71  17.327   1.604  18.524
  514   2HA   GLY  71           HAS      GLY  71  17.621   2.540  20.014
  515    H    PHE  72           HN       PHE  72  15.862  -0.219  18.637
  516    HA   PHE  72           HA       PHE  72  15.489  -1.307  21.383
  517   1HB   PHE  72           HBS      PHE  72  13.472  -0.618  19.602
  518   2HB   PHE  72           HBR      PHE  72  13.671  -2.373  19.326
  519    HD1  PHE  72           HD2      PHE  72  13.471  -0.007  22.298
  520    HD2  PHE  72           HD1      PHE  72  12.514  -3.783  20.569
  521    HE1  PHE  72           HE2      PHE  72  12.122  -0.572  24.292
  522    HE2  PHE  72           HE1      PHE  72  11.168  -4.366  22.536
  523    HZ   PHE  72           HZ       PHE  72  10.919  -2.738  24.372
  524    H    GLY  73           HN       GLY  73  16.994  -2.788  21.660
  525   1HA   GLY  73           HAS      GLY  73  17.584  -5.041  21.616
  526   2HA   GLY  73           HAR      GLY  73  16.722  -5.224  20.066
  527    H    PHE  74           HN       PHE  74  17.823  -5.113  18.188
  528    HA   PHE  74           HA       PHE  74  20.755  -5.170  18.485
  529   1HB   PHE  74           HBR      PHE  74  19.450  -7.129  17.464
  530   2HB   PHE  74           HBS      PHE  74  19.191  -6.076  16.042
  531    HD1  PHE  74           HD2      PHE  74  21.976  -7.528  18.156
  532    HD2  PHE  74           HD1      PHE  74  20.748  -5.834  14.444
  533    HE1  PHE  74           HE2      PHE  74  24.155  -8.144  17.161
  534    HE2  PHE  74           HE1      PHE  74  22.900  -6.437  13.433
  535    HZ   PHE  74           HZ       PHE  74  24.582  -7.646  14.770
  536    H    GLY  75           HN       GLY  75  22.120  -3.874  17.469
  537   1HA   GLY  75           HAS      GLY  75  22.992  -2.392  15.934
  538   2HA   GLY  75           HAR      GLY  75  21.485  -2.561  14.994
  539    H    GLN  76           HN       GLN  76  22.639  -1.155  18.088
  540    HA   GLN  76           HA       GLN  76  20.518   0.854  18.114
  541   1HB   GLN  76           HBR      GLN  76  21.885  -0.263  20.130
  542   2HB   GLN  76           HBS      GLN  76  22.897   1.185  19.855
  543   1HG   GLN  76           HGS      GLN  76  21.161   2.650  20.374
  544   2HG   GLN  76           HGR      GLN  76  19.906   1.406  20.118
  545   1HE2  GLN  76           HE2      GLN  76  21.007   2.232  23.779
  546   2HE2  GLN  76           HE2      GLN  76  21.112   3.264  22.392
  547    H    GLY  77           HN       GLY  77  23.800   0.493  16.999
  548   1HA   GLY  77           HAS      GLY  77  23.600   2.963  15.430
  549   2HA   GLY  77           HAR      GLY  77  24.773   3.010  16.773
  550    H    ALA  78           HN       ALA  78  25.590   3.294  14.160
  551    HA   ALA  78           HA       ALA  78  27.295   2.613  12.794
  552   1HB   ALA  78           HMB      ALA  78  27.774   1.453  15.455
  553   2HB   ALA  78           HMB      ALA  78  28.638   0.642  14.124
  554   3HB   ALA  78           HMB      ALA  78  28.848   2.392  14.387
  555    H    GLY  79           HN       GLY  79  28.263   0.783  11.603
  556   1HA   GLY  79           HAS      GLY  79  26.014  -0.866  10.672
  557   2HA   GLY  79           HAR      GLY  79  27.531  -0.523   9.799
  558    H    ALA  80           HN       ALA  80  26.745  -3.028   9.666
  559    HA   ALA  80           HA       ALA  80  28.099  -4.531  11.853
  560   1HB   ALA  80           HMB      ALA  80  25.623  -4.736  11.675
  561   2HB   ALA  80           HMB      ALA  80  25.841  -5.440  10.052
  562   3HB   ALA  80           HMB      ALA  80  26.503  -6.274  11.480
  563    H    LEU  81           HN       LEU  81  30.092  -4.871  11.074
  564    HA   LEU  81           HA       LEU  81  30.479  -6.097   8.418
  565   1HB   LEU  81           HBS      LEU  81  32.399  -5.451  10.678
  566   2HB   LEU  81           HBR      LEU  81  32.842  -6.045   9.052
  567    HG   LEU  81           HG       LEU  81  33.318  -3.728   9.110
  568   1HD1  LEU  81           HMD      LEU  81  31.520  -4.843   7.309
  569   2HD1  LEU  81           HMD      LEU  81  30.743  -3.315   7.792
  570   3HD1  LEU  81           HMD      LEU  81  32.392  -3.301   7.117
  571   1HD2  LEU  81           HMD      LEU  81  31.694  -3.448  11.108
  572   2HD2  LEU  81           HMD      LEU  81  31.907  -2.083   9.983
  573   3HD2  LEU  81           HMD      LEU  81  30.463  -3.118   9.864
  574    H    ILE  82           HN       ILE  82  28.874  -7.766   9.170
  575    HA   ILE  82           HA       ILE  82  28.374  -9.895   9.849
  576    HB   ILE  82           HB       ILE  82  31.368 -10.159  10.416
  577   1HG1  ILE  82           HG1      ILE  82  29.848 -11.082   7.952
  578   2HG1  ILE  82           HG1      ILE  82  30.686  -9.508   8.064
  579   1HG2  ILE  82           HMG      ILE  82  30.025 -11.851  11.573
  580   2HG2  ILE  82           HMG      ILE  82  29.289 -12.323  10.019
  581   3HG2  ILE  82           HMG      ILE  82  31.036 -12.559  10.287
  582   1HD1  ILE  82           HMD      ILE  82  32.298 -11.902   8.754
  583   2HD1  ILE  82           HMD      ILE  82  31.810 -11.737   7.046
  584   3HD1  ILE  82           HMD      ILE  82  32.738 -10.436   7.839
  585    H    HIS  83           HN       HIS  83  28.318 -11.235  11.852
  586    HA   HIS  83           HA       HIS  83  27.345  -9.564  13.861
  587   1HB   HIS  83           HBS      HIS  83  27.798 -12.514  13.657
  588   2HB   HIS  83           HBR      HIS  83  27.620 -11.830  15.298
  589    HD1  HIS  83           HD1      HIS  83  25.572 -13.259  12.718
  590    HD2  HIS  83           HD2      HIS  83  25.198  -9.979  15.258
  591    HE1  HIS  83           HE1      HIS  83  23.152 -12.610  12.681
  592    HE2  HIS  83           HE2      HIS  83  22.923 -10.612  14.199
  593    H    SER  84           HN       SER  84  28.782  -8.096  14.618
  594    HA   SER  84           HA       SER  84  31.287  -9.126  15.832
  595   1HB   SER  84           HBR      SER  84  31.466  -7.571  13.883
  596   2HB   SER  84           HBS      SER  84  30.695  -6.313  14.891
  597    HG   SER  84           HG       SER  84  32.764  -5.889  15.117
  598    H    GLN  85           HN       GLN  85  29.578  -6.040  16.277
  599    HA   GLN  85           HA       GLN  85  29.240  -6.728  19.151
  600   1HB   GLN  85           HBS      GLN  85  29.225  -3.890  18.169
  601   2HB   GLN  85           HBR      GLN  85  29.472  -4.532  19.817
  602   1HG   GLN  85           HGS      GLN  85  31.619  -5.596  18.801
  603   2HG   GLN  85           HGR      GLN  85  31.394  -4.384  17.508
  604   1HE2  GLN  85           HE2      GLN  85  33.182  -2.050  19.284
  605   2HE2  GLN  85           HE2      GLN  85  32.887  -2.908  17.810
   
  Start of MODEL          17
 Raw file had  605 H/Q atoms
  Start of MODEL   17
    1   1H    MET   1           HNB      MET   1 -30.357   7.075 -12.994
    2   2H    MET   1           HN       MET   1 -31.598   6.067 -13.331
    3   3H    MET   1           HNC      MET   1 -31.331   6.549 -11.794
    4    HA   MET   1           HA       MET   1 -30.588   4.375 -11.923
    5   1HB   MET   1           HBR      MET   1 -30.362   4.715 -14.521
    6   2HB   MET   1           HBS      MET   1 -28.661   5.077 -14.114
    7   1HG   MET   1           HGS      MET   1 -28.491   2.897 -12.935
    8   2HG   MET   1           HGR      MET   1 -30.186   2.554 -13.358
    9   1HE   MET   1           HME      MET   1 -31.114   2.601 -15.465
   10   2HE   MET   1           HME      MET   1 -30.322   3.437 -16.826
   11   3HE   MET   1           HME      MET   1 -30.399   1.656 -16.797
   12    H    ALA   2           HN       ALA   2 -29.699   4.636  -9.990
   13    HA   ALA   2           HA       ALA   2 -27.545   6.555  -9.596
   14   1HB   ALA   2           HMB      ALA   2 -29.646   5.476  -8.066
   15   2HB   ALA   2           HMB      ALA   2 -28.136   4.945  -7.283
   16   3HB   ALA   2           HMB      ALA   2 -28.428   6.679  -7.573
   17    H    GLN   3           HN       GLN   3 -27.846   3.289  -8.201
   18    HA   GLN   3           HA       GLN   3 -26.284   1.734  -7.662
   19   1HB   GLN   3           HBS      GLN   3 -24.860   0.966  -9.510
   20   2HB   GLN   3           HBR      GLN   3 -26.589   1.124  -9.928
   21   1HG   GLN   3           HGS      GLN   3 -26.141   3.195 -11.122
   22   2HG   GLN   3           HGR      GLN   3 -24.419   3.117 -10.652
   23   1HE2  GLN   3           HE2      GLN   3 -23.639   1.567 -13.615
   24   2HE2  GLN   3           HE2      GLN   3 -23.277   2.727 -12.382
   25    H    LYS   4           HN       LYS   4 -25.207   2.548  -5.981
   26    HA   LYS   4           HA       LYS   4 -23.217   4.490  -6.009
   27   1HB   LYS   4           HBS      LYS   4 -22.479   3.626  -3.875
   28   2HB   LYS   4           HBR      LYS   4 -24.263   3.631  -3.961
   29   1HG   LYS   4           HGR      LYS   4 -24.415   1.355  -3.849
   30   2HG   LYS   4           HGS      LYS   4 -22.883   1.099  -4.734
   31   1HD   LYS   4           HDS      LYS   4 -23.247   1.796  -1.825
   32   2HD   LYS   4           HDR      LYS   4 -22.649   0.310  -2.513
   33   1HE   LYS   4           HES      LYS   4 -21.082   2.551  -3.447
   34   2HE   LYS   4           HER      LYS   4 -21.148   2.473  -1.664
   35   1HZ   LYS   4           HZC      LYS   4 -20.629   0.039  -3.163
   36   2HZ   LYS   4           HZA      LYS   4 -19.414   1.115  -2.977
   37   3HZ   LYS   4           HZB      LYS   4 -20.136   0.462  -1.664
   38    H    VAL   5           HN       VAL   5 -23.026   1.061  -6.768
   39    HA   VAL   5           HA       VAL   5 -20.409   1.550  -8.027
   40    HB   VAL   5           HB       VAL   5 -19.400  -0.387  -6.954
   41   1HG1  VAL   5           HMG      VAL   5 -20.363   1.709  -4.990
   42   2HG1  VAL   5           HMG      VAL   5 -19.017   0.578  -4.710
   43   3HG1  VAL   5           HMG      VAL   5 -18.909   1.784  -6.015
   44   1HG2  VAL   5           HMG      VAL   5 -21.840  -1.266  -6.314
   45   2HG2  VAL   5           HMG      VAL   5 -20.366  -1.772  -5.455
   46   3HG2  VAL   5           HMG      VAL   5 -21.403  -0.500  -4.768
   47    H    GLY   6           HN       GLY   6 -23.136  -0.623  -7.392
   48   1HA   GLY   6           HAR      GLY   6 -24.352  -1.246  -9.573
   49   2HA   GLY   6           HAS      GLY   6 -22.742  -1.801 -10.106
   50    H    GLY   7           HN       GLY   7 -22.340  -3.870  -9.825
   51   1HA   GLY   7           HAS      GLY   7 -23.835  -5.381  -7.720
   52   2HA   GLY   7           HAR      GLY   7 -23.674  -5.956  -9.401
   53    H    SER   8           HN       SER   8 -21.686  -6.714 -10.147
   54    HA   SER   8           HA       SER   8 -19.788  -7.805  -8.280
   55   1HB   SER   8           HBR      SER   8 -19.956  -7.520 -11.256
   56   2HB   SER   8           HBS      SER   8 -18.373  -7.849 -10.495
   57    HG   SER   8           HG       SER   8 -20.732  -9.384 -10.789
   58    H    ASP   9           HN       ASP   9 -17.340  -7.169  -9.154
   59    HA   ASP   9           HA       ASP   9 -17.159  -4.231  -9.247
   60   1HB   ASP   9           HBS      ASP   9 -15.205  -5.867  -7.637
   61   2HB   ASP   9           HBR      ASP   9 -15.285  -4.091  -7.818
   62    H    GLY  10           HN       GLY  10 -14.360  -4.149  -9.514
   63   1HA   GLY  10           HAS      GLY  10 -13.258  -6.179 -11.088
   64   2HA   GLY  10           HAR      GLY  10 -13.794  -4.913 -12.225
   65    H    CYS  11           HN       CYS  11 -11.235  -5.298 -12.310
   66    HA   CYS  11           HA       CYS  11  -9.862  -3.529 -10.354
   67   1HB   CYS  11           HBS      CYS  11  -9.841  -6.114 -10.142
   68   2HB   CYS  11           HBR      CYS  11  -8.754  -6.052 -11.558
   69    HA   PRO  12           HA       PRO  12  -8.071  -1.554 -13.937
   70   1HB   PRO  12           HBR      PRO  12  -6.831  -0.004 -11.951
   71   2HB   PRO  12           HBS      PRO  12  -7.764   0.503 -13.204
   72   1HG   PRO  12           HGS      PRO  12  -8.526   0.493 -10.673
   73   2HG   PRO  12           HGR      PRO  12  -9.569   0.582 -11.973
   74   1HD   PRO  12           HDS      PRO  12  -9.109  -1.585 -10.261
   75   2HD   PRO  12           HDR      PRO  12 -10.361  -1.359 -11.317
   76    NH1  ARG  13           NH1      ARG  13  -2.815   0.367 -10.276
   77    NH2  ARG  13           NH2      ARG  13  -4.748   1.610 -10.267
   78    H    ARG  13           HN       ARG  13  -6.837  -3.306 -11.388
   79    HA   ARG  13           HA       ARG  13  -4.047  -2.831 -12.084
   80   1HB   ARG  13           HBS      ARG  13  -5.017  -4.883 -10.098
   81   2HB   ARG  13           HBR      ARG  13  -3.484  -3.967 -10.132
   82   1HG   ARG  13           HGS      ARG  13  -6.047  -2.454  -9.797
   83   2HG   ARG  13           HGR      ARG  13  -5.418  -3.390  -8.412
   84   1HD   ARG  13           HDS      ARG  13  -3.888  -1.862  -7.998
   85   2HD   ARG  13           HDR      ARG  13  -3.299  -1.926  -9.682
   86    HE   ARG  13           HE       ARG  13  -5.664  -0.280  -8.948
   87   1HH1  ARG  13           HH1      ARG  13  -2.312  -0.459 -10.026
   88   2HH1  ARG  13           HH1      ARG  13  -2.350   1.108 -10.760
   89   1HH2  ARG  13           HH2      ARG  13  -5.709   1.718 -10.016
   90   2HH2  ARG  13           HH2      ARG  13  -4.270   2.345 -10.748
   91    H    CYS  14           HN       CYS  14  -5.937  -5.844 -11.593
   92    HA   CYS  14           HA       CYS  14  -3.862  -7.266 -13.148
   93   1HB   CYS  14           HBS      CYS  14  -4.907  -9.316 -12.326
   94   2HB   CYS  14           HBR      CYS  14  -4.344  -8.233 -11.024
   95    H    GLY  15           HN       GLY  15  -6.989  -5.936 -13.476
   96   1HA   GLY  15           HAR      GLY  15  -8.173  -5.636 -15.445
   97   2HA   GLY  15           HAS      GLY  15  -7.041  -6.744 -16.265
   98    H    GLN  16           HN       GLN  16  -8.415  -7.872 -13.311
   99    HA   GLN  16           HA       GLN  16 -10.294  -9.635 -14.775
  100   1HB   GLN  16           HBR      GLN  16  -8.712  -9.964 -12.364
  101   2HB   GLN  16           HBS      GLN  16 -10.445 -10.281 -12.073
  102   1HG   GLN  16           HGS      GLN  16  -9.897 -11.564 -14.484
  103   2HG   GLN  16           HGR      GLN  16  -8.452 -11.870 -13.480
  104   1HE2  GLN  16           HE2      GLN  16 -10.934 -14.577 -12.960
  105   2HE2  GLN  16           HE2      GLN  16 -10.136 -13.891 -14.335
  106    H    ALA  17           HN       ALA  17 -12.392 -10.016 -13.616
  107    HA   ALA  17           HA       ALA  17 -13.360  -7.578 -12.213
  108   1HB   ALA  17           HMB      ALA  17 -14.533  -8.989 -14.553
  109   2HB   ALA  17           HMB      ALA  17 -15.650  -8.494 -13.255
  110   3HB   ALA  17           HMB      ALA  17 -14.627  -7.278 -14.061
  111    H    VAL  18           HN       VAL  18 -14.747  -7.947 -10.516
  112    HA   VAL  18           HA       VAL  18 -14.175 -10.576  -9.323
  113    HB   VAL  18           HB       VAL  18 -15.038  -8.082  -7.866
  114   1HG1  VAL  18           HMG      VAL  18 -13.814 -10.690  -7.097
  115   2HG1  VAL  18           HMG      VAL  18 -13.343  -9.233  -6.187
  116   3HG1  VAL  18           HMG      VAL  18 -15.055  -9.710  -6.278
  117   1HG2  VAL  18           HMG      VAL  18 -12.490  -8.588  -9.244
  118   2HG2  VAL  18           HMG      VAL  18 -13.224  -7.066  -8.686
  119   3HG2  VAL  18           HMG      VAL  18 -12.335  -8.098  -7.540
  120    OH   TYR  19           OH       TYR  19 -21.383 -16.433 -11.743
  121    H    TYR  19           HN       TYR  19 -15.635 -11.902  -8.454
  122    HA   TYR  19           HA       TYR  19 -18.160 -11.798  -9.794
  123   1HB   TYR  19           HBS      TYR  19 -16.575 -13.814  -9.032
  124   2HB   TYR  19           HBR      TYR  19 -17.680 -13.805  -7.628
  125    HD1  TYR  19           HD2      TYR  19 -17.781 -13.781 -11.373
  126    HD2  TYR  19           HD1      TYR  19 -19.615 -15.119  -7.776
  127    HE1  TYR  19           HE2      TYR  19 -19.422 -15.045 -12.689
  128    HE2  TYR  19           HE1      TYR  19 -21.244 -16.416  -9.082
  129    HH   TYR  19           HH       TYR  19 -22.150 -15.677 -11.904
  130    H    ALA  20           HN       ALA  20 -17.701 -12.551  -6.337
  131    HA   ALA  20           HA       ALA  20 -20.170 -11.194  -5.553
  132   1HB   ALA  20           HMB      ALA  20 -17.953 -12.656  -4.157
  133   2HB   ALA  20           HMB      ALA  20 -19.039 -11.587  -3.234
  134   3HB   ALA  20           HMB      ALA  20 -19.708 -12.961  -4.152
  135    H    ALA  21           HN       ALA  21 -17.006 -10.742  -4.034
  136    HA   ALA  21           HA       ALA  21 -16.233  -8.420  -5.353
  137   1HB   ALA  21           HMB      ALA  21 -18.033  -7.928  -3.025
  138   2HB   ALA  21           HMB      ALA  21 -16.606  -6.881  -3.224
  139   3HB   ALA  21           HMB      ALA  21 -17.812  -7.002  -4.531
  140    H    GLU  22           HN       GLU  22 -14.151  -8.149  -4.972
  141    HA   GLU  22           HA       GLU  22 -13.159  -8.524  -2.206
  142   1HB   GLU  22           HBR      GLU  22 -11.310  -9.105  -4.461
  143   2HB   GLU  22           HBS      GLU  22 -11.257  -9.562  -2.848
  144   1HG   GLU  22           HGS      GLU  22 -13.617 -10.741  -3.846
  145   2HG   GLU  22           HGR      GLU  22 -12.328 -11.163  -5.005
  146    H    LYS  23           HN       LYS  23 -14.138  -6.377  -4.137
  147    HA   LYS  23           HA       LYS  23 -11.625  -5.037  -4.932
  148   1HB   LYS  23           HBR      LYS  23 -13.300  -5.585  -6.676
  149   2HB   LYS  23           HBS      LYS  23 -14.502  -4.577  -5.822
  150   1HG   LYS  23           HGR      LYS  23 -11.890  -3.332  -6.649
  151   2HG   LYS  23           HGS      LYS  23 -13.140  -3.642  -7.887
  152   1HD   LYS  23           HDS      LYS  23 -14.166  -2.365  -5.458
  153   2HD   LYS  23           HDR      LYS  23 -12.933  -1.436  -6.265
  154   1HE   LYS  23           HES      LYS  23 -14.373  -0.736  -7.776
  155   2HE   LYS  23           HER      LYS  23 -14.681  -2.428  -8.262
  156   1HZ   LYS  23           HZB      LYS  23 -16.013  -1.092  -6.009
  157   2HZ   LYS  23           HZC      LYS  23 -16.656  -1.225  -7.503
  158   3HZ   LYS  23           HZA      LYS  23 -16.360  -2.566  -6.621
  159    H    VAL  24           HN       VAL  24 -11.626  -2.666  -4.998
  160    HA   VAL  24           HA       VAL  24 -12.409  -1.689  -2.316
  161    HB   VAL  24           HB       VAL  24 -10.528  -3.428  -2.463
  162   1HG1  VAL  24           HMG      VAL  24  -9.381  -1.806  -4.308
  163   2HG1  VAL  24           HMG      VAL  24  -8.538  -1.275  -2.834
  164   3HG1  VAL  24           HMG      VAL  24  -8.503  -2.990  -3.310
  165   1HG2  VAL  24           HMG      VAL  24 -11.167  -1.761  -0.567
  166   2HG2  VAL  24           HMG      VAL  24  -9.642  -2.677  -0.491
  167   3HG2  VAL  24           HMG      VAL  24  -9.631  -0.970  -0.995
  168    H    ILE  25           HN       ILE  25 -11.038   0.395  -1.867
  169    HA   ILE  25           HA       ILE  25 -10.829   2.045  -4.333
  170    HB   ILE  25           HB       ILE  25 -13.153   2.110  -3.291
  171   1HG1  ILE  25           HG1      ILE  25 -12.526   4.895  -3.044
  172   2HG1  ILE  25           HG1      ILE  25 -11.429   4.184  -4.262
  173   1HG2  ILE  25           HMG      ILE  25 -11.825   2.394  -0.890
  174   2HG2  ILE  25           HMG      ILE  25 -12.412   4.042  -1.235
  175   3HG2  ILE  25           HMG      ILE  25 -13.561   2.679  -1.182
  176   1HD1  ILE  25           HMD      ILE  25 -14.259   3.386  -4.525
  177   2HD1  ILE  25           HMD      ILE  25 -13.936   5.122  -4.776
  178   3HD1  ILE  25           HMD      ILE  25 -13.082   3.904  -5.762
  179    H    GLY  26           HN       GLY  26  -9.518   3.822  -4.205
  180   1HA   GLY  26           HAR      GLY  26  -8.608   4.929  -1.738
  181   2HA   GLY  26           HAS      GLY  26  -7.291   3.987  -2.485
  182    H    ALA  27           HN       ALA  27  -8.086   6.988  -2.098
  183    HA   ALA  27           HA       ALA  27  -7.460   8.938  -3.128
  184   1HB   ALA  27           HMB      ALA  27  -5.758   6.971  -4.290
  185   2HB   ALA  27           HMB      ALA  27  -6.322   8.058  -5.584
  186   3HB   ALA  27           HMB      ALA  27  -5.512   8.730  -4.146
  187    H    GLY  28           HN       GLY  28  -7.782   7.053  -6.113
  188   1HA   GLY  28           HAS      GLY  28 -10.599   7.736  -6.423
  189   2HA   GLY  28           HAR      GLY  28  -9.532   8.536  -7.608
  190    H    LYS  29           HN       LYS  29  -8.751   5.410  -6.213
  191    HA   LYS  29           HA       LYS  29  -8.995   4.236  -8.941
  192   1HB   LYS  29           HBR      LYS  29  -6.883   4.194  -6.858
  193   2HB   LYS  29           HBS      LYS  29  -7.218   2.637  -7.668
  194   1HG   LYS  29           HGR      LYS  29  -5.386   3.948  -8.744
  195   2HG   LYS  29           HGS      LYS  29  -6.754   3.603  -9.840
  196   1HD   LYS  29           HDS      LYS  29  -7.139   6.113  -8.464
  197   2HD   LYS  29           HDR      LYS  29  -5.578   6.072  -9.235
  198   1HE   LYS  29           HES      LYS  29  -8.259   5.679 -10.543
  199   2HE   LYS  29           HER      LYS  29  -7.080   7.000 -10.783
  200   1HZ   LYS  29           HZA      LYS  29  -5.916   4.491 -11.278
  201   2HZ   LYS  29           HZB      LYS  29  -7.249   4.680 -12.202
  202   3HZ   LYS  29           HZC      LYS  29  -6.046   5.782 -12.270
  203    H    SER  30           HN       SER  30  -9.475   2.019  -9.123
  204    HA   SER  30           HA       SER  30 -10.723   0.786  -6.720
  205   1HB   SER  30           HBR      SER  30 -12.476   1.026  -8.284
  206   2HB   SER  30           HBS      SER  30 -11.442   0.485  -9.638
  207    HG   SER  30           HG       SER  30 -12.716  -1.195  -9.215
  208    CH2  TRP  31           CH2      TRP  31  -3.728   2.123  -5.573
  209    H    TRP  31           HN       TRP  31 -10.147  -1.269  -6.201
  210    HA   TRP  31           HA       TRP  31  -8.038  -2.613  -7.758
  211   1HB   TRP  31           HBS      TRP  31  -7.353  -2.295  -4.909
  212   2HB   TRP  31           HBR      TRP  31  -6.322  -2.319  -6.367
  213    HD1  TRP  31           HD1      TRP  31  -9.019   0.311  -5.339
  214    HE1  TRP  31           HE1      TRP  31  -7.867   2.595  -5.097
  215    HE3  TRP  31           HE3      TRP  31  -4.220  -1.189  -6.112
  216    HZ2  TRP  31           HZ2      TRP  31  -5.246   3.591  -5.175
  217    HZ3  TRP  31           HZ3      TRP  31  -2.423   0.462  -5.863
  218    HH2  TRP  31           HH2      TRP  31  -2.922   2.823  -5.505
  219    H    HIS  32           HN       ZHI  32  -7.382  -4.666  -6.705
  220    HA   HIS  32           HA       ZHI  32  -9.584  -6.011  -5.283
  221   1HB   HIS  32           HBS      ZHI  32  -6.954  -6.966  -6.436
  222   2HB   HIS  32           HBR      ZHI  32  -7.805  -7.921  -5.188
  223    HD2  HIS  32           HD2      ZHI  32 -10.540  -8.573  -5.998
  224    HE1  HIS  32           HE1      ZHI  32  -9.370  -8.877 -10.032
  225    HE2  HIS  32           HE2      ZHI  32 -11.093  -9.561  -8.324
  226    H    LYS  33           HN       LYS  33  -9.495  -6.679  -3.195
  227    HA   LYS  33           HA       LYS  33  -7.914  -5.340  -1.268
  228   1HB   LYS  33           HBS      LYS  33  -9.377  -7.995  -1.152
  229   2HB   LYS  33           HBR      LYS  33  -8.575  -7.227   0.249
  230   1HG   LYS  33           HGR      LYS  33 -10.054  -5.241  -0.045
  231   2HG   LYS  33           HGS      LYS  33 -10.897  -6.101  -1.365
  232   1HD   LYS  33           HDS      LYS  33 -12.292  -6.851   0.158
  233   2HD   LYS  33           HDR      LYS  33 -11.009  -7.943   0.605
  234   1HE   LYS  33           HES      LYS  33 -10.455  -5.551   1.972
  235   2HE   LYS  33           HER      LYS  33 -12.208  -5.854   2.134
  236   1HZ   LYS  33           HZB      LYS  33 -10.388  -8.072   2.544
  237   2HZ   LYS  33           HZC      LYS  33 -10.492  -6.947   3.724
  238   3HZ   LYS  33           HZA      LYS  33 -11.827  -7.760   3.251
  239    H    SER  34           HN       SER  34  -7.188  -7.934  -3.408
  240    HA   SER  34           HA       SER  34  -4.807  -8.696  -1.855
  241   1HB   SER  34           HBS      SER  34  -5.542  -9.844  -4.530
  242   2HB   SER  34           HBR      SER  34  -4.664 -10.592  -3.165
  243    HG   SER  34           HG       SER  34  -6.385 -11.190  -2.208
  244    H    CYS  35           HN       CYS  35  -5.744  -6.940  -4.741
  245    HA   CYS  35           HA       CYS  35  -3.013  -6.758  -5.802
  246   1HB   CYS  35           HBS      CYS  35  -5.677  -5.596  -6.584
  247   2HB   CYS  35           HBR      CYS  35  -4.144  -4.973  -7.258
  248    H    PHE  36           HN       PHE  36  -4.983  -5.281  -3.423
  249    HA   PHE  36           HA       PHE  36  -3.929  -2.643  -3.408
  250   1HB   PHE  36           HBR      PHE  36  -5.863  -3.838  -1.924
  251   2HB   PHE  36           HBS      PHE  36  -4.512  -3.873  -0.754
  252    HD1  PHE  36           HD2      PHE  36  -3.107  -1.320  -1.241
  253    HD2  PHE  36           HD1      PHE  36  -7.272  -2.213  -1.393
  254    HE1  PHE  36           HE2      PHE  36  -3.632   1.022  -0.626
  255    HE2  PHE  36           HE1      PHE  36  -7.812   0.152  -1.022
  256    HZ   PHE  36           HZ       PHE  36  -5.992   1.785  -0.706
  257    NH1  ARG  37           NH1      ARG  37   1.315  -5.877  -8.127
  258    NH2  ARG  37           NH2      ARG  37   0.554  -3.725  -8.379
  259    H    ARG  37           HN       ARG  37  -1.746  -2.740  -3.830
  260    HA   ARG  37           HA       ARG  37  -0.045  -4.123  -1.809
  261   1HB   ARG  37           HBR      ARG  37   0.525  -3.723  -4.763
  262   2HB   ARG  37           HBS      ARG  37   1.538  -4.589  -3.572
  263   1HG   ARG  37           HGS      ARG  37   0.160  -6.435  -3.534
  264   2HG   ARG  37           HGR      ARG  37  -1.282  -5.507  -4.036
  265   1HD   ARG  37           HDS      ARG  37   1.022  -6.486  -5.694
  266   2HD   ARG  37           HDR      ARG  37  -0.723  -6.815  -5.880
  267    HE   ARG  37           HE       ARG  37  -0.731  -4.200  -6.311
  268   1HH1  ARG  37           HH1      ARG  37   1.346  -6.734  -7.613
  269   2HH1  ARG  37           HH1      ARG  37   1.817  -5.793  -8.988
  270   1HH2  ARG  37           HH2      ARG  37   0.009  -2.952  -8.052
  271   2HH2  ARG  37           HH2      ARG  37   1.056  -3.654  -9.241
  272    H    CYS  38           HN       CYS  38   1.216  -2.854  -0.691
  273    HA   CYS  38           HA       CYS  38   2.005  -0.187  -1.284
  274   1HB   CYS  38           HBS      CYS  38   2.197  -1.435   0.907
  275   2HB   CYS  38           HBR      CYS  38   3.646  -2.225   0.219
  276    H    ALA  39           HN       ALA  39   2.741   0.248  -3.257
  277    HA   ALA  39           HA       ALA  39   4.704  -1.185  -4.710
  278   1HB   ALA  39           HMB      ALA  39   3.201   0.775  -5.427
  279   2HB   ALA  39           HMB      ALA  39   4.466   1.818  -4.729
  280   3HB   ALA  39           HMB      ALA  39   4.866   0.702  -6.060
  281    H    LYS  40           HN       LYS  40   4.916   0.590  -1.788
  282    HA   LYS  40           HA       LYS  40   7.489   1.816  -2.267
  283   1HB   LYS  40           HBR      LYS  40   5.495   2.496  -0.654
  284   2HB   LYS  40           HBS      LYS  40   6.399   1.476   0.501
  285   1HG   LYS  40           HGR      LYS  40   7.182   3.676   0.869
  286   2HG   LYS  40           HGS      LYS  40   8.454   2.883  -0.106
  287   1HD   LYS  40           HDS      LYS  40   6.369   4.293  -1.643
  288   2HD   LYS  40           HDR      LYS  40   7.337   5.307  -0.609
  289   1HE   LYS  40           HES      LYS  40   9.396   4.309  -1.616
  290   2HE   LYS  40           HER      LYS  40   8.323   3.476  -2.776
  291   1HZ   LYS  40           HZA      LYS  40   7.841   6.276  -2.540
  292   2HZ   LYS  40           HZB      LYS  40   9.331   5.925  -3.108
  293   3HZ   LYS  40           HZC      LYS  40   8.008   5.354  -3.877
  294    H    CYS  41           HN       CYS  41   6.387  -0.641   0.114
  295    HA   CYS  41           HA       CYS  41   9.246  -1.339   0.539
  296   1HB   CYS  41           HBS      CYS  41   8.590  -2.480   2.551
  297   2HB   CYS  41           HBR      CYS  41   8.099  -0.766   2.570
  298    H    GLY  42           HN       GLY  42   6.199  -2.444  -0.733
  299   1HA   GLY  42           HAR      GLY  42   6.308  -3.945  -2.618
  300   2HA   GLY  42           HAS      GLY  42   7.643  -4.814  -1.816
  301    H    LYS  43           HN       LYS  43   4.926  -3.755   0.086
  302    HA   LYS  43           HA       LYS  43   4.313  -6.615   0.604
  303   1HB   LYS  43           HBS      LYS  43   5.267  -5.222   2.448
  304   2HB   LYS  43           HBR      LYS  43   3.802  -4.201   2.370
  305   1HG   LYS  43           HGR      LYS  43   3.616  -5.816   4.192
  306   2HG   LYS  43           HGS      LYS  43   2.415  -6.177   2.918
  307   1HD   LYS  43           HDS      LYS  43   3.354  -8.225   3.693
  308   2HD   LYS  43           HDR      LYS  43   3.805  -7.924   2.037
  309   1HE   LYS  43           HES      LYS  43   5.680  -8.824   3.273
  310   2HE   LYS  43           HER      LYS  43   6.002  -7.158   2.711
  311   1HZ   LYS  43           HZB      LYS  43   4.837  -7.286   5.304
  312   2HZ   LYS  43           HZC      LYS  43   6.289  -8.030   5.228
  313   3HZ   LYS  43           HZA      LYS  43   6.152  -6.464   4.789
  314    H    SER  44           HN       SER  44   2.554  -7.277  -0.389
  315    HA   SER  44           HA       SER  44   0.209  -5.665  -0.916
  316   1HB   SER  44           HBR      SER  44  -0.052  -8.609  -0.624
  317   2HB   SER  44           HBS      SER  44  -0.673  -7.494  -1.876
  318    HG   SER  44           HG       SER  44   0.752  -8.440  -3.039
  319    H    LEU  45           HN       LEU  45  -1.118  -4.920   0.534
  320    HA   LEU  45           HA       LEU  45  -1.950  -6.549   2.768
  321   1HB   LEU  45           HBR      LEU  45  -1.430  -4.660   4.421
  322   2HB   LEU  45           HBS      LEU  45  -0.111  -5.758   3.923
  323    HG   LEU  45           HG       LEU  45   0.693  -3.993   2.364
  324   1HD1  LEU  45           HMD      LEU  45  -1.527  -2.807   2.225
  325   2HD1  LEU  45           HMD      LEU  45  -1.220  -2.187   3.867
  326   3HD1  LEU  45           HMD      LEU  45  -0.122  -1.757   2.531
  327   1HD2  LEU  45           HMD      LEU  45   0.921  -4.270   5.145
  328   2HD2  LEU  45           HMD      LEU  45   2.036  -3.413   4.051
  329   3HD2  LEU  45           HMD      LEU  45   0.726  -2.521   4.867
  330    H    GLU  46           HN       GLU  46  -3.375  -4.852   4.233
  331    HA   GLU  46           HA       GLU  46  -5.025  -3.076   2.855
  332   1HB   GLU  46           HBR      GLU  46  -6.917  -4.476   2.253
  333   2HB   GLU  46           HBS      GLU  46  -5.529  -4.741   1.346
  334   1HG   GLU  46           HGS      GLU  46  -5.520  -6.891   1.702
  335   2HG   GLU  46           HGR      GLU  46  -5.317  -6.657   3.460
  336    H    SER  47           HN       SER  47  -4.660  -5.677   5.186
  337    HA   SER  47           HA       SER  47  -7.130  -5.480   6.470
  338   1HB   SER  47           HBR      SER  47  -4.524  -6.739   7.049
  339   2HB   SER  47           HBS      SER  47  -5.537  -6.377   8.477
  340    HG   SER  47           HG       SER  47  -7.101  -7.648   7.910
  341    H    THR  48           HN       THR  48  -4.041  -4.421   7.941
  342    HA   THR  48           HA       THR  48  -5.235  -2.992  10.001
  343    HB   THR  48           HB       THR  48  -2.492  -2.330   8.799
  344    HG1  THR  48           HG1      THR  48  -1.775  -3.846   9.645
  345   1HG2  THR  48           HMG      THR  48  -3.658  -1.052  10.848
  346   2HG2  THR  48           HMG      THR  48  -2.947  -2.427  11.732
  347   3HG2  THR  48           HMG      THR  48  -1.905  -1.357  10.759
  348    H    THR  49           HN       THR  49  -3.329  -1.296   7.513
  349    HA   THR  49           HA       THR  49  -5.440  -0.067   6.218
  350    HB   THR  49           HB       THR  49  -5.912   1.154   8.356
  351    HG1  THR  49           HG1      THR  49  -6.420   2.604   7.379
  352   1HG2  THR  49           HMG      THR  49  -3.519   1.349   9.123
  353   2HG2  THR  49           HMG      THR  49  -3.318   2.647   7.917
  354   3HG2  THR  49           HMG      THR  49  -4.490   2.839   9.246
  355    H    LEU  50           HN       LEU  50  -4.459   2.330   5.406
  356    HA   LEU  50           HA       LEU  50  -1.693   2.133   4.546
  357   1HB   LEU  50           HBR      LEU  50  -2.547   1.697   2.126
  358   2HB   LEU  50           HBS      LEU  50  -2.276   0.339   3.255
  359    HG   LEU  50           HG       LEU  50  -4.842   0.602   3.716
  360   1HD1  LEU  50           HMD      LEU  50  -4.428   1.967   1.048
  361   2HD1  LEU  50           HMD      LEU  50  -5.957   1.164   1.487
  362   3HD1  LEU  50           HMD      LEU  50  -5.361   2.534   2.457
  363   1HD2  LEU  50           HMD      LEU  50  -3.277  -0.727   1.563
  364   2HD2  LEU  50           HMD      LEU  50  -4.263  -1.428   2.871
  365   3HD2  LEU  50           HMD      LEU  50  -5.053  -0.774   1.414
  366    H    ALA  51           HN       ALA  51  -1.811   3.432   2.182
  367    HA   ALA  51           HA       ALA  51  -3.188   5.996   2.747
  368   1HB   ALA  51           HMB      ALA  51  -0.211   5.488   2.818
  369   2HB   ALA  51           HMB      ALA  51  -0.913   7.101   2.534
  370   3HB   ALA  51           HMB      ALA  51  -1.251   6.240   4.056
  371    H    ASP  52           HN       ASP  52  -4.289   5.452   0.795
  372    HA   ASP  52           HA       ASP  52  -2.850   5.455  -1.720
  373   1HB   ASP  52           HBR      ASP  52  -5.038   5.749  -2.755
  374   2HB   ASP  52           HBS      ASP  52  -4.965   4.360  -1.633
  375    H    LYS  53           HN       LYS  53  -2.632   7.100  -3.180
  376    HA   LYS  53           HA       LYS  53  -3.828   9.642  -2.904
  377   1HB   LYS  53           HBS      LYS  53  -1.920  11.061  -2.435
  378   2HB   LYS  53           HBR      LYS  53  -2.258   9.980  -1.055
  379   1HG   LYS  53           HGR      LYS  53  -0.037   9.586  -1.080
  380   2HG   LYS  53           HGS      LYS  53  -0.402   8.524  -2.471
  381   1HD   LYS  53           HDS      LYS  53   0.583   9.857  -3.944
  382   2HD   LYS  53           HDR      LYS  53  -0.106  11.297  -3.247
  383   1HE   LYS  53           HES      LYS  53   2.041  11.752  -2.769
  384   2HE   LYS  53           HER      LYS  53   1.651  10.772  -1.327
  385   1HZ   LYS  53           HZC      LYS  53   2.534   8.865  -2.506
  386   2HZ   LYS  53           HZA      LYS  53   2.945   9.800  -3.781
  387   3HZ   LYS  53           HZB      LYS  53   3.668  10.028  -2.334
  388    H    ASP  54           HN       ASP  54  -3.426  10.959  -4.674
  389    HA   ASP  54           HA       ASP  54  -3.147  11.310  -6.885
  390   1HB   ASP  54           HBS      ASP  54  -0.554  10.480  -5.995
  391   2HB   ASP  54           HBR      ASP  54  -0.863   9.872  -7.647
  392    H    GLY  55           HN       GLY  55  -1.505   8.240  -7.239
  393   1HA   GLY  55           HAR      GLY  55  -3.964   6.771  -7.744
  394   2HA   GLY  55           HAS      GLY  55  -2.990   7.037  -9.214
  395    H    GLU  56           HN       GLU  56  -1.434   6.846  -6.093
  396    HA   GLU  56           HA       GLU  56  -1.024   3.964  -6.230
  397   1HB   GLU  56           HBR      GLU  56   1.441   4.207  -6.097
  398   2HB   GLU  56           HBS      GLU  56   0.714   4.484  -7.584
  399   1HG   GLU  56           HGS      GLU  56   0.712   7.022  -6.476
  400   2HG   GLU  56           HGR      GLU  56   2.337   6.406  -6.072
  401    H    ILE  57           HN       ILE  57   0.525   3.388  -4.313
  402    HA   ILE  57           HA       ILE  57  -0.549   4.847  -1.951
  403    HB   ILE  57           HB       ILE  57  -1.517   2.717  -1.149
  404   1HG1  ILE  57           HG1      ILE  57  -0.676   1.583  -3.845
  405   2HG1  ILE  57           HG1      ILE  57   0.094   1.229  -2.273
  406   1HG2  ILE  57           HMG      ILE  57  -2.436   3.970  -3.666
  407   2HG2  ILE  57           HMG      ILE  57  -3.157   2.390  -3.257
  408   3HG2  ILE  57           HMG      ILE  57  -3.273   3.748  -2.107
  409   1HD1  ILE  57           HMD      ILE  57  -2.105   0.296  -1.505
  410   2HD1  ILE  57           HMD      ILE  57  -2.698   0.479  -3.178
  411   3HD1  ILE  57           HMD      ILE  57  -1.327  -0.609  -2.830
  412    OH   TYR  58           OH       TYR  58   1.983   9.252   2.225
  413    H    TYR  58           HN       TYR  58   0.400   4.329   0.029
  414    HA   TYR  58           HA       TYR  58   2.336   2.137   0.057
  415   1HB   TYR  58           HBS      TYR  58   3.805   3.418   1.693
  416   2HB   TYR  58           HBR      TYR  58   3.929   3.888  -0.026
  417    HD1  TYR  58           HD2      TYR  58   2.461   5.920  -0.744
  418    HD2  TYR  58           HD1      TYR  58   3.402   5.083   3.318
  419    HE1  TYR  58           HE2      TYR  58   1.952   8.248  -0.155
  420    HE2  TYR  58           HE1      TYR  58   2.914   7.417   3.917
  421    HH   TYR  58           HH       TYR  58   2.434   9.838   1.427
  422    H    CYS  59           HN       CYS  59   2.857   1.698   2.500
  423    HA   CYS  59           HA       CYS  59   0.099   1.122   3.266
  424   1HB   CYS  59           HBS      CYS  59   0.787  -0.989   3.923
  425   2HB   CYS  59           HBR      CYS  59   1.595  -0.607   2.386
  426    H    LYS  60           HN       LYS  60  -0.358   0.413   5.517
  427    HA   LYS  60           HA       LYS  60   0.475   2.493   7.440
  428   1HB   LYS  60           HBR      LYS  60  -1.872   1.695   7.425
  429   2HB   LYS  60           HBS      LYS  60  -1.292   0.050   7.810
  430   1HG   LYS  60           HGR      LYS  60  -1.955   0.886   9.889
  431   2HG   LYS  60           HGS      LYS  60  -0.189   1.161   9.882
  432   1HD   LYS  60           HDS      LYS  60  -0.366   3.395   9.816
  433   2HD   LYS  60           HDR      LYS  60  -1.773   3.364   8.790
  434   1HE   LYS  60           HES      LYS  60  -2.980   2.450  10.934
  435   2HE   LYS  60           HER      LYS  60  -1.602   3.241  11.750
  436   1HZ   LYS  60           HZA      LYS  60  -2.189   5.264  10.616
  437   2HZ   LYS  60           HZB      LYS  60  -3.448   4.543   9.868
  438   3HZ   LYS  60           HZC      LYS  60  -3.459   4.726  11.490
  439    H    GLY  61           HN       GLY  61   1.321  -0.658   6.336
  440   1HA   GLY  61           HAR      GLY  61   2.934  -1.563   8.509
  441   2HA   GLY  61           HAS      GLY  61   3.160  -1.955   6.783
  442    H    CYS  62           HN       CYS  62   3.164   1.193   6.493
  443    HA   CYS  62           HA       CYS  62   6.104   1.276   6.689
  444   1HB   CYS  62           HBS      CYS  62   4.052   1.995   4.704
  445   2HB   CYS  62           HBR      CYS  62   5.331   3.224   4.906
  446    OH   TYR  63           OH       TYR  63   1.480  10.136  11.248
  447    H    TYR  63           HN       TYR  63   3.275   3.447   6.889
  448    HA   TYR  63           HA       TYR  63   4.532   5.556   8.346
  449   1HB   TYR  63           HBS      TYR  63   2.251   5.605   7.249
  450   2HB   TYR  63           HBR      TYR  63   1.656   4.618   8.613
  451    HD1  TYR  63           HD1      TYR  63   1.539   5.613  10.893
  452    HD2  TYR  63           HD2      TYR  63   2.782   7.940   7.557
  453    HE1  TYR  63           HE1      TYR  63   1.196   7.664  12.202
  454    HE2  TYR  63           HE2      TYR  63   2.396   9.997   8.837
  455    HH   TYR  63           HH       TYR  63   2.322  10.765  10.963
  456    H    ALA  64           HN       ALA  64   3.697   2.309   9.136
  457    HA   ALA  64           HA       ALA  64   3.992   2.730  12.010
  458   1HB   ALA  64           HMB      ALA  64   3.680   0.295  10.249
  459   2HB   ALA  64           HMB      ALA  64   3.948   0.201  12.008
  460   3HB   ALA  64           HMB      ALA  64   2.501   1.022  11.370
  461    H    LYS  65           HN       LYS  65   5.760   0.661   9.669
  462    HA   LYS  65           HA       LYS  65   7.712  -0.068  11.467
  463   1HB   LYS  65           HBR      LYS  65   7.400  -0.207   8.537
  464   2HB   LYS  65           HBS      LYS  65   9.091  -0.245   9.108
  465   1HG   LYS  65           HGR      LYS  65   8.869  -2.297  10.077
  466   2HG   LYS  65           HGS      LYS  65   7.163  -2.023  10.530
  467   1HD   LYS  65           HDS      LYS  65   7.357  -3.797   8.897
  468   2HD   LYS  65           HDR      LYS  65   6.412  -2.448   8.330
  469   1HE   LYS  65           HES      LYS  65   8.369  -1.606   7.069
  470   2HE   LYS  65           HER      LYS  65   9.256  -3.071   7.579
  471   1HZ   LYS  65           HZC      LYS  65   7.526  -4.364   6.494
  472   2HZ   LYS  65           HZA      LYS  65   6.802  -2.999   5.963
  473   3HZ   LYS  65           HZB      LYS  65   8.300  -3.387   5.438
  474    H    ASN  66           HN       ASN  66   7.420   2.920   9.803
  475    HA   ASN  66           HA       ASN  66  10.162   3.722  10.547
  476   1HB   ASN  66           HBS      ASN  66   8.290   4.635   8.572
  477   2HB   ASN  66           HBR      ASN  66   8.756   5.975   9.661
  478   1HD2  ASN  66           HD2      ASN  66  12.367   5.160   8.858
  479   2HD2  ASN  66           HD2      ASN  66  11.392   5.008  10.283
  480    H    PHE  67           HN       PHE  67   6.755   4.441  11.284
  481    HA   PHE  67           HA       PHE  67   5.770   5.718  12.915
  482   1HB   PHE  67           HBR      PHE  67   6.876   3.710  14.160
  483   2HB   PHE  67           HBS      PHE  67   8.045   4.927  14.749
  484    HD1  PHE  67           HD1      PHE  67   4.397   4.792  14.158
  485    HD2  PHE  67           HD2      PHE  67   7.488   5.651  16.962
  486    HE1  PHE  67           HE1      PHE  67   2.702   5.541  15.765
  487    HE2  PHE  67           HE2      PHE  67   5.798   6.412  18.600
  488    HZ   PHE  67           HZ       PHE  67   3.403   6.409  17.964
  489    H    GLY  68           HN       GLY  68   8.117   6.910  11.327
  490   1HA   GLY  68           HAR      GLY  68   8.623   9.292  13.007
  491   2HA   GLY  68           HAS      GLY  68  10.034   8.295  12.550
  492    HA   PRO  69           HA       PRO  69   9.779  11.498   9.528
  493   1HB   PRO  69           HBR      PRO  69  12.390  10.955   8.735
  494   2HB   PRO  69           HBS      PRO  69  11.831  12.278   9.530
  495   1HG   PRO  69           HGS      PRO  69  13.375  10.398  10.594
  496   2HG   PRO  69           HGR      PRO  69  12.513  11.530  11.463
  497   1HD   PRO  69           HDS      PRO  69  11.961   8.797  11.122
  498   2HD   PRO  69           HDR      PRO  69  11.385   9.826  12.282
  499    H    LYS  70           HN       LYS  70  11.996   9.374   7.971
  500    HA   LYS  70           HA       LYS  70  10.305   8.343   5.947
  501   1HB   LYS  70           HBR      LYS  70  11.023   9.968   4.124
  502   2HB   LYS  70           HBS      LYS  70   9.711  10.486   5.220
  503   1HG   LYS  70           HGR      LYS  70  11.290  11.877   6.480
  504   2HG   LYS  70           HGS      LYS  70  12.628  11.332   5.429
  505   1HD   LYS  70           HDS      LYS  70  12.205  12.897   3.959
  506   2HD   LYS  70           HDR      LYS  70  10.587  12.289   3.746
  507   1HE   LYS  70           HES      LYS  70   9.725  14.083   4.689
  508   2HE   LYS  70           HER      LYS  70  10.636  13.734   6.185
  509   1HZ   LYS  70           HZC      LYS  70  12.542  14.788   4.833
  510   2HZ   LYS  70           HZA      LYS  70  11.340  15.489   3.980
  511   3HZ   LYS  70           HZB      LYS  70  11.456  15.745   5.589
  512    H    GLY  71           HN       GLY  71  13.399   9.736   6.904
  513   1HA   GLY  71           HAS      GLY  71  14.904   9.152   4.656
  514   2HA   GLY  71           HAR      GLY  71  15.582   9.330   6.296
  515    H    PHE  72           HN       PHE  72  14.589   7.136   3.788
  516    HA   PHE  72           HA       PHE  72  16.608   5.356   4.374
  517   1HB   PHE  72           HBS      PHE  72  15.204   4.690   6.382
  518   2HB   PHE  72           HBR      PHE  72  13.987   4.066   5.231
  519    HD1  PHE  72           HD2      PHE  72  17.564   3.600   6.327
  520    HD2  PHE  72           HD1      PHE  72  14.194   2.054   4.227
  521    HE1  PHE  72           HE2      PHE  72  18.748   1.451   6.019
  522    HE2  PHE  72           HE1      PHE  72  15.347  -0.087   3.908
  523    HZ   PHE  72           HZ       PHE  72  17.649  -0.371   4.749
  524    H    GLY  73           HN       GLY  73  17.038   4.942   2.352
  525   1HA   GLY  73           HAS      GLY  73  14.968   3.872   0.519
  526   2HA   GLY  73           HAR      GLY  73  15.690   5.458   0.142
  527    H    PHE  74           HN       PHE  74  15.823   2.426  -0.801
  528    HA   PHE  74           HA       PHE  74  17.257   1.322  -2.181
  529   1HB   PHE  74           HBS      PHE  74  17.741   3.949  -2.734
  530   2HB   PHE  74           HBR      PHE  74  19.364   3.423  -2.200
  531    HD1  PHE  74           HD1      PHE  74  20.488   1.612  -3.283
  532    HD2  PHE  74           HD2      PHE  74  16.898   3.217  -4.924
  533    HE1  PHE  74           HE1      PHE  74  20.976   0.479  -5.404
  534    HE2  PHE  74           HE2      PHE  74  17.369   2.088  -7.074
  535    HZ   PHE  74           HZ       PHE  74  19.388   0.666  -7.282
  536    H    GLY  75           HN       GLY  75  19.241   0.183  -2.293
  537   1HA   GLY  75           HAR      GLY  75  21.594   0.201  -1.401
  538   2HA   GLY  75           HAS      GLY  75  20.857   0.230   0.224
  539    H    GLN  76           HN       GLN  76  22.652  -1.748  -0.738
  540    HA   GLN  76           HA       GLN  76  22.946  -3.969  -0.376
  541   1HB   GLN  76           HBR      GLN  76  21.227  -3.378   1.479
  542   2HB   GLN  76           HBS      GLN  76  20.082  -4.293   0.458
  543   1HG   GLN  76           HGS      GLN  76  20.907  -5.843   2.020
  544   2HG   GLN  76           HGR      GLN  76  21.782  -6.183   0.499
  545   1HE2  GLN  76           HE2      GLN  76  24.473  -6.420   2.796
  546   2HE2  GLN  76           HE2      GLN  76  23.214  -7.314   2.011
  547    H    GLY  77           HN       GLY  77  19.511  -3.882  -1.379
  548   1HA   GLY  77           HAS      GLY  77  19.614  -6.336  -2.702
  549   2HA   GLY  77           HAR      GLY  77  18.364  -5.091  -2.966
  550    H    ALA  78           HN       ALA  78  18.678  -3.515  -4.604
  551    HA   ALA  78           HA       ALA  78  19.318  -2.712  -6.649
  552   1HB   ALA  78           HMB      ALA  78  21.423  -2.562  -5.069
  553   2HB   ALA  78           HMB      ALA  78  22.079  -3.768  -6.206
  554   3HB   ALA  78           HMB      ALA  78  21.531  -2.182  -6.807
  555    H    GLY  79           HN       GLY  79  18.375  -3.785  -8.241
  556   1HA   GLY  79           HAR      GLY  79  18.263  -5.073 -10.163
  557   2HA   GLY  79           HAS      GLY  79  19.961  -5.555  -9.906
  558    H    ALA  80           HN       ALA  80  17.068  -6.836 -10.294
  559    HA   ALA  80           HA       ALA  80  17.522  -9.225  -8.656
  560   1HB   ALA  80           HMB      ALA  80  15.291  -7.254  -8.118
  561   2HB   ALA  80           HMB      ALA  80  15.265  -8.953  -7.583
  562   3HB   ALA  80           HMB      ALA  80  16.535  -7.853  -6.991
  563    H    LEU  81           HN       LEU  81  14.714  -7.556 -10.129
  564    HA   LEU  81           HA       LEU  81  13.531  -9.973 -10.950
  565   1HB   LEU  81           HBS      LEU  81  13.104  -7.047 -11.389
  566   2HB   LEU  81           HBR      LEU  81  12.208  -8.200 -12.419
  567    HG   LEU  81           HG       LEU  81  12.128  -8.178  -9.393
  568   1HD1  LEU  81           HMD      LEU  81  10.148  -7.100 -11.427
  569   2HD1  LEU  81           HMD      LEU  81   9.883  -7.218  -9.669
  570   3HD1  LEU  81           HMD      LEU  81  11.140  -6.130 -10.310
  571   1HD2  LEU  81           HMD      LEU  81  11.702 -10.323 -10.610
  572   2HD2  LEU  81           HMD      LEU  81  10.300  -9.718  -9.692
  573   3HD2  LEU  81           HMD      LEU  81  10.359  -9.518 -11.461
  574    H    ILE  82           HN       ILE  82  13.962  -7.520 -13.421
  575    HA   ILE  82           HA       ILE  82  14.678  -9.703 -15.271
  576    HB   ILE  82           HB       ILE  82  13.712  -6.882 -15.933
  577   1HG1  ILE  82           HG1      ILE  82  12.079  -7.766 -14.453
  578   2HG1  ILE  82           HG1      ILE  82  11.426  -7.925 -16.107
  579   1HG2  ILE  82           HMG      ILE  82  13.921  -9.442 -17.495
  580   2HG2  ILE  82           HMG      ILE  82  12.765  -8.164 -17.955
  581   3HG2  ILE  82           HMG      ILE  82  14.513  -7.810 -17.905
  582   1HD1  ILE  82           HMD      ILE  82  12.386 -10.344 -15.976
  583   2HD1  ILE  82           HMD      ILE  82  12.381 -10.057 -14.215
  584   3HD1  ILE  82           HMD      ILE  82  10.859  -9.952 -15.141
  585    H    HIS  83           HN       HIS  83  16.003  -9.022 -17.198
  586    HA   HIS  83           HA       HIS  83  18.434  -7.652 -16.160
  587   1HB   HIS  83           HBR      HIS  83  18.670  -9.807 -18.237
  588   2HB   HIS  83           HBS      HIS  83  19.806  -9.312 -16.949
  589    HD1  HIS  83           HD1      HIS  83  18.781  -9.973 -14.373
  590    HD2  HIS  83           HD2      HIS  83  17.469 -12.133 -17.684
  591    HE1  HIS  83           HE1      HIS  83  17.967 -12.177 -13.502
  592    HE2  HIS  83           HE2      HIS  83  17.193 -13.498 -15.504
  593    H    SER  84           HN       SER  84  18.474  -5.745 -17.127
  594    HA   SER  84           HA       SER  84  18.950  -4.231 -18.759
  595   1HB   SER  84           HBS      SER  84  20.596  -6.089 -19.292
  596   2HB   SER  84           HBR      SER  84  19.482  -6.563 -20.606
  597    HG   SER  84           HG       SER  84  20.700  -3.967 -20.090
  598    H    GLN  85           HN       GLN  85  17.477  -3.017 -19.630
  599    HA   GLN  85           HA       GLN  85  16.264  -3.747 -22.082
  600   1HB   GLN  85           HBS      GLN  85  13.884  -3.430 -21.457
  601   2HB   GLN  85           HBR      GLN  85  14.616  -4.955 -20.885
  602   1HG   GLN  85           HGS      GLN  85  14.967  -3.034 -18.831
  603   2HG   GLN  85           HGR      GLN  85  13.276  -2.903 -19.394
  604   1HE2  GLN  85           HE2      GLN  85  14.632  -6.125 -17.283
  605   2HE2  GLN  85           HE2      GLN  85  15.674  -4.840 -17.794
   
  Start of MODEL          18
 Raw file had  605 H/Q atoms
  Start of MODEL   18
    1   1H    MET   1           HN       MET   1 -20.685 -12.633 -28.206
    2   2H    MET   1           HNB      MET   1 -21.707 -12.983 -29.431
    3   3H    MET   1           HNC      MET   1 -22.156 -11.925 -28.269
    4    HA   MET   1           HA       MET   1 -23.294 -13.723 -27.616
    5   1HB   MET   1           HBS      MET   1 -21.102 -15.094 -29.039
    6   2HB   MET   1           HBR      MET   1 -21.723 -15.959 -27.604
    7   1HG   MET   1           HGS      MET   1 -24.050 -15.693 -28.515
    8   2HG   MET   1           HGR      MET   1 -23.347 -14.944 -29.970
    9   1HE   MET   1           HME      MET   1 -25.023 -17.254 -30.662
   10   2HE   MET   1           HME      MET   1 -24.423 -18.921 -30.467
   11   3HE   MET   1           HME      MET   1 -24.943 -17.989 -29.041
   12    H    ALA   2           HN       ALA   2 -23.390 -13.057 -25.582
   13    HA   ALA   2           HA       ALA   2 -21.961 -14.428 -23.623
   14   1HB   ALA   2           HMB      ALA   2 -20.444 -12.259 -24.576
   15   2HB   ALA   2           HMB      ALA   2 -21.103 -11.748 -23.000
   16   3HB   ALA   2           HMB      ALA   2 -20.155 -13.252 -23.124
   17    H    GLN   3           HN       GLN   3 -22.751 -10.953 -23.539
   18    HA   GLN   3           HA       GLN   3 -24.209  -9.764 -22.267
   19   1HB   GLN   3           HBR      GLN   3 -25.854 -11.620 -23.374
   20   2HB   GLN   3           HBS      GLN   3 -26.076 -11.954 -21.634
   21   1HG   GLN   3           HGS      GLN   3 -26.985  -9.881 -21.208
   22   2HG   GLN   3           HGR      GLN   3 -26.198  -9.126 -22.624
   23   1HE2  GLN   3           HE2      GLN   3 -29.991 -10.005 -22.866
   24   2HE2  GLN   3           HE2      GLN   3 -29.074  -9.653 -21.439
   25    H    LYS   4           HN       LYS   4 -22.469  -9.738 -20.776
   26    HA   LYS   4           HA       LYS   4 -22.979 -11.367 -18.328
   27   1HB   LYS   4           HBR      LYS   4 -20.510 -10.612 -19.644
   28   2HB   LYS   4           HBS      LYS   4 -20.587  -9.930 -17.995
   29   1HG   LYS   4           HGR      LYS   4 -21.441 -12.507 -17.571
   30   2HG   LYS   4           HGS      LYS   4 -20.257 -12.729 -18.890
   31   1HD   LYS   4           HDS      LYS   4 -18.699 -11.262 -17.469
   32   2HD   LYS   4           HDR      LYS   4 -19.824 -11.547 -16.170
   33   1HE   LYS   4           HES      LYS   4 -18.089 -13.137 -15.941
   34   2HE   LYS   4           HER      LYS   4 -19.553 -13.990 -16.504
   35   1HZ   LYS   4           HZA      LYS   4 -17.926 -13.071 -18.634
   36   2HZ   LYS   4           HZB      LYS   4 -17.118 -14.097 -17.654
   37   3HZ   LYS   4           HZC      LYS   4 -18.521 -14.566 -18.348
   38    H    VAL   5           HN       VAL   5 -24.443 -10.217 -17.248
   39    HA   VAL   5           HA       VAL   5 -24.223  -7.275 -17.248
   40    HB   VAL   5           HB       VAL   5 -26.560  -8.966 -16.355
   41   1HG1  VAL   5           HMG      VAL   5 -26.126  -6.239 -16.149
   42   2HG1  VAL   5           HMG      VAL   5 -27.136  -6.397 -17.606
   43   3HG1  VAL   5           HMG      VAL   5 -27.694  -7.075 -16.058
   44   1HG2  VAL   5           HMG      VAL   5 -25.946  -7.951 -19.138
   45   2HG2  VAL   5           HMG      VAL   5 -26.076  -9.645 -18.607
   46   3HG2  VAL   5           HMG      VAL   5 -27.517  -8.602 -18.611
   47    H    GLY   6           HN       GLY   6 -23.113  -6.446 -15.667
   48   1HA   GLY   6           HAR      GLY   6 -23.896  -5.836 -13.281
   49   2HA   GLY   6           HAS      GLY   6 -23.408  -7.509 -12.898
   50    H    GLY   7           HN       GLY   7 -22.348  -4.284 -13.711
   51   1HA   GLY   7           HAS      GLY   7 -19.505  -5.023 -13.470
   52   2HA   GLY   7           HAR      GLY   7 -20.168  -3.441 -13.959
   53    H    SER   8           HN       SER   8 -18.539  -5.025 -11.579
   54    HA   SER   8           HA       SER   8 -19.483  -3.212  -9.423
   55   1HB   SER   8           HBS      SER   8 -17.356  -5.321  -9.115
   56   2HB   SER   8           HBR      SER   8 -18.365  -4.534  -7.866
   57    HG   SER   8           HG       SER   8 -20.241  -5.460  -9.092
   58    H    ASP   9           HN       ASP   9 -16.982  -3.124  -8.090
   59    HA   ASP   9           HA       ASP   9 -15.543  -1.215  -9.833
   60   1HB   ASP   9           HBR      ASP   9 -15.435  -1.637  -6.850
   61   2HB   ASP   9           HBS      ASP   9 -14.287  -0.617  -7.766
   62    H    GLY  10           HN       GLY  10 -14.187  -2.165 -11.112
   63   1HA   GLY  10           HAR      GLY  10 -13.097  -4.809 -10.292
   64   2HA   GLY  10           HAS      GLY  10 -13.474  -4.297 -11.956
   65    H    CYS  11           HN       CYS  11 -11.272  -5.203 -12.247
   66    HA   CYS  11           HA       CYS  11  -9.066  -3.573 -11.116
   67   1HB   CYS  11           HBS      CYS  11  -9.929  -5.705  -9.956
   68   2HB   CYS  11           HBR      CYS  11  -9.209  -6.578 -11.337
   69    HA   PRO  12           HA       PRO  12  -7.575  -3.756 -15.320
   70   1HB   PRO  12           HBR      PRO  12  -5.579  -2.025 -14.434
   71   2HB   PRO  12           HBS      PRO  12  -6.724  -1.747 -15.577
   72   1HG   PRO  12           HGS      PRO  12  -6.669  -0.620 -13.177
   73   2HG   PRO  12           HGR      PRO  12  -7.999  -0.650 -14.185
   74   1HD   PRO  12           HDS      PRO  12  -7.537  -2.149 -11.854
   75   2HD   PRO  12           HDR      PRO  12  -8.973  -1.856 -12.620
   76    NH1  ARG  13           NH1      ARG  13  -0.621  -3.295 -13.612
   77    NH2  ARG  13           NH2      ARG  13  -2.280  -2.717 -15.093
   78    H    ARG  13           HN       ARG  13  -6.326  -4.756 -12.431
   79    HA   ARG  13           HA       ARG  13  -3.685  -5.435 -13.464
   80   1HB   ARG  13           HBS      ARG  13  -4.969  -6.047 -10.781
   81   2HB   ARG  13           HBR      ARG  13  -3.259  -6.314 -11.224
   82   1HG   ARG  13           HGS      ARG  13  -4.629  -3.606 -11.176
   83   2HG   ARG  13           HGR      ARG  13  -3.639  -4.272  -9.847
   84   1HD   ARG  13           HDS      ARG  13  -2.122  -2.978 -10.970
   85   2HD   ARG  13           HDR      ARG  13  -1.852  -4.587 -11.699
   86    HE   ARG  13           HE       ARG  13  -3.767  -2.902 -13.116
   87   1HH1  ARG  13           HH1      ARG  13  -0.329  -3.558 -12.692
   88   2HH1  ARG  13           HH1      ARG  13   0.057  -3.182 -14.338
   89   1HH2  ARG  13           HH2      ARG  13  -3.245  -2.545 -15.293
   90   2HH2  ARG  13           HH2      ARG  13  -1.592  -2.607 -15.810
   91    H    CYS  14           HN       CYS  14  -6.202  -7.376 -11.789
   92    HA   CYS  14           HA       CYS  14  -4.935  -9.772 -12.881
   93   1HB   CYS  14           HBS      CYS  14  -6.382 -11.018 -11.387
   94   2HB   CYS  14           HBR      CYS  14  -5.454  -9.749 -10.545
   95    H    GLY  15           HN       GLY  15  -7.708  -7.803 -13.512
   96   1HA   GLY  15           HAR      GLY  15  -9.023  -7.860 -15.417
   97   2HA   GLY  15           HAS      GLY  15  -8.384  -9.485 -15.788
   98    H    GLN  16           HN       GLN  16  -9.549  -9.015 -12.580
   99    HA   GLN  16           HA       GLN  16 -12.163 -10.263 -13.232
  100   1HB   GLN  16           HBR      GLN  16 -10.452 -10.316 -10.831
  101   2HB   GLN  16           HBS      GLN  16 -12.190 -10.031 -10.527
  102   1HG   GLN  16           HGS      GLN  16 -12.736 -12.061 -11.798
  103   2HG   GLN  16           HGR      GLN  16 -10.995 -12.347 -12.078
  104   1HE2  GLN  16           HE2      GLN  16 -10.405 -12.932  -8.499
  105   2HE2  GLN  16           HE2      GLN  16  -9.796 -11.919  -9.764
  106    H    ALA  17           HN       ALA  17 -13.705  -9.284 -11.241
  107    HA   ALA  17           HA       ALA  17 -13.213  -6.586 -10.540
  108   1HB   ALA  17           HMB      ALA  17 -13.952  -6.215 -12.903
  109   2HB   ALA  17           HMB      ALA  17 -15.530  -6.920 -12.469
  110   3HB   ALA  17           HMB      ALA  17 -14.975  -5.424 -11.676
  111    H    VAL  18           HN       VAL  18 -14.593  -5.858  -8.948
  112    HA   VAL  18           HA       VAL  18 -16.214  -8.016  -7.715
  113    HB   VAL  18           HB       VAL  18 -13.678  -6.792  -6.592
  114   1HG1  VAL  18           HMG      VAL  18 -15.841  -8.340  -5.330
  115   2HG1  VAL  18           HMG      VAL  18 -14.199  -8.959  -5.035
  116   3HG1  VAL  18           HMG      VAL  18 -14.605  -7.277  -4.617
  117   1HG2  VAL  18           HMG      VAL  18 -13.311  -8.409  -8.430
  118   2HG2  VAL  18           HMG      VAL  18 -12.665  -8.951  -6.863
  119   3HG2  VAL  18           HMG      VAL  18 -14.183  -9.640  -7.484
  120    OH   TYR  19           OH       TYR  19 -22.711  -1.973  -2.555
  121    H    TYR  19           HN       TYR  19 -17.708  -7.407  -6.283
  122    HA   TYR  19           HA       TYR  19 -17.816  -4.517  -5.553
  123   1HB   TYR  19           HBR      TYR  19 -19.764  -5.172  -6.882
  124   2HB   TYR  19           HBS      TYR  19 -20.107  -6.510  -5.749
  125    HD1  TYR  19           HD2      TYR  19 -19.485  -2.812  -5.562
  126    HD2  TYR  19           HD1      TYR  19 -21.830  -6.099  -4.227
  127    HE1  TYR  19           HE2      TYR  19 -20.791  -1.293  -4.145
  128    HE2  TYR  19           HE1      TYR  19 -23.165  -4.585  -2.825
  129    HH   TYR  19           HH       TYR  19 -23.686  -2.440  -2.438
  130    H    ALA  20           HN       ALA  20 -17.428  -7.769  -4.543
  131    HA   ALA  20           HA       ALA  20 -18.111  -7.079  -1.725
  132   1HB   ALA  20           HMB      ALA  20 -18.410  -9.629  -3.322
  133   2HB   ALA  20           HMB      ALA  20 -18.553  -9.554  -1.548
  134   3HB   ALA  20           HMB      ALA  20 -19.683  -8.633  -2.573
  135    H    ALA  21           HN       ALA  21 -16.105  -9.328  -3.674
  136    HA   ALA  21           HA       ALA  21 -14.825 -10.438  -1.505
  137   1HB   ALA  21           HMB      ALA  21 -14.787 -10.766  -4.263
  138   2HB   ALA  21           HMB      ALA  21 -13.091 -10.415  -3.842
  139   3HB   ALA  21           HMB      ALA  21 -13.944 -11.762  -3.049
  140    H    GLU  22           HN       GLU  22 -12.950  -8.468  -3.835
  141    HA   GLU  22           HA       GLU  22 -11.172  -7.790  -1.553
  142   1HB   GLU  22           HBS      GLU  22 -10.598  -7.818  -4.468
  143   2HB   GLU  22           HBR      GLU  22  -9.450  -7.853  -3.273
  144   1HG   GLU  22           HGR      GLU  22 -11.097 -10.030  -4.523
  145   2HG   GLU  22           HGS      GLU  22  -9.448 -10.099  -3.844
  146    H    LYS  23           HN       LYS  23 -13.545  -6.240  -2.996
  147    HA   LYS  23           HA       LYS  23 -12.447  -4.362  -4.740
  148   1HB   LYS  23           HBR      LYS  23 -14.892  -4.952  -4.436
  149   2HB   LYS  23           HBS      LYS  23 -14.897  -3.849  -3.031
  150   1HG   LYS  23           HGR      LYS  23 -13.735  -2.428  -5.209
  151   2HG   LYS  23           HGS      LYS  23 -15.206  -3.234  -5.827
  152   1HD   LYS  23           HDS      LYS  23 -15.817  -1.073  -5.074
  153   2HD   LYS  23           HDR      LYS  23 -16.515  -2.285  -4.036
  154   1HE   LYS  23           HES      LYS  23 -15.106  -1.812  -2.250
  155   2HE   LYS  23           HER      LYS  23 -13.931  -0.975  -3.303
  156   1HZ   LYS  23           HZA      LYS  23 -16.445   0.255  -3.442
  157   2HZ   LYS  23           HZB      LYS  23 -15.973   0.156  -1.882
  158   3HZ   LYS  23           HZC      LYS  23 -15.013   0.891  -2.980
  159    H    VAL  24           HN       VAL  24 -11.143  -2.727  -4.453
  160    HA   VAL  24           HA       VAL  24 -11.558  -1.011  -2.071
  161    HB   VAL  24           HB       VAL  24  -9.121  -0.340  -2.359
  162   1HG1  VAL  24           HMG      VAL  24  -9.966  -2.994  -1.208
  163   2HG1  VAL  24           HMG      VAL  24  -8.303  -2.381  -1.049
  164   3HG1  VAL  24           HMG      VAL  24  -9.663  -1.451  -0.375
  165   1HG2  VAL  24           HMG      VAL  24  -8.997  -1.701  -4.576
  166   2HG2  VAL  24           HMG      VAL  24  -7.596  -1.648  -3.480
  167   3HG2  VAL  24           HMG      VAL  24  -8.661  -3.075  -3.496
  168    H    ILE  25           HN       ILE  25 -10.816   1.250  -2.506
  169    HA   ILE  25           HA       ILE  25 -10.582   1.992  -5.329
  170    HB   ILE  25           HB       ILE  25 -12.776   3.149  -3.539
  171   1HG1  ILE  25           HG1      ILE  25 -12.875   1.497  -6.092
  172   2HG1  ILE  25           HG1      ILE  25 -13.359   0.983  -4.451
  173   1HG2  ILE  25           HMG      ILE  25 -11.399   4.655  -5.263
  174   2HG2  ILE  25           HMG      ILE  25 -12.579   3.940  -6.394
  175   3HG2  ILE  25           HMG      ILE  25 -13.147   4.856  -4.974
  176   1HD1  ILE  25           HMD      ILE  25 -15.107   2.825  -4.537
  177   2HD1  ILE  25           HMD      ILE  25 -14.727   2.970  -6.274
  178   3HD1  ILE  25           HMD      ILE  25 -15.362   1.434  -5.625
  179    H    GLY  26           HN       GLY  26  -9.325   3.739  -5.638
  180   1HA   GLY  26           HAR      GLY  26  -8.392   5.440  -3.440
  181   2HA   GLY  26           HAS      GLY  26  -7.249   4.168  -3.947
  182    H    ALA  27           HN       ALA  27  -8.069   7.318  -4.379
  183    HA   ALA  27           HA       ALA  27  -7.304   8.945  -5.794
  184   1HB   ALA  27           HMB      ALA  27  -5.433   6.696  -6.593
  185   2HB   ALA  27           HMB      ALA  27  -5.212   8.423  -6.973
  186   3HB   ALA  27           HMB      ALA  27  -5.190   7.873  -5.278
  187    H    GLY  28           HN       GLY  28  -9.394   6.933  -6.701
  188   1HA   GLY  28           HAR      GLY  28 -10.712   7.180  -8.685
  189   2HA   GLY  28           HAS      GLY  28  -9.223   7.489  -9.617
  190    H    LYS  29           HN       LYS  29  -7.935   5.215  -8.013
  191    HA   LYS  29           HA       LYS  29  -8.403   3.258 -10.103
  192   1HB   LYS  29           HBS      LYS  29  -6.425   3.707  -7.949
  193   2HB   LYS  29           HBR      LYS  29  -6.774   1.995  -8.323
  194   1HG   LYS  29           HGR      LYS  29  -6.455   3.340 -10.810
  195   2HG   LYS  29           HGS      LYS  29  -5.118   3.873  -9.752
  196   1HD   LYS  29           HDS      LYS  29  -4.068   1.948  -9.906
  197   2HD   LYS  29           HDR      LYS  29  -5.502   1.058  -9.474
  198   1HE   LYS  29           HES      LYS  29  -5.330   0.190 -11.521
  199   2HE   LYS  29           HER      LYS  29  -6.127   1.712 -12.010
  200   1HZ   LYS  29           HZC      LYS  29  -3.313   1.959 -11.775
  201   2HZ   LYS  29           HZA      LYS  29  -3.735   0.832 -12.879
  202   3HZ   LYS  29           HZB      LYS  29  -4.293   2.361 -13.017
  203    H    SER  30           HN       SER  30  -9.505   1.427 -10.022
  204    HA   SER  30           HA       SER  30 -10.624   0.536  -7.412
  205   1HB   SER  30           HBS      SER  30 -11.490  -0.198 -10.221
  206   2HB   SER  30           HBR      SER  30 -12.191  -0.828  -8.701
  207    HG   SER  30           HG       SER  30 -13.402   0.856  -9.751
  208    CH2  TRP  31           CH2      TRP  31  -3.313   1.817  -6.420
  209    H    TRP  31           HN       TRP  31  -9.704  -1.105  -6.472
  210    HA   TRP  31           HA       TRP  31  -7.952  -2.883  -8.086
  211   1HB   TRP  31           HBS      TRP  31  -7.039  -2.418  -5.341
  212   2HB   TRP  31           HBR      TRP  31  -6.129  -2.539  -6.871
  213    HD1  TRP  31           HD1      TRP  31  -8.640   0.237  -5.760
  214    HE1  TRP  31           HE1      TRP  31  -7.397   2.486  -5.746
  215    HE3  TRP  31           HE3      TRP  31  -3.963  -1.493  -6.759
  216    HZ2  TRP  31           HZ2      TRP  31  -4.748   3.367  -6.020
  217    HZ3  TRP  31           HZ3      TRP  31  -2.094   0.093  -6.705
  218    HH2  TRP  31           HH2      TRP  31  -2.480   2.489  -6.451
  219    H    HIS  32           HN       ZHI  32  -7.324  -4.852  -6.796
  220    HA   HIS  32           HA       ZHI  32  -9.397  -5.621  -4.800
  221   1HB   HIS  32           HBS      ZHI  32  -7.410  -7.423  -6.258
  222   2HB   HIS  32           HBR      ZHI  32  -8.537  -7.939  -4.970
  223    HD2  HIS  32           HD2      ZHI  32 -11.346  -7.017  -5.866
  224    HE1  HIS  32           HE1      ZHI  32 -10.468  -8.072  -9.830
  225    HE2  HIS  32           HE2      ZHI  32 -12.195  -7.003  -8.327
  226    H    LYS  33           HN       LYS  33  -8.748  -6.272  -2.774
  227    HA   LYS  33           HA       LYS  33  -6.571  -5.086  -1.578
  228   1HB   LYS  33           HBS      LYS  33  -6.897  -6.569   0.317
  229   2HB   LYS  33           HBR      LYS  33  -8.464  -6.005  -0.329
  230   1HG   LYS  33           HGR      LYS  33  -9.097  -8.100  -1.014
  231   2HG   LYS  33           HGS      LYS  33  -7.417  -8.626  -1.325
  232   1HD   LYS  33           HDS      LYS  33  -7.289  -9.627   0.618
  233   2HD   LYS  33           HDR      LYS  33  -7.648  -8.133   1.440
  234   1HE   LYS  33           HES      LYS  33  -9.527  -9.031   2.161
  235   2HE   LYS  33           HER      LYS  33 -10.110  -8.976   0.474
  236   1HZ   LYS  33           HZC      LYS  33  -8.579 -11.209   1.614
  237   2HZ   LYS  33           HZA      LYS  33 -10.208 -11.181   1.497
  238   3HZ   LYS  33           HZB      LYS  33  -9.291 -11.156   0.145
  239    H    SER  34           HN       SER  34  -6.749  -8.230  -3.164
  240    HA   SER  34           HA       SER  34  -4.080  -8.987  -2.398
  241   1HB   SER  34           HBR      SER  34  -6.063 -10.508  -3.008
  242   2HB   SER  34           HBS      SER  34  -5.604 -10.180  -4.703
  243    HG   SER  34           HG       SER  34  -4.249 -11.678  -4.575
  244    H    CYS  35           HN       CYS  35  -5.465  -7.097  -4.944
  245    HA   CYS  35           HA       CYS  35  -2.872  -7.039  -6.392
  246   1HB   CYS  35           HBS      CYS  35  -5.534  -5.803  -7.141
  247   2HB   CYS  35           HBR      CYS  35  -4.029  -5.776  -8.104
  248    H    PHE  36           HN       PHE  36  -3.467  -5.978  -3.667
  249    HA   PHE  36           HA       PHE  36  -3.222  -3.059  -4.163
  250   1HB   PHE  36           HBR      PHE  36  -5.148  -4.125  -2.688
  251   2HB   PHE  36           HBS      PHE  36  -3.868  -4.188  -1.443
  252    HD1  PHE  36           HD2      PHE  36  -2.382  -1.627  -2.019
  253    HD2  PHE  36           HD1      PHE  36  -6.552  -2.491  -2.129
  254    HE1  PHE  36           HE2      PHE  36  -2.874   0.670  -1.228
  255    HE2  PHE  36           HE1      PHE  36  -7.070  -0.171  -1.523
  256    HZ   PHE  36           HZ       PHE  36  -5.234   1.424  -1.112
  257    NH1  ARG  37           NH1      ARG  37   3.412  -0.238  -7.278
  258    NH2  ARG  37           NH2      ARG  37   2.067  -0.330  -9.136
  259    H    ARG  37           HN       ARG  37  -1.039  -2.925  -4.477
  260    HA   ARG  37           HA       ARG  37   0.721  -4.113  -2.402
  261   1HB   ARG  37           HBS      ARG  37   2.476  -3.871  -4.213
  262   2HB   ARG  37           HBR      ARG  37   1.192  -5.083  -4.489
  263   1HG   ARG  37           HGS      ARG  37   0.814  -4.171  -6.480
  264   2HG   ARG  37           HGR      ARG  37   0.290  -2.671  -5.664
  265   1HD   ARG  37           HDS      ARG  37   2.593  -1.883  -5.632
  266   2HD   ARG  37           HDR      ARG  37   3.119  -3.385  -6.444
  267    HE   ARG  37           HE       ARG  37   1.450  -2.573  -8.276
  268   1HH1  ARG  37           HH1      ARG  37   3.747  -0.640  -6.425
  269   2HH1  ARG  37           HH1      ARG  37   3.756   0.651  -7.579
  270   1HH2  ARG  37           HH2      ARG  37   1.391  -0.809  -9.698
  271   2HH2  ARG  37           HH2      ARG  37   2.424   0.556  -9.432
  272    H    CYS  38           HN       CYS  38   1.882  -2.867  -1.140
  273    HA   CYS  38           HA       CYS  38   2.098  -0.013  -1.369
  274   1HB   CYS  38           HBS      CYS  38   2.377  -1.432   0.712
  275   2HB   CYS  38           HBR      CYS  38   4.001  -1.845   0.090
  276    H    ALA  39           HN       ALA  39   2.913   0.820  -3.157
  277    HA   ALA  39           HA       ALA  39   5.510  -0.080  -4.181
  278   1HB   ALA  39           HMB      ALA  39   3.391   0.949  -5.426
  279   2HB   ALA  39           HMB      ALA  39   4.254   2.467  -5.070
  280   3HB   ALA  39           HMB      ALA  39   5.060   1.182  -6.005
  281    H    LYS  40           HN       LYS  40   4.956   1.194  -1.415
  282    HA   LYS  40           HA       LYS  40   7.085   3.262  -1.512
  283   1HB   LYS  40           HBR      LYS  40   4.860   2.983   0.135
  284   2HB   LYS  40           HBS      LYS  40   6.215   2.382   1.133
  285   1HG   LYS  40           HGR      LYS  40   6.165   5.074  -0.287
  286   2HG   LYS  40           HGS      LYS  40   5.755   4.819   1.434
  287   1HD   LYS  40           HDS      LYS  40   8.423   4.212   0.154
  288   2HD   LYS  40           HDR      LYS  40   8.030   5.654   1.048
  289   1HE   LYS  40           HES      LYS  40   7.307   3.898   2.905
  290   2HE   LYS  40           HER      LYS  40   8.498   2.902   2.020
  291   1HZ   LYS  40           HZB      LYS  40   9.251   5.612   2.698
  292   2HZ   LYS  40           HZC      LYS  40   9.194   4.529   3.920
  293   3HZ   LYS  40           HZA      LYS  40  10.163   4.259   2.633
  294    H    CYS  41           HN       CYS  41   6.411   0.619   0.786
  295    HA   CYS  41           HA       CYS  41   9.258   0.178   1.018
  296   1HB   CYS  41           HBR      CYS  41   8.733  -1.345   2.808
  297   2HB   CYS  41           HBS      CYS  41   7.887   0.213   2.993
  298    H    GLY  42           HN       GLY  42   6.627  -1.358  -0.663
  299   1HA   GLY  42           HAR      GLY  42   7.476  -2.212  -2.830
  300   2HA   GLY  42           HAS      GLY  42   8.676  -3.152  -1.903
  301    H    LYS  43           HN       LYS  43   6.615  -3.669   0.231
  302    HA   LYS  43           HA       LYS  43   5.915  -6.250  -0.901
  303   1HB   LYS  43           HBS      LYS  43   5.188  -6.810   1.363
  304   2HB   LYS  43           HBR      LYS  43   6.834  -6.115   1.344
  305   1HG   LYS  43           HGR      LYS  43   6.238  -4.353   2.627
  306   2HG   LYS  43           HGS      LYS  43   4.680  -4.137   1.779
  307   1HD   LYS  43           HDS      LYS  43   3.823  -4.771   3.735
  308   2HD   LYS  43           HDR      LYS  43   4.067  -6.350   3.040
  309   1HE   LYS  43           HES      LYS  43   5.676  -4.983   5.160
  310   2HE   LYS  43           HER      LYS  43   4.893  -6.588   5.168
  311   1HZ   LYS  43           HZB      LYS  43   6.530  -7.098   3.331
  312   2HZ   LYS  43           HZC      LYS  43   7.355  -5.775   3.819
  313   3HZ   LYS  43           HZA      LYS  43   7.117  -7.018   4.852
  314    H    SER  44           HN       SER  44   3.870  -7.199  -0.915
  315    HA   SER  44           HA       SER  44   1.690  -5.235  -1.383
  316   1HB   SER  44           HBR      SER  44   1.762  -8.149  -2.208
  317   2HB   SER  44           HBS      SER  44   0.560  -6.904  -2.652
  318    HG   SER  44           HG       SER  44   2.123  -7.465  -4.294
  319    H    LEU  45           HN       LEU  45  -0.185  -5.360  -0.282
  320    HA   LEU  45           HA       LEU  45  -0.571  -7.471   1.721
  321   1HB   LEU  45           HBS      LEU  45  -1.194  -5.232   3.229
  322   2HB   LEU  45           HBR      LEU  45   0.182  -6.285   3.435
  323    HG   LEU  45           HG       LEU  45   1.210  -4.449   1.682
  324   1HD1  LEU  45           HMD      LEU  45  -1.305  -3.699   1.733
  325   2HD1  LEU  45           HMD      LEU  45  -0.802  -2.849   3.219
  326   3HD1  LEU  45           HMD      LEU  45  -0.020  -2.467   1.661
  327   1HD2  LEU  45           HMD      LEU  45   1.367  -4.940   4.416
  328   2HD2  LEU  45           HMD      LEU  45   2.347  -3.751   3.524
  329   3HD2  LEU  45           HMD      LEU  45   0.846  -3.240   4.337
  330    H    GLU  46           HN       GLU  46  -2.556  -6.296   3.140
  331    HA   GLU  46           HA       GLU  46  -4.742  -5.402   1.499
  332   1HB   GLU  46           HBR      GLU  46  -5.908  -7.618   1.483
  333   2HB   GLU  46           HBS      GLU  46  -4.692  -7.324   0.366
  334   1HG   GLU  46           HGS      GLU  46  -3.353  -8.463   2.561
  335   2HG   GLU  46           HGR      GLU  46  -4.747  -9.531   2.246
  336    H    SER  47           HN       SER  47  -4.251  -7.914   4.024
  337    HA   SER  47           HA       SER  47  -6.755  -7.337   5.241
  338   1HB   SER  47           HBR      SER  47  -6.118  -8.895   6.959
  339   2HB   SER  47           HBS      SER  47  -5.633  -9.525   5.358
  340    HG   SER  47           HG       SER  47  -3.985  -8.064   7.258
  341    H    THR  48           HN       THR  48  -3.608  -5.951   5.574
  342    HA   THR  48           HA       THR  48  -4.488  -4.380   7.935
  343    HB   THR  48           HB       THR  48  -2.136  -5.392   7.922
  344    HG1  THR  48           HG1      THR  48  -1.692  -4.028   9.027
  345   1HG2  THR  48           HMG      THR  48  -1.923  -3.776   5.474
  346   2HG2  THR  48           HMG      THR  48  -0.601  -3.528   6.643
  347   3HG2  THR  48           HMG      THR  48  -0.954  -5.164   6.032
  348    H    THR  49           HN       THR  49  -4.289  -2.074   7.843
  349    HA   THR  49           HA       THR  49  -5.934  -1.138   5.803
  350    HB   THR  49           HB       THR  49  -4.237   0.850   7.345
  351    HG1  THR  49           HG1      THR  49  -5.025   0.432   9.014
  352   1HG2  THR  49           HMG      THR  49  -6.722   0.925   5.966
  353   2HG2  THR  49           HMG      THR  49  -7.049   1.191   7.698
  354   3HG2  THR  49           HMG      THR  49  -5.891   2.238   6.840
  355    H    LEU  50           HN       LEU  50  -5.317   1.122   4.729
  356    HA   LEU  50           HA       LEU  50  -2.606   1.030   3.523
  357   1HB   LEU  50           HBR      LEU  50  -3.792   1.342   1.303
  358   2HB   LEU  50           HBS      LEU  50  -3.849  -0.280   2.049
  359    HG   LEU  50           HG       LEU  50  -6.182   0.847   2.942
  360   1HD1  LEU  50           HMD      LEU  50  -5.314   2.405   0.699
  361   2HD1  LEU  50           HMD      LEU  50  -6.722   1.429   0.210
  362   3HD1  LEU  50           HMD      LEU  50  -6.835   2.514   1.618
  363   1HD2  LEU  50           HMD      LEU  50  -5.331  -0.967   0.719
  364   2HD2  LEU  50           HMD      LEU  50  -6.278  -1.317   2.188
  365   3HD2  LEU  50           HMD      LEU  50  -7.045  -0.486   0.810
  366    H    ALA  51           HN       ALA  51  -2.702   2.972   1.759
  367    HA   ALA  51           HA       ALA  51  -3.764   5.419   3.017
  368   1HB   ALA  51           HMB      ALA  51  -1.721   4.760   4.284
  369   2HB   ALA  51           HMB      ALA  51  -0.790   4.902   2.771
  370   3HB   ALA  51           HMB      ALA  51  -1.599   6.334   3.458
  371    H    ASP  52           HN       ASP  52  -4.824   5.535   0.980
  372    HA   ASP  52           HA       ASP  52  -3.292   5.683  -1.487
  373   1HB   ASP  52           HBS      ASP  52  -5.401   6.401  -2.510
  374   2HB   ASP  52           HBR      ASP  52  -5.501   4.840  -1.646
  375    H    LYS  53           HN       LYS  53  -1.724   7.163  -1.171
  376    HA   LYS  53           HA       LYS  53  -2.364   9.958  -0.558
  377   1HB   LYS  53           HBS      LYS  53  -0.072   8.558  -0.327
  378   2HB   LYS  53           HBR      LYS  53   0.158   9.242  -1.962
  379   1HG   LYS  53           HGR      LYS  53  -0.793  11.319  -0.215
  380   2HG   LYS  53           HGS      LYS  53   0.584  10.493   0.568
  381   1HD   LYS  53           HDS      LYS  53   2.074  11.078  -1.054
  382   2HD   LYS  53           HDR      LYS  53   0.855  11.185  -2.293
  383   1HE   LYS  53           HES      LYS  53   0.650  13.365  -2.038
  384   2HE   LYS  53           HER      LYS  53   0.325  13.160  -0.294
  385   1HZ   LYS  53           HZC      LYS  53   3.021  13.153  -1.459
  386   2HZ   LYS  53           HZA      LYS  53   2.313  14.483  -0.828
  387   3HZ   LYS  53           HZB      LYS  53   2.628  13.194   0.125
  388    H    ASP  54           HN       ASP  54  -1.585  11.605  -2.193
  389    HA   ASP  54           HA       ASP  54  -3.432  11.467  -4.279
  390   1HB   ASP  54           HBR      ASP  54  -2.485  13.506  -3.105
  391   2HB   ASP  54           HBS      ASP  54  -1.138  13.408  -4.276
  392    H    GLY  55           HN       GLY  55  -3.179   9.668  -5.495
  393   1HA   GLY  55           HAR      GLY  55  -2.712   9.357  -7.859
  394   2HA   GLY  55           HAS      GLY  55  -1.045   9.917  -7.565
  395    H    GLU  56           HN       GLU  56  -1.202   8.313  -4.931
  396    HA   GLU  56           HA       GLU  56  -0.881   5.543  -5.928
  397   1HB   GLU  56           HBS      GLU  56   1.278   7.277  -4.801
  398   2HB   GLU  56           HBR      GLU  56   1.480   5.635  -5.085
  399   1HG   GLU  56           HGS      GLU  56   0.997   6.101  -7.549
  400   2HG   GLU  56           HGR      GLU  56   0.989   7.848  -7.184
  401    H    ILE  57           HN       ILE  57   0.565   4.522  -3.890
  402    HA   ILE  57           HA       ILE  57  -1.116   4.956  -1.486
  403    HB   ILE  57           HB       ILE  57  -1.946   2.638  -1.610
  404   1HG1  ILE  57           HG1      ILE  57  -0.652   2.478  -4.359
  405   2HG1  ILE  57           HG1      ILE  57   0.043   1.776  -2.870
  406   1HG2  ILE  57           HMG      ILE  57  -2.517   4.318  -4.052
  407   2HG2  ILE  57           HMG      ILE  57  -3.417   2.833  -3.647
  408   3HG2  ILE  57           HMG      ILE  57  -3.442   4.223  -2.529
  409   1HD1  ILE  57           HMD      ILE  57  -2.750   1.011  -3.581
  410   2HD1  ILE  57           HMD      ILE  57  -1.426   0.352  -4.579
  411   3HD1  ILE  57           HMD      ILE  57  -1.450   0.056  -2.819
  412    OH   TYR  58           OH       TYR  58   4.149   8.255  -1.820
  413    H    TYR  58           HN       TYR  58  -0.287   4.151   0.372
  414    HA   TYR  58           HA       TYR  58   1.868   2.188   0.186
  415   1HB   TYR  58           HBR      TYR  58   2.239   4.237   2.346
  416   2HB   TYR  58           HBS      TYR  58   3.432   3.188   1.536
  417    HD1  TYR  58           HD1      TYR  58   3.668   3.796  -1.123
  418    HD2  TYR  58           HD2      TYR  58   2.385   6.488   1.910
  419    HE1  TYR  58           HE1      TYR  58   4.436   5.691  -2.486
  420    HE2  TYR  58           HE2      TYR  58   3.120   8.390   0.545
  421    HH   TYR  58           HH       TYR  58   3.726   8.022  -2.796
  422    H    CYS  59           HN       CYS  59   2.313   1.614   2.741
  423    HA   CYS  59           HA       CYS  59  -0.340   0.413   3.113
  424   1HB   CYS  59           HBS      CYS  59   0.687  -1.602   3.612
  425   2HB   CYS  59           HBR      CYS  59   1.499  -0.904   2.191
  426    H    LYS  60           HN       LYS  60  -0.777  -0.693   5.212
  427    HA   LYS  60           HA       LYS  60  -0.513   1.251   7.428
  428   1HB   LYS  60           HBS      LYS  60  -2.669  -0.001   6.995
  429   2HB   LYS  60           HBR      LYS  60  -1.804  -1.494   7.460
  430   1HG   LYS  60           HGR      LYS  60  -1.791   0.864   9.331
  431   2HG   LYS  60           HGS      LYS  60  -3.251  -0.159   9.218
  432   1HD   LYS  60           HDS      LYS  60  -2.271  -1.959  10.158
  433   2HD   LYS  60           HDR      LYS  60  -0.702  -1.593   9.495
  434   1HE   LYS  60           HES      LYS  60  -0.462   0.261  11.137
  435   2HE   LYS  60           HER      LYS  60  -1.996  -0.286  11.870
  436   1HZ   LYS  60           HZA      LYS  60  -0.390  -2.494  11.625
  437   2HZ   LYS  60           HZB      LYS  60   0.576  -1.321  12.223
  438   3HZ   LYS  60           HZC      LYS  60  -0.804  -1.718  13.001
  439    H    GLY  61           HN       GLY  61   0.961  -1.542   6.061
  440   1HA   GLY  61           HAR      GLY  61   2.588  -2.397   8.244
  441   2HA   GLY  61           HAS      GLY  61   2.996  -2.503   6.511
  442    H    CYS  62           HN       CYS  62   2.377   0.597   6.598
  443    HA   CYS  62           HA       CYS  62   5.213   1.231   7.073
  444   1HB   CYS  62           HBS      CYS  62   3.193   1.781   5.007
  445   2HB   CYS  62           HBR      CYS  62   4.154   3.212   5.474
  446    OH   TYR  63           OH       TYR  63  -1.511   6.842  13.469
  447    H    TYR  63           HN       TYR  63   1.971   2.694   7.336
  448    HA   TYR  63           HA       TYR  63   2.651   4.769   9.181
  449   1HB   TYR  63           HBS      TYR  63   0.488   4.713   8.071
  450   2HB   TYR  63           HBR      TYR  63   0.094   3.154   8.850
  451    HD1  TYR  63           HD2      TYR  63   1.398   6.454  10.073
  452    HD2  TYR  63           HD1      TYR  63  -1.499   3.375  10.540
  453    HE1  TYR  63           HE2      TYR  63   0.511   7.601  12.053
  454    HE2  TYR  63           HE1      TYR  63  -2.395   4.512  12.526
  455    HH   TYR  63           HH       TYR  63  -2.542   6.499  13.535
  456    H    ALA  64           HN       ALA  64   2.587   1.332   9.405
  457    HA   ALA  64           HA       ALA  64   2.764   1.359  12.328
  458   1HB   ALA  64           HMB      ALA  64   1.675  -0.462  10.989
  459   2HB   ALA  64           HMB      ALA  64   3.298  -0.926  10.418
  460   3HB   ALA  64           HMB      ALA  64   2.908  -1.005  12.155
  461    H    LYS  65           HN       LYS  65   4.904   0.584   9.563
  462    HA   LYS  65           HA       LYS  65   7.076  -0.279  11.069
  463   1HB   LYS  65           HBS      LYS  65   6.842  -0.642   8.649
  464   2HB   LYS  65           HBR      LYS  65   7.156   1.094   8.361
  465   1HG   LYS  65           HGR      LYS  65   9.398   0.879   8.685
  466   2HG   LYS  65           HGS      LYS  65   9.205  -0.358   9.960
  467   1HD   LYS  65           HDS      LYS  65   8.976  -0.802   6.981
  468   2HD   LYS  65           HDR      LYS  65  10.336  -1.211   7.991
  469   1HE   LYS  65           HES      LYS  65   9.375  -3.051   8.849
  470   2HE   LYS  65           HER      LYS  65   7.755  -2.301   8.883
  471   1HZ   LYS  65           HZB      LYS  65   9.096  -3.240   6.443
  472   2HZ   LYS  65           HZC      LYS  65   7.975  -4.096   7.267
  473   3HZ   LYS  65           HZA      LYS  65   7.567  -2.680   6.562
  474    H    ASN  66           HN       ASN  66   5.918   2.920  10.580
  475    HA   ASN  66           HA       ASN  66   8.245   4.394  10.859
  476   1HB   ASN  66           HBR      ASN  66   6.940   6.262  11.361
  477   2HB   ASN  66           HBS      ASN  66   5.978   5.238  10.255
  478   1HD2  ASN  66           HD2      ASN  66   4.001   6.595  13.240
  479   2HD2  ASN  66           HD2      ASN  66   5.173   7.356  12.217
  480    H    PHE  67           HN       PHE  67   6.753   2.373  13.153
  481    HA   PHE  67           HA       PHE  67   7.433   3.842  15.504
  482   1HB   PHE  67           HBS      PHE  67   5.624   2.003  15.269
  483   2HB   PHE  67           HBR      PHE  67   6.967   0.846  15.494
  484    HD1  PHE  67           HD1      PHE  67   5.762   4.027  16.943
  485    HD2  PHE  67           HD2      PHE  67   7.333   0.151  17.757
  486    HE1  PHE  67           HE1      PHE  67   5.517   4.455  19.346
  487    HE2  PHE  67           HE2      PHE  67   7.100   0.559  20.185
  488    HZ   PHE  67           HZ       PHE  67   6.128   2.700  20.968
  489    H    GLY  68           HN       GLY  68   9.077   1.420  13.574
  490   1HA   GLY  68           HAR      GLY  68  11.245   1.210  15.628
  491   2HA   GLY  68           HAS      GLY  68  10.737  -0.124  14.555
  492    HA   PRO  69           HA       PRO  69  13.588   3.262  12.406
  493   1HB   PRO  69           HBR      PRO  69  15.672   3.131  14.272
  494   2HB   PRO  69           HBS      PRO  69  15.008   4.465  13.583
  495   1HG   PRO  69           HGS      PRO  69  14.676   3.750  16.109
  496   2HG   PRO  69           HGR      PRO  69  13.702   4.833  15.296
  497   1HD   PRO  69           HDS      PRO  69  13.124   2.195  16.046
  498   2HD   PRO  69           HDR      PRO  69  12.072   3.387  15.587
  499    H    LYS  70           HN       LYS  70  14.365   0.439  14.175
  500    HA   LYS  70           HA       LYS  70  16.716  -0.250  12.794
  501   1HB   LYS  70           HBR      LYS  70  15.927  -1.234  14.957
  502   2HB   LYS  70           HBS      LYS  70  14.733  -2.186  14.030
  503   1HG   LYS  70           HGR      LYS  70  16.694  -3.548  14.554
  504   2HG   LYS  70           HGS      LYS  70  16.574  -3.276  12.792
  505   1HD   LYS  70           HDS      LYS  70  18.390  -1.901  12.711
  506   2HD   LYS  70           HDR      LYS  70  18.204  -1.370  14.359
  507   1HE   LYS  70           HES      LYS  70  18.743  -4.040  14.696
  508   2HE   LYS  70           HER      LYS  70  19.740  -3.588  13.284
  509   1HZ   LYS  70           HZB      LYS  70  19.720  -2.106  15.821
  510   2HZ   LYS  70           HZC      LYS  70  20.825  -3.247  15.440
  511   3HZ   LYS  70           HZA      LYS  70  20.727  -1.877  14.556
  512    H    GLY  71           HN       GLY  71  17.161  -1.710  11.167
  513   1HA   GLY  71           HAR      GLY  71  15.478  -3.157   9.473
  514   2HA   GLY  71           HAS      GLY  71  15.339  -1.456   8.955
  515    H    PHE  72           HN       PHE  72  16.737  -0.811   7.485
  516    HA   PHE  72           HA       PHE  72  19.351  -2.196   7.211
  517   1HB   PHE  72           HBR      PHE  72  17.594  -0.823   5.269
  518   2HB   PHE  72           HBS      PHE  72  19.306  -0.314   5.193
  519    HD1  PHE  72           HD2      PHE  72  21.064  -2.025   4.578
  520    HD2  PHE  72           HD1      PHE  72  16.905  -2.942   4.688
  521    HE1  PHE  72           HE2      PHE  72  21.504  -4.140   3.375
  522    HE2  PHE  72           HE1      PHE  72  17.316  -5.048   3.499
  523    HZ   PHE  72           HZ       PHE  72  19.622  -5.679   2.894
  524    H    GLY  73           HN       GLY  73  21.067  -0.507   6.405
  525   1HA   GLY  73           HAS      GLY  73  20.820   2.072   7.850
  526   2HA   GLY  73           HAR      GLY  73  22.269   1.072   8.138
  527    H    PHE  74           HN       PHE  74  21.445   3.712   6.623
  528    HA   PHE  74           HA       PHE  74  22.945   3.192   4.117
  529   1HB   PHE  74           HBS      PHE  74  20.849   4.724   4.151
  530   2HB   PHE  74           HBR      PHE  74  21.908   5.912   4.967
  531    HD1  PHE  74           HD1      PHE  74  21.502   3.818   1.985
  532    HD2  PHE  74           HD2      PHE  74  23.530   7.182   3.637
  533    HE1  PHE  74           HE1      PHE  74  22.290   4.416  -0.259
  534    HE2  PHE  74           HE2      PHE  74  24.341   7.805   1.385
  535    HZ   PHE  74           HZ       PHE  74  23.661   6.444  -0.572
  536    H    GLY  75           HN       GLY  75  25.019   2.965   4.585
  537   1HA   GLY  75           HAR      GLY  75  26.406   5.085   6.149
  538   2HA   GLY  75           HAS      GLY  75  26.519   3.381   6.661
  539    H    GLN  76           HN       GLN  76  26.896   5.427   3.741
  540    HA   GLN  76           HA       GLN  76  29.437   4.019   3.144
  541   1HB   GLN  76           HBR      GLN  76  26.944   3.942   1.584
  542   2HB   GLN  76           HBS      GLN  76  28.401   4.388   0.652
  543   1HG   GLN  76           HGS      GLN  76  29.370   2.344   0.912
  544   2HG   GLN  76           HGR      GLN  76  28.595   2.053   2.495
  545   1HE2  GLN  76           HE2      GLN  76  26.877   0.877  -1.029
  546   2HE2  GLN  76           HE2      GLN  76  28.240   1.944  -0.994
  547    H    GLY  77           HN       GLY  77  28.493   6.735   4.151
  548   1HA   GLY  77           HAS      GLY  77  30.068   8.424   2.297
  549   2HA   GLY  77           HAR      GLY  77  28.337   8.803   2.509
  550    H    ALA  78           HN       ALA  78  29.796  10.801   3.194
  551    HA   ALA  78           HA       ALA  78  28.991  11.271   5.827
  552   1HB   ALA  78           HMB      ALA  78  31.955  10.732   5.546
  553   2HB   ALA  78           HMB      ALA  78  31.239  11.662   6.886
  554   3HB   ALA  78           HMB      ALA  78  30.788   9.955   6.646
  555    H    GLY  79           HN       GLY  79  31.842  12.192   3.848
  556   1HA   GLY  79           HAR      GLY  79  31.457  13.993   2.209
  557   2HA   GLY  79           HAS      GLY  79  30.605  14.890   3.494
  558    H    ALA  80           HN       ALA  80  33.679  13.948   2.160
  559    HA   ALA  80           HA       ALA  80  34.954  16.253   3.454
  560   1HB   ALA  80           HMB      ALA  80  35.793  13.393   3.989
  561   2HB   ALA  80           HMB      ALA  80  36.812  14.820   4.305
  562   3HB   ALA  80           HMB      ALA  80  35.267  14.620   5.169
  563    H    LEU  81           HN       LEU  81  35.580  17.190   1.635
  564    HA   LEU  81           HA       LEU  81  36.927  17.661  -0.146
  565   1HB   LEU  81           HBR      LEU  81  38.499  15.282   0.884
  566   2HB   LEU  81           HBS      LEU  81  39.100  16.623  -0.133
  567    HG   LEU  81           HG       LEU  81  37.955  17.480   2.433
  568   1HD1  LEU  81           HMD      LEU  81  39.068  15.259   2.974
  569   2HD1  LEU  81           HMD      LEU  81  40.598  16.006   2.451
  570   3HD1  LEU  81           HMD      LEU  81  39.701  16.688   3.832
  571   1HD2  LEU  81           HMD      LEU  81  39.949  18.182   0.448
  572   2HD2  LEU  81           HMD      LEU  81  39.168  19.198   1.687
  573   3HD2  LEU  81           HMD      LEU  81  40.628  18.262   2.094
  574    H    ILE  82           HN       ILE  82  35.598  17.307  -1.830
  575    HA   ILE  82           HA       ILE  82  34.775  14.694  -2.636
  576    HB   ILE  82           HB       ILE  82  34.532  17.300  -4.210
  577   1HG1  ILE  82           HG1      ILE  82  33.804  17.807  -2.006
  578   2HG1  ILE  82           HG1      ILE  82  32.339  17.574  -3.002
  579   1HG2  ILE  82           HMG      ILE  82  33.039  14.690  -4.266
  580   2HG2  ILE  82           HMG      ILE  82  32.299  16.205  -4.850
  581   3HG2  ILE  82           HMG      ILE  82  33.794  15.593  -5.606
  582   1HD1  ILE  82           HMD      ILE  82  33.095  15.077  -1.782
  583   2HD1  ILE  82           HMD      ILE  82  32.981  16.354  -0.542
  584   3HD1  ILE  82           HMD      ILE  82  31.590  16.019  -1.606
  585    H    HIS  83           HN       HIS  83  34.930  13.972  -4.942
  586    HA   HIS  83           HA       HIS  83  37.723  14.113  -5.898
  587   1HB   HIS  83           HBR      HIS  83  36.374  11.895  -5.808
  588   2HB   HIS  83           HBS      HIS  83  35.517  12.529  -7.243
  589    HD1  HIS  83           HD1      HIS  83  38.721  10.904  -6.212
  590    HD2  HIS  83           HD2      HIS  83  37.191  12.929  -9.514
  591    HE1  HIS  83           HE1      HIS  83  40.204  10.322  -8.147
  592    HE2  HIS  83           HE2      HIS  83  39.269  11.527 -10.153
  593    H    SER  84           HN       SER  84  38.299  15.545  -7.323
  594    HA   SER  84           HA       SER  84  36.757  15.920  -9.711
  595   1HB   SER  84           HBS      SER  84  36.832  18.478  -9.526
  596   2HB   SER  84           HBR      SER  84  35.518  17.597  -8.692
  597    HG   SER  84           HG       SER  84  36.810  17.594  -6.757
  598    H    GLN  85           HN       GLN  85  39.055  18.106  -8.077
  599    HA   GLN  85           HA       GLN  85  41.128  18.842  -8.667
  600   1HB   GLN  85           HBR      GLN  85  41.459  16.189  -9.000
  601   2HB   GLN  85           HBS      GLN  85  41.696  16.749 -10.679
  602   1HG   GLN  85           HGS      GLN  85  43.238  18.537  -9.405
  603   2HG   GLN  85           HGR      GLN  85  43.357  17.179  -8.251
  604   1HE2  GLN  85           HE2      GLN  85  45.802  15.581 -10.047
  605   2HE2  GLN  85           HE2      GLN  85  45.074  16.003  -8.533
   
   
  No H/Q in entry =         605