*HEADER   TOXIN                                   17-NOV-93   1ABT    
*COMPND   ALPHA-BUNGAROTOXIN COMPLEXED WITH THE 185 - 196 FRAGMENT OF 
*COMPND  2 THE ALPHA-SUBUNIT OF THE TORPEDO NICOTINIC ACETYLCHOLINE   
*COMPND  3 RECEPTOR (NMR, 4 STRUCTURES)                               
*SOURCE   ALPHA-BUNGAROTOXIN: (BUNGARUS MULTICINCTUS); NICOTINIC      
*SOURCE  2 ACETYLCHOLINE RECEPTOR: (TORPEDO CALIFORNICA)              
*AUTHOR   V.J.BASUS,G.SONG,E.HAWROT                                   
*REVDAT  1   31-JAN-94 1ABT    0                                      





The following is the list of restraints used to calculate the structures:

	      Atom 1		   Atom 2	 Upper   Lower   (IN ANGSTROMS)
						 Bound   Bound

CONSTRAINT  41  GLU  HN          26  LYS  HN     5.000   0.000
CONSTRAINT  56  GLU  HN          27  MET  HN     4.500   0.000
CONSTRAINT  23  CYS  HN          60  CYS  HN     4.500   0.000
CONSTRAINT  40  VAL  HA          27  MET  HA     4.500   0.000
CONSTRAINT  26  LYS  HA          57  VAL  HA     3.600   0.000
CONSTRAINT  42  LEU  HA          25  ARG  HA     4.500   0.000
CONSTRAINT  24  TYR  HA          59  CYS  HA     3.600   0.000
CONSTRAINT  44  CYS  HA          23  CYS  HA     4.000   0.000
CONSTRAINT  44  CYS  SG          16  CYS  SG     2.140   1.940
CONSTRAINT  44  CYS  SG          16  CYS  HB1    3.200   2.900
CONSTRAINT  44  CYS  SG          16  CYS  HB2    3.200   2.900
CONSTRAINT  44  CYS  HB1         16  CYS  SG     3.200   2.900
CONSTRAINT  44  CYS  HB2         16  CYS  SG     3.200   2.900
CONSTRAINT  23  CYS  SG           3  CYS  SG     2.140   1.940
CONSTRAINT  23  CYS  SG           3  CYS  HB1    3.200   2.900
CONSTRAINT  23  CYS  SG           3  CYS  HB2    3.200   2.900
CONSTRAINT  23  CYS  HB1          3  CYS  SG     3.200   2.900
CONSTRAINT  23  CYS  HB2          3  CYS  SG     3.200   2.900
CONSTRAINT  60  CYS  SG          65  CYS  SG     2.140   1.940
CONSTRAINT  60  CYS  SG          65  CYS  HB1    3.200   2.900
CONSTRAINT  60  CYS  SG          65  CYS  HB2    3.200   2.900
CONSTRAINT  60  CYS  HB1         65  CYS  SG     3.200   2.900
CONSTRAINT  60  CYS  HB2         65  CYS  SG     3.200   2.900
CONSTRAINT  59  CYS  SG          48  CYS  SG     2.140   1.940
CONSTRAINT  59  CYS  SG          48  CYS  HB1    3.200   2.900
CONSTRAINT  59  CYS  SG          48  CYS  HB2    3.200   2.900
CONSTRAINT  59  CYS  HB1         48  CYS  SG     3.200   2.900
CONSTRAINT  59  CYS  HB2         48  CYS  SG     3.200   2.900
CONSTRAINT  29  CYS  SG          33  CYS  SG     2.140   1.940
CONSTRAINT  29  CYS  SG          33  CYS  HB1    3.200   2.900
CONSTRAINT  29  CYS  SG          33  CYS  HB2    3.200   2.900
CONSTRAINT  29  CYS  HB1         33  CYS  SG     3.200   2.900
CONSTRAINT  29  CYS  HB2         33  CYS  SG     3.200   2.900
CONSTRAINT  28  TRP  HE3         28  TRP  HN     3.600   0.000
CONSTRAINT  28  TRP  HE3         27  MET  HA     3.600   0.000
CONSTRAINT  28  TRP  HD1         28  TRP  HA     4.500   0.000
CONSTRAINT  24  TYR  CG          44  CYS  HN     6.600   0.000
CONSTRAINT  39  VAL  CB          40  VAL  HN     7.100   0.000
CONSTRAINT  39  VAL  HB1         28  TRP  HZ2    5.000   0.000
CONSTRAINT  39  VAL  CG1         28  TRP  HE1    6.100   0.000
CONSTRAINT  39  VAL  CG2         28  TRP  HE1    6.100   0.000
CONSTRAINT  39  VAL  CG1         28  TRP  HZ2    6.100   0.000
CONSTRAINT  39  VAL  CG2         28  TRP  HZ2    6.100   0.000
CONSTRAINT  28  TRP  HZ3         41  GLU  CB     5.600   0.000
CONSTRAINT   3  CYS  HA          64  LYS  HN     5.000   0.000
CONSTRAINT  23  CYS  HA          45  ALA  HN     5.000   0.000
CONSTRAINT  24  TYR  HA          60  CYS  HN     4.500   0.000
CONSTRAINT  57  VAL  HA          27  MET  HN     5.000   0.000
CONSTRAINT   5  THR  HA           7  ALA  HN     5.000   0.000
CONSTRAINT  26  LYS  HA          58  THR  HN     5.000   0.000
CONSTRAINT  59  CYS  HA          25  ARG  HN     5.000   0.000
CONSTRAINT  44  CYS  HA          24  TYR  HN     5.000   0.000
CONSTRAINT  28  TRP  HA          56  GLU  HN     5.000   0.000
CONSTRAINT  15  THR  HA           3  CYS  HN     4.500   0.000
CONSTRAINT   9  SER  HA          11  ILE  HN     4.500   0.000
CONSTRAINT  23  CYS  HA          24  TYR  CG     7.100   0.000
CONSTRAINT  44  CYS  HA          24  TYR  CG     7.100   0.000
CONSTRAINT  25  ARG  HA          24  TYR  CG     7.100   0.000
CONSTRAINT  46  ALA  HA          21  ASN  HN     4.000   0.000
CONSTRAINT  63  ASP  HA           2  VAL  HN     5.000   0.000
CONSTRAINT  63  ASP  HA          65  CYS  HN     5.000   0.000
CONSTRAINT  45  ALA  HA          47  THR  HN     4.500   0.000
CONSTRAINT  33  CYS  HA          37  GLY  HN     4.500   0.000
CONSTRAINT  53  PRO  HA          55  GLU  HN     5.000   0.000
CONSTRAINT  43  GLY  CA          24  TYR  CZ     8.000   0.000
CONSTRAINT  64  LYS  HA          66  ASN  HN     5.000   0.000
CONSTRAINT   4  HIS  CB          25  ARG  HN     5.600   0.000
CONSTRAINT  29  CYS  CB          33  CYS  HN     6.100   0.000
CONSTRAINT   3  CYS  CB          66  ASN  ND2    7.400   0.000
CONSTRAINT  64  LYS  HA           4  HIS  HD2    4.500   0.000
CONSTRAINT   4  HIS  CB          24  TYR  CG     7.100   0.000
CONSTRAINT   2  VAL  CB          64  LYS  HN     7.600   0.000
CONSTRAINT   5  THR  CG2          7  ALA  HN     6.100   0.000
CONSTRAINT  22  LEU  CD1         60  CYS  HN     6.100   0.000
CONSTRAINT  22  LEU  CD2         60  CYS  HN     6.100   0.000
CONSTRAINT  22  LEU  CG          48  CYS  HN     7.600   0.000
CONSTRAINT  22  LEU  CG          61  SER  HN     7.600   0.000
CONSTRAINT   2  VAL  CB          16  CYS  HN     7.600   0.000
CONSTRAINT   5  THR  CG2         14  VAL  HN     6.100   0.000
CONSTRAINT  39  VAL  CB          28  TRP  HN     7.600   0.000
CONSTRAINT   1  ILE  CD1         63  ASP  HN     6.100   0.000
CONSTRAINT  39  VAL  CB          30  ASP  HN     7.600   0.000
CONSTRAINT   5  THR  CG2         12  SER  HN     6.100   0.000
CONSTRAINT   1  ILE  CD1         62  THR  HN     5.600   0.000
CONSTRAINT  22  LEU  CD1         47  THR  HN     6.100   0.000
CONSTRAINT  22  LEU  CD2         47  THR  HN     6.100   0.000
CONSTRAINT  39  VAL  CG1         28  TRP  HD1    6.100   0.000
CONSTRAINT  39  VAL  CG2         28  TRP  HD1    6.100   0.000
CONSTRAINT  40  VAL  CB          68  HIS  HD2    7.100   0.000
CONSTRAINT  40  VAL  CG1         41  GLU  HN     6.000   0.000
CONSTRAINT  40  VAL  CG2         41  GLU  HN     6.000   0.000
CONSTRAINT   5  THR  CG2          8  THR  HN     5.600   0.000
CONSTRAINT  39  VAL  CB          28  TRP  HH2    6.900   0.000
CONSTRAINT  57  VAL  CB          24  TYR  CG     9.500   0.000
CONSTRAINT   3  CYS  HN           6  THR  HN     5.000   0.000
CONSTRAINT  45  ALA  HN          22  LEU  HN     4.500   0.000
CONSTRAINT  36  ARG  HN          33  CYS  HN     4.500   0.000
CONSTRAINT  24  TYR  HN          66  ASN  ND2    6.500   0.000
CONSTRAINT   5  THR  HN          12  SER  HN     5.000   0.000
CONSTRAINT   2  VAL  HN          64  LYS  HN     5.000   0.000
CONSTRAINT  60  CYS  HN          66  ASN  ND2    6.500   0.000
CONSTRAINT  24  TYR  HN          66  ASN  ND2    6.500   0.000
CONSTRAINT  26  LYS  HN          24  TYR  CG     7.100   0.000
CONSTRAINT  45  ALA  HN          24  TYR  CZ     7.100   0.000
CONSTRAINT  24  TYR  HN          43  GLY  HN     4.500   0.000
CONSTRAINT  66  ASN  HN           4  HIS  HD2    4.000   0.000
CONSTRAINT  43  GLY  HN          66  ASN  ND2    6.500   0.000
CONSTRAINT  27  MET  HN          56  GLU  O      2.500   1.600
CONSTRAINT  27  MET  N           56  GLU  O      3.300   2.5
CONSTRAINT  58  THR  HN          25  ARG  O      2.500   1.600
CONSTRAINT  58  THR  N           25  ARG  O      3.300   2.5
CONSTRAINT  25  ARG  HN          58  THR  O      2.500   1.600
CONSTRAINT  25  ARG  N           58  THR  O      3.300   2.5
CONSTRAINT  23  CYS  HN          60  CYS  O      2.500   1.600
CONSTRAINT  23  CYS  N           60  CYS  O      3.300   2.5
CONSTRAINT  41  GLU  HN          26  LYS  O      2.500   1.600
CONSTRAINT  41  GLU  N           26  LYS  O      3.300   2.5
CONSTRAINT  26  LYS  HN          41  GLU  O      2.500   1.600
CONSTRAINT  26  LYS  N           41  GLU  O      3.300   2.5
CONSTRAINT  24  TYR  HN          43  GLY  O      2.500   1.600
CONSTRAINT  24  TYR  N           43  GLY  O      3.300   2.5
CONSTRAINT  45  ALA  HN          22  LEU  O      2.500   1.600
CONSTRAINT  45  ALA  N           22  LEU  O      3.300   2.5
CONSTRAINT  22  LEU  HN          45  ALA  O      2.500   1.700
CONSTRAINT  22  LEU  N           45  ALA  O      3.300   2.5
CONSTRAINT  56  GLU  CA          40  VAL  CA    10.500   9.5
CONSTRAINT  57  VAL  CA          41  GLU  CA    10.500   9.5
CONSTRAINT  58  THR  CA          42  LEU  CA    10.500   9.5
CONSTRAINT  59  CYS  CA          43  GLY  HA1   10.500   9.5
CONSTRAINT  59  CYS  CA          43  GLY  HA2   10.500   9.5
CONSTRAINT  57  VAL  N           41  GLU  N     10.500   9.5
CONSTRAINT  58  THR  N           42  LEU  N     10.500   9.5
CONSTRAINT  59  CYS  N           43  GLY  N     10.500   9.5
CONSTRAINT  60  CYS  N           44  CYS  N     10.500   9.5
CONSTRAINT   5  THR  HA          14  VAL  CB     7.100   0.000
CONSTRAINT  45  ALA  HA          22  LEU  CG     7.100   0.000
CONSTRAINT  47  THR  HA          22  LEU  CG     7.600   0.000
CONSTRAINT  30  ASP  HN          39  VAL  CB     7.600   0.000
CONSTRAINT  22  LEU  HN           1  ILE  CG2    6.100   0.000
CONSTRAINT  68  HIS  HD2         11  ILE  CD1    5.100   0.000
CONSTRAINT   3  CYS  HA          64  LYS  HA     4.500   0.000
CONSTRAINT  63  ASP  HA          64  LYS  HA     5.000   0.000
CONSTRAINT  47  THR  HA          48  CYS  CB     5.600   0.000
CONSTRAINT  55  GLU  HA          28  TRP  HB1    4.500   0.000
CONSTRAINT  55  GLU  HA          28  TRP  HB2    4.500   0.000
CONSTRAINT   4  HIS  HD2         67  PRO  HA     4.000   0.000
CONSTRAINT  68  HIS  HD2         40  VAL  CG1    6.100   0.000
CONSTRAINT  68  HIS  HD2         40  VAL  CG2    6.100   0.000
CONSTRAINT  68  HIS  HA          69  PRO  HD1    4.000   0.000
CONSTRAINT  68  HIS  HA          69  PRO  HD2    4.000   0.000
CONSTRAINT  66  ASN  HA          67  PRO  CD     4.700   0.000
CONSTRAINT  62  THR  HB1         63  ASP  HN     4.000   0.000
CONSTRAINT  47  THR  HB1         48  CYS  HN     4.000   0.000
CONSTRAINT  35  SER  HB1         36  ARG  HN     5.000   0.000
CONSTRAINT  35  SER  HB2         36  ARG  HN     5.000   0.000
CONSTRAINT  12  SER  CB          13  ALA  HN     5.100   0.000
CONSTRAINT  50  SER  HB1         51  LYS  HN     4.500   0.000
CONSTRAINT  50  SER  HB2         51  LYS  HN     4.500   0.000
CONSTRAINT  59  CYS  CB          60  CYS  HN     5.600   0.000
CONSTRAINT  60  CYS  HB1         61  SER  HN     4.900   0.000
CONSTRAINT  60  CYS  HB2         61  SER  HN     4.900   0.000
CONSTRAINT  28  TRP  HB1         29  CYS  HN     5.000   0.000
CONSTRAINT  28  TRP  HB2         29  CYS  HN     5.000   0.000
CONSTRAINT  30  ASP  CB          31  ALA  HN     5.100   0.000
CONSTRAINT  33  CYS  CB          34  SER  HN     5.600   0.000
CONSTRAINT  23  CYS  CB          24  TYR  HN     5.600   0.000
CONSTRAINT   3  CYS  CB           4  HIS  HN     5.100   0.000
CONSTRAINT  44  CYS  HB1         45  ALA  HN     5.000   0.000
CONSTRAINT  44  CYS  HB2         45  ALA  HN     5.000   0.000
CONSTRAINT  24  TYR  CB          25  ARG  HN     5.600   0.000
CONSTRAINT  30  ASP  CB          31  ALA  HN     5.100   0.000
CONSTRAINT  10  PRO  CB          11  ILE  HN     5.500   0.000
CONSTRAINT  18  PRO  CB          19  GLY  HN     5.600   0.000
CONSTRAINT  55  GLU  CB          56  GLU  HN     5.100   0.000
CONSTRAINT  45  ALA  HN          46  ALA  HN     5.000   0.000
CONSTRAINT  14  VAL  HN          15  THR  HN     5.000   0.000
CONSTRAINT   6  THR  HN           7  THR  HN     4.500   0.000
CONSTRAINT  38  LYS  HN          39  VAL  HN     5.000   0.000
CONSTRAINT  21  ASN  HN          22  LEU  HN     4.000   0.000
CONSTRAINT  50  SER  HN          51  LYS  HN     5.000   0.000
CONSTRAINT  32  PHE  HN          33  CYS  HN     4.000   0.000
CONSTRAINT  35  SER  HN          36  ARG  HN     3.600   0.000
CONSTRAINT  36  ARG  HN          37  GLY  HN     4.000   0.000
CONSTRAINT  37  GLY  HN          38  LYS  HN     4.000   0.000
CONSTRAINT  11  ILE  HN          12  SER  HN     5.000   0.000
CONSTRAINT  19  GLY  HN          20  GLU  HN     4.000   0.000
CONSTRAINT  33  CYS  HN          34  SER  HN     5.000   0.000
CONSTRAINT  34  SER  HN          35  SER  HN     4.500   0.000
CONSTRAINT  65  CYS  HN          66  ASN  HN     4.000   0.000
CONSTRAINT  64  LYS  HN          65  CYS  HN     4.500   0.000
CONSTRAINT  61  SER  HN          62  THR  HN     4.000   0.000
CONSTRAINT  46  ALA  HN          47  THR  HN     3.600   0.000
CONSTRAINT   7  ALA  HN           8  THR  HN     4.000   0.000
CONSTRAINT  43  GLY  HN          44  CYS  HN     5.000   0.000
CONSTRAINT  47  THR  HN          48  CYS  HN     5.000   0.000
CONSTRAINT  20  GLU  HN          21  GLU  HN     5.000   0.000
CONSTRAINT  54  TYR  HN          55  GLU  HN     5.000   0.000
CONSTRAINT  22  LEU  CD1         23  CYS  HN     5.600   0.000
CONSTRAINT  22  LEU  CD2         23  CYS  HN     5.600   0.000
CONSTRAINT   2  VAL  CB           3  CYS  HN     7.100   0.000
CONSTRAINT  13  ALA  CB          14  VAL  HN     5.600   0.000
CONSTRAINT  15  THR  CG2         16  CYS  HN     5.100   0.000
CONSTRAINT  45  ALA  CB          46  ALA  HN     4.700   0.000
CONSTRAINT  22  LEU  HB1         23  CYS  HN     5.000   0.000
CONSTRAINT  22  LEU  HB2         23  CYS  HN     5.000   0.000
CONSTRAINT  55  GLU  CG          56  GLU  HN     5.600   0.000
CONSTRAINT  14  VAL  CG1         15  THR  HN     5.100   0.000
CONSTRAINT  14  VAL  CG2         15  THR  HN     5.100   0.000
CONSTRAINT   8  THR  CG2          9  SER  HN     5.100   0.000
CONSTRAINT  31  ALA  CB          32  PHE  HN     5.100   0.000
CONSTRAINT  62  THR  CG2         63  ASP  HN     5.100   0.000
CONSTRAINT  38  LYS  HB1         39  VAL  HN     5.000   0.000
CONSTRAINT  38  LYS  HB2         39  VAL  HN     5.000   0.000
CONSTRAINT  67  PRO  CB          68  HIS  HN     5.600   0.000
CONSTRAINT  67  PRO  CG          68  HIS  HN     6.100   0.000
CONSTRAINT  34  SER  CB          35  SER  HN     6.100   0.000
CONSTRAINT  58  THR  CG2         59  CYS  HN     5.600   0.000
CONSTRAINT  57  VAL  CG1         58  THR  HN     6.100   0.000
CONSTRAINT  57  VAL  CG2         58  THR  HN     6.100   0.000
CONSTRAINT  47  THR  CG2         48  CYS  HN     5.600   0.000
CONSTRAINT  69  PRO  CG          70  LYS  HN     5.600   0.000
CONSTRAINT  57  VAL  HB1         58  THR  HN     5.000   0.000
CONSTRAINT   2  VAL  CB           3  CYS  HN     7.100   0.000
CONSTRAINT  49  PRO  CB          50  SER  HN     6.100   0.000
CONSTRAINT   1  ILE  CG1          2  VAL  HN     5.600   0.000
CONSTRAINT   1  ILE  CD1          2  VAL  HN     6.100   0.000
CONSTRAINT  11  ILE  CG2         12  SER  HN     5.000   0.000
CONSTRAINT  39  VAL  CG1         40  VAL  HN     5.600   0.000
CONSTRAINT  39  VAL  CG2         40  VAL  HN     5.600   0.000
CONSTRAINT  46  ALA  CB          47  THR  HN     4.700   0.000
CONSTRAINT  53  PRO  CB          54  TYR  HN     6.100   0.000
CONSTRAINT  42  LEU  CG          43  GLY  HN     7.600   0.000
CONSTRAINT  42  LEU  CB          43  GLY  HN     6.100   0.000
CONSTRAINT  42  LEU  CG           4  HIS  HE1    7.600   0.000
CONSTRAINT  36  ARG  CG          33  CYS  HN     6.100   0.000
CONSTRAINT  45  ALA  CB          47  THR  HN     6.100   0.000
CONSTRAINT  27  MET  CE          25  ARG  HE     5.600   0.000
CONSTRAINT  11  ILE  CG2         68  HIS  HD2    6.100   0.000
CONSTRAINT  51  LYS  CB          54  TYR  CG     8.100   0.000
CONSTRAINT  55  GLU  CG          54  TYR  CG     7.100   0.000
CONSTRAINT  42  LEU  CG           4  HIS  HD2    7.600   0.000
CONSTRAINT  24  TYR  CZ          26  LYS  HN     7.000   0.000
CONSTRAINT  44  CYS  HN          24  TYR  CZ     6.500   0.000
CONSTRAINT   8  THR  HB1          9  SER  HN     4.500   0.000
CONSTRAINT  20  GLU  HA          22  LEU  HN     4.500   0.000
CONSTRAINT  65  CYS  CB          61  CYS  HN     6.100   0.000
CONSTRAINT  25  ARG  CD          27  MET  HN     5.400   0.000
CONSTRAINT   4  HIS  CB          24  TYR  HN     6.100   0.000
CONSTRAINT  67  PRO  CB          66  ASN  HN     6.100   0.000
CONSTRAINT   3  CYS  CB          66  ASN  ND2    7.400   0.000
CONSTRAINT  65  CYS  CB          62  THR  HN     6.100   0.000
CONSTRAINT  60  CYS  CB          62  THR  HN     6.100   0.000
CONSTRAINT  60  CYS  CB           4  HIS  HD2    6.100   0.000
CONSTRAINT   4  HIS  CB          24  TYR  CZ     8.100   0.000
CONSTRAINT  69  PRO  CG          68  HIS  HE1    6.100   0.000
CONSTRAINT  39  VAL  CB          30  ASP  HN     7.600   0.000
CONSTRAINT  39  VAL  CG1         28  TRP  HN     6.100   0.000
CONSTRAINT  39  VAL  CG2         28  TRP  HN     6.100   0.000
CONSTRAINT  22  LEU  CB          45  ALA  HN     6.100   0.000
CONSTRAINT  11  ILE  CG2          5  THR  HN     5.600   0.000
CONSTRAINT  22  LEU  CG          48  CYS  HN     7.100   0.000
CONSTRAINT   2  VAL  CB          14  VAL  HN     7.100   0.000
CONSTRAINT   5  THR  HG1          7  ALA  HN     4.500   0.000
CONSTRAINT   6  THR  HG1          7  ALA  HN     5.000   0.000
CONSTRAINT   5  THR  HG1          6  THR  HN     5.000   0.000
CONSTRAINT   6  THR  HG1          6  THR  HN     5.000   0.000
CONSTRAINT   5  THR  HG1          7  ALA  CB     5.600   0.000
CONSTRAINT   1  ILE  HA           2  VAL  HN     3.100   0.000
CONSTRAINT   3  CYS  HA           4  HIS  HN     3.100   0.000
CONSTRAINT   4  HIS  HA           5  THR  HN     3.100   0.000
CONSTRAINT   5  THR  HA           6  THR  HN     3.100   0.000
CONSTRAINT   8  THR  HA           9  SER  HN     2.600   0.000
CONSTRAINT  10  PRO  HA          11  ILE  HN     3.100   0.000
CONSTRAINT  11  ILE  HA          12  SER  HN     3.100   0.000
CONSTRAINT  12  SER  HA          13  ALA  HN     3.100   0.000
CONSTRAINT  13  ALA  HA          14  VAL  HN     2.600   0.000
CONSTRAINT  14  VAL  HA          15  THR  HN     3.100   0.000
CONSTRAINT  15  THR  HA          16  CYS  HN     2.600   0.000
CONSTRAINT  18  PRO  HA          19  GLY  HN     3.100   0.000
CONSTRAINT  20  GLU  HA          21  ASN  HN     3.100   0.000
CONSTRAINT  21  ASN  HA          22  LEU  HN     3.600   0.000
CONSTRAINT  23  CYS  HA          24  TYR  HN     3.100   0.000
CONSTRAINT  24  TYR  HA          25  ARG  HN     3.100   0.000
CONSTRAINT  25  ARG  HA          26  LYS  HN     3.100   0.000
CONSTRAINT  26  LYS  HA          27  MET  HN     2.600   0.000
CONSTRAINT  27  MET  HA          28  TRP  HN     3.100   0.000
CONSTRAINT  28  TRP  HA          29  CYS  HN     3.100   0.000
CONSTRAINT  29  CYS  HA          30  ASP  HN     3.100   0.000
CONSTRAINT  31  ALA  HA          32  PHE  HN     3.100   0.000
CONSTRAINT  37  GLY  HA1         38  LYS  HN     3.100   0.000
CONSTRAINT  37  GLY  HA2         38  LYS  HN     3.100   0.000
CONSTRAINT  38  LYS  HA          39  VAL  HN     2.600   0.000
CONSTRAINT  39  VAL  HA          40  VAL  HN     3.100   0.000
CONSTRAINT  40  VAL  HA          41  GLU  HN     3.100   0.000
CONSTRAINT  42  LEU  HA          43  GLY  HN     2.600   0.000
CONSTRAINT  43  GLY  HA1         44  CYS  HN     3.100   0.000
CONSTRAINT  43  GLY  HA2         44  CYS  HN     3.100   0.000
CONSTRAINT  44  CYS  HA          45  ALA  HN     2.600   0.000
CONSTRAINT  45  ALA  HA          46  ALA  HN     2.600   0.000
CONSTRAINT  47  THR  HA          48  CYS  HN     2.600   0.000
CONSTRAINT  49  PRO  HA          50  SER  HN     2.600   0.000
CONSTRAINT  50  SER  HA          51  LYS  HN     2.600   0.000
CONSTRAINT  51  LYS  HA          52  LYS  HN     2.600   0.000
CONSTRAINT  53  PRO  HA          54  TYR  HN     3.100   0.000
CONSTRAINT  55  GLU  HA          56  GLU  HN     3.100   0.000
CONSTRAINT  56  GLU  HA          57  VAL  HN     3.100   0.000
CONSTRAINT  57  VAL  HA          58  THR  HN     2.600   0.000
CONSTRAINT  58  THR  HA          59  CYS  HN     3.100   0.000
CONSTRAINT  59  CYS  HA          60  CYS  HN     2.600   0.000
CONSTRAINT  60  CYS  HA          61  SER  HN     2.600   0.000
CONSTRAINT  61  SER  HA          62  THR  HN     3.100   0.000
CONSTRAINT  62  THR  HA          63  ASP  HN     3.100   0.000
CONSTRAINT  63  ASP  HA          64  LYS  HN     3.100   0.000
CONSTRAINT  67  PRO  HA          68  HIS  HN     2.600   0.000
CONSTRAINT  69  PRO  HA          70  LYS  HN     3.100   0.000
CONSTRAINT  71  GLN  HA          72  ARG  HN     3.100   0.000
CONSTRAINT  73  PRO  HA          74  GLY  HN     3.100   0.000
CONSTRAINT   1  ILE  HB           2  VAL  HN     5.000   0.000
CONSTRAINT   2  VAL  CG1         15  THR  HA     6.000   0.000
CONSTRAINT   2  VAL  CG2         15  THR  HA     6.000   0.000
CONSTRAINT   6  THR  CG2         68  HIS  HD2    6.000   0.000
CONSTRAINT   5  THR  HA          14  VAL  HB1    6.900   0.000
CONSTRAINT  13  ALA  CB           4  HIS  HE1    5.500   0.000
CONSTRAINT  22  LEU  CD1         59  CYS  CB     6.500   0.000
CONSTRAINT  22  LEU  CD2         59  CYS  CB     6.500   0.000
CONSTRAINT  22  LEU  CD1         47  THR  HA     5.000   0.000
CONSTRAINT  22  LEU  CD2         47  THR  HA     5.000   0.000
CONSTRAINT  31  ALA  CB          32  PHE  CZ     8.000   0.000
CONSTRAINT  31  ALA  CB          32  PHE  CG     7.500   0.000
CONSTRAINT  39  VAL  CB          30  ASP  CB     8.400   0.000
CONSTRAINT  40  VAL  HB1         68  HIS  HD2    4.500   0.000
CONSTRAINT  42  LEU  CB          66  ASN  ND2    6.500   0.000
CONSTRAINT  46  ALA  CB          21  ASN  HN     6.000   0.000
CONSTRAINT  45  ALA  CB          24  TYR  CZ     7.500   0.000
CONSTRAINT  45  ALA  CB          24  TYR  CG     7.500   0.000
CONSTRAINT  52  LYS  CB          49  PRO  CD     7.000   0.000
CONSTRAINT  40  VAL  CB          68  HIS  HE1    7.400   0.000
CONSTRAINT  40  VAL  CB          68  HIS  HA     6.900   0.000
CONSTRAINT  40  VAL  CG1         69  PRO  HD1    6.000   0.000
CONSTRAINT  40  VAL  CG2         69  PRO  HD1    6.000   0.000
CONSTRAINT  40  VAL  CG1         69  PRO  HD2    6.000   0.000
CONSTRAINT  40  VAL  CG2         69  PRO  HD2    6.000   0.000
CONSTRAINT  26  LYS  CB          28  TRP  HE3    6.000   0.000
CONSTRAINT  68  HIS  HN           4  HIS  HD2    5.000   0.000
CONSTRAINT  24  TYR  HN          24  TYR  CG     6.500   0.000
CONSTRAINT  25  ARG  HN          24  TYR  CG     6.500   0.000
CONSTRAINT   4  HIS  HN           4  HIS  HD2    3.600   0.000
CONSTRAINT  29  CYS  HN          28  TRP  HD1    3.600   0.000
CONSTRAINT  27  MET  HN          28  TRP  HE3    5.000   0.000
CONSTRAINT   2  VAL  HA           2  VAL  HN     5.000   2.840
CONSTRAINT   5  THR  HA           5  THR  HN     5.000   2.840
CONSTRAINT   6  THR  HA           6  THR  HN     5.000   2.840
CONSTRAINT   7  ALA  HA           7  ALA  HN     2.810   0.000
CONSTRAINT   8  THR  HA           8  THR  HN     5.000   2.840
CONSTRAINT   9  SER  HA           9  SER  HN     5.000   2.840
CONSTRAINT  11  ILE  HA          11  ILE  HN     2.810   0.000
CONSTRAINT  12  SER  HA          12  SER  HN     5.000   2.840
CONSTRAINT  13  ALA  HA          13  ALA  HN     5.000   2.840
CONSTRAINT  16  CYS  HA          16  CYS  HN     2.810   0.000
CONSTRAINT  20  GLU  HA          20  GLU  HN     5.000   2.840
CONSTRAINT  21  ASN  HA          21  ASN  HN     5.000   2.840
CONSTRAINT  22  LEU  HA          22  LEU  HN     5.000   2.840
CONSTRAINT  23  CYS  HA          23  CYS  HN     5.000   2.840
CONSTRAINT  24  TYR  HA          24  TYR  HN     5.000   2.840
CONSTRAINT  25  ARG  HA          25  ARG  HN     5.000   2.840
CONSTRAINT  26  LYS  HA          26  LYS  HN     5.000   2.840
CONSTRAINT  27  MET  HA          27  MET  HN     5.000   2.840
CONSTRAINT  31  ALA  HA          31  ALA  HN     2.810   0.000
CONSTRAINT  44  CYS  HA          44  CYS  HN     5.000   2.840
CONSTRAINT  47  THR  HA          47  THR  HN     5.000   2.840
CONSTRAINT  48  CYS  HA          48  CYS  HN     2.810   0.000
CONSTRAINT  50  SER  HA          50  SER  HN     2.810   0.000
CONSTRAINT  51  LYS  HA          51  LYS  HN     2.810   0.000
CONSTRAINT  55  GLU  HA          55  GLU  HN     5.000   2.840
CONSTRAINT  56  GLU  HA          56  GLU  HN     5.000   2.840
CONSTRAINT  57  VAL  HA          57  VAL  HN     5.000   2.840
CONSTRAINT  58  THR  HA          58  THR  HN     5.000   2.840
CONSTRAINT  59  CYS  HA          59  CYS  HN     5.000   2.840
CONSTRAINT  61  SER  HA          61  SER  HN     5.000   2.840
CONSTRAINT  62  THR  HA          62  THR  HN     5.000   2.840
CONSTRAINT  63  ASP  HA          63  ASP  HN     2.810   0.000
CONSTRAINT  65  CYS  HA          65  CYS  HN     2.810   0.000
CONSTRAINT  66  ASN  HA          66  ASN  HN     5.000   2.840
CONSTRAINT  72  ARG  HA          72  ARG  HN     2.810   0.000
CONSTRAINT  30  ASP  HA          30  ASP  HB1    2.500   0.000
CONSTRAINT  30  ASP  HA          30  ASP  HB2    2.500   0.000
CONSTRAINT  24  TYR  HA          24  TYR  HB1    2.500   0.000
CONSTRAINT  24  TYR  HA          24  TYR  HB2    2.500   0.000
CONSTRAINT  28  TRP  HA          28  TRP  HB1    2.500   0.000
CONSTRAINT  28  TRP  HA          28  TRP  HB2    2.500   0.000
CONSTRAINT  61  SER  HA          61  SER  HB1    2.500   0.000
CONSTRAINT  61  SER  HA          61  SER  HB2    2.500   0.000
CONSTRAINT  12  SER  HA          12  SER  HB1    2.500   0.000
CONSTRAINT  12  SER  HA          12  SER  HB2    2.500   0.000
CONSTRAINT  60  CYS  HA          60  CYS  HB1    2.500   0.000
CONSTRAINT  60  CYS  HA          60  CYS  HB2    2.500   0.000
CONSTRAINT  65  CYS  HA          65  CYS  HB1    2.500   0.000
CONSTRAINT  65  CYS  HA          65  CYS  HB2    2.500   0.000
CONSTRAINT  35  SER  HA          35  SER  HB1    2.500   0.000
CONSTRAINT  35  SER  HA          35  SER  HB2    2.500   0.000
CONSTRAINT   5  THR  HA           5  THR  HB1    2.500   0.000
CONSTRAINT   2  VAL  HA           2  VAL  HB1    5.000   2.840
CONSTRAINT  62  THR  HA          62  THR  HB1    2.500   0.000
CONSTRAINT  58  THR  HA          58  THR  HB1    2.500   0.000
CONSTRAINT  15  THR  HA          15  THR  HB1    5.000   2.840
CONSTRAINT   8  THR  HA           8  THR  HB1    2.500   0.000
CONSTRAINT  47  THR  HA          47  THR  HB1    2.500   0.000
CONSTRAINT   6  THR  HA           6  THR  HB1    2.500   0.000
CONSTRAINT  14  VAL  HA          14  VAL  HB1    2.500   0.000
CONSTRAINT  11  ILE  HA          11  ILE  HB     5.000   2.840
CONSTRAINT   1  ILE  HA           1  ILE  HB     2.500   0.000
CONSTRAINT  39  VAL  HB1         28  TRP  HD1    6.000   0.000
CONSTRAINT  70  LYS  CG          68  HIS  HE1    6.000   0.000
CONSTRAINT  64  LYS  CB           4  HIS  HE1    5.000   0.000
CONSTRAINT   1  ILE  CD1         62  THR  HA     6.000   0.000
CONSTRAINT  19  GLY  CA          46  ALA  HN     6.000   0.000
CONSTRAINT  46  ALA  HA          22  LEU  HN     5.000   0.000
CONSTRAINT  29  CYS  HA          39  VAL  HN     5.000   0.000
CONSTRAINT  42  LEU  HA          26  LYS  HN     5.000   0.000
CONSTRAINT   4  HIS  HA          14  VAL  HN     5.000   0.000
CONSTRAINT   2  VAL  HA          16  CYS  HN     5.000   0.000
CONSTRAINT  38  LYS  HA          28  TRP  HN     5.000   0.000
CONSTRAINT  46  ALA  HA          20  GLU  HN     5.000   0.000
CONSTRAINT  60  CYS  HA          62  THR  HN     5.000   0.000
CONSTRAINT  76  HIS  HD1          5  THR  HA     5.000   0.000
CONSTRAINT  76  HIS  HD1          7  ALA  CB     6.000   0.000
CONSTRAINT  76  HIS  HD1         24  TYR  CZ     6.400   0.000
CONSTRAINT  76  HIS  HD1         43  GLY  HN     5.000   0.000
CONSTRAINT  76  HIS  HD1         43  GLY  CA     6.000   0.000
CONSTRAINT  76  HIS  HA           7  ALA  CB     6.000   0.000
CONSTRAINT  76  HIS  CB           6  THR  HB1    6.000   0.000
CONSTRAINT  76  HIS  CB           7  ALA  HA     6.000   0.000
CONSTRAINT  77  TRP  CD1          6  THR  HB1    5.000   0.000
CONSTRAINT  78  VAL  HA          39  VAL  CB     7.000   0.000
CONSTRAINT  78  VAL  HB1         39  VAL  CB     7.000   0.000
CONSTRAINT  78  VAL  HB1         40  VAL  CB     7.000   0.000
CONSTRAINT  78  VAL  CB          39  VAL  CG1    8.000   0.000
CONSTRAINT  78  VAL  CB          39  VAL  CG2    8.000   0.000
CONSTRAINT  79  TYR  CG          11  ILE  CD1    7.400   0.000
CONSTRAINT  79  TYR  CZ          11  ILE  CD1    7.400   0.000
CONSTRAINT  79  TYR  CG          68  HIS  HD2    6.400   0.000
CONSTRAINT  79  TYR  CZ          68  HIS  HD2    6.400   0.000
CONSTRAINT  79  TYR  CG           6  THR  HB1    6.400   0.000
CONSTRAINT  79  TYR  CZ           6  THR  HB1    6.400   0.000
CONSTRAINT  79  TYR  CZ          11  ILE  HN     6.400   0.000
CONSTRAINT  80  TYR  CG          30  ASP  HN     6.400   0.000
CONSTRAINT  80  TYR  CB          68  HIS  HD2    6.000   0.000
CONSTRAINT  80  TYR  HA          68  HIS  HD2    6.000   0.000


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 603 H/Q atoms
  Start of MODEL    1
    1   1H    ILE   1          1H        ILE   1  -2.735  12.014  -3.141
    2   2H    ILE   1          2H        ILE   1  -1.252  12.548  -3.772
    3   3H    ILE   1          3H        ILE   1  -2.574  12.296  -4.807
    4    HA   ILE   1           HA       ILE   1  -0.986  10.502  -4.994
    5    HB   ILE   1           HB       ILE   1  -1.231  10.334  -2.057
    6   1HG1  ILE   1          1HG1      ILE   1   0.345  12.000  -2.787
    7   2HG1  ILE   1          2HG1      ILE   1   1.234  10.569  -2.235
    8   1HG2  ILE   1          1HG2      ILE   1   0.014   8.267  -3.733
    9   2HG2  ILE   1          2HG2      ILE   1   0.231   8.505  -1.990
   10   3HG2  ILE   1          3HG2      ILE   1  -1.374   8.132  -2.641
   11   1HD1  ILE   1          3HD1      ILE   1   1.644   9.924  -4.576
   12   2HD1  ILE   1          1HD1      ILE   1   0.756  11.354  -5.127
   13   3HD1  ILE   1          2HD1      ILE   1   2.273  11.544  -4.229
   14    H    VAL   2           H        VAL   2  -2.624  10.089  -6.360
   15    HA   VAL   2           HA       VAL   2  -5.026   8.616  -5.432
   16    HB   VAL   2           HB       VAL   2  -5.417   8.769  -8.106
   17   1HG1  VAL   2          1HG1      VAL   2  -6.406  10.615  -6.020
   18   2HG1  VAL   2          2HG1      VAL   2  -7.073  10.429  -7.651
   19   3HG1  VAL   2          3HG1      VAL   2  -7.067   9.054  -6.535
   20   1HG2  VAL   2          3HG2      VAL   2  -4.152  11.424  -7.412
   21   2HG2  VAL   2          1HG2      VAL   2  -3.532  10.254  -8.589
   22   3HG2  VAL   2          2HG2      VAL   2  -5.087  11.056  -8.872
   23    H    CYS   3           H        CYS   3  -3.868   6.819  -4.846
   24    HA   CYS   3           HA       CYS   3  -3.547   4.947  -7.140
   25   1HB   CYS   3          1HB       CYS   3  -1.735   5.306  -4.750
   26   2HB   CYS   3          2HB       CYS   3  -1.706   3.877  -5.796
   27    H    HIS   4           H        HIS   4  -2.800   3.034  -4.853
   28    HA   HIS   4           HA       HIS   4  -5.506   1.993  -4.365
   29   1HB   HIS   4          1HB       HIS   4  -2.611   1.110  -3.974
   30   2HB   HIS   4          2HB       HIS   4  -3.973   0.130  -3.403
   31    HD2  HIS   4           HD2      HIS   4  -2.126   1.029  -6.588
   32    HE1  HIS   4           HE1      HIS   4  -6.021   0.193  -7.943
   33    HE2  HIS   4           HE2      HIS   4  -3.685   0.996  -8.612
   34    H    THR   5           H        THR   5  -5.706   4.161  -3.174
   35    HA   THR   5           HA       THR   5  -4.547   4.301  -0.504
   36    HB   THR   5           HB       THR   5  -6.593   6.008  -1.971
   37    HG1  THR   5           HG1      THR   5  -4.713   7.406  -1.925
   38   1HG2  THR   5          3HG2      THR   5  -7.139   6.207   0.364
   39   2HG2  THR   5          1HG2      THR   5  -5.453   6.608   0.728
   40   3HG2  THR   5          2HG2      THR   5  -6.419   7.686  -0.294
   41    H    THR   6           H        THR   6  -4.798   3.417   0.976
   42    HA   THR   6           HA       THR   6  -7.522   2.546   1.830
   43    HB   THR   6           HB       THR   6  -6.452   1.163   3.530
   44    HG1  THR   6           HG1      THR   6  -4.180   1.008   3.586
   45   1HG2  THR   6          3HG2      THR   6  -6.815   0.139   1.326
   46   2HG2  THR   6          1HG2      THR   6  -5.219   0.702   0.802
   47   3HG2  THR   6          2HG2      THR   6  -5.353  -0.497   2.099
   48    H    ALA   7           H        ALA   7  -6.052   5.293   2.062
   49    HA   ALA   7           HA       ALA   7  -6.555   5.836   4.909
   50   1HB   ALA   7          1HB       ALA   7  -5.992   7.715   2.579
   51   2HB   ALA   7          2HB       ALA   7  -6.031   8.175   4.289
   52   3HB   ALA   7          3HB       ALA   7  -4.780   7.069   3.698
   53    H    THR   8           H        THR   8  -8.482   5.153   5.175
   54    HA   THR   8           HA       THR   8 -10.765   5.093   5.433
   55    HB   THR   8           HB       THR   8 -12.062   7.019   5.410
   56    HG1  THR   8           HG1      THR   8 -11.130   9.039   4.794
   57   1HG2  THR   8          1HG2      THR   8  -9.270   7.480   6.487
   58   2HG2  THR   8          2HG2      THR   8 -10.731   8.338   7.005
   59   3HG2  THR   8          3HG2      THR   8 -10.577   6.597   7.293
   60    H    SER   9           H        SER   9  -9.747   3.888   3.224
   61    HA   SER   9           HA       SER   9 -11.946   3.928   1.280
   62   1HB   SER   9          1HB       SER   9  -9.096   4.458   0.366
   63   2HB   SER   9          2HB       SER   9 -10.527   4.306  -0.666
   64    HG   SER   9           HG       SER   9  -9.938   6.506  -0.286
   65    HA   PRO  10           HA       PRO  10 -10.435  -0.326   1.225
   66   1HB   PRO  10          1HB       PRO  10 -12.401  -1.428  -0.323
   67   2HB   PRO  10          2HB       PRO  10 -12.567  -1.117   1.413
   68   1HG   PRO  10          1HG       PRO  10 -13.524   0.584  -0.917
   69   2HG   PRO  10          2HG       PRO  10 -14.391   0.155   0.568
   70   1HD   PRO  10          2HD       PRO  10 -13.159   2.562   0.306
   71   2HD   PRO  10          1HD       PRO  10 -13.205   1.721   1.866
   72    H    ILE  11           H        ILE  11  -8.655   0.512   0.109
   73    HA   ILE  11           HA       ILE  11  -7.037   0.524  -1.537
   74    HB   ILE  11           HB       ILE  11  -8.526  -1.793  -2.719
   75   1HG1  ILE  11          1HG1      ILE  11  -6.332  -2.031  -0.692
   76   2HG1  ILE  11          2HG1      ILE  11  -8.007  -1.811  -0.155
   77   1HG2  ILE  11          3HG2      ILE  11  -6.644  -0.902  -4.065
   78   2HG2  ILE  11          1HG2      ILE  11  -5.584  -1.000  -2.647
   79   3HG2  ILE  11          2HG2      ILE  11  -6.237  -2.481  -3.369
   80   1HD1  ILE  11          1HD1      ILE  11  -7.000  -4.053  -1.942
   81   2HD1  ILE  11          2HD1      ILE  11  -7.405  -4.197  -0.224
   82   3HD1  ILE  11          3HD1      ILE  11  -8.674  -3.833  -1.405
   83    H    SER  12           H        SER  12  -8.663   2.550  -1.931
   84    HA   SER  12           HA       SER  12  -9.849   2.457  -4.676
   85   1HB   SER  12          1HB       SER  12 -10.719   4.615  -2.878
   86   2HB   SER  12          2HB       SER  12 -11.667   3.574  -3.954
   87    HG   SER  12           HG       SER  12 -12.168   3.230  -1.721
   88    H    ALA  13           H        ALA  13  -9.461   4.092  -6.051
   89    HA   ALA  13           HA       ALA  13  -7.166   5.844  -5.633
   90   1HB   ALA  13          1HB       ALA  13  -9.188   5.690  -7.900
   91   2HB   ALA  13          2HB       ALA  13  -7.666   6.595  -7.934
   92   3HB   ALA  13          3HB       ALA  13  -7.642   4.826  -7.835
   93    H    VAL  14           H        VAL  14  -7.537   6.759  -3.881
   94    HA   VAL  14           HA       VAL  14  -9.064   9.327  -3.988
   95    HB   VAL  14           HB       VAL  14  -8.595   7.476  -1.652
   96   1HG1  VAL  14          3HG1      VAL  14  -8.183   9.639  -0.802
   97   2HG1  VAL  14          1HG1      VAL  14  -9.704  10.235  -1.487
   98   3HG1  VAL  14          2HG1      VAL  14  -9.729   9.003  -0.215
   99   1HG2  VAL  14          1HG2      VAL  14 -10.537   6.906  -3.071
  100   2HG2  VAL  14          2HG2      VAL  14 -11.056   7.520  -1.492
  101   3HG2  VAL  14          3HG2      VAL  14 -11.134   8.566  -2.920
  102    H    THR  15           H        THR  15  -7.771  11.018  -4.018
  103    HA   THR  15           HA       THR  15  -4.965  11.065  -3.369
  104    HB   THR  15           HB       THR  15  -5.565  13.652  -3.161
  105    HG1  THR  15           HG1      THR  15  -7.496  14.131  -4.294
  106   1HG2  THR  15          1HG2      THR  15  -5.808  12.187  -5.805
  107   2HG2  THR  15          2HG2      THR  15  -5.466  13.914  -5.599
  108   3HG2  THR  15          3HG2      THR  15  -4.295  12.707  -5.043
  109    H    CYS  16           H        CYS  16  -4.564  10.305  -1.419
  110    HA   CYS  16           HA       CYS  16  -6.098  10.684   0.973
  111   1HB   CYS  16          1HB       CYS  16  -4.001   9.716   2.048
  112   2HB   CYS  16          2HB       CYS  16  -4.740   8.724   0.780
  113    HA   PRO  17           HA       PRO  17  -4.723  14.583   2.529
  114   1HB   PRO  17          1HB       PRO  17  -6.688  13.685   4.596
  115   2HB   PRO  17          2HB       PRO  17  -6.376  15.301   3.941
  116   1HG   PRO  17          1HG       PRO  17  -8.464  13.911   3.005
  117   2HG   PRO  17          2HG       PRO  17  -7.439  14.790   1.857
  118   1HD   PRO  17          2HD       PRO  17  -7.423  11.828   2.533
  119   2HD   PRO  17          1HD       PRO  17  -7.304  12.600   0.943
  120    HA   PRO  18           HA       PRO  18  -2.513  12.263   5.948
  121   1HB   PRO  18          1HB       PRO  18  -3.258   9.366   5.731
  122   2HB   PRO  18          2HB       PRO  18  -3.028  10.349   7.187
  123   1HG   PRO  18          1HG       PRO  18  -5.512   9.648   6.415
  124   2HG   PRO  18          2HG       PRO  18  -5.212  11.271   7.059
  125   1HD   PRO  18          2HD       PRO  18  -5.402  10.396   4.151
  126   2HD   PRO  18          1HD       PRO  18  -6.177  11.783   4.936
  127    H    GLY  19           H        GLY  19  -0.783  12.623   4.687
  128   1HA   GLY  19          1HA       GLY  19   1.199  10.988   4.597
  129   2HA   GLY  19          2HA       GLY  19   0.313  10.251   3.252
  130    H    GLU  20           H        GLU  20   2.477  10.676   2.385
  131    HA   GLU  20           HA       GLU  20   2.769  13.439   1.276
  132   1HB   GLU  20          1HB       GLU  20   4.882  11.605   2.262
  133   2HB   GLU  20          2HB       GLU  20   5.196  13.012   1.232
  134   1HG   GLU  20          1HG       GLU  20   5.608  13.826   3.342
  135   2HG   GLU  20          2HG       GLU  20   3.937  14.338   3.051
  136    H    ASN  21           H        ASN  21   4.945  12.783  -0.322
  137    HA   ASN  21           HA       ASN  21   3.611  12.498  -2.863
  138   1HB   ASN  21          1HB       ASN  21   5.916  13.070  -3.660
  139   2HB   ASN  21          2HB       ASN  21   5.345  14.170  -2.392
  140   1HD2  ASN  21          2HD2      ASN  21   8.651  11.848  -1.826
  141   2HD2  ASN  21          1HD2      ASN  21   7.708  11.780  -3.278
  142    H    LEU  22           H        LEU  22   4.133   9.907  -1.281
  143    HA   LEU  22           HA       LEU  22   4.681   8.348  -3.760
  144   1HB   LEU  22          1HB       LEU  22   5.472   7.586  -0.947
  145   2HB   LEU  22          2HB       LEU  22   5.559   6.522  -2.361
  146    HG   LEU  22           HG       LEU  22   7.286   8.933  -1.760
  147   1HD1  LEU  22          3HD1      LEU  22   7.741   6.778  -0.618
  148   2HD1  LEU  22          1HD1      LEU  22   7.731   5.946  -2.182
  149   3HD1  LEU  22          2HD1      LEU  22   8.999   7.129  -1.815
  150   1HD2  LEU  22          3HD2      LEU  22   7.320   7.167  -4.236
  151   2HD2  LEU  22          1HD2      LEU  22   6.804   8.862  -4.209
  152   3HD2  LEU  22          2HD2      LEU  22   8.484   8.441  -3.836
  153    H    CYS  23           H        CYS  23   3.597   6.778  -4.191
  154    HA   CYS  23           HA       CYS  23   1.304   5.758  -2.635
  155   1HB   CYS  23          1HB       CYS  23   2.355   5.146  -5.417
  156   2HB   CYS  23          2HB       CYS  23   0.931   4.384  -4.687
  157    OH   TYR  24           OH       TYR  24  -2.498   5.115  -2.931
  158    H    TYR  24           H        TYR  24   1.785   4.457  -1.229
  159    HA   TYR  24           HA       TYR  24   3.395   2.847  -0.204
  160   1HB   TYR  24          1HB       TYR  24   1.368   1.221  -0.022
  161   2HB   TYR  24          2HB       TYR  24   1.610   2.757   0.827
  162    HD1  TYR  24           HD2      TYR  24   0.000   1.383  -2.342
  163    HD2  TYR  24           HD1      TYR  24  -0.065   4.358   0.802
  164    HE1  TYR  24           HE2      TYR  24  -1.536   2.813  -3.695
  165    HE2  TYR  24           HE1      TYR  24  -1.667   5.740  -0.507
  166    HH   TYR  24           HH       TYR  24  -2.664   4.674  -3.779
  167    NH1  ARG  25           NH1      ARG  25   5.426  -5.302  -3.985
  168    NH2  ARG  25           NH2      ARG  25   4.696  -7.286  -3.237
  169    H    ARG  25           H        ARG  25   1.791   0.805  -2.829
  170    HA   ARG  25           HA       ARG  25   1.514  -1.241  -1.283
  171   1HB   ARG  25          1HB       ARG  25   1.442  -1.527  -3.770
  172   2HB   ARG  25          2HB       ARG  25   3.197  -1.770  -3.749
  173   1HG   ARG  25          1HG       ARG  25   2.532  -3.587  -1.901
  174   2HG   ARG  25          2HG       ARG  25   1.005  -3.565  -2.801
  175   1HD   ARG  25          1HD       ARG  25   1.929  -4.525  -4.664
  176   2HD   ARG  25          2HD       ARG  25   3.507  -3.761  -4.408
  177    HE   ARG  25           HE       ARG  25   2.542  -6.077  -2.807
  178   1HH1  ARG  25          1HH1      ARG  25   5.244  -4.396  -4.368
  179   2HH1  ARG  25          2HH1      ARG  25   6.348  -5.689  -4.031
  180   1HH2  ARG  25          1HH2      ARG  25   3.947  -7.916  -3.032
  181   2HH2  ARG  25          2HH2      ARG  25   5.633  -7.629  -3.305
  182    H    LYS  26           H        LYS  26   2.272  -0.933   0.604
  183    HA   LYS  26           HA       LYS  26   5.013  -1.947   1.126
  184   1HB   LYS  26          1HB       LYS  26   3.007  -0.964   3.130
  185   2HB   LYS  26          2HB       LYS  26   4.724  -1.318   3.393
  186   1HG   LYS  26          1HG       LYS  26   5.313   0.471   1.781
  187   2HG   LYS  26          2HG       LYS  26   3.591   0.850   1.602
  188   1HD   LYS  26          1HD       LYS  26   3.560   1.225   4.129
  189   2HD   LYS  26          2HD       LYS  26   5.330   1.179   4.055
  190   1HE   LYS  26           HE1      LYS  26   5.163   2.946   2.210
  191   2HE   LYS  26           HE2      LYS  26   3.457   3.113   2.653
  192   1HZ   LYS  26          1HZ       LYS  26   5.765   3.488   4.466
  193   2HZ   LYS  26          2HZ       LYS  26   4.827   4.725   3.777
  194   3HZ   LYS  26          3HZ       LYS  26   4.129   3.649   4.891
  195    H    MET  27           H        MET  27   4.831  -4.017   0.554
  196    HA   MET  27           HA       MET  27   2.929  -5.796   1.996
  197   1HB   MET  27          1HB       MET  27   2.620  -5.577  -0.457
  198   2HB   MET  27          2HB       MET  27   4.235  -6.270  -0.676
  199   1HG   MET  27          1HG       MET  27   3.559  -8.334   0.366
  200   2HG   MET  27          2HG       MET  27   1.988  -7.646   0.809
  201   1HE   MET  27          1HE       MET  27   0.591  -9.473  -0.109
  202   2HE   MET  27          2HE       MET  27   0.821 -10.267  -1.676
  203   3HE   MET  27          3HE       MET  27   2.084 -10.369  -0.437
  204    CH2  TRP  28           CH2      TRP  28   3.466  -3.828   6.931
  205    H    TRP  28           H        TRP  28   3.591  -7.399   3.049
  206    HA   TRP  28           HA       TRP  28   6.209  -8.715   2.722
  207   1HB   TRP  28          1HB       TRP  28   6.699  -8.749   5.031
  208   2HB   TRP  28          2HB       TRP  28   6.697  -7.111   4.356
  209    HD1  TRP  28           HD1      TRP  28   5.579  -9.019   7.220
  210    HE1  TRP  28           HE1      TRP  28   4.653  -7.356   8.905
  211    HE3  TRP  28           HE3      TRP  28   4.427  -5.295   3.982
  212    HZ2  TRP  28           HZ2      TRP  28   3.599  -4.755   8.891
  213    HZ3  TRP  28           HZ3      TRP  28   3.442  -3.181   4.861
  214    HH2  TRP  28           HH2      TRP  28   3.048  -2.900   7.307
  215    H    CYS  29           H        CYS  29   5.660 -10.393   5.057
  216    HA   CYS  29           HA       CYS  29   4.631 -12.662   4.240
  217   1HB   CYS  29          1HB       CYS  29   4.229 -11.381   6.870
  218   2HB   CYS  29          2HB       CYS  29   3.631 -13.012   6.527
  219    H    ASP  30           H        ASP  30   1.211 -12.402   3.175
  220    HA   ASP  30           HA       ASP  30   1.817 -14.227   2.109
  221   1HB   ASP  30          1HB       ASP  30   4.709 -13.695   2.799
  222   2HB   ASP  30          2HB       ASP  30   4.091 -14.858   1.615
  223    H    ALA  31           H        ALA  31   0.721 -15.508   3.054
  224    HA   ALA  31           HA       ALA  31  -0.267 -16.762   4.704
  225   1HB   ALA  31          1HB       ALA  31   2.596 -17.635   5.255
  226   2HB   ALA  31          2HB       ALA  31   1.134 -18.457   5.828
  227   3HB   ALA  31          3HB       ALA  31   1.491 -18.391   4.094
  228    H    PHE  32           H        PHE  32   0.345 -14.044   5.471
  229    HA   PHE  32           HA       PHE  32   1.655 -12.761   6.966
  230   1HB   PHE  32          1HB       PHE  32   0.514 -12.074   8.710
  231   2HB   PHE  32          2HB       PHE  32  -0.537 -12.337   7.307
  232    HD1  PHE  32           HD1      PHE  32  -1.979 -14.488   7.290
  233    HD2  PHE  32           HD2      PHE  32  -0.100 -12.835  10.812
  234    HE1  PHE  32           HE1      PHE  32  -3.884 -15.321   8.674
  235    HE2  PHE  32           HE2      PHE  32  -2.024 -13.647  12.218
  236    HZ   PHE  32           HZ       PHE  32  -3.899 -14.883  11.128
  237    H    CYS  33           H        CYS  33   3.003 -14.801   6.616
  238    HA   CYS  33           HA       CYS  33   3.797 -16.936   7.364
  239   1HB   CYS  33          1HB       CYS  33   6.023 -16.274   8.490
  240   2HB   CYS  33          2HB       CYS  33   5.716 -15.704   6.840
  241    H    SER  34           H        SER  34   1.892 -17.256   8.357
  242    HA   SER  34           HA       SER  34   2.438 -18.977  10.603
  243   1HB   SER  34          1HB       SER  34   1.023 -18.023  12.262
  244   2HB   SER  34          2HB       SER  34   2.396 -16.974  11.875
  245    HG   SER  34           HG       SER  34   0.402 -15.800  12.031
  246    H    SER  35           H        SER  35  -0.651 -17.317  10.086
  247    HA   SER  35           HA       SER  35  -1.862 -19.897   9.211
  248   1HB   SER  35          1HB       SER  35  -3.783 -19.346  10.641
  249   2HB   SER  35          2HB       SER  35  -2.267 -19.575  11.527
  250    HG   SER  35           HG       SER  35  -3.410 -17.663  12.209
  251    NH1  ARG  36           NH2      ARG  36  -2.375 -21.173   0.817
  252    NH2  ARG  36           NH1      ARG  36  -3.811 -19.549   0.189
  253    H    ARG  36           H        ARG  36  -1.113 -17.886   7.415
  254    HA   ARG  36           HA       ARG  36  -1.763 -17.066   5.390
  255   1HB   ARG  36          1HB       ARG  36  -3.896 -19.133   5.899
  256   2HB   ARG  36          2HB       ARG  36  -3.970 -18.100   4.462
  257   1HG   ARG  36          1HG       ARG  36  -1.594 -18.734   3.947
  258   2HG   ARG  36          2HG       ARG  36  -1.633 -19.857   5.317
  259   1HD   ARG  36          1HD       ARG  36  -2.015 -21.133   3.322
  260   2HD   ARG  36          2HD       ARG  36  -3.555 -21.031   4.194
  261    HE   ARG  36           HE       ARG  36  -4.194 -19.236   2.597
  262   1HH1  ARG  36          1HH2      ARG  36  -2.002 -21.776   1.521
  263   2HH1  ARG  36          2HH2      ARG  36  -2.164 -21.339  -0.147
  264   1HH2  ARG  36          1HH1      ARG  36  -4.541 -18.902   0.407
  265   2HH2  ARG  36          2HH1      ARG  36  -3.583 -19.743  -0.765
  266    H    GLY  37           H        GLY  37  -1.473 -15.405   5.146
  267   1HA   GLY  37          1HA       GLY  37  -3.649 -13.885   4.084
  268   2HA   GLY  37          2HA       GLY  37  -3.181 -13.220   5.658
  269    H    LYS  38           H        LYS  38  -2.999 -11.727   3.346
  270    HA   LYS  38           HA       LYS  38  -0.038 -11.441   2.923
  271   1HB   LYS  38          1HB       LYS  38  -2.417 -10.797   1.146
  272   2HB   LYS  38          2HB       LYS  38  -0.761 -10.273   0.796
  273   1HG   LYS  38          1HG       LYS  38  -0.036 -12.576   0.580
  274   2HG   LYS  38          2HG       LYS  38  -1.644 -13.155   1.047
  275   1HD   LYS  38          1HD       LYS  38  -2.644 -12.311  -0.934
  276   2HD   LYS  38          2HD       LYS  38  -1.236 -11.301  -1.309
  277   1HE   LYS  38           HE1      LYS  38  -1.223 -14.332  -1.325
  278   2HE   LYS  38           HE2      LYS  38  -1.438 -13.321  -2.765
  279   1HZ   LYS  38          3HZ       LYS  38   0.689 -12.320  -2.335
  280   2HZ   LYS  38          1HZ       LYS  38   0.896 -13.289  -0.956
  281   3HZ   LYS  38          2HZ       LYS  38   0.834 -14.005  -2.494
  282    H    VAL  39           H        VAL  39   0.457 -10.142   4.581
  283    HA   VAL  39           HA       VAL  39  -0.959  -7.775   5.379
  284    HB   VAL  39           HB       VAL  39   1.987  -8.199   5.808
  285   1HG1  VAL  39          1HG1      VAL  39  -0.215  -6.790   7.389
  286   2HG1  VAL  39          2HG1      VAL  39   1.489  -6.876   7.868
  287   3HG1  VAL  39          3HG1      VAL  39   1.020  -5.984   6.410
  288   1HG2  VAL  39          1HG2      VAL  39   0.855 -10.234   6.630
  289   2HG2  VAL  39          2HG2      VAL  39   1.458  -9.244   7.971
  290   3HG2  VAL  39          3HG2      VAL  39  -0.266  -9.231   7.565
  291    H    VAL  40           H        VAL  40  -1.404  -6.616   3.650
  292    HA   VAL  40           HA       VAL  40   0.831  -5.014   2.503
  293    HB   VAL  40           HB       VAL  40  -1.909  -5.167   1.238
  294   1HG1  VAL  40          3HG1      VAL  40  -0.412  -3.328   0.567
  295   2HG1  VAL  40          1HG1      VAL  40   0.851  -4.503   0.164
  296   3HG1  VAL  40          2HG1      VAL  40  -0.658  -4.469  -0.765
  297   1HG2  VAL  40          3HG2      VAL  40   0.470  -6.887   0.500
  298   2HG2  VAL  40          1HG2      VAL  40  -1.043  -7.469   1.212
  299   3HG2  VAL  40          2HG2      VAL  40  -1.045  -6.751  -0.407
  300    H    GLU  41           H        GLU  41   0.980  -3.411   3.782
  301    HA   GLU  41           HA       GLU  41  -1.306  -1.822   4.767
  302   1HB   GLU  41          1HB       GLU  41   0.579  -2.259   6.271
  303   2HB   GLU  41          2HB       GLU  41   1.699  -1.548   5.097
  304   1HG   GLU  41          1HG       GLU  41   1.237  -0.019   6.958
  305   2HG   GLU  41          2HG       GLU  41   0.682   0.643   5.411
  306    H    LEU  42           H        LEU  42  -2.117  -0.256   3.536
  307    HA   LEU  42           HA       LEU  42  -0.291   0.961   1.502
  308   1HB   LEU  42          1HB       LEU  42  -3.318   0.767   1.308
  309   2HB   LEU  42          2HB       LEU  42  -2.230   1.487   0.110
  310    HG   LEU  42           HG       LEU  42  -2.345  -1.446   0.899
  311   1HD1  LEU  42          1HD1      LEU  42  -3.055  -0.033  -1.700
  312   2HD1  LEU  42          2HD1      LEU  42  -3.088  -1.784  -1.434
  313   3HD1  LEU  42          3HD1      LEU  42  -4.214  -0.733  -0.557
  314   1HD2  LEU  42          3HD2      LEU  42  -0.655  -0.079  -1.211
  315   2HD2  LEU  42          1HD2      LEU  42  -0.053  -0.779   0.301
  316   3HD2  LEU  42          2HD2      LEU  42  -0.769  -1.825  -0.936
  317    H    GLY  43           H        GLY  43   0.790   2.052   2.518
  318   1HA   GLY  43          1HA       GLY  43  -0.319   4.379   3.965
  319   2HA   GLY  43          2HA       GLY  43   1.307   3.701   4.150
  320    H    CYS  44           H        CYS  44  -0.394   6.243   3.057
  321    HA   CYS  44           HA       CYS  44   1.033   7.019   0.652
  322   1HB   CYS  44          1HB       CYS  44  -0.538   8.672   2.568
  323   2HB   CYS  44          2HB       CYS  44   0.173   9.249   1.050
  324    H    ALA  45           H        ALA  45   3.039   7.603   0.497
  325    HA   ALA  45           HA       ALA  45   4.614   7.747   3.019
  326   1HB   ALA  45          3HB       ALA  45   4.603   5.574   1.899
  327   2HB   ALA  45          1HB       ALA  45   5.107   6.329   0.377
  328   3HB   ALA  45          2HB       ALA  45   6.213   6.302   1.761
  329    H    ALA  46           H        ALA  46   6.587   8.800   3.080
  330    HA   ALA  46           HA       ALA  46   6.949  11.065   1.266
  331   1HB   ALA  46          1HB       ALA  46   8.482  10.247   3.707
  332   2HB   ALA  46          2HB       ALA  46   8.735  11.734   2.777
  333   3HB   ALA  46          3HB       ALA  46   7.187  11.451   3.591
  334    H    THR  47           H        THR  47   9.007   8.289   2.190
  335    HA   THR  47           HA       THR  47  10.243   8.215  -0.464
  336    HB   THR  47           HB       THR  47  12.205   8.226   1.802
  337    HG1  THR  47           HG1      THR  47  12.563  10.475   1.385
  338   1HG2  THR  47          3HG2      THR  47  12.900   7.464  -0.455
  339   2HG2  THR  47          1HG2      THR  47  12.371   9.010  -1.139
  340   3HG2  THR  47          2HG2      THR  47  13.731   8.963  -0.006
  341    H    CYS  48           H        CYS  48  10.984   6.185  -0.926
  342    HA   CYS  48           HA       CYS  48  10.977   4.077   1.203
  343   1HB   CYS  48          1HB       CYS  48  11.024   2.479  -0.663
  344   2HB   CYS  48          2HB       CYS  48   9.562   3.477  -0.588
  345    HA   PRO  49           HA       PRO  49  15.417   4.909   0.603
  346   1HB   PRO  49          1HB       PRO  49  16.263   4.154   3.094
  347   2HB   PRO  49          2HB       PRO  49  15.525   5.737   2.795
  348   1HG   PRO  49          1HG       PRO  49  14.225   3.216   3.870
  349   2HG   PRO  49          2HG       PRO  49  14.086   4.876   4.474
  350   1HD   PRO  49          2HD       PRO  49  12.186   3.787   2.835
  351   2HD   PRO  49          1HD       PRO  49  12.593   5.509   2.766
  352    H    SER  50           H        SER  50  17.234   3.588   0.388
  353    HA   SER  50           HA       SER  50  16.897   0.809  -0.241
  354   1HB   SER  50          1HB       SER  50  19.439   0.831  -0.172
  355   2HB   SER  50          2HB       SER  50  18.719   2.064  -1.221
  356    HG   SER  50           HG       SER  50  20.337   2.953   0.210
  357    H    LYS  51           H        LYS  51  17.937   2.432   2.598
  358    HA   LYS  51           HA       LYS  51  18.276  -0.073   4.162
  359   1HB   LYS  51          1HB       LYS  51  18.784   2.808   4.973
  360   2HB   LYS  51          2HB       LYS  51  19.297   1.349   5.838
  361   1HG   LYS  51          1HG       LYS  51  20.978   0.867   4.301
  362   2HG   LYS  51          2HG       LYS  51  20.194   1.779   3.000
  363   1HD   LYS  51          1HD       LYS  51  20.624   3.851   4.547
  364   2HD   LYS  51          2HD       LYS  51  21.823   2.801   5.322
  365   1HE   LYS  51           HE1      LYS  51  22.874   2.392   3.104
  366   2HE   LYS  51           HE2      LYS  51  21.696   3.483   2.356
  367   1HZ   LYS  51          3HZ       LYS  51  22.487   5.250   3.776
  368   2HZ   LYS  51          1HZ       LYS  51  23.617   4.204   4.493
  369   3HZ   LYS  51          2HZ       LYS  51  23.759   4.610   2.851
  370    H    LYS  52           H        LYS  52  16.175  -0.646   4.132
  371    HA   LYS  52           HA       LYS  52  14.261   0.927   5.807
  372   1HB   LYS  52          1HB       LYS  52  12.458   0.041   4.348
  373   2HB   LYS  52          2HB       LYS  52  13.590   1.079   3.463
  374   1HG   LYS  52          1HG       LYS  52  14.490  -0.709   2.264
  375   2HG   LYS  52          2HG       LYS  52  13.904  -1.912   3.426
  376   1HD   LYS  52          1HD       LYS  52  12.565  -2.139   1.492
  377   2HD   LYS  52          2HD       LYS  52  11.568  -1.325   2.708
  378   1HE   LYS  52           HE1      LYS  52  11.043  -0.179   0.762
  379   2HE   LYS  52           HE2      LYS  52  12.284   0.854   1.494
  380   1HZ   LYS  52          1HZ       LYS  52  12.729  -1.153  -0.632
  381   2HZ   LYS  52          2HZ       LYS  52  12.666   0.531  -0.845
  382   3HZ   LYS  52          3HZ       LYS  52  13.918  -0.163   0.068
  383    HA   PRO  53           HA       PRO  53  13.358  -3.094   7.847
  384   1HB   PRO  53          1HB       PRO  53  10.507  -2.057   7.538
  385   2HB   PRO  53          2HB       PRO  53  11.229  -2.875   8.934
  386   1HG   PRO  53          1HG       PRO  53  10.951  -0.214   9.000
  387   2HG   PRO  53          2HG       PRO  53  12.461  -0.931   9.586
  388   1HD   PRO  53          2HD       PRO  53  11.914   0.463   6.959
  389   2HD   PRO  53          1HD       PRO  53  13.370   0.516   7.966
  390    OH   TYR  54           OH       TYR  54  18.425  -2.394   3.640
  391    H    TYR  54           H        TYR  54  13.575  -4.730   6.448
  392    HA   TYR  54           HA       TYR  54  13.160  -4.301   3.660
  393   1HB   TYR  54          1HB       TYR  54  14.261  -6.599   5.114
  394   2HB   TYR  54          2HB       TYR  54  13.964  -6.626   3.368
  395    HD1  TYR  54           HD2      TYR  54  15.013  -4.843   1.884
  396    HD2  TYR  54           HD1      TYR  54  16.111  -5.449   6.039
  397    HE1  TYR  54           HE2      TYR  54  16.869  -3.170   1.640
  398    HE2  TYR  54           HE1      TYR  54  17.978  -3.791   5.778
  399    HH   TYR  54           HH       TYR  54  18.450  -2.036   2.738
  400    H    GLU  55           H        GLU  55  11.087  -3.955   3.319
  401    HA   GLU  55           HA       GLU  55   9.371  -6.366   2.939
  402   1HB   GLU  55          1HB       GLU  55   8.509  -3.497   3.468
  403   2HB   GLU  55          2HB       GLU  55   7.428  -4.870   3.175
  404   1HG   GLU  55          1HG       GLU  55   8.197  -5.951   5.205
  405   2HG   GLU  55          2HG       GLU  55   9.369  -4.653   5.482
  406    H    GLU  56           H        GLU  56   8.129  -6.347   1.058
  407    HA   GLU  56           HA       GLU  56   9.392  -5.122  -1.288
  408   1HB   GLU  56          1HB       GLU  56   7.071  -7.044  -0.875
  409   2HB   GLU  56          2HB       GLU  56   7.568  -6.463  -2.473
  410   1HG   GLU  56          1HG       GLU  56   9.773  -7.407  -2.213
  411   2HG   GLU  56          2HG       GLU  56   9.466  -7.790  -0.510
  412    H    VAL  57           H        VAL  57   9.181  -3.151  -1.324
  413    HA   VAL  57           HA       VAL  57   6.526  -1.827  -1.039
  414    HB   VAL  57           HB       VAL  57   9.271  -0.805  -0.486
  415   1HG1  VAL  57          3HG1      VAL  57   7.961   1.028  -1.494
  416   2HG1  VAL  57          1HG1      VAL  57   6.641   0.710  -0.355
  417   3HG1  VAL  57          2HG1      VAL  57   8.205   1.288   0.242
  418   1HG2  VAL  57          3HG2      VAL  57   6.827  -1.247   1.243
  419   2HG2  VAL  57          1HG2      VAL  57   8.310  -2.218   1.248
  420   3HG2  VAL  57          2HG2      VAL  57   8.356  -0.528   1.779
  421    H    THR  58           H        THR  58   5.633  -1.626  -2.947
  422    HA   THR  58           HA       THR  58   7.126  -0.496  -5.229
  423    HB   THR  58           HB       THR  58   4.149  -0.879  -5.253
  424    HG1  THR  58           HG1      THR  58   4.605  -3.066  -5.920
  425   1HG2  THR  58          3HG2      THR  58   5.236   0.213  -7.171
  426   2HG2  THR  58          1HG2      THR  58   6.308  -1.186  -7.361
  427   3HG2  THR  58          2HG2      THR  58   4.565  -1.364  -7.620
  428    H    CYS  59           H        CYS  59   7.719   1.272  -4.503
  429    HA   CYS  59           HA       CYS  59   5.939   3.342  -3.391
  430   1HB   CYS  59          1HB       CYS  59   8.128   4.525  -3.045
  431   2HB   CYS  59          2HB       CYS  59   7.766   3.102  -2.055
  432    H    CYS  60           H        CYS  60   4.863   3.893  -5.037
  433    HA   CYS  60           HA       CYS  60   6.056   4.832  -7.601
  434   1HB   CYS  60          1HB       CYS  60   4.297   2.953  -7.425
  435   2HB   CYS  60          2HB       CYS  60   3.154   4.235  -6.990
  436    H    SER  61           H        SER  61   4.847   6.654  -8.634
  437    HA   SER  61           HA       SER  61   4.699   8.901  -6.733
  438   1HB   SER  61          1HB       SER  61   4.415  10.237  -8.863
  439   2HB   SER  61          2HB       SER  61   5.914   9.293  -8.789
  440    HG   SER  61           HG       SER  61   4.799   9.029 -10.816
  441    H    THR  62           H        THR  62   2.472   8.116  -9.331
  442    HA   THR  62           HA       THR  62   0.127   8.082  -7.639
  443    HB   THR  62           HB       THR  62   0.510  10.391  -7.461
  444    HG1  THR  62           HG1      THR  62  -1.596  10.982  -8.062
  445   1HG2  THR  62          1HG2      THR  62   0.085  10.542 -10.463
  446   2HG2  THR  62          2HG2      THR  62   0.153  11.920  -9.351
  447   3HG2  THR  62          3HG2      THR  62   1.593  10.920  -9.612
  448    H    ASP  63           H        ASP  63  -1.859   8.249  -9.049
  449    HA   ASP  63           HA       ASP  63  -3.282   7.601 -10.696
  450   1HB   ASP  63          1HB       ASP  63  -0.978   7.789 -12.499
  451   2HB   ASP  63          2HB       ASP  63  -2.616   7.326 -12.991
  452    H    LYS  64           H        LYS  64  -3.511   5.905  -9.308
  453    HA   LYS  64           HA       LYS  64  -3.946   3.770  -8.666
  454   1HB   LYS  64          1HB       LYS  64  -3.826   3.220 -11.520
  455   2HB   LYS  64          2HB       LYS  64  -4.200   2.014 -10.277
  456   1HG   LYS  64          1HG       LYS  64  -5.968   3.544  -9.396
  457   2HG   LYS  64          2HG       LYS  64  -5.641   4.642 -10.748
  458   1HD   LYS  64          1HD       LYS  64  -6.166   2.815 -12.334
  459   2HD   LYS  64          2HD       LYS  64  -6.542   1.754 -10.966
  460   1HE   LYS  64           HE1      LYS  64  -8.356   3.313 -10.285
  461   2HE   LYS  64           HE2      LYS  64  -8.002   4.316 -11.702
  462   1HZ   LYS  64          3HZ       LYS  64  -8.441   2.423 -13.108
  463   2HZ   LYS  64          1HZ       LYS  64  -8.781   1.462 -11.750
  464   3HZ   LYS  64          2HZ       LYS  64  -9.788   2.773 -12.134
  465    H    CYS  65           H        CYS  65  -1.599   2.858 -11.117
  466    HA   CYS  65           HA       CYS  65   0.434   1.908 -11.173
  467   1HB   CYS  65          1HB       CYS  65   0.899   4.081 -10.280
  468   2HB   CYS  65          2HB       CYS  65   0.939   3.385  -8.651
  469    H    ASN  66           H        ASN  66  -0.446   1.505  -7.698
  470    HA   ASN  66           HA       ASN  66   1.219  -0.989  -7.610
  471   1HB   ASN  66          1HB       ASN  66   2.186  -0.087  -5.547
  472   2HB   ASN  66          2HB       ASN  66   2.428   1.063  -6.872
  473   1HD2  ASN  66          2HD2      ASN  66   1.259   2.751  -3.670
  474   2HD2  ASN  66          1HD2      ASN  66   2.483   1.568  -3.993
  475    HA   PRO  67           HA       PRO  67  -2.644  -2.009  -5.437
  476   1HB   PRO  67          1HB       PRO  67  -3.287  -4.327  -6.709
  477   2HB   PRO  67          2HB       PRO  67  -3.584  -2.765  -7.490
  478   1HG   PRO  67          1HG       PRO  67  -1.242  -4.665  -7.888
  479   2HG   PRO  67          2HG       PRO  67  -2.211  -3.839  -9.119
  480   1HD   PRO  67          2HD       PRO  67   0.210  -2.863  -8.268
  481   2HD   PRO  67          1HD       PRO  67  -1.098  -1.800  -8.812
  482    H    HIS  68           H        HIS  68  -3.112  -3.171  -3.819
  483    HA   HIS  68           HA       HIS  68  -1.871  -4.354  -1.914
  484   1HB   HIS  68          1HB       HIS  68  -3.987  -4.260  -1.627
  485   2HB   HIS  68          2HB       HIS  68  -4.382  -5.148  -3.107
  486    HD2  HIS  68           HD2      HIS  68  -4.480  -5.661   0.535
  487    HE1  HIS  68           HE1      HIS  68  -2.964  -9.389  -0.746
  488    HE2  HIS  68           HE2      HIS  68  -3.677  -7.965   1.262
  489    HA   PRO  69           HA       PRO  69  -1.358  -8.916  -3.105
  490   1HB   PRO  69          1HB       PRO  69  -1.626  -9.864  -5.633
  491   2HB   PRO  69          2HB       PRO  69  -3.062  -9.476  -4.670
  492   1HG   PRO  69          1HG       PRO  69  -1.672  -7.734  -6.756
  493   2HG   PRO  69          2HG       PRO  69  -3.392  -8.144  -6.645
  494   1HD   PRO  69          2HD       PRO  69  -2.461  -5.824  -5.581
  495   2HD   PRO  69          1HD       PRO  69  -3.737  -6.741  -4.763
  496    H    LYS  70           H        LYS  70   0.092 -10.493  -4.271
  497    HA   LYS  70           HA       LYS  70   2.732  -9.348  -4.545
  498   1HB   LYS  70          1HB       LYS  70   1.530 -12.073  -4.726
  499   2HB   LYS  70          2HB       LYS  70   3.071 -11.809  -5.559
  500   1HG   LYS  70          1HG       LYS  70   2.605 -10.963  -2.692
  501   2HG   LYS  70          2HG       LYS  70   3.226 -12.564  -3.123
  502   1HD   LYS  70          1HD       LYS  70   5.090 -11.512  -4.357
  503   2HD   LYS  70          2HD       LYS  70   4.469  -9.908  -3.932
  504   1HE   LYS  70           HE1      LYS  70   5.489 -11.979  -1.971
  505   2HE   LYS  70           HE2      LYS  70   6.380 -10.552  -2.525
  506   1HZ   LYS  70          1HZ       LYS  70   3.801 -10.531  -1.072
  507   2HZ   LYS  70          2HZ       LYS  70   5.323 -10.169  -0.410
  508   3HZ   LYS  70          3HZ       LYS  70   4.656  -9.163  -1.604
  509    H    GLN  71           H        GLN  71   3.107  -7.967  -5.920
  510    HA   GLN  71           HA       GLN  71   2.252  -7.922  -8.658
  511   1HB   GLN  71          1HB       GLN  71   4.393  -6.443  -7.206
  512   2HB   GLN  71          2HB       GLN  71   4.070  -6.236  -8.935
  513   1HG   GLN  71          1HG       GLN  71   1.609  -5.872  -8.251
  514   2HG   GLN  71          2HG       GLN  71   2.221  -5.692  -6.599
  515   1HE2  GLN  71          2HE2      GLN  71   2.831  -2.772  -9.427
  516   2HE2  GLN  71          1HE2      GLN  71   2.255  -4.346  -9.860
  517    NH1  ARG  72           NH2      ARG  72   0.977 -15.826  -6.344
  518    NH2  ARG  72           NH1      ARG  72   2.775 -17.066  -6.957
  519    H    ARG  72           H        ARG  72   2.601 -10.085  -9.176
  520    HA   ARG  72           HA       ARG  72   5.381 -11.058  -9.558
  521   1HB   ARG  72          1HB       ARG  72   4.509 -13.270  -9.484
  522   2HB   ARG  72          2HB       ARG  72   4.137 -12.336  -8.026
  523   1HG   ARG  72          1HG       ARG  72   1.855 -11.925  -9.307
  524   2HG   ARG  72          2HG       ARG  72   2.316 -13.434 -10.114
  525   1HD   ARG  72          1HD       ARG  72   2.097 -13.067  -7.120
  526   2HD   ARG  72          2HD       ARG  72   0.838 -13.770  -8.150
  527    HE   ARG  72           HE       ARG  72   3.302 -15.177  -8.458
  528   1HH1  ARG  72          1HH2      ARG  72   0.375 -15.039  -6.476
  529   2HH1  ARG  72          2HH2      ARG  72   0.717 -16.554  -5.709
  530   1HH2  ARG  72          1HH1      ARG  72   3.557 -17.233  -7.557
  531   2HH2  ARG  72          2HH1      ARG  72   2.479 -17.771  -6.313
  532    HA   PRO  73           HA       PRO  73   4.825 -10.658 -13.978
  533   1HB   PRO  73          1HB       PRO  73   7.203 -12.536 -13.925
  534   2HB   PRO  73          2HB       PRO  73   7.005 -11.035 -14.845
  535   1HG   PRO  73          1HG       PRO  73   8.546 -11.023 -12.642
  536   2HG   PRO  73          2HG       PRO  73   7.448  -9.663 -12.932
  537   1HD   PRO  73          2HD       PRO  73   7.072 -12.044 -11.084
  538   2HD   PRO  73          1HD       PRO  73   6.708 -10.337 -10.779
  539    H    GLY  74           H        GLY  74   3.804 -11.863 -15.452
  540   1HA   GLY  74          1HA       GLY  74   2.536 -14.320 -14.694
  541   2HA   GLY  74          2HA       GLY  74   2.448 -13.539 -16.282
  542   1H    LYS  75          1H        LYS  75  -2.742   8.350   7.997
  543   2H    LYS  75          2H        LYS  75  -2.536   8.229   9.678
  544   3H    LYS  75          3H        LYS  75  -1.924   7.016   8.659
  545    HA   LYS  75           HA       LYS  75  -3.931   6.284   9.754
  546   1HB   LYS  75          1HB       LYS  75  -4.774   8.550  10.109
  547   2HB   LYS  75          2HB       LYS  75  -5.289   8.589   8.414
  548   1HG   LYS  75          1HG       LYS  75  -6.764   6.673   8.790
  549   2HG   LYS  75          2HG       LYS  75  -6.204   6.545  10.466
  550   1HD   LYS  75          1HD       LYS  75  -7.143   8.731  10.989
  551   2HD   LYS  75          2HD       LYS  75  -7.610   8.967   9.296
  552   1HE   LYS  75           HE1      LYS  75  -9.559   8.297  10.571
  553   2HE   LYS  75           HE2      LYS  75  -9.103   6.982   9.473
  554   1HZ   LYS  75          3HZ       LYS  75  -8.013   5.885  11.299
  555   2HZ   LYS  75          1HZ       LYS  75  -8.451   7.145  12.351
  556   3HZ   LYS  75          2HZ       LYS  75  -9.650   6.169  11.651
  557    H    HIS  76           H        HIS  76  -3.544   4.560   8.602
  558    HA   HIS  76           HA       HIS  76  -4.648   4.217   5.879
  559   1HB   HIS  76          1HB       HIS  76  -1.767   3.598   6.592
  560   2HB   HIS  76          2HB       HIS  76  -2.560   3.261   5.044
  561    HD2  HIS  76           HD2      HIS  76  -3.088   5.424   3.457
  562    HE1  HIS  76           HE1      HIS  76  -0.817   8.245   5.626
  563    HE2  HIS  76           HE2      HIS  76  -2.183   7.823   3.514
  564    CH2  TRP  77           CH2      TRP  77  -9.181   4.094   8.936
  565    H    TRP  77           H        TRP  77  -4.913   2.101   5.268
  566    HA   TRP  77           HA       TRP  77  -5.217   0.233   7.563
  567   1HB   TRP  77          1HB       TRP  77  -6.863   0.885   5.187
  568   2HB   TRP  77          2HB       TRP  77  -6.887  -0.790   5.764
  569    HD1  TRP  77           HD1      TRP  77  -8.261  -1.329   7.776
  570    HE1  TRP  77           HE1      TRP  77  -9.600  -0.078   9.528
  571    HE3  TRP  77           HE3      TRP  77  -7.077   3.382   6.323
  572    HZ2  TRP  77           HZ2      TRP  77 -10.127   2.616  10.222
  573    HZ3  TRP  77           HZ3      TRP  77  -8.088   5.317   7.528
  574    HH2  TRP  77           HH2      TRP  77  -9.627   4.943   9.443
  575    H    VAL  78           H        VAL  78  -4.353  -1.619   7.646
  576    HA   VAL  78           HA       VAL  78  -3.017  -3.012   5.489
  577    HB   VAL  78           HB       VAL  78  -3.200  -5.038   6.934
  578   1HG1  VAL  78          3HG1      VAL  78  -1.148  -3.675   6.792
  579   2HG1  VAL  78          1HG1      VAL  78  -1.779  -2.594   8.047
  580   3HG1  VAL  78          2HG1      VAL  78  -1.404  -4.280   8.438
  581   1HG2  VAL  78          3HG2      VAL  78  -4.227  -3.161   9.004
  582   2HG2  VAL  78          1HG2      VAL  78  -5.049  -4.561   8.297
  583   3HG2  VAL  78          2HG2      VAL  78  -3.594  -4.793   9.280
  584    OH   TYR  79           OH       TYR  79 -10.833  -1.826   3.159
  585    H    TYR  79           H        TYR  79  -3.807  -4.117   3.973
  586    HA   TYR  79           HA       TYR  79  -6.353  -5.639   4.277
  587   1HB   TYR  79          1HB       TYR  79  -5.290  -4.067   1.950
  588   2HB   TYR  79          2HB       TYR  79  -6.236  -5.533   1.642
  589    HD1  TYR  79           HD1      TYR  79  -8.597  -5.711   2.333
  590    HD2  TYR  79           HD2      TYR  79  -6.300  -2.078   2.912
  591    HE1  TYR  79           HE1      TYR  79 -10.723  -4.411   2.653
  592    HE2  TYR  79           HE2      TYR  79  -8.426  -0.777   3.232
  593    HH   TYR  79           HH       TYR  79 -10.615  -0.894   3.318
  594    OH   TYR  80           OH       TYR  80  -2.320  -8.718   9.368
  595    H    TYR  80           H        TYR  80  -6.445  -7.646   3.512
  596    HA   TYR  80           HA       TYR  80  -3.791  -8.986   3.318
  597   1HB   TYR  80          1HB       TYR  80  -6.195  -9.708   4.886
  598   2HB   TYR  80          2HB       TYR  80  -5.003 -10.929   4.409
  599    HD1  TYR  80           HD2      TYR  80  -5.307  -7.587   6.131
  600    HD2  TYR  80           HD1      TYR  80  -3.053 -11.257   5.671
  601    HE1  TYR  80           HE2      TYR  80  -4.158  -7.145   8.311
  602    HE2  TYR  80           HE1      TYR  80  -1.916 -10.834   7.859
  603    HH   TYR  80           HH       TYR  80  -2.647  -7.886   9.747
   
  Start of MODEL           2
 Raw file had 603 H/Q atoms
  Start of MODEL    2
    1   1H    ILE   1          3H        ILE   1  -3.213  12.819  -4.361
    2   2H    ILE   1          1H        ILE   1  -2.165  11.946  -3.348
    3   3H    ILE   1          2H        ILE   1  -1.545  13.145  -4.380
    4    HA   ILE   1           HA       ILE   1  -2.171  11.881  -6.308
    5    HB   ILE   1           HB       ILE   1   0.027  11.835  -5.453
    6   1HG1  ILE   1          1HG1      ILE   1   0.792   9.787  -6.535
    7   2HG1  ILE   1          2HG1      ILE   1  -0.906   9.327  -6.745
    8   1HG2  ILE   1          1HG2      ILE   1  -0.746   9.258  -4.046
    9   2HG2  ILE   1          2HG2      ILE   1   0.899   9.891  -4.230
   10   3HG2  ILE   1          3HG2      ILE   1  -0.285  10.773  -3.251
   11   1HD1  ILE   1          3HD1      ILE   1  -1.311  11.396  -8.020
   12   2HD1  ILE   1          1HD1      ILE   1   0.388  11.857  -7.811
   13   3HD1  ILE   1          2HD1      ILE   1  -0.031  10.423  -8.764
   14    H    VAL   2           H        VAL   2  -3.275  10.341  -7.311
   15    HA   VAL   2           HA       VAL   2  -5.489   9.146  -5.811
   16    HB   VAL   2           HB       VAL   2  -5.031   9.298  -8.770
   17   1HG1  VAL   2          1HG1      VAL   2  -7.511   8.539  -7.227
   18   2HG1  VAL   2          2HG1      VAL   2  -7.408   8.808  -8.975
   19   3HG1  VAL   2          3HG1      VAL   2  -6.529   7.460  -8.233
   20   1HG2  VAL   2          3HG2      VAL   2  -6.787  10.936  -6.908
   21   2HG2  VAL   2          1HG2      VAL   2  -5.322  11.514  -7.719
   22   3HG2  VAL   2          2HG2      VAL   2  -6.745  11.067  -8.675
   23    H    CYS   3           H        CYS   3  -4.471   7.530  -4.674
   24    HA   CYS   3           HA       CYS   3  -4.191   4.902  -5.807
   25   1HB   CYS   3          1HB       CYS   3  -1.777   4.663  -5.086
   26   2HB   CYS   3          2HB       CYS   3  -2.260   5.171  -6.714
   27    H    HIS   4           H        HIS   4  -1.946   5.107  -3.353
   28    HA   HIS   4           HA       HIS   4  -3.866   3.723  -1.643
   29   1HB   HIS   4          1HB       HIS   4  -0.915   3.905  -1.639
   30   2HB   HIS   4          2HB       HIS   4  -1.850   3.100  -0.367
   31    HD2  HIS   4           HD2      HIS   4  -0.894   2.687  -4.084
   32    HE1  HIS   4           HE1      HIS   4  -3.609  -0.427  -3.273
   33    HE2  HIS   4           HE2      HIS   4  -2.135   0.678  -5.023
   34    H    THR   5           H        THR   5  -5.071   5.745  -1.234
   35    HA   THR   5           HA       THR   5  -4.044   7.016   1.232
   36    HB   THR   5           HB       THR   5  -5.351   8.542  -0.428
   37    HG1  THR   5           HG1      THR   5  -6.075   9.609   1.524
   38   1HG2  THR   5          1HG2      THR   5  -7.682   7.298   0.999
   39   2HG2  THR   5          2HG2      THR   5  -7.696   8.765   0.005
   40   3HG2  THR   5          3HG2      THR   5  -7.345   7.195  -0.738
   41    H    THR   6           H        THR   6  -6.506   4.963   0.170
   42    HA   THR   6           HA       THR   6  -7.328   3.021   0.968
   43    HB   THR   6           HB       THR   6  -5.848   1.762   2.523
   44    HG1  THR   6           HG1      THR   6  -3.692   2.636   2.447
   45   1HG2  THR   6          1HG2      THR   6  -5.047   2.579  -0.238
   46   2HG2  THR   6          2HG2      THR   6  -4.449   1.173   0.660
   47   3HG2  THR   6          3HG2      THR   6  -6.163   1.283   0.224
   48    H    ALA   7           H        ALA   7  -6.005   4.015   4.054
   49    HA   ALA   7           HA       ALA   7  -7.046   3.186   6.096
   50   1HB   ALA   7          3HB       ALA   7  -5.981   5.239   6.197
   51   2HB   ALA   7          1HB       ALA   7  -7.404   6.086   5.567
   52   3HB   ALA   7          2HB       ALA   7  -7.468   5.309   7.159
   53    H    THR   8           H        THR   8  -9.439   5.567   4.985
   54    HA   THR   8           HA       THR   8 -11.520   4.290   6.626
   55    HB   THR   8           HB       THR   8 -10.987   6.791   6.576
   56    HG1  THR   8           HG1      THR   8 -13.224   7.387   6.480
   57   1HG2  THR   8          1HG2      THR   8 -12.086   6.757   3.812
   58   2HG2  THR   8          2HG2      THR   8 -11.750   8.186   4.803
   59   3HG2  THR   8          3HG2      THR   8 -10.426   7.114   4.317
   60    H    SER   9           H        SER   9 -10.814   2.678   4.631
   61    HA   SER   9           HA       SER   9 -13.311   1.751   3.596
   62   1HB   SER   9          1HB       SER   9 -12.788   3.621   1.967
   63   2HB   SER   9          2HB       SER   9 -11.270   2.795   1.574
   64    HG   SER   9           HG       SER   9 -12.989   2.234   0.109
   65    HA   PRO  10           HA       PRO  10 -10.512  -1.841   2.917
   66   1HB   PRO  10          1HB       PRO  10 -12.233  -3.349   1.350
   67   2HB   PRO  10          2HB       PRO  10 -12.246  -3.380   3.122
   68   1HG   PRO  10          1HG       PRO  10 -14.017  -1.801   1.238
   69   2HG   PRO  10          2HG       PRO  10 -14.469  -2.688   2.704
   70   1HD   PRO  10          2HD       PRO  10 -14.156   0.008   2.771
   71   2HD   PRO  10          1HD       PRO  10 -13.637  -0.988   4.141
   72    H    ILE  11           H        ILE  11  -9.260  -0.446   1.925
   73    HA   ILE  11           HA       ILE  11  -7.981   0.579   0.330
   74    HB   ILE  11           HB       ILE  11  -9.163  -1.006  -1.866
   75   1HG1  ILE  11          1HG1      ILE  11  -6.712  -1.745  -0.278
   76   2HG1  ILE  11          2HG1      ILE  11  -8.310  -2.374   0.158
   77   1HG2  ILE  11          3HG2      ILE  11  -7.782   0.955  -2.438
   78   2HG2  ILE  11          1HG2      ILE  11  -6.500   0.381  -1.359
   79   3HG2  ILE  11          2HG2      ILE  11  -6.914  -0.544  -2.812
   80   1HD1  ILE  11          1HD1      ILE  11  -6.908  -2.785  -2.501
   81   2HD1  ILE  11          2HD1      ILE  11  -7.065  -3.987  -1.207
   82   3HD1  ILE  11          3HD1      ILE  11  -8.507  -3.414  -2.065
   83    H    SER  12           H        SER  12  -8.580   2.634   0.285
   84    HA   SER  12           HA       SER  12 -10.389   3.371  -1.978
   85   1HB   SER  12          1HB       SER  12 -10.477   5.637  -1.044
   86   2HB   SER  12          2HB       SER  12 -11.065   4.451   0.133
   87    HG   SER  12           HG       SER  12  -9.591   5.974   1.072
   88    H    ALA  13           H        ALA  13  -9.283   3.131  -3.629
   89    HA   ALA  13           HA       ALA  13  -6.496   3.859  -3.943
   90   1HB   ALA  13          3HB       ALA  13  -7.350   1.943  -5.045
   91   2HB   ALA  13          1HB       ALA  13  -8.531   2.924  -5.932
   92   3HB   ALA  13          2HB       ALA  13  -6.798   3.131  -6.237
   93    H    VAL  14           H        VAL  14  -7.440   6.072  -3.036
   94    HA   VAL  14           HA       VAL  14  -8.000   7.947  -5.287
   95    HB   VAL  14           HB       VAL  14  -9.424   9.261  -3.848
   96   1HG1  VAL  14          1HG1      VAL  14 -10.300   6.519  -4.637
   97   2HG1  VAL  14          2HG1      VAL  14 -11.366   7.886  -4.271
   98   3HG1  VAL  14          3HG1      VAL  14 -10.246   7.978  -5.641
   99   1HG2  VAL  14          3HG2      VAL  14  -9.547   6.788  -2.101
  100   2HG2  VAL  14          1HG2      VAL  14  -8.929   8.374  -1.610
  101   3HG2  VAL  14          2HG2      VAL  14 -10.640   8.179  -2.023
  102    H    THR  15           H        THR  15  -8.079  10.258  -3.989
  103    HA   THR  15           HA       THR  15  -5.404  11.173  -4.030
  104    HB   THR  15           HB       THR  15  -6.517  13.271  -2.957
  105    HG1  THR  15           HG1      THR  15  -8.848  13.124  -3.029
  106   1HG2  THR  15          1HG2      THR  15  -7.581  12.243  -5.560
  107   2HG2  THR  15          2HG2      THR  15  -7.644  13.915  -4.978
  108   3HG2  THR  15          3HG2      THR  15  -6.080  13.149  -5.304
  109    H    CYS  16           H        CYS  16  -3.921  10.552  -2.783
  110    HA   CYS  16           HA       CYS  16  -3.956  10.425   0.067
  111   1HB   CYS  16          1HB       CYS  16  -1.730  10.969  -1.903
  112   2HB   CYS  16          2HB       CYS  16  -1.476  10.764  -0.161
  113    HA   PRO  17           HA       PRO  17  -3.906  14.704   1.428
  114   1HB   PRO  17          1HB       PRO  17  -1.963  13.488   3.419
  115   2HB   PRO  17          2HB       PRO  17  -3.292  14.620   3.719
  116   1HG   PRO  17          1HG       PRO  17  -3.672  12.032   4.252
  117   2HG   PRO  17          2HG       PRO  17  -4.956  12.922   3.417
  118   1HD   PRO  17          2HD       PRO  17  -2.908  11.013   2.268
  119   2HD   PRO  17          1HD       PRO  17  -4.618  11.200   1.840
  120    HA   PRO  18           HA       PRO  18  -0.210  16.240  -0.560
  121   1HB   PRO  18          1HB       PRO  18  -0.965  18.755   0.906
  122   2HB   PRO  18          2HB       PRO  18  -0.577  18.531  -0.809
  123   1HG   PRO  18          1HG       PRO  18  -3.142  18.814  -0.087
  124   2HG   PRO  18          2HG       PRO  18  -2.722  17.583  -1.291
  125   1HD   PRO  18          2HD       PRO  18  -3.266  17.227   1.676
  126   2HD   PRO  18          1HD       PRO  18  -3.825  16.231   0.322
  127    H    GLY  19           H        GLY  19   1.467  15.382   0.197
  128   1HA   GLY  19          1HA       GLY  19   3.384  16.909   1.579
  129   2HA   GLY  19          2HA       GLY  19   2.779  15.682   2.706
  130    H    GLU  20           H        GLU  20   4.684  16.328  -0.068
  131    HA   GLU  20           HA       GLU  20   5.306  14.835  -1.920
  132   1HB   GLU  20          1HB       GLU  20   7.065  15.841  -0.354
  133   2HB   GLU  20          2HB       GLU  20   7.098  14.275   0.474
  134   1HG   GLU  20          1HG       GLU  20   8.975  14.545  -1.073
  135   2HG   GLU  20          2HG       GLU  20   7.925  13.194  -1.529
  136    H    ASN  21           H        ASN  21   3.285  13.814  -1.636
  137    HA   ASN  21           HA       ASN  21   3.319  11.068  -0.615
  138   1HB   ASN  21          1HB       ASN  21   0.911  11.194  -1.673
  139   2HB   ASN  21          2HB       ASN  21   1.265  12.051  -0.162
  140   1HD2  ASN  21          2HD2      ASN  21   0.545  14.204  -3.604
  141   2HD2  ASN  21          1HD2      ASN  21   1.017  12.540  -3.713
  142    H    LEU  22           H        LEU  22   4.681   9.933  -1.474
  143    HA   LEU  22           HA       LEU  22   3.729   8.599  -3.941
  144   1HB   LEU  22          1HB       LEU  22   5.480   7.030  -3.652
  145   2HB   LEU  22          2HB       LEU  22   5.939   8.713  -3.958
  146    HG   LEU  22           HG       LEU  22   6.426   8.896  -1.480
  147   1HD1  LEU  22          3HD1      LEU  22   5.252   6.878  -0.686
  148   2HD1  LEU  22          1HD1      LEU  22   6.347   5.865  -1.642
  149   3HD1  LEU  22          2HD1      LEU  22   6.979   6.818  -0.289
  150   1HD2  LEU  22          1HD2      LEU  22   8.135   8.663  -3.269
  151   2HD2  LEU  22          2HD2      LEU  22   8.638   7.775  -1.821
  152   3HD2  LEU  22          3HD2      LEU  22   7.964   6.901  -3.206
  153    H    CYS  23           H        CYS  23   2.957   6.754  -4.068
  154    HA   CYS  23           HA       CYS  23   1.518   5.467  -1.803
  155   1HB   CYS  23          1HB       CYS  23   1.247   5.432  -4.843
  156   2HB   CYS  23          2HB       CYS  23   0.282   4.408  -3.767
  157    OH   TYR  24           OH       TYR  24   3.650   3.131   4.567
  158    H    TYR  24           H        TYR  24   2.215   3.495  -1.166
  159    HA   TYR  24           HA       TYR  24   4.372   2.199  -2.763
  160   1HB   TYR  24          1HB       TYR  24   5.863   2.158  -0.856
  161   2HB   TYR  24          2HB       TYR  24   5.456   3.829  -1.286
  162    HD1  TYR  24           HD2      TYR  24   3.015   4.427   0.285
  163    HD2  TYR  24           HD1      TYR  24   6.573   2.157   1.252
  164    HE1  TYR  24           HE2      TYR  24   2.430   4.558   2.721
  165    HE2  TYR  24           HE1      TYR  24   6.016   2.331   3.700
  166    HH   TYR  24           HH       TYR  24   2.830   3.635   4.690
  167    NH1  ARG  25           NH2      ARG  25   2.781  -2.741  -5.814
  168    NH2  ARG  25           NH1      ARG  25   1.421  -3.109  -7.576
  169    H    ARG  25           H        ARG  25   2.665   0.939  -3.370
  170    HA   ARG  25           HA       ARG  25   1.789  -1.088  -1.438
  171   1HB   ARG  25          1HB       ARG  25   0.341  -0.124  -3.258
  172   2HB   ARG  25          2HB       ARG  25   1.349  -0.991  -4.428
  173   1HG   ARG  25          1HG       ARG  25  -0.129  -2.453  -2.267
  174   2HG   ARG  25          2HG       ARG  25  -0.937  -1.959  -3.765
  175   1HD   ARG  25          1HD       ARG  25   1.517  -3.707  -3.646
  176   2HD   ARG  25          2HD       ARG  25  -0.145  -4.315  -3.733
  177    HE   ARG  25           HE       ARG  25  -0.276  -3.686  -5.952
  178   1HH1  ARG  25          1HH2      ARG  25   2.973  -2.790  -4.834
  179   2HH1  ARG  25          2HH2      ARG  25   3.500  -2.465  -6.451
  180   1HH2  ARG  25          1HH1      ARG  25   0.560  -3.437  -7.962
  181   2HH2  ARG  25          2HH1      ARG  25   2.167  -2.831  -8.181
  182    H    LYS  26           H        LYS  26   2.524  -2.799  -0.889
  183    HA   LYS  26           HA       LYS  26   2.793  -4.889  -2.776
  184   1HB   LYS  26          1HB       LYS  26   5.239  -3.860  -2.650
  185   2HB   LYS  26          2HB       LYS  26   5.193  -5.538  -2.083
  186   1HG   LYS  26          1HG       LYS  26   3.757  -6.124  -4.031
  187   2HG   LYS  26          2HG       LYS  26   3.902  -4.456  -4.610
  188   1HD   LYS  26          1HD       LYS  26   6.351  -4.725  -4.776
  189   2HD   LYS  26          2HD       LYS  26   6.206  -6.393  -4.197
  190   1HE   LYS  26           HE1      LYS  26   6.374  -6.483  -6.598
  191   2HE   LYS  26           HE2      LYS  26   4.693  -6.847  -6.177
  192   1HZ   LYS  26          1HZ       LYS  26   5.742  -4.213  -7.006
  193   2HZ   LYS  26          2HZ       LYS  26   4.835  -5.275  -7.973
  194   3HZ   LYS  26          3HZ       LYS  26   4.130  -4.562  -6.602
  195    H    MET  27           H        MET  27   4.422  -6.629  -1.354
  196    HA   MET  27           HA       MET  27   2.590  -7.498   0.842
  197   1HB   MET  27          1HB       MET  27   3.908  -9.085  -1.377
  198   2HB   MET  27          2HB       MET  27   3.038  -9.801  -0.010
  199   1HG   MET  27          1HG       MET  27   1.605  -9.918  -1.869
  200   2HG   MET  27          2HG       MET  27   0.981  -8.634  -0.819
  201   1HE   MET  27          1HE       MET  27  -0.601  -8.025  -2.910
  202   2HE   MET  27          2HE       MET  27   0.016  -7.590  -4.513
  203   3HE   MET  27          3HE       MET  27   0.197  -9.248  -3.913
  204    CH2  TRP  28           CH2      TRP  28   2.198  -4.095   4.183
  205    H    TRP  28           H        TRP  28   3.538  -8.311   2.641
  206    HA   TRP  28           HA       TRP  28   6.300  -9.324   2.626
  207   1HB   TRP  28          1HB       TRP  28   7.220  -7.829   4.156
  208   2HB   TRP  28          2HB       TRP  28   6.619  -6.973   2.726
  209    HD1  TRP  28           HD1      TRP  28   6.396  -7.063   6.439
  210    HE1  TRP  28           HE1      TRP  28   4.491  -5.671   7.345
  211    HE3  TRP  28           HE3      TRP  28   4.468  -5.493   2.019
  212    HZ2  TRP  28           HZ2      TRP  28   2.269  -4.264   6.357
  213    HZ3  TRP  28           HZ3      TRP  28   2.408  -4.096   2.030
  214    HH2  TRP  28           HH2      TRP  28   1.295  -3.495   4.171
  215    H    CYS  29           H        CYS  29   6.714  -9.273   5.427
  216    HA   CYS  29           HA       CYS  29   4.505 -10.988   6.470
  217   1HB   CYS  29          1HB       CYS  29   7.449 -11.133   7.083
  218   2HB   CYS  29          2HB       CYS  29   6.184 -12.092   7.870
  219    H    ASP  30           H        ASP  30   3.377 -10.085   8.049
  220    HA   ASP  30           HA       ASP  30   4.900  -8.783  10.285
  221   1HB   ASP  30          1HB       ASP  30   2.045  -8.451   9.496
  222   2HB   ASP  30          2HB       ASP  30   2.624  -8.122  11.138
  223    H    ALA  31           H        ALA  31   5.600 -10.862  10.734
  224    HA   ALA  31           HA       ALA  31   5.814 -12.711  12.056
  225   1HB   ALA  31          1HB       ALA  31   3.158 -11.836  13.253
  226   2HB   ALA  31          2HB       ALA  31   4.250 -13.054  13.935
  227   3HB   ALA  31          3HB       ALA  31   4.761 -11.360  13.838
  228    H    PHE  32           H        PHE  32   2.546 -12.735  10.880
  229    HA   PHE  32           HA       PHE  32   2.046 -15.500  11.088
  230   1HB   PHE  32          1HB       PHE  32   1.049 -13.383   9.155
  231   2HB   PHE  32          2HB       PHE  32   0.394 -15.028   9.213
  232    HD1  PHE  32           HD1      PHE  32  -0.689 -15.845  11.393
  233    HD2  PHE  32           HD2      PHE  32   0.280 -11.695  10.622
  234    HE1  PHE  32           HE1      PHE  32  -2.524 -15.129  12.938
  235    HE2  PHE  32           HE2      PHE  32  -1.556 -10.978  12.169
  236    HZ   PHE  32           HZ       PHE  32  -2.946 -12.703  13.312
  237    H    CYS  33           H        CYS  33   1.935 -14.754   7.761
  238    HA   CYS  33           HA       CYS  33   2.938 -15.654   5.898
  239   1HB   CYS  33          1HB       CYS  33   5.222 -14.878   7.665
  240   2HB   CYS  33          2HB       CYS  33   5.571 -15.849   6.224
  241    H    SER  34           H        SER  34   4.963 -17.526   7.989
  242    HA   SER  34           HA       SER  34   4.751 -19.911   6.512
  243   1HB   SER  34          1HB       SER  34   5.354 -20.962   8.767
  244   2HB   SER  34          2HB       SER  34   6.451 -19.715   8.152
  245    HG   SER  34           HG       SER  34   5.873 -19.363  10.384
  246    H    SER  35           H        SER  35   2.843 -18.819   9.315
  247    HA   SER  35           HA       SER  35   0.525 -20.475   8.412
  248   1HB   SER  35          1HB       SER  35  -0.548 -19.679  10.514
  249   2HB   SER  35          2HB       SER  35   0.921 -20.627  10.800
  250    HG   SER  35           HG       SER  35   0.847 -18.696  12.090
  251    NH1  ARG  36           NH2      ARG  36  -6.530 -15.204   8.216
  252    NH2  ARG  36           NH1      ARG  36  -5.708 -13.136   7.705
  253    H    ARG  36           H        ARG  36  -0.231 -19.446   6.730
  254    HA   ARG  36           HA       ARG  36  -1.198 -17.924   5.315
  255   1HB   ARG  36          1HB       ARG  36  -2.838 -16.357   6.217
  256   2HB   ARG  36          2HB       ARG  36  -3.047 -17.986   6.884
  257   1HG   ARG  36          1HG       ARG  36  -2.019 -17.264   8.980
  258   2HG   ARG  36          2HG       ARG  36  -1.799 -15.636   8.315
  259   1HD   ARG  36          1HD       ARG  36  -4.541 -16.877   8.459
  260   2HD   ARG  36          2HD       ARG  36  -3.825 -16.091   9.877
  261    HE   ARG  36           HE       ARG  36  -3.493 -14.178   8.020
  262   1HH1  ARG  36          1HH2      ARG  36  -6.392 -16.163   8.462
  263   2HH1  ARG  36          2HH2      ARG  36  -7.455 -14.852   8.072
  264   1HH2  ARG  36          1HH1      ARG  36  -4.941 -12.511   7.560
  265   2HH2  ARG  36          2HH1      ARG  36  -6.645 -12.816   7.566
  266    H    GLY  37           H        GLY  37  -0.378 -16.987   3.968
  267   1HA   GLY  37          1HA       GLY  37   1.888 -15.265   4.703
  268   2HA   GLY  37          2HA       GLY  37   1.625 -16.074   3.149
  269    H    LYS  38           H        LYS  38   2.624 -13.752   3.204
  270    HA   LYS  38           HA       LYS  38   2.655 -11.700   2.248
  271   1HB   LYS  38          1HB       LYS  38   0.702 -13.109   0.605
  272   2HB   LYS  38          2HB       LYS  38   1.102 -11.409   0.304
  273   1HG   LYS  38          1HG       LYS  38   3.377 -11.880  -0.060
  274   2HG   LYS  38          2HG       LYS  38   3.279 -13.446   0.764
  275   1HD   LYS  38          1HD       LYS  38   1.922 -14.342  -1.077
  276   2HD   LYS  38          2HD       LYS  38   1.981 -12.772  -1.895
  277   1HE   LYS  38           HE1      LYS  38   4.562 -14.111  -1.160
  278   2HE   LYS  38           HE2      LYS  38   3.656 -14.713  -2.558
  279   1HZ   LYS  38          3HZ       LYS  38   3.651 -12.496  -3.463
  280   2HZ   LYS  38          1HZ       LYS  38   4.519 -11.919  -2.123
  281   3HZ   LYS  38          2HZ       LYS  38   5.238 -13.032  -3.186
  282    H    VAL  39           H        VAL  39   2.179 -10.690   4.154
  283    HA   VAL  39           HA       VAL  39  -0.356  -9.416   4.737
  284    HB   VAL  39           HB       VAL  39   2.477  -8.792   5.665
  285   1HG1  VAL  39          1HG1      VAL  39  -0.159  -7.808   6.780
  286   2HG1  VAL  39          2HG1      VAL  39   1.440  -7.539   7.494
  287   3HG1  VAL  39          3HG1      VAL  39   1.041  -6.828   5.921
  288   1HG2  VAL  39          3HG2      VAL  39   0.207 -10.283   7.037
  289   2HG2  VAL  39          1HG2      VAL  39   1.677 -11.021   6.380
  290   3HG2  VAL  39          2HG2      VAL  39   1.782  -9.910   7.756
  291    H    VAL  40           H        VAL  40  -1.110  -8.450   3.081
  292    HA   VAL  40           HA       VAL  40   0.465  -6.311   1.731
  293    HB   VAL  40           HB       VAL  40   0.021  -7.972   0.195
  294   1HG1  VAL  40          3HG1      VAL  40  -1.969  -9.074   1.154
  295   2HG1  VAL  40          1HG1      VAL  40  -2.945  -7.645   0.771
  296   3HG1  VAL  40          2HG1      VAL  40  -2.238  -8.612  -0.536
  297   1HG2  VAL  40          1HG2      VAL  40   0.194  -5.870  -0.658
  298   2HG2  VAL  40          2HG2      VAL  40  -1.025  -6.792  -1.555
  299   3HG2  VAL  40          3HG2      VAL  40  -1.528  -5.547  -0.400
  300    H    GLU  41           H        GLU  41  -0.073  -4.434   1.710
  301    HA   GLU  41           HA       GLU  41  -2.718  -3.396   1.381
  302   1HB   GLU  41          1HB       GLU  41  -2.808  -1.854   3.228
  303   2HB   GLU  41          2HB       GLU  41  -2.733  -3.515   3.844
  304   1HG   GLU  41          1HG       GLU  41  -0.587  -3.230   4.703
  305   2HG   GLU  41          2HG       GLU  41  -0.263  -1.812   3.691
  306    H    LEU  42           H        LEU  42  -2.326  -0.760   1.122
  307    HA   LEU  42           HA       LEU  42   0.063   0.051   2.397
  308   1HB   LEU  42          1HB       LEU  42   0.802  -0.429  -0.213
  309   2HB   LEU  42          2HB       LEU  42   1.211   1.170   0.429
  310    HG   LEU  42           HG       LEU  42   1.313  -0.900   2.511
  311   1HD1  LEU  42          3HD1      LEU  42   1.989  -2.381   0.698
  312   2HD1  LEU  42          1HD1      LEU  42   3.242  -1.226   0.217
  313   3HD1  LEU  42          2HD1      LEU  42   3.337  -2.030   1.792
  314   1HD2  LEU  42          1HD2      LEU  42   2.246   1.369   2.670
  315   2HD2  LEU  42          2HD2      LEU  42   3.510   0.146   2.878
  316   3HD2  LEU  42          3HD2      LEU  42   3.355   1.006   1.336
  317    H    GLY  43           H        GLY  43   0.595   2.259   2.298
  318   1HA   GLY  43          1HA       GLY  43  -1.774   4.004   1.843
  319   2HA   GLY  43          2HA       GLY  43  -0.688   4.160   3.234
  320    H    CYS  44           H        CYS  44  -0.056   6.099   2.998
  321    HA   CYS  44           HA       CYS  44   1.586   6.890   0.657
  322   1HB   CYS  44          1HB       CYS  44  -1.051   7.903   1.327
  323   2HB   CYS  44          2HB       CYS  44   0.161   9.190   1.436
  324    H    ALA  45           H        ALA  45   3.404   7.394   1.188
  325    HA   ALA  45           HA       ALA  45   3.932   8.891   3.715
  326   1HB   ALA  45          1HB       ALA  45   5.675   6.791   2.363
  327   2HB   ALA  45          2HB       ALA  45   6.110   7.716   3.811
  328   3HB   ALA  45          3HB       ALA  45   4.765   6.563   3.866
  329    H    ALA  46           H        ALA  46   5.307  10.539   3.640
  330    HA   ALA  46           HA       ALA  46   5.776  12.001   1.204
  331   1HB   ALA  46          3HB       ALA  46   5.495  13.032   3.447
  332   2HB   ALA  46          1HB       ALA  46   6.988  12.251   3.994
  333   3HB   ALA  46          2HB       ALA  46   7.049  13.496   2.734
  334    H    THR  47           H        THR  47   7.259   9.285   1.730
  335    HA   THR  47           HA       THR  47   9.335   9.522  -0.138
  336    HB   THR  47           HB       THR  47  10.497  10.921   1.534
  337    HG1  THR  47           HG1      THR  47  12.438   9.678   1.483
  338   1HG2  THR  47          1HG2      THR  47  10.474   8.466   3.318
  339   2HG2  THR  47          2HG2      THR  47  11.394   9.953   3.605
  340   3HG2  THR  47          3HG2      THR  47   9.622   9.986   3.640
  341    H    CYS  48           H        CYS  48  10.866   7.598   0.053
  342    HA   CYS  48           HA       CYS  48   9.229   5.186   0.641
  343   1HB   CYS  48          1HB       CYS  48  10.050   5.862  -1.687
  344   2HB   CYS  48          2HB       CYS  48  11.644   5.331  -1.125
  345    HA   PRO  49           HA       PRO  49  12.107   5.171   4.102
  346   1HB   PRO  49          1HB       PRO  49  10.899   3.256   5.624
  347   2HB   PRO  49          2HB       PRO  49  10.187   4.868   5.434
  348   1HG   PRO  49          1HG       PRO  49   9.494   2.304   3.960
  349   2HG   PRO  49          2HG       PRO  49   8.398   3.502   4.668
  350   1HD   PRO  49          2HD       PRO  49   8.997   3.494   1.999
  351   2HD   PRO  49          1HD       PRO  49   8.663   4.996   2.878
  352    H    SER  50           H        SER  50  13.812   4.660   2.962
  353    HA   SER  50           HA       SER  50  14.853   1.974   2.767
  354   1HB   SER  50          1HB       SER  50  15.632   3.841   1.380
  355   2HB   SER  50          2HB       SER  50  16.266   4.648   2.824
  356    HG   SER  50           HG       SER  50  17.900   3.446   1.691
  357    H    LYS  51           H        LYS  51  16.577   1.137   3.964
  358    HA   LYS  51           HA       LYS  51  17.751   0.468   5.815
  359   1HB   LYS  51          1HB       LYS  51  16.716   2.769   7.332
  360   2HB   LYS  51          2HB       LYS  51  17.859   1.540   7.901
  361   1HG   LYS  51          1HG       LYS  51  19.553   2.261   6.450
  362   2HG   LYS  51          2HG       LYS  51  18.413   3.061   5.355
  363   1HD   LYS  51          1HD       LYS  51  17.897   4.715   7.155
  364   2HD   LYS  51          2HD       LYS  51  19.117   3.944   8.181
  365   1HE   LYS  51           HE1      LYS  51  20.879   4.552   6.627
  366   2HE   LYS  51           HE2      LYS  51  19.692   5.191   5.477
  367   1HZ   LYS  51          3HZ       LYS  51  19.019   6.803   7.126
  368   2HZ   LYS  51          1HZ       LYS  51  20.155   6.191   8.228
  369   3HZ   LYS  51          2HZ       LYS  51  20.680   6.941   6.797
  370    H    LYS  52           H        LYS  52  14.419   0.649   5.567
  371    HA   LYS  52           HA       LYS  52  13.664  -0.968   7.853
  372   1HB   LYS  52          1HB       LYS  52  11.542  -0.992   6.963
  373   2HB   LYS  52          2HB       LYS  52  12.189   0.514   6.292
  374   1HG   LYS  52          1HG       LYS  52  12.548  -0.583   4.135
  375   2HG   LYS  52          2HG       LYS  52  11.944  -2.110   4.800
  376   1HD   LYS  52          1HD       LYS  52   9.785  -0.930   5.335
  377   2HD   LYS  52          2HD       LYS  52  10.403   0.480   4.456
  378   1HE   LYS  52           HE1      LYS  52   9.107  -0.615   2.850
  379   2HE   LYS  52           HE2      LYS  52  10.745  -1.187   2.490
  380   1HZ   LYS  52          1HZ       LYS  52   8.725  -2.615   4.107
  381   2HZ   LYS  52          2HZ       LYS  52   9.165  -2.980   2.509
  382   3HZ   LYS  52          3HZ       LYS  52  10.296  -3.162   3.764
  383    HA   PRO  53           HA       PRO  53  14.897  -5.102   6.717
  384   1HB   PRO  53          1HB       PRO  53  12.035  -5.801   7.433
  385   2HB   PRO  53          2HB       PRO  53  13.530  -6.632   7.894
  386   1HG   PRO  53          1HG       PRO  53  12.354  -5.013   9.676
  387   2HG   PRO  53          2HG       PRO  53  14.114  -4.941   9.492
  388   1HD   PRO  53          2HD       PRO  53  12.009  -3.059   8.398
  389   2HD   PRO  53          1HD       PRO  53  13.603  -2.674   9.071
  390    OH   TYR  54           OH       TYR  54  17.641   0.138   2.714
  391    H    TYR  54           H        TYR  54  15.182  -5.358   4.646
  392    HA   TYR  54           HA       TYR  54  13.297  -4.344   2.679
  393   1HB   TYR  54          1HB       TYR  54  15.983  -5.740   2.443
  394   2HB   TYR  54          2HB       TYR  54  15.078  -5.094   1.064
  395    HD1  TYR  54           HD1      TYR  54  14.126  -2.532   1.701
  396    HD2  TYR  54           HD2      TYR  54  17.800  -4.413   3.052
  397    HE1  TYR  54           HE1      TYR  54  15.195  -0.267   1.939
  398    HE2  TYR  54           HE2      TYR  54  18.872  -2.153   3.259
  399    HH   TYR  54           HH       TYR  54  18.556   0.059   3.026
  400    H    GLU  55           H        GLU  55  11.579  -5.109   2.801
  401    HA   GLU  55           HA       GLU  55  11.047  -7.783   1.580
  402   1HB   GLU  55          1HB       GLU  55   9.512  -6.139   3.628
  403   2HB   GLU  55          2HB       GLU  55   8.911  -7.633   2.888
  404   1HG   GLU  55          1HG       GLU  55  10.671  -8.923   3.924
  405   2HG   GLU  55          2HG       GLU  55  11.454  -7.452   4.527
  406    H    GLU  56           H        GLU  56   9.163  -7.723   0.060
  407    HA   GLU  56           HA       GLU  56   9.649  -5.578  -1.750
  408   1HB   GLU  56          1HB       GLU  56   8.034  -6.500  -3.231
  409   2HB   GLU  56          2HB       GLU  56   9.344  -7.577  -2.719
  410   1HG   GLU  56          1HG       GLU  56   7.921  -8.921  -1.465
  411   2HG   GLU  56          2HG       GLU  56   6.668  -7.673  -1.367
  412    H    VAL  57           H        VAL  57   9.085  -3.678  -1.398
  413    HA   VAL  57           HA       VAL  57   6.229  -2.892  -1.530
  414    HB   VAL  57           HB       VAL  57   8.340  -2.003   0.435
  415   1HG1  VAL  57          3HG1      VAL  57   7.686   0.121  -0.627
  416   2HG1  VAL  57          1HG1      VAL  57   5.980  -0.259  -0.335
  417   3HG1  VAL  57          2HG1      VAL  57   7.074   0.010   1.033
  418   1HG2  VAL  57          3HG2      VAL  57   5.426  -2.598   0.764
  419   2HG2  VAL  57          1HG2      VAL  57   6.799  -3.620   1.221
  420   3HG2  VAL  57          2HG2      VAL  57   6.534  -2.074   2.044
  421    H    THR  58           H        THR  58   5.928  -1.651  -3.230
  422    HA   THR  58           HA       THR  58   8.244  -0.315  -4.574
  423    HB   THR  58           HB       THR  58   7.044  -0.562  -6.706
  424    HG1  THR  58           HG1      THR  58   5.438  -2.229  -6.762
  425   1HG2  THR  58          3HG2      THR  58   8.933  -1.932  -6.156
  426   2HG2  THR  58          1HG2      THR  58   7.887  -3.083  -5.307
  427   3HG2  THR  58          2HG2      THR  58   7.723  -2.862  -7.057
  428    H    CYS  59           H        CYS  59   8.230   1.668  -4.488
  429    HA   CYS  59           HA       CYS  59   5.801   3.287  -3.903
  430   1HB   CYS  59          1HB       CYS  59   7.550   4.967  -3.166
  431   2HB   CYS  59          2HB       CYS  59   7.448   3.489  -2.193
  432    H    CYS  60           H        CYS  60   4.808   4.260  -5.212
  433    HA   CYS  60           HA       CYS  60   6.127   5.501  -7.584
  434   1HB   CYS  60          1HB       CYS  60   4.843   3.239  -7.864
  435   2HB   CYS  60          2HB       CYS  60   3.401   4.263  -7.755
  436    H    SER  61           H        SER  61   5.297   7.353  -8.363
  437    HA   SER  61           HA       SER  61   3.064   8.660  -6.837
  438   1HB   SER  61          1HB       SER  61   5.578   9.888  -8.023
  439   2HB   SER  61          2HB       SER  61   4.211  10.829  -7.405
  440    HG   SER  61           HG       SER  61   5.854  10.487  -5.784
  441    H    THR  62           H        THR  62   3.097   7.184  -9.563
  442    HA   THR  62           HA       THR  62   1.480   9.321 -10.911
  443    HB   THR  62           HB       THR  62   1.726   7.837 -12.960
  444    HG1  THR  62           HG1      THR  62   3.620   6.562 -12.931
  445   1HG2  THR  62          1HG2      THR  62   4.154   9.299 -11.860
  446   2HG2  THR  62          2HG2      THR  62   3.870   8.895 -13.561
  447   3HG2  THR  62          3HG2      THR  62   2.807  10.047 -12.735
  448    H    ASP  63           H        ASP  63  -0.397   8.948  -9.808
  449    HA   ASP  63           HA       ASP  63  -2.308   7.888  -9.022
  450   1HB   ASP  63          1HB       ASP  63  -3.591   6.683 -10.661
  451   2HB   ASP  63          2HB       ASP  63  -3.048   8.312 -11.100
  452    H    LYS  64           H        LYS  64  -3.427   5.312  -9.359
  453    HA   LYS  64           HA       LYS  64  -1.600   3.486  -7.994
  454   1HB   LYS  64          1HB       LYS  64  -3.407   1.771  -8.374
  455   2HB   LYS  64          2HB       LYS  64  -3.887   3.177  -7.407
  456   1HG   LYS  64          1HG       LYS  64  -4.427   3.372 -10.322
  457   2HG   LYS  64          2HG       LYS  64  -5.381   2.172  -9.432
  458   1HD   LYS  64          1HD       LYS  64  -6.066   3.878  -7.820
  459   2HD   LYS  64          2HD       LYS  64  -5.058   5.084  -8.639
  460   1HE   LYS  64           HE1      LYS  64  -6.639   5.485 -10.207
  461   2HE   LYS  64           HE2      LYS  64  -6.979   3.761 -10.432
  462   1HZ   LYS  64          3HZ       LYS  64  -8.208   3.773  -8.373
  463   2HZ   LYS  64          1HZ       LYS  64  -7.882   5.426  -8.157
  464   3HZ   LYS  64          2HZ       LYS  64  -8.849   4.913  -9.456
  465    H    CYS  65           H        CYS  65  -0.122   4.192  -9.637
  466    HA   CYS  65           HA       CYS  65   0.666   2.350 -11.628
  467   1HB   CYS  65          1HB       CYS  65   1.804   4.373 -11.326
  468   2HB   CYS  65          2HB       CYS  65   1.913   4.150  -9.572
  469    H    ASN  66           H        ASN  66   1.043   2.369  -8.116
  470    HA   ASN  66           HA       ASN  66   1.592  -0.552  -8.012
  471   1HB   ASN  66          1HB       ASN  66   2.110  -0.111  -5.652
  472   2HB   ASN  66          2HB       ASN  66   3.133   0.807  -6.770
  473   1HD2  ASN  66          2HD2      ASN  66   1.178   2.768  -3.833
  474   2HD2  ASN  66          1HD2      ASN  66   1.304   1.042  -3.896
  475    HA   PRO  67           HA       PRO  67  -2.603  -0.405  -6.389
  476   1HB   PRO  67          1HB       PRO  67  -4.112  -1.750  -8.203
  477   2HB   PRO  67          2HB       PRO  67  -3.542  -0.108  -8.546
  478   1HG   PRO  67          1HG       PRO  67  -2.423  -2.749  -9.519
  479   2HG   PRO  67          2HG       PRO  67  -2.628  -1.234 -10.413
  480   1HD   PRO  67          2HD       PRO  67  -0.236  -2.069  -9.217
  481   2HD   PRO  67          1HD       PRO  67  -0.612  -0.395  -9.661
  482    H    HIS  68           H        HIS  68  -3.474  -1.689  -4.884
  483    HA   HIS  68           HA       HIS  68  -2.645  -4.492  -4.619
  484   1HB   HIS  68          1HB       HIS  68  -3.053  -3.048  -2.632
  485   2HB   HIS  68          2HB       HIS  68  -4.763  -2.943  -3.086
  486    HD2  HIS  68           HD2      HIS  68  -3.612  -4.382  -0.288
  487    HE1  HIS  68           HE1      HIS  68  -4.888  -7.991  -2.071
  488    HE2  HIS  68           HE2      HIS  68  -4.265  -6.814   0.103
  489    HA   PRO  69           HA       PRO  69  -6.049  -5.898  -7.139
  490   1HB   PRO  69          1HB       PRO  69  -5.267  -8.483  -7.455
  491   2HB   PRO  69          2HB       PRO  69  -4.435  -7.159  -8.291
  492   1HG   PRO  69          1HG       PRO  69  -3.612  -8.627  -5.768
  493   2HG   PRO  69          2HG       PRO  69  -2.608  -8.130  -7.140
  494   1HD   PRO  69          2HD       PRO  69  -2.816  -6.678  -4.776
  495   2HD   PRO  69          1HD       PRO  69  -2.371  -5.961  -6.333
  496    H    LYS  70           H        LYS  70  -7.194  -5.366  -5.226
  497    HA   LYS  70           HA       LYS  70  -7.861  -6.574  -2.905
  498   1HB   LYS  70          1HB       LYS  70  -8.897  -4.529  -4.009
  499   2HB   LYS  70          2HB       LYS  70  -9.929  -5.637  -4.929
  500   1HG   LYS  70          1HG       LYS  70 -10.850  -6.520  -2.816
  501   2HG   LYS  70          2HG       LYS  70  -9.830  -5.393  -1.907
  502   1HD   LYS  70          1HD       LYS  70 -10.977  -3.488  -2.957
  503   2HD   LYS  70          2HD       LYS  70 -11.979  -4.601  -3.904
  504   1HE   LYS  70           HE1      LYS  70 -12.899  -5.549  -1.821
  505   2HE   LYS  70           HE2      LYS  70 -11.895  -4.441  -0.871
  506   1HZ   LYS  70          3HZ       LYS  70 -13.000  -2.595  -1.928
  507   2HZ   LYS  70          1HZ       LYS  70 -13.963  -3.657  -2.838
  508   3HZ   LYS  70          2HZ       LYS  70 -14.123  -3.602  -1.148
  509    H    GLN  71           H        GLN  71  -9.954  -7.558  -5.517
  510    HA   GLN  71           HA       GLN  71 -11.285  -9.321  -5.878
  511   1HB   GLN  71          1HB       GLN  71 -10.627 -11.455  -5.887
  512   2HB   GLN  71          2HB       GLN  71  -9.492 -10.313  -6.626
  513   1HG   GLN  71          1HG       GLN  71  -7.940 -10.582  -4.811
  514   2HG   GLN  71          2HG       GLN  71  -9.104 -11.558  -3.898
  515   1HE2  GLN  71          2HE2      GLN  71  -8.424 -14.576  -5.614
  516   2HE2  GLN  71          1HE2      GLN  71  -9.449 -13.744  -4.493
  517    NH1  ARG  72           NH2      ARG  72 -11.892 -13.407  -4.606
  518    NH2  ARG  72           NH1      ARG  72 -11.097 -15.519  -4.494
  519    H    ARG  72           H        ARG  72 -10.151  -9.512  -2.554
  520    HA   ARG  72           HA       ARG  72 -12.797 -10.532  -1.633
  521   1HB   ARG  72          1HB       ARG  72 -10.113 -10.746  -0.245
  522   2HB   ARG  72          2HB       ARG  72 -11.656 -11.406   0.327
  523   1HG   ARG  72          1HG       ARG  72 -10.185 -12.286  -2.166
  524   2HG   ARG  72          2HG       ARG  72 -10.168 -13.130  -0.609
  525   1HD   ARG  72          1HD       ARG  72 -12.518 -13.647  -0.790
  526   2HD   ARG  72          2HD       ARG  72 -12.677 -12.634  -2.236
  527    HE   ARG  72           HE       ARG  72 -11.388 -15.284  -2.054
  528   1HH1  ARG  72          1HH2      ARG  72 -12.238 -12.572  -4.176
  529   2HH1  ARG  72          2HH2      ARG  72 -11.815 -13.463  -5.602
  530   1HH2  ARG  72          1HH1      ARG  72 -10.822 -16.328  -3.976
  531   2HH2  ARG  72          2HH1      ARG  72 -11.039 -15.520  -5.493
  532    HA   PRO  73           HA       PRO  73 -13.137  -6.463   0.273
  533   1HB   PRO  73          1HB       PRO  73 -14.939  -7.912   2.201
  534   2HB   PRO  73          2HB       PRO  73 -15.238  -6.417   1.298
  535   1HG   PRO  73          1HG       PRO  73 -16.377  -8.695   0.456
  536   2HG   PRO  73          2HG       PRO  73 -15.671  -7.595  -0.739
  537   1HD   PRO  73          2HD       PRO  73 -14.491 -10.133   0.433
  538   2HD   PRO  73          1HD       PRO  73 -14.483  -9.584  -1.251
  539    H    GLY  74           H        GLY  74 -11.234  -6.080   1.137
  540   1HA   GLY  74          1HA       GLY  74  -9.712  -5.600   2.816
  541   2HA   GLY  74          2HA       GLY  74 -10.779  -6.396   3.984
  542   1H    LYS  75          2H        LYS  75  -7.523   5.174   9.817
  543   2H    LYS  75          3H        LYS  75  -7.829   3.724  10.647
  544   3H    LYS  75          1H        LYS  75  -7.210   5.066  11.483
  545    HA   LYS  75           HA       LYS  75  -5.161   4.953  10.223
  546   1HB   LYS  75          1HB       LYS  75  -4.275   2.941  11.236
  547   2HB   LYS  75          2HB       LYS  75  -5.422   3.688  12.360
  548   1HG   LYS  75          1HG       LYS  75  -7.048   2.015  11.979
  549   2HG   LYS  75          2HG       LYS  75  -6.215   1.421  10.532
  550   1HD   LYS  75          1HD       LYS  75  -4.306   0.727  11.972
  551   2HD   LYS  75          2HD       LYS  75  -5.239   1.223  13.395
  552   1HE   LYS  75           HE1      LYS  75  -6.121  -0.909  11.422
  553   2HE   LYS  75           HE2      LYS  75  -5.307  -1.238  12.960
  554   1HZ   LYS  75          1HZ       LYS  75  -7.892   0.160  12.631
  555   2HZ   LYS  75          2HZ       LYS  75  -7.683  -1.442  13.154
  556   3HZ   LYS  75          3HZ       LYS  75  -7.112  -0.157  14.105
  557    H    HIS  76           H        HIS  76  -3.818   4.190   8.750
  558    HA   HIS  76           HA       HIS  76  -4.822   2.808   6.412
  559   1HB   HIS  76          1HB       HIS  76  -2.066   3.564   7.297
  560   2HB   HIS  76          2HB       HIS  76  -2.411   2.715   5.780
  561    HD2  HIS  76           HD2      HIS  76  -2.379   4.364   3.859
  562    HE1  HIS  76           HE1      HIS  76  -3.927   7.841   5.666
  563    HE2  HIS  76           HE2      HIS  76  -2.949   6.832   3.528
  564    CH2  TRP  77           CH2      TRP  77 -10.608  -3.594   6.409
  565    H    TRP  77           H        TRP  77  -5.488   0.814   6.584
  566    HA   TRP  77           HA       TRP  77  -4.087  -1.121   8.383
  567   1HB   TRP  77          1HB       TRP  77  -6.235  -2.153   8.788
  568   2HB   TRP  77          2HB       TRP  77  -6.353  -0.420   9.143
  569    HD1  TRP  77           HD1      TRP  77  -7.567   1.059   7.131
  570    HE1  TRP  77           HE1      TRP  77  -9.901   0.562   6.287
  571    HE3  TRP  77           HE3      TRP  77  -7.442  -3.965   7.675
  572    HZ2  TRP  77           HZ2      TRP  77 -11.540  -1.706   5.871
  573    HZ3  TRP  77           HZ3      TRP  77  -9.436  -5.315   7.015
  574    HH2  TRP  77           HH2      TRP  77 -11.471  -4.189   6.128
  575    H    VAL  78           H        VAL  78  -4.431  -3.323   8.098
  576    HA   VAL  78           HA       VAL  78  -3.434  -4.062   5.437
  577    HB   VAL  78           HB       VAL  78  -3.313  -6.402   6.481
  578   1HG1  VAL  78          1HG1      VAL  78  -1.582  -4.208   7.491
  579   2HG1  VAL  78          2HG1      VAL  78  -1.223  -5.942   7.562
  580   3HG1  VAL  78          3HG1      VAL  78  -1.411  -5.140   5.994
  581   1HG2  VAL  78          1HG2      VAL  78  -4.789  -6.068   8.429
  582   2HG2  VAL  78          2HG2      VAL  78  -3.150  -6.514   8.931
  583   3HG2  VAL  78          3HG2      VAL  78  -3.687  -4.830   9.053
  584    OH   TYR  79           OH       TYR  79  -7.464   0.556   3.409
  585    H    TYR  79           H        TYR  79  -4.178  -4.609   3.821
  586    HA   TYR  79           HA       TYR  79  -6.917  -5.758   3.737
  587   1HB   TYR  79          1HB       TYR  79  -5.250  -4.702   1.434
  588   2HB   TYR  79          2HB       TYR  79  -6.966  -5.140   1.402
  589    HD1  TYR  79           HD2      TYR  79  -8.480  -3.842   3.252
  590    HD2  TYR  79           HD1      TYR  79  -4.650  -2.520   1.704
  591    HE1  TYR  79           HE2      TYR  79  -8.929  -1.534   4.097
  592    HE2  TYR  79           HE1      TYR  79  -5.112  -0.207   2.557
  593    HH   TYR  79           HH       TYR  79  -8.316   0.602   3.871
  594    OH   TYR  80           OH       TYR  80  -1.655 -13.380   7.731
  595    H    TYR  80           H        TYR  80  -5.748  -7.490   4.753
  596    HA   TYR  80           HA       TYR  80  -4.513  -9.419   2.851
  597   1HB   TYR  80          1HB       TYR  80  -2.671  -8.780   3.849
  598   2HB   TYR  80          2HB       TYR  80  -3.513  -8.163   5.281
  599    HD1  TYR  80           HD1      TYR  80  -2.341 -11.388   3.680
  600    HD2  TYR  80           HD2      TYR  80  -3.386  -9.223   7.295
  601    HE1  TYR  80           HE1      TYR  80  -1.580 -13.342   5.068
  602    HE2  TYR  80           HE2      TYR  80  -2.655 -11.182   8.680
  603    HH   TYR  80           HH       TYR  80  -1.798 -13.148   8.662
   
  Start of MODEL           3
 Raw file had 603 H/Q atoms
  Start of MODEL    3
    1   1H    ILE   1          3H        ILE   1  -4.368  14.141  -4.676
    2   2H    ILE   1          1H        ILE   1  -3.290  13.571  -3.494
    3   3H    ILE   1          2H        ILE   1  -2.772  14.719  -4.634
    4    HA   ILE   1           HA       ILE   1  -3.049  13.154  -6.411
    5    HB   ILE   1           HB       ILE   1  -1.114  13.096  -4.357
    6   1HG1  ILE   1          1HG1      ILE   1  -1.074  13.221  -7.333
    7   2HG1  ILE   1          2HG1      ILE   1  -1.303  14.586  -6.227
    8   1HG2  ILE   1          1HG2      ILE   1  -1.166  10.776  -6.318
    9   2HG2  ILE   1          2HG2      ILE   1   0.205  11.252  -5.301
   10   3HG2  ILE   1          3HG2      ILE   1  -1.281  10.641  -4.555
   11   1HD1  ILE   1          1HD1      ILE   1   1.188  12.866  -6.425
   12   2HD1  ILE   1          2HD1      ILE   1   0.997  14.505  -7.070
   13   3HD1  ILE   1          3HD1      ILE   1   0.958  14.232  -5.319
   14    H    VAL   2           H        VAL   2  -4.062  11.680  -7.211
   15    HA   VAL   2           HA       VAL   2  -5.869   9.922  -5.687
   16    HB   VAL   2           HB       VAL   2  -6.800   9.446  -8.003
   17   1HG1  VAL   2          3HG1      VAL   2  -7.884  10.966  -6.527
   18   2HG1  VAL   2          1HG1      VAL   2  -6.825  12.289  -7.044
   19   3HG1  VAL   2          2HG1      VAL   2  -7.969  11.570  -8.190
   20   1HG2  VAL   2          1HG2      VAL   2  -4.850  10.027  -9.386
   21   2HG2  VAL   2          2HG2      VAL   2  -6.268  10.991  -9.831
   22   3HG2  VAL   2          3HG2      VAL   2  -4.976  11.713  -8.857
   23    H    CYS   3           H        CYS   3  -4.364   8.654  -4.789
   24    HA   CYS   3           HA       CYS   3  -3.380   6.405  -6.426
   25   1HB   CYS   3          1HB       CYS   3  -1.627   8.331  -6.085
   26   2HB   CYS   3          2HB       CYS   3  -1.553   7.727  -4.421
   27    H    HIS   4           H        HIS   4  -2.065   5.099  -4.385
   28    HA   HIS   4           HA       HIS   4  -4.404   4.225  -2.833
   29   1HB   HIS   4          1HB       HIS   4  -1.574   3.151  -3.174
   30   2HB   HIS   4          2HB       HIS   4  -2.805   2.367  -2.170
   31    HD2  HIS   4           HD2      HIS   4  -1.576   1.479  -5.252
   32    HE1  HIS   4           HE1      HIS   4  -5.514   2.183  -6.602
   33    HE2  HIS   4           HE2      HIS   4  -3.206   1.227  -7.196
   34    H    THR   5           H        THR   5  -5.131   5.420  -1.822
   35    HA   THR   5           HA       THR   5  -4.074   6.871   0.426
   36    HB   THR   5           HB       THR   5  -6.899   6.181  -0.509
   37    HG1  THR   5           HG1      THR   5  -6.838   8.401  -1.159
   38   1HG2  THR   5          3HG2      THR   5  -7.140   6.561   1.792
   39   2HG2  THR   5          1HG2      THR   5  -6.279   8.105   1.663
   40   3HG2  THR   5          2HG2      THR   5  -7.831   7.884   0.836
   41    H    THR   6           H        THR   6  -6.237   4.274  -0.069
   42    HA   THR   6           HA       THR   6  -7.103   2.460   1.051
   43    HB   THR   6           HB       THR   6  -5.347   1.052   2.221
   44    HG1  THR   6           HG1      THR   6  -3.196   1.734   1.984
   45   1HG2  THR   6          1HG2      THR   6  -4.685   2.019  -0.581
   46   2HG2  THR   6          2HG2      THR   6  -4.125   0.507   0.153
   47   3HG2  THR   6          3HG2      THR   6  -5.849   0.747  -0.175
   48    H    ALA   7           H        ALA   7  -6.986   5.018   2.617
   49    HA   ALA   7           HA       ALA   7  -7.152   4.244   5.379
   50   1HB   ALA   7          1HB       ALA   7  -8.100   6.683   3.837
   51   2HB   ALA   7          2HB       ALA   7  -8.001   6.578   5.602
   52   3HB   ALA   7          3HB       ALA   7  -6.527   6.478   4.624
   53    H    THR   8           H        THR   8  -8.905   2.781   3.513
   54    HA   THR   8           HA       THR   8 -11.554   2.766   4.607
   55    HB   THR   8           HB       THR   8 -12.651   3.684   2.484
   56    HG1  THR   8           HG1      THR   8 -11.368   5.338   1.477
   57   1HG2  THR   8          3HG2      THR   8 -13.022   4.660   4.573
   58   2HG2  THR   8          1HG2      THR   8 -11.499   5.561   4.476
   59   3HG2  THR   8          2HG2      THR   8 -12.805   5.903   3.328
   60    H    SER   9           H        SER   9 -12.893   2.112   2.259
   61    HA   SER   9           HA       SER   9 -12.797  -0.618   1.952
   62   1HB   SER   9          1HB       SER   9 -13.930  -0.120  -0.266
   63   2HB   SER   9          2HB       SER   9 -14.570   0.851   1.072
   64    HG   SER   9           HG       SER   9 -14.070   2.140  -0.797
   65    HA   PRO  10           HA       PRO  10  -9.448  -2.633  -0.127
   66   1HB   PRO  10          1HB       PRO  10 -11.935  -3.279  -1.780
   67   2HB   PRO  10          2HB       PRO  10 -10.545  -4.329  -1.459
   68   1HG   PRO  10          1HG       PRO  10 -12.716  -4.519   0.115
   69   2HG   PRO  10          2HG       PRO  10 -11.105  -4.567   0.853
   70   1HD   PRO  10          2HD       PRO  10 -13.139  -2.387   0.923
   71   2HD   PRO  10          1HD       PRO  10 -11.792  -2.691   2.032
   72    H    ILE  11           H        ILE  11  -8.362  -1.090  -0.441
   73    HA   ILE  11           HA       ILE  11  -6.819   0.113  -1.535
   74    HB   ILE  11           HB       ILE  11  -7.295  -1.079  -4.201
   75   1HG1  ILE  11          1HG1      ILE  11  -7.699  -3.094  -2.975
   76   2HG1  ILE  11          2HG1      ILE  11  -6.084  -3.142  -3.700
   77   1HG2  ILE  11          1HG2      ILE  11  -4.865  -0.527  -2.518
   78   2HG2  ILE  11          2HG2      ILE  11  -4.845  -1.144  -4.179
   79   3HG2  ILE  11          3HG2      ILE  11  -5.519   0.459  -3.839
   80   1HD1  ILE  11          1HD1      ILE  11  -6.698  -2.673  -0.771
   81   2HD1  ILE  11          2HD1      ILE  11  -6.093  -4.177  -1.489
   82   3HD1  ILE  11          3HD1      ILE  11  -5.081  -2.722  -1.496
   83    H    SER  12           H        SER  12  -8.163   1.703  -0.976
   84    HA   SER  12           HA       SER  12  -9.843   2.961  -3.020
   85   1HB   SER  12          1HB       SER  12 -10.357   4.539  -1.138
   86   2HB   SER  12          2HB       SER  12 -10.780   2.842  -0.853
   87    HG   SER  12           HG       SER  12  -9.617   3.778   0.939
   88    H    ALA  13           H        ALA  13  -8.474   3.659  -4.515
   89    HA   ALA  13           HA       ALA  13  -6.483   5.728  -4.064
   90   1HB   ALA  13          3HB       ALA  13  -6.476   4.291  -6.083
   91   2HB   ALA  13          1HB       ALA  13  -8.055   4.945  -6.555
   92   3HB   ALA  13          2HB       ALA  13  -6.632   6.000  -6.524
   93    H    VAL  14           H        VAL  14  -7.121   7.436  -2.984
   94    HA   VAL  14           HA       VAL  14  -9.650   8.823  -3.800
   95    HB   VAL  14           HB       VAL  14  -8.594   8.559  -1.020
   96   1HG1  VAL  14          1HG1      VAL  14 -11.053   9.986  -2.015
   97   2HG1  VAL  14          2HG1      VAL  14 -10.639   9.666  -0.322
   98   3HG1  VAL  14          3HG1      VAL  14  -9.612  10.730  -1.300
   99   1HG2  VAL  14          1HG2      VAL  14  -9.677   6.502  -1.840
  100   2HG2  VAL  14          2HG2      VAL  14 -10.682   7.319  -0.632
  101   3HG2  VAL  14          3HG2      VAL  14 -11.084   7.447  -2.352
  102    H    THR  15           H        THR  15  -7.261   9.850  -1.494
  103    HA   THR  15           HA       THR  15  -5.757  11.676  -3.193
  104    HB   THR  15           HB       THR  15  -7.233  13.067  -0.997
  105    HG1  THR  15           HG1      THR  15  -8.680  13.845  -2.636
  106   1HG2  THR  15          3HG2      THR  15  -5.222  14.112  -1.985
  107   2HG2  THR  15          1HG2      THR  15  -5.948  13.982  -3.596
  108   3HG2  THR  15          2HG2      THR  15  -6.683  15.037  -2.377
  109    H    CYS  16           H        CYS  16  -3.882  12.155  -2.216
  110    HA   CYS  16           HA       CYS  16  -3.453  11.231   0.601
  111   1HB   CYS  16          1HB       CYS  16  -1.737  10.954  -1.886
  112   2HB   CYS  16          2HB       CYS  16  -1.123  10.674  -0.247
  113    HA   PRO  17           HA       PRO  17  -2.316  15.579   1.106
  114   1HB   PRO  17          1HB       PRO  17  -3.207  14.631   3.816
  115   2HB   PRO  17          2HB       PRO  17  -3.253  16.258   3.116
  116   1HG   PRO  17          1HG       PRO  17  -5.455  14.755   3.007
  117   2HG   PRO  17          2HG       PRO  17  -4.975  15.671   1.568
  118   1HD   PRO  17          2HD       PRO  17  -4.636  12.713   2.139
  119   2HD   PRO  17          1HD       PRO  17  -5.047  13.510   0.610
  120    HA   PRO  18           HA       PRO  18   1.140  14.165   4.047
  121   1HB   PRO  18          1HB       PRO  18   1.132  11.177   4.062
  122   2HB   PRO  18          2HB       PRO  18   1.341  12.299   5.417
  123   1HG   PRO  18          1HG       PRO  18  -0.968  10.943   5.143
  124   2HG   PRO  18          2HG       PRO  18  -0.996  12.639   5.657
  125   1HD   PRO  18          2HD       PRO  18  -1.413  11.510   2.855
  126   2HD   PRO  18          1HD       PRO  18  -2.413  12.689   3.721
  127    H    GLY  19           H        GLY  19   2.450  14.840   2.557
  128   1HA   GLY  19          1HA       GLY  19   4.411  14.683   1.328
  129   2HA   GLY  19          2HA       GLY  19   4.198  12.927   1.235
  130    H    GLU  20           H        GLU  20   1.721  12.884   0.034
  131    HA   GLU  20           HA       GLU  20   0.409  13.199  -1.858
  132   1HB   GLU  20          1HB       GLU  20   2.393  15.241  -2.681
  133   2HB   GLU  20          2HB       GLU  20   0.934  14.797  -3.582
  134   1HG   GLU  20          1HG       GLU  20   0.851  15.727  -0.716
  135   2HG   GLU  20          2HG       GLU  20   0.810  16.853  -2.084
  136    H    ASN  21           H        ASN  21   3.827  13.298  -2.741
  137    HA   ASN  21           HA       ASN  21   3.610  12.051  -5.292
  138   1HB   ASN  21          1HB       ASN  21   6.038  11.945  -5.206
  139   2HB   ASN  21          2HB       ASN  21   5.467  13.513  -4.610
  140   1HD2  ASN  21          2HD2      ASN  21   8.190  11.794  -2.443
  141   2HD2  ASN  21          1HD2      ASN  21   8.001  11.775  -4.165
  142    H    LEU  22           H        LEU  22   4.102  10.573  -2.166
  143    HA   LEU  22           HA       LEU  22   4.954   8.034  -3.527
  144   1HB   LEU  22          1HB       LEU  22   6.549   9.682  -2.190
  145   2HB   LEU  22          2HB       LEU  22   5.788   8.943  -0.770
  146    HG   LEU  22           HG       LEU  22   7.982   7.950  -1.385
  147   1HD1  LEU  22          3HD1      LEU  22   6.567   6.801   0.044
  148   2HD1  LEU  22          1HD1      LEU  22   5.675   6.096  -1.315
  149   3HD1  LEU  22          2HD1      LEU  22   7.376   5.674  -1.058
  150   1HD2  LEU  22          1HD2      LEU  22   7.821   8.052  -3.851
  151   2HD2  LEU  22          2HD2      LEU  22   8.108   6.394  -3.295
  152   3HD2  LEU  22          3HD2      LEU  22   6.487   6.888  -3.812
  153    H    CYS  23           H        CYS  23   3.268   7.180  -3.823
  154    HA   CYS  23           HA       CYS  23   1.737   6.093  -1.531
  155   1HB   CYS  23          1HB       CYS  23   0.409   5.068  -3.537
  156   2HB   CYS  23          2HB       CYS  23   0.133   6.736  -3.008
  157    OH   TYR  24           OH       TYR  24   1.964   5.102   4.583
  158    H    TYR  24           H        TYR  24   2.366   4.489  -0.696
  159    HA   TYR  24           HA       TYR  24   4.236   2.613  -2.015
  160   1HB   TYR  24          1HB       TYR  24   5.063   2.119   0.209
  161   2HB   TYR  24          2HB       TYR  24   5.323   3.781  -0.345
  162    HD1  TYR  24           HD2      TYR  24   3.033   1.688   1.792
  163    HD2  TYR  24           HD1      TYR  24   4.817   5.571   1.063
  164    HE1  TYR  24           HE2      TYR  24   1.894   2.591   3.826
  165    HE2  TYR  24           HE1      TYR  24   3.728   6.451   3.143
  166    HH   TYR  24           HH       TYR  24   1.443   4.393   4.992
  167    NH1  ARG  25           NH1      ARG  25   4.231  -5.535  -5.606
  168    NH2  ARG  25           NH2      ARG  25   3.041  -7.212  -4.647
  169    H    ARG  25           H        ARG  25   3.521   0.814  -2.530
  170    HA   ARG  25           HA       ARG  25   1.986  -0.871  -0.640
  171   1HB   ARG  25          1HB       ARG  25   1.518  -1.144  -3.011
  172   2HB   ARG  25          2HB       ARG  25   3.245  -1.292  -3.378
  173   1HG   ARG  25          1HG       ARG  25   3.023  -3.394  -1.751
  174   2HG   ARG  25          2HG       ARG  25   1.343  -3.322  -2.312
  175   1HD   ARG  25          1HD       ARG  25   2.141  -3.231  -4.653
  176   2HD   ARG  25          2HD       ARG  25   3.814  -3.336  -4.080
  177    HE   ARG  25           HE       ARG  25   2.094  -5.502  -3.198
  178   1HH1  ARG  25          1HH1      ARG  25   4.455  -4.566  -5.706
  179   2HH1  ARG  25          2HH1      ARG  25   4.676  -6.213  -6.189
  180   1HH2  ARG  25          1HH2      ARG  25   2.347  -7.536  -4.004
  181   2HH2  ARG  25          2HH2      ARG  25   3.507  -7.860  -5.250
  182    H    LYS  26           H        LYS  26   3.330  -0.993   1.114
  183    HA   LYS  26           HA       LYS  26   5.932  -2.445   0.738
  184   1HB   LYS  26          1HB       LYS  26   4.944  -1.054   3.204
  185   2HB   LYS  26          2HB       LYS  26   6.515  -1.836   2.963
  186   1HG   LYS  26          1HG       LYS  26   7.051  -0.204   1.202
  187   2HG   LYS  26          2HG       LYS  26   5.484   0.583   1.461
  188   1HD   LYS  26          1HD       LYS  26   6.205   0.855   3.905
  189   2HD   LYS  26          2HD       LYS  26   7.831   0.407   3.362
  190   1HE   LYS  26           HE1      LYS  26   6.198   2.803   2.466
  191   2HE   LYS  26           HE2      LYS  26   7.682   2.820   3.436
  192   1HZ   LYS  26          3HZ       LYS  26   8.866   1.898   1.573
  193   2HZ   LYS  26          1HZ       LYS  26   7.445   1.883   0.644
  194   3HZ   LYS  26          2HZ       LYS  26   8.112   3.359   1.149
  195    H    MET  27           H        MET  27   5.532  -4.497   0.684
  196    HA   MET  27           HA       MET  27   3.479  -5.808   2.377
  197   1HB   MET  27          1HB       MET  27   2.578  -5.126   0.194
  198   2HB   MET  27          2HB       MET  27   3.928  -5.927  -0.630
  199   1HG   MET  27          1HG       MET  27   3.050  -8.103   0.328
  200   2HG   MET  27          2HG       MET  27   1.599  -7.203   0.799
  201   1HE   MET  27          3HE       MET  27   2.098  -9.722  -1.399
  202   2HE   MET  27          1HE       MET  27   0.495  -9.212  -0.843
  203   3HE   MET  27          2HE       MET  27   0.835  -9.324  -2.577
  204    CH2  TRP  28           CH2      TRP  28   5.278  -3.791   6.019
  205    H    TRP  28           H        TRP  28   4.250  -7.535   3.392
  206    HA   TRP  28           HA       TRP  28   6.367  -9.191   2.115
  207   1HB   TRP  28          1HB       TRP  28   7.712  -9.199   4.091
  208   2HB   TRP  28          2HB       TRP  28   7.618  -7.691   3.165
  209    HD1  TRP  28           HD1      TRP  28   6.409  -9.257   6.431
  210    HE1  TRP  28           HE1      TRP  28   5.350  -7.519   7.912
  211    HE3  TRP  28           HE3      TRP  28   7.025  -5.198   3.409
  212    HZ2  TRP  28           HZ2      TRP  28   4.537  -4.874   7.747
  213    HZ3  TRP  28           HZ3      TRP  28   6.156  -2.994   4.212
  214    HH2  TRP  28           HH2      TRP  28   4.849  -2.841   6.322
  215    H    CYS  29           H        CYS  29   6.399 -10.310   5.190
  216    HA   CYS  29           HA       CYS  29   4.446 -12.500   4.664
  217   1HB   CYS  29          1HB       CYS  29   6.807 -13.015   5.193
  218   2HB   CYS  29          2HB       CYS  29   6.663 -12.110   6.709
  219    H    ASP  30           H        ASP  30   2.721 -12.903   5.455
  220    HA   ASP  30           HA       ASP  30   0.737 -11.685   6.485
  221   1HB   ASP  30          1HB       ASP  30   0.198 -13.442   8.204
  222   2HB   ASP  30          2HB       ASP  30   0.594 -14.067   6.595
  223    H    ALA  31           H        ALA  31   2.511 -12.334   9.456
  224    HA   ALA  31           HA       ALA  31   1.647  -9.556  10.151
  225   1HB   ALA  31          1HB       ALA  31   1.702 -11.987  11.919
  226   2HB   ALA  31          2HB       ALA  31   1.331 -10.335  12.445
  227   3HB   ALA  31          3HB       ALA  31   0.277 -11.151  11.278
  228    H    PHE  32           H        PHE  32   3.920  -9.486   9.011
  229    HA   PHE  32           HA       PHE  32   6.155  -9.258   8.852
  230   1HB   PHE  32          1HB       PHE  32   7.489  -8.272  10.333
  231   2HB   PHE  32          2HB       PHE  32   6.003  -7.439   9.845
  232    HD1  PHE  32           HD1      PHE  32   6.762  -9.846  12.691
  233    HD2  PHE  32           HD2      PHE  32   5.462  -5.909  11.424
  234    HE1  PHE  32           HE1      PHE  32   6.600  -9.127  15.083
  235    HE2  PHE  32           HE2      PHE  32   5.325  -5.190  13.821
  236    HZ   PHE  32           HZ       PHE  32   5.902  -6.795  15.630
  237    H    CYS  33           H        CYS  33   5.324 -11.288  11.565
  238    HA   CYS  33           HA       CYS  33   5.466 -13.558  11.671
  239   1HB   CYS  33          1HB       CYS  33   7.431 -13.391   9.352
  240   2HB   CYS  33          2HB       CYS  33   6.705 -14.871  10.001
  241    H    SER  34           H        SER  34   8.022 -11.604  12.238
  242    HA   SER  34           HA       SER  34   9.531 -13.519  13.858
  243   1HB   SER  34          1HB       SER  34  10.399 -11.236  14.796
  244   2HB   SER  34          2HB       SER  34  10.811 -11.684  13.132
  245    HG   SER  34           HG       SER  34   9.959  -9.516  13.281
  246    H    SER  35           H        SER  35   7.366 -10.779  14.688
  247    HA   SER  35           HA       SER  35   6.198 -12.603  16.766
  248   1HB   SER  35          1HB       SER  35   6.397  -9.653  17.003
  249   2HB   SER  35          2HB       SER  35   5.457 -10.727  18.052
  250    HG   SER  35           HG       SER  35   7.594 -10.330  18.877
  251    NH1  ARG  36           NH2      ARG  36   0.683 -14.563  12.547
  252    NH2  ARG  36           NH1      ARG  36   2.933 -14.526  12.270
  253    H    ARG  36           H        ARG  36   4.405  -9.779  16.363
  254    HA   ARG  36           HA       ARG  36   2.682 -10.767  14.165
  255   1HB   ARG  36          1HB       ARG  36   1.682 -10.294  16.969
  256   2HB   ARG  36          2HB       ARG  36   0.666 -10.540  15.537
  257   1HG   ARG  36          1HG       ARG  36   2.650 -12.621  16.414
  258   2HG   ARG  36          2HG       ARG  36   1.049 -12.505  17.164
  259   1HD   ARG  36          1HD       ARG  36   0.653 -14.093  15.557
  260   2HD   ARG  36          2HD       ARG  36   0.216 -12.622  14.671
  261    HE   ARG  36           HE       ARG  36   2.951 -13.095  14.241
  262   1HH1  ARG  36          1HH2      ARG  36  -0.143 -14.240  13.009
  263   2HH1  ARG  36          2HH2      ARG  36   0.608 -15.131  11.727
  264   1HH2  ARG  36          1HH1      ARG  36   3.836 -14.178  12.522
  265   2HH2  ARG  36          2HH1      ARG  36   2.826 -15.090  11.451
  266    H    GLY  37           H        GLY  37   2.665  -9.152  12.947
  267   1HA   GLY  37          1HA       GLY  37   1.430  -6.622  13.778
  268   2HA   GLY  37          2HA       GLY  37   3.043  -6.494  13.057
  269    H    LYS  38           H        LYS  38   2.927  -5.834  11.083
  270    HA   LYS  38           HA       LYS  38   0.688  -6.665   9.305
  271   1HB   LYS  38          1HB       LYS  38   1.064  -4.512   8.188
  272   2HB   LYS  38          2HB       LYS  38   0.670  -4.346   9.907
  273   1HG   LYS  38          1HG       LYS  38   3.116  -4.069  10.372
  274   2HG   LYS  38          2HG       LYS  38   3.399  -4.060   8.622
  275   1HD   LYS  38          1HD       LYS  38   2.026  -2.075   8.362
  276   2HD   LYS  38          2HD       LYS  38   1.570  -2.122  10.074
  277   1HE   LYS  38           HE1      LYS  38   4.395  -1.740   9.044
  278   2HE   LYS  38           HE2      LYS  38   3.326  -0.432   9.576
  279   1HZ   LYS  38          1HZ       LYS  38   4.255  -2.694  11.228
  280   2HZ   LYS  38          2HZ       LYS  38   4.834  -1.099  11.297
  281   3HZ   LYS  38          3HZ       LYS  38   3.230  -1.440  11.738
  282    H    VAL  39           H        VAL  39   1.085  -7.890   7.607
  283    HA   VAL  39           HA       VAL  39   3.435  -7.606   5.938
  284    HB   VAL  39           HB       VAL  39   2.248  -9.534   5.749
  285   1HG1  VAL  39          1HG1      VAL  39  -0.170  -7.941   4.903
  286   2HG1  VAL  39          2HG1      VAL  39  -0.014  -9.705   4.853
  287   3HG1  VAL  39          3HG1      VAL  39   0.016  -8.857   6.408
  288   1HG2  VAL  39          3HG2      VAL  39   1.711  -7.905   3.243
  289   2HG2  VAL  39          1HG2      VAL  39   3.215  -8.765   3.614
  290   3HG2  VAL  39          2HG2      VAL  39   1.715  -9.673   3.355
  291    H    VAL  40           H        VAL  40   0.138  -6.235   5.498
  292    HA   VAL  40           HA       VAL  40   1.253  -4.525   3.347
  293    HB   VAL  40           HB       VAL  40  -1.683  -4.846   4.043
  294   1HG1  VAL  40          3HG1      VAL  40  -1.082  -2.909   2.643
  295   2HG1  VAL  40          1HG1      VAL  40  -0.234  -3.985   1.519
  296   3HG1  VAL  40          2HG1      VAL  40  -1.991  -4.112   1.714
  297   1HG2  VAL  40          3HG2      VAL  40  -0.096  -6.348   1.916
  298   2HG2  VAL  40          1HG2      VAL  40  -0.771  -7.075   3.384
  299   3HG2  VAL  40          2HG2      VAL  40  -1.852  -6.414   2.145
  300    H    GLU  41           H        GLU  41   2.302  -3.041   4.057
  301    HA   GLU  41           HA       GLU  41   1.039  -0.813   5.564
  302   1HB   GLU  41          1HB       GLU  41   3.301  -1.560   6.195
  303   2HB   GLU  41          2HB       GLU  41   3.857  -1.240   4.544
  304   1HG   GLU  41          1HG       GLU  41   3.459   1.131   4.813
  305   2HG   GLU  41          2HG       GLU  41   2.726   0.866   6.404
  306    H    LEU  42           H        LEU  42  -0.464  -0.819   3.798
  307    HA   LEU  42           HA       LEU  42   0.372   0.440   1.256
  308   1HB   LEU  42          1HB       LEU  42  -1.786  -1.236   2.088
  309   2HB   LEU  42          2HB       LEU  42  -2.465   0.310   1.551
  310    HG   LEU  42           HG       LEU  42  -0.545  -1.383  -0.079
  311   1HD1  LEU  42          1HD1      LEU  42  -3.565  -1.016  -0.256
  312   2HD1  LEU  42          2HD1      LEU  42  -2.572  -1.935  -1.400
  313   3HD1  LEU  42          3HD1      LEU  42  -2.736  -2.489   0.275
  314   1HD2  LEU  42          3HD2      LEU  42  -2.242   0.996  -0.876
  315   2HD2  LEU  42          1HD2      LEU  42  -0.482   1.003  -0.680
  316   3HD2  LEU  42          2HD2      LEU  42  -1.227   0.024  -1.955
  317    H    GLY  43           H        GLY  43   0.148   2.516   0.851
  318   1HA   GLY  43          1HA       GLY  43  -1.837   4.275   1.239
  319   2HA   GLY  43          2HA       GLY  43  -1.049   4.349   2.825
  320    H    CYS  44           H        CYS  44  -0.422   6.441   2.636
  321    HA   CYS  44           HA       CYS  44   1.551   7.151   0.496
  322   1HB   CYS  44          1HB       CYS  44  -0.984   8.551   1.314
  323   2HB   CYS  44          2HB       CYS  44   0.343   9.406   0.507
  324    H    ALA  45           H        ALA  45   3.161   8.278   0.901
  325    HA   ALA  45           HA       ALA  45   3.335  10.185   3.135
  326   1HB   ALA  45          1HB       ALA  45   5.257   7.882   2.876
  327   2HB   ALA  45          2HB       ALA  45   5.444   9.272   3.959
  328   3HB   ALA  45          3HB       ALA  45   4.085   8.155   4.177
  329    H    ALA  46           H        ALA  46   5.856  10.975   3.018
  330    HA   ALA  46           HA       ALA  46   6.294  12.065   0.339
  331   1HB   ALA  46          1HB       ALA  46   7.757  12.508   2.922
  332   2HB   ALA  46          2HB       ALA  46   8.064  13.365   1.401
  333   3HB   ALA  46          3HB       ALA  46   6.495  13.527   2.209
  334    H    THR  47           H        THR  47   7.746   9.499   2.244
  335    HA   THR  47           HA       THR  47  10.045   9.334   0.334
  336    HB   THR  47           HB       THR  47  10.903  10.490   2.246
  337    HG1  THR  47           HG1      THR  47  12.578   8.919   2.676
  338   1HG2  THR  47          1HG2      THR  47  10.058   8.183   3.963
  339   2HG2  THR  47          2HG2      THR  47  11.108   9.531   4.435
  340   3HG2  THR  47          3HG2      THR  47   9.416   9.834   4.005
  341    H    CYS  48           H        CYS  48  10.737   7.372  -0.228
  342    HA   CYS  48           HA       CYS  48   9.149   5.019   0.603
  343   1HB   CYS  48          1HB       CYS  48   9.524   5.476  -1.821
  344   2HB   CYS  48          2HB       CYS  48  11.264   5.277  -1.558
  345    HA   PRO  49           HA       PRO  49  13.057   3.473   2.621
  346   1HB   PRO  49          1HB       PRO  49  14.136   6.203   3.421
  347   2HB   PRO  49          2HB       PRO  49  15.004   4.663   3.302
  348   1HG   PRO  49          1HG       PRO  49  15.204   6.370   1.269
  349   2HG   PRO  49          2HG       PRO  49  14.901   4.664   0.899
  350   1HD   PRO  49          2HD       PRO  49  12.934   6.976   0.949
  351   2HD   PRO  49          1HD       PRO  49  13.043   5.639  -0.209
  352    H    SER  50           H        SER  50  11.149   3.008   3.382
  353    HA   SER  50           HA       SER  50  11.455   2.845   6.246
  354   1HB   SER  50          1HB       SER  50   8.885   3.957   5.111
  355   2HB   SER  50          2HB       SER  50   8.926   3.025   6.617
  356    HG   SER  50           HG       SER  50   9.203   5.313   6.982
  357    H    LYS  51           H        LYS  51  10.830   0.816   6.894
  358    HA   LYS  51           HA       LYS  51  10.706  -1.457   6.653
  359   1HB   LYS  51          1HB       LYS  51   8.260  -0.560   5.319
  360   2HB   LYS  51          2HB       LYS  51   8.697  -2.276   5.348
  361   1HG   LYS  51          1HG       LYS  51   8.718  -0.679   7.880
  362   2HG   LYS  51          2HG       LYS  51   7.187  -1.277   7.217
  363   1HD   LYS  51          1HD       LYS  51   8.324  -3.586   7.157
  364   2HD   LYS  51          2HD       LYS  51   9.558  -2.867   8.206
  365   1HE   LYS  51           HE1      LYS  51   7.926  -2.385   9.914
  366   2HE   LYS  51           HE2      LYS  51   6.591  -2.841   8.842
  367   1HZ   LYS  51          1HZ       LYS  51   8.724  -4.647   9.823
  368   2HZ   LYS  51          2HZ       LYS  51   7.124  -4.595  10.390
  369   3HZ   LYS  51          3HZ       LYS  51   7.445  -5.085   8.796
  370    H    LYS  52           H        LYS  52  12.368  -0.109   4.719
  371    HA   LYS  52           HA       LYS  52  12.304  -1.390   2.132
  372   1HB   LYS  52          1HB       LYS  52  14.514  -0.394   1.809
  373   2HB   LYS  52          2HB       LYS  52  13.343   0.792   2.408
  374   1HG   LYS  52          1HG       LYS  52  15.306  -0.569   4.228
  375   2HG   LYS  52          2HG       LYS  52  15.721   0.887   3.309
  376   1HD   LYS  52          1HD       LYS  52  13.891   2.108   4.431
  377   2HD   LYS  52          2HD       LYS  52  13.504   0.652   5.365
  378   1HE   LYS  52           HE1      LYS  52  15.736   0.682   6.367
  379   2HE   LYS  52           HE2      LYS  52  16.162   2.107   5.405
  380   1HZ   LYS  52          1HZ       LYS  52  14.007   1.959   7.427
  381   2HZ   LYS  52          2HZ       LYS  52  15.520   2.702   7.634
  382   3HZ   LYS  52          3HZ       LYS  52  14.415   3.326   6.505
  383    HA   PRO  53           HA       PRO  53  14.886  -4.900   2.986
  384   1HB   PRO  53          1HB       PRO  53  14.177  -5.805   5.754
  385   2HB   PRO  53          2HB       PRO  53  15.765  -5.780   4.968
  386   1HG   PRO  53          1HG       PRO  53  15.152  -3.979   6.901
  387   2HG   PRO  53          2HG       PRO  53  16.135  -3.504   5.506
  388   1HD   PRO  53          2HD       PRO  53  13.151  -3.087   5.951
  389   2HD   PRO  53          1HD       PRO  53  14.347  -1.926   5.349
  390    OH   TYR  54           OH       TYR  54  10.000  -9.104   9.780
  391    H    TYR  54           H        TYR  54  11.665  -4.441   4.064
  392    HA   TYR  54           HA       TYR  54  11.038  -7.289   4.267
  393   1HB   TYR  54          1HB       TYR  54   9.981  -4.920   5.366
  394   2HB   TYR  54          2HB       TYR  54   8.730  -6.013   4.748
  395    HD1  TYR  54           HD2      TYR  54   9.994  -8.714   5.222
  396    HD2  TYR  54           HD1      TYR  54   9.872  -5.119   7.642
  397    HE1  TYR  54           HE2      TYR  54   9.984 -10.124   7.305
  398    HE2  TYR  54           HE1      TYR  54   9.901  -6.517   9.726
  399    HH   TYR  54           HH       TYR  54  10.012 -10.052   9.574
  400    H    GLU  55           H        GLU  55  11.435  -7.806   2.224
  401    HA   GLU  55           HA       GLU  55  10.863  -8.788   0.254
  402   1HB   GLU  55          1HB       GLU  55   8.267  -8.800   1.562
  403   2HB   GLU  55          2HB       GLU  55   8.602  -9.564  -0.002
  404   1HG   GLU  55          1HG       GLU  55  10.237 -11.001   0.921
  405   2HG   GLU  55          2HG       GLU  55  10.386 -10.026   2.392
  406    H    GLU  56           H        GLU  56   7.753  -7.290  -0.072
  407    HA   GLU  56           HA       GLU  56   8.676  -6.024  -2.594
  408   1HB   GLU  56          1HB       GLU  56   5.901  -6.730  -1.599
  409   2HB   GLU  56          2HB       GLU  56   6.260  -5.973  -3.160
  410   1HG   GLU  56          1HG       GLU  56   7.516  -7.915  -3.876
  411   2HG   GLU  56          2HG       GLU  56   7.363  -8.655  -2.274
  412    H    VAL  57           H        VAL  57   9.703  -4.394  -1.557
  413    HA   VAL  57           HA       VAL  57   8.087  -2.200  -0.381
  414    HB   VAL  57           HB       VAL  57  11.046  -2.308  -0.782
  415   1HG1  VAL  57          1HG1      VAL  57   9.258  -0.463   0.836
  416   2HG1  VAL  57          2HG1      VAL  57  11.030  -0.447   0.828
  417   3HG1  VAL  57          3HG1      VAL  57  10.134  -0.026  -0.641
  418   1HG2  VAL  57          1HG2      VAL  57  10.264  -4.035   0.802
  419   2HG2  VAL  57          2HG2      VAL  57  11.100  -2.723   1.650
  420   3HG2  VAL  57          3HG2      VAL  57   9.331  -2.810   1.677
  421    H    THR  58           H        THR  58   6.883  -2.070  -2.184
  422    HA   THR  58           HA       THR  58   7.939  -0.977  -4.749
  423    HB   THR  58           HB       THR  58   5.457  -2.060  -5.274
  424    HG1  THR  58           HG1      THR  58   5.446  -4.103  -4.187
  425   1HG2  THR  58          1HG2      THR  58   8.116  -3.531  -5.301
  426   2HG2  THR  58          2HG2      THR  58   6.680  -3.972  -6.240
  427   3HG2  THR  58          3HG2      THR  58   7.522  -2.449  -6.571
  428    H    CYS  59           H        CYS  59   7.957   0.975  -4.426
  429    HA   CYS  59           HA       CYS  59   5.542   2.467  -3.527
  430   1HB   CYS  59          1HB       CYS  59   7.173   4.177  -2.790
  431   2HB   CYS  59          2HB       CYS  59   7.344   2.614  -1.971
  432    H    CYS  60           H        CYS  60   4.592   3.758  -4.880
  433    HA   CYS  60           HA       CYS  60   5.816   4.371  -7.537
  434   1HB   CYS  60          1HB       CYS  60   4.067   2.460  -7.228
  435   2HB   CYS  60          2HB       CYS  60   2.908   3.784  -7.019
  436    H    SER  61           H        SER  61   4.867   5.873  -8.795
  437    HA   SER  61           HA       SER  61   4.744   8.443  -7.317
  438   1HB   SER  61          1HB       SER  61   5.577   9.319  -9.540
  439   2HB   SER  61          2HB       SER  61   6.673   8.158  -8.772
  440    HG   SER  61           HG       SER  61   6.317   7.683 -11.025
  441    H    THR  62           H        THR  62   2.799   8.867  -6.893
  442    HA   THR  62           HA       THR  62   1.107  10.400  -7.149
  443    HB   THR  62           HB       THR  62   2.252  10.637  -9.829
  444    HG1  THR  62           HG1      THR  62   2.891  12.620  -8.811
  445   1HG2  THR  62          1HG2      THR  62   0.009  12.331  -8.701
  446   2HG2  THR  62          2HG2      THR  62   0.959  12.686 -10.153
  447   3HG2  THR  62          3HG2      THR  62  -0.103  11.271 -10.117
  448    H    ASP  63           H        ASP  63   0.890   8.775 -10.262
  449    HA   ASP  63           HA       ASP  63  -1.924   8.409 -10.309
  450   1HB   ASP  63          1HB       ASP  63  -1.501   6.856 -12.158
  451   2HB   ASP  63          2HB       ASP  63  -0.521   8.322 -12.328
  452    H    LYS  64           H        LYS  64  -3.291   6.998  -9.775
  453    HA   LYS  64           HA       LYS  64  -3.212   5.047  -7.837
  454   1HB   LYS  64          1HB       LYS  64  -5.228   4.120  -9.027
  455   2HB   LYS  64          2HB       LYS  64  -5.245   5.778  -8.403
  456   1HG   LYS  64          1HG       LYS  64  -4.888   6.659 -10.644
  457   2HG   LYS  64          2HG       LYS  64  -4.763   5.015 -11.294
  458   1HD   LYS  64          1HD       LYS  64  -6.933   5.927 -11.806
  459   2HD   LYS  64          2HD       LYS  64  -7.099   4.597 -10.647
  460   1HE   LYS  64           HE1      LYS  64  -8.643   6.361 -10.057
  461   2HE   LYS  64           HE2      LYS  64  -7.374   6.271  -8.824
  462   1HZ   LYS  64          1HZ       LYS  64  -7.489   8.192 -11.059
  463   2HZ   LYS  64          2HZ       LYS  64  -7.860   8.520  -9.434
  464   3HZ   LYS  64          3HZ       LYS  64  -6.274   8.106  -9.876
  465    H    CYS  65           H        CYS  65  -1.387   3.886  -7.911
  466    HA   CYS  65           HA       CYS  65  -0.924   1.947 -10.156
  467   1HB   CYS  65          1HB       CYS  65   0.596   3.816 -10.217
  468   2HB   CYS  65          2HB       CYS  65   0.873   3.712  -8.470
  469    H    ASN  66           H        ASN  66   0.675   2.243  -7.114
  470    HA   ASN  66           HA       ASN  66   1.450  -0.388  -6.863
  471   1HB   ASN  66          1HB       ASN  66   2.000   0.354  -4.510
  472   2HB   ASN  66          2HB       ASN  66   2.682   1.275  -5.861
  473   1HD2  ASN  66          2HD2      ASN  66   0.452   3.137  -3.044
  474   2HD2  ASN  66          1HD2      ASN  66   0.870   1.458  -2.946
  475    HA   PRO  67           HA       PRO  67  -2.785  -1.508  -5.685
  476   1HB   PRO  67          1HB       PRO  67  -2.999  -3.884  -6.930
  477   2HB   PRO  67          2HB       PRO  67  -2.817  -2.411  -7.899
  478   1HG   PRO  67          1HG       PRO  67  -0.671  -4.418  -7.093
  479   2HG   PRO  67          2HG       PRO  67  -1.000  -3.748  -8.700
  480   1HD   PRO  67          2HD       PRO  67   0.919  -2.696  -7.019
  481   2HD   PRO  67          1HD       PRO  67   0.043  -1.709  -8.202
  482    H    HIS  68           H        HIS  68  -0.190  -3.500  -4.774
  483    HA   HIS  68           HA       HIS  68   0.140  -4.825  -2.906
  484   1HB   HIS  68          1HB       HIS  68  -0.579  -3.949  -1.352
  485   2HB   HIS  68          2HB       HIS  68  -2.239  -3.835  -1.962
  486    HD2  HIS  68           HD2      HIS  68  -3.470  -4.859   0.141
  487    HE1  HIS  68           HE1      HIS  68  -2.071  -8.800  -0.305
  488    HE2  HIS  68           HE2      HIS  68  -3.854  -7.298   0.735
  489    HA   PRO  69           HA       PRO  69  -2.543  -8.708  -4.349
  490   1HB   PRO  69          1HB       PRO  69  -4.352  -7.792  -6.392
  491   2HB   PRO  69          2HB       PRO  69  -4.722  -8.629  -4.875
  492   1HG   PRO  69          1HG       PRO  69  -4.669  -5.668  -5.444
  493   2HG   PRO  69          2HG       PRO  69  -5.712  -6.573  -4.333
  494   1HD   PRO  69          2HD       PRO  69  -3.693  -5.185  -3.292
  495   2HD   PRO  69          1HD       PRO  69  -3.938  -6.844  -2.722
  496    H    LYS  70           H        LYS  70  -0.720  -9.218  -5.110
  497    HA   LYS  70           HA       LYS  70   0.417  -8.298  -7.637
  498   1HB   LYS  70          1HB       LYS  70   2.160 -10.030  -7.128
  499   2HB   LYS  70          2HB       LYS  70   1.978  -8.775  -5.890
  500   1HG   LYS  70          1HG       LYS  70   0.778 -10.295  -4.453
  501   2HG   LYS  70          2HG       LYS  70   0.773 -11.542  -5.713
  502   1HD   LYS  70          1HD       LYS  70   3.336 -10.433  -4.584
  503   2HD   LYS  70          2HD       LYS  70   2.472 -11.770  -3.807
  504   1HE   LYS  70           HE1      LYS  70   2.628 -13.052  -5.942
  505   2HE   LYS  70           HE2      LYS  70   3.600 -11.736  -6.622
  506   1HZ   LYS  70          3HZ       LYS  70   5.192 -12.046  -4.852
  507   2HZ   LYS  70          1HZ       LYS  70   4.260 -13.307  -4.201
  508   3HZ   LYS  70          2HZ       LYS  70   4.979 -13.485  -5.728
  509    H    GLN  71           H        GLN  71   0.441  -8.938  -9.429
  510    HA   GLN  71           HA       GLN  71  -1.242 -11.000 -10.480
  511   1HB   GLN  71          1HB       GLN  71   0.860  -9.163 -11.577
  512   2HB   GLN  71          2HB       GLN  71   0.300 -10.525 -12.564
  513   1HG   GLN  71          1HG       GLN  71  -2.081  -9.475 -11.680
  514   2HG   GLN  71          2HG       GLN  71  -1.089  -8.017 -11.839
  515   1HE2  GLN  71          2HE2      GLN  71  -1.233  -7.970 -15.342
  516   2HE2  GLN  71          1HE2      GLN  71  -0.848  -7.164 -13.858
  517    NH1  ARG  72           NH2      ARG  72  -0.196 -14.072  -8.388
  518    NH2  ARG  72           NH1      ARG  72  -2.403 -14.139  -7.910
  519    H    ARG  72           H        ARG  72  -0.694 -12.857 -11.647
  520    HA   ARG  72           HA       ARG  72   1.455 -14.515 -10.742
  521   1HB   ARG  72          1HB       ARG  72  -0.019 -14.706 -13.386
  522   2HB   ARG  72          2HB       ARG  72   0.975 -15.972 -12.642
  523   1HG   ARG  72          1HG       ARG  72  -1.625 -14.852 -11.569
  524   2HG   ARG  72          2HG       ARG  72  -1.386 -16.444 -12.309
  525   1HD   ARG  72          1HD       ARG  72  -0.672 -17.341 -10.359
  526   2HD   ARG  72          2HD       ARG  72   0.421 -15.983 -10.043
  527    HE   ARG  72           HE       ARG  72  -2.423 -16.196  -9.245
  528   1HH1  ARG  72          1HH2      ARG  72   0.623 -14.488  -8.781
  529   2HH1  ARG  72          2HH2      ARG  72  -0.118 -13.249  -7.824
  530   1HH2  ARG  72          1HH1      ARG  72  -3.287 -14.604  -7.942
  531   2HH2  ARG  72          2HH1      ARG  72  -2.289 -13.319  -7.349
  532    HA   PRO  73           HA       PRO  73   4.586 -12.720 -13.449
  533   1HB   PRO  73          1HB       PRO  73   4.174 -10.711 -15.233
  534   2HB   PRO  73          2HB       PRO  73   3.943 -12.406 -15.695
  535   1HG   PRO  73          1HG       PRO  73   1.852 -10.374 -14.846
  536   2HG   PRO  73          2HG       PRO  73   1.811 -11.492 -16.220
  537   1HD   PRO  73          2HD       PRO  73   0.553 -12.070 -13.867
  538   2HD   PRO  73          1HD       PRO  73   1.280 -13.338 -14.868
  539    H    GLY  74           H        GLY  74   4.568 -12.175 -11.200
  540   1HA   GLY  74          1HA       GLY  74   5.676 -10.697  -9.765
  541   2HA   GLY  74          2HA       GLY  74   5.399  -9.381 -10.919
  542   1H    LYS  75          3H        LYS  75   0.673   1.552   5.276
  543   2H    LYS  75          1H        LYS  75   0.204   3.174   5.103
  544   3H    LYS  75          2H        LYS  75   1.727   2.796   5.752
  545    HA   LYS  75           HA       LYS  75   0.725   1.781   7.657
  546   1HB   LYS  75          1HB       LYS  75  -0.108   4.601   6.961
  547   2HB   LYS  75          2HB       LYS  75  -0.301   3.915   8.584
  548   1HG   LYS  75          1HG       LYS  75   1.960   3.909   9.002
  549   2HG   LYS  75          2HG       LYS  75   2.384   3.679   7.297
  550   1HD   LYS  75          1HD       LYS  75   1.674   6.022   6.840
  551   2HD   LYS  75          2HD       LYS  75   1.357   6.238   8.570
  552   1HE   LYS  75           HE1      LYS  75   4.062   5.300   7.621
  553   2HE   LYS  75           HE2      LYS  75   3.652   7.024   7.601
  554   1HZ   LYS  75          1HZ       LYS  75   3.491   5.230   9.950
  555   2HZ   LYS  75          2HZ       LYS  75   4.701   6.387   9.662
  556   3HZ   LYS  75          3HZ       LYS  75   3.099   6.882   9.930
  557    H    HIS  76           H        HIS  76  -1.658   2.905   5.393
  558    HA   HIS  76           HA       HIS  76  -3.945   2.512   7.178
  559   1HB   HIS  76          1HB       HIS  76  -3.814   3.338   4.259
  560   2HB   HIS  76          2HB       HIS  76  -5.240   3.419   5.307
  561    HD2  HIS  76           HD2      HIS  76  -1.927   5.185   4.613
  562    HE1  HIS  76           HE1      HIS  76  -3.910   7.599   7.436
  563    HE2  HIS  76           HE2      HIS  76  -1.820   7.344   5.975
  564    CH2  TRP  77           CH2      TRP  77 -12.012  -0.403   6.318
  565    H    TRP  77           H        TRP  77  -4.885   0.879   7.476
  566    HA   TRP  77           HA       TRP  77  -5.796  -1.243   7.416
  567   1HB   TRP  77          1HB       TRP  77  -6.446  -0.163   4.658
  568   2HB   TRP  77          2HB       TRP  77  -7.115  -1.678   5.288
  569    HD1  TRP  77           HD1      TRP  77  -6.920   1.897   6.856
  570    HE1  TRP  77           HE1      TRP  77  -9.290   2.709   7.229
  571    HE3  TRP  77           HE3      TRP  77  -9.303  -2.335   5.469
  572    HZ2  TRP  77           HZ2      TRP  77 -11.913   1.639   7.057
  573    HZ3  TRP  77           HZ3      TRP  77 -11.802  -2.426   5.579
  574    HH2  TRP  77           HH2      TRP  77 -13.096  -0.452   6.360
  575    H    VAL  78           H        VAL  78  -4.492  -2.718   7.855
  576    HA   VAL  78           HA       VAL  78  -2.678  -3.840   5.872
  577    HB   VAL  78           HB       VAL  78  -2.009  -3.625   8.132
  578   1HG1  VAL  78          3HG1      VAL  78  -3.920  -4.178   9.391
  579   2HG1  VAL  78          1HG1      VAL  78  -3.872  -5.847   8.798
  580   3HG1  VAL  78          2HG1      VAL  78  -2.552  -5.225   9.804
  581   1HG2  VAL  78          1HG2      VAL  78  -0.910  -5.147   6.520
  582   2HG2  VAL  78          2HG2      VAL  78  -0.883  -5.828   8.156
  583   3HG2  VAL  78          3HG2      VAL  78  -2.044  -6.435   6.963
  584    OH   TYR  79           OH       TYR  79  -8.109  -0.511   1.281
  585    H    TYR  79           H        TYR  79  -4.173  -4.307   4.230
  586    HA   TYR  79           HA       TYR  79  -6.330  -6.227   4.497
  587   1HB   TYR  79          1HB       TYR  79  -4.985  -5.373   1.939
  588   2HB   TYR  79          2HB       TYR  79  -6.614  -6.041   2.144
  589    HD1  TYR  79           HD2      TYR  79  -8.428  -4.562   3.282
  590    HD2  TYR  79           HD1      TYR  79  -4.534  -3.127   2.018
  591    HE1  TYR  79           HE2      TYR  79  -9.424  -2.333   2.722
  592    HE2  TYR  79           HE1      TYR  79  -5.545  -0.912   1.446
  593    HH   TYR  79           HH       TYR  79  -9.058  -0.467   1.479
  594    OH   TYR  80           OH       TYR  80  -1.823 -10.333  10.143
  595    H    TYR  80           H        TYR  80  -5.527  -8.046   5.375
  596    HA   TYR  80           HA       TYR  80  -4.889  -9.990   3.278
  597   1HB   TYR  80          1HB       TYR  80  -2.957 -10.923   4.224
  598   2HB   TYR  80          2HB       TYR  80  -2.667  -9.176   4.290
  599    HD1  TYR  80           HD2      TYR  80  -3.008  -7.936   6.475
  600    HD2  TYR  80           HD1      TYR  80  -2.965 -12.263   6.193
  601    HE1  TYR  80           HE2      TYR  80  -2.400  -8.093   8.910
  602    HE2  TYR  80           HE1      TYR  80  -2.383 -12.416   8.624
  603    HH   TYR  80           HH       TYR  80  -1.764  -9.441  10.518
   
  Start of MODEL           4
 Raw file had 603 H/Q atoms
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1  -0.031   9.835  -3.262
    2   2H    ILE   1          2H        ILE   1   0.543  11.395  -2.910
    3   3H    ILE   1          3H        ILE   1  -0.684  10.706  -1.958
    4    HA   ILE   1           HA       ILE   1  -1.586  12.355  -3.463
    5    HB   ILE   1           HB       ILE   1  -1.490  12.126  -5.846
    6   1HG1  ILE   1          1HG1      ILE   1   0.806  10.262  -5.532
    7   2HG1  ILE   1          2HG1      ILE   1  -0.844   9.703  -5.858
    8   1HG2  ILE   1          3HG2      ILE   1  -0.083  13.702  -4.543
    9   2HG2  ILE   1          1HG2      ILE   1   1.143  12.439  -4.339
   10   3HG2  ILE   1          2HG2      ILE   1   0.796  13.085  -5.953
   11   1HD1  ILE   1          3HD1      ILE   1  -0.903  11.074  -7.909
   12   2HD1  ILE   1          1HD1      ILE   1   0.747  11.632  -7.585
   13   3HD1  ILE   1          2HD1      ILE   1   0.444   9.923  -7.943
   14    H    VAL   2           H        VAL   2  -3.073  11.277  -5.731
   15    HA   VAL   2           HA       VAL   2  -5.289   9.981  -4.380
   16    HB   VAL   2           HB       VAL   2  -4.830  10.417  -7.342
   17   1HG1  VAL   2          3HG1      VAL   2  -6.621   8.778  -6.878
   18   2HG1  VAL   2          1HG1      VAL   2  -7.389   9.930  -5.773
   19   3HG1  VAL   2          2HG1      VAL   2  -7.288  10.296  -7.504
   20   1HG2  VAL   2          1HG2      VAL   2  -4.739  12.534  -6.192
   21   2HG2  VAL   2          2HG2      VAL   2  -6.231  12.381  -7.137
   22   3HG2  VAL   2          3HG2      VAL   2  -6.272  12.178  -5.377
   23    H    CYS   3           H        CYS   3  -4.396   7.972  -3.546
   24    HA   CYS   3           HA       CYS   3  -4.151   5.754  -5.372
   25   1HB   CYS   3          1HB       CYS   3  -1.827   5.215  -4.959
   26   2HB   CYS   3          2HB       CYS   3  -2.155   6.575  -6.046
   27    H    HIS   4           H        HIS   4  -3.539   3.840  -4.425
   28    HA   HIS   4           HA       HIS   4  -5.173   2.705  -2.812
   29   1HB   HIS   4          1HB       HIS   4  -2.318   2.108  -3.140
   30   2HB   HIS   4          2HB       HIS   4  -3.315   1.136  -2.043
   31    HD2  HIS   4           HD2      HIS   4  -2.657   1.606  -5.711
   32    HE1  HIS   4           HE1      HIS   4  -6.583   0.119  -5.708
   33    HE2  HIS   4           HE2      HIS   4  -4.607   0.828  -7.154
   34    H    THR   5           H        THR   5  -6.129   3.810  -1.294
   35    HA   THR   5           HA       THR   5  -4.578   4.755   1.057
   36    HB   THR   5           HB       THR   5  -5.997   6.453  -0.107
   37    HG1  THR   5           HG1      THR   5  -6.880   7.182   1.934
   38   1HG2  THR   5          3HG2      THR   5  -7.971   5.115  -0.694
   39   2HG2  THR   5          1HG2      THR   5  -8.333   4.893   1.026
   40   3HG2  THR   5          2HG2      THR   5  -8.407   6.510   0.307
   41    H    THR   6           H        THR   6  -7.247   2.850   0.191
   42    HA   THR   6           HA       THR   6  -8.884   1.708   1.334
   43    HB   THR   6           HB       THR   6  -6.888   0.287   0.655
   44    HG1  THR   6           HG1      THR   6  -8.396  -1.397   1.238
   45   1HG2  THR   6          1HG2      THR   6  -6.842  -0.331   3.532
   46   2HG2  THR   6          2HG2      THR   6  -6.189  -1.305   2.206
   47   3HG2  THR   6          3HG2      THR   6  -5.535   0.310   2.523
   48    H    ALA   7           H        ALA   7  -7.828   3.979   3.116
   49    HA   ALA   7           HA       ALA   7  -8.176   3.295   5.860
   50   1HB   ALA   7          3HB       ALA   7  -7.368   5.482   5.037
   51   2HB   ALA   7          1HB       ALA   7  -8.960   5.803   4.328
   52   3HB   ALA   7          2HB       ALA   7  -8.781   5.683   6.087
   53    H    THR   8           H        THR   8 -10.504   3.586   3.369
   54    HA   THR   8           HA       THR   8 -12.820   3.058   5.125
   55    HB   THR   8           HB       THR   8 -13.922   2.946   2.778
   56    HG1  THR   8           HG1      THR   8 -12.617   3.940   1.139
   57   1HG2  THR   8          1HG2      THR   8 -12.581   5.546   3.607
   58   2HG2  THR   8          2HG2      THR   8 -13.961   5.396   2.506
   59   3HG2  THR   8          3HG2      THR   8 -14.136   4.948   4.211
   60    H    SER   9           H        SER   9 -13.985   1.183   5.034
   61    HA   SER   9           HA       SER   9 -12.493  -1.278   4.769
   62   1HB   SER   9          1HB       SER   9 -14.806  -2.284   5.299
   63   2HB   SER   9          2HB       SER   9 -14.129  -1.189   6.515
   64    HG   SER   9           HG       SER   9 -16.340  -0.678   5.998
   65    HA   PRO  10           HA       PRO  10 -13.513  -2.092   0.628
   66   1HB   PRO  10          1HB       PRO  10 -14.899  -0.491  -1.081
   67   2HB   PRO  10          2HB       PRO  10 -15.734  -1.694  -0.084
   68   1HG   PRO  10          1HG       PRO  10 -15.394   1.286   0.433
   69   2HG   PRO  10          2HG       PRO  10 -16.861   0.303   0.580
   70   1HD   PRO  10          2HD       PRO  10 -15.317   0.930   2.745
   71   2HD   PRO  10          1HD       PRO  10 -16.204  -0.601   2.637
   72    H    ILE  11           H        ILE  11 -11.623  -1.906   0.019
   73    HA   ILE  11           HA       ILE  11  -9.694  -0.246  -0.551
   74    HB   ILE  11           HB       ILE  11 -10.835  -1.911  -2.750
   75   1HG1  ILE  11          1HG1      ILE  11  -8.609  -2.646  -0.849
   76   2HG1  ILE  11          2HG1      ILE  11 -10.297  -2.929  -0.389
   77   1HG2  ILE  11          1HG2      ILE  11  -8.037  -0.828  -2.227
   78   2HG2  ILE  11          2HG2      ILE  11  -8.487  -1.942  -3.530
   79   3HG2  ILE  11          3HG2      ILE  11  -9.129  -0.290  -3.515
   80   1HD1  ILE  11          3HD1      ILE  11 -10.600  -4.356  -2.382
   81   2HD1  ILE  11          1HD1      ILE  11  -8.913  -4.073  -2.842
   82   3HD1  ILE  11          2HD1      ILE  11  -9.290  -4.957  -1.353
   83    H    SER  12           H        SER  12  -9.775   1.729  -0.659
   84    HA   SER  12           HA       SER  12 -10.911   3.098  -3.048
   85   1HB   SER  12          1HB       SER  12 -10.723   4.103  -0.195
   86   2HB   SER  12          2HB       SER  12 -10.969   5.173  -1.587
   87    HG   SER  12           HG       SER  12 -12.969   4.509  -0.616
   88    H    ALA  13           H        ALA  13  -9.677   4.756  -3.890
   89    HA   ALA  13           HA       ALA  13  -6.810   4.877  -3.045
   90   1HB   ALA  13          3HB       ALA  13  -6.968   3.382  -4.926
   91   2HB   ALA  13          1HB       ALA  13  -7.838   4.608  -5.865
   92   3HB   ALA  13          2HB       ALA  13  -6.151   4.882  -5.397
   93    H    VAL  14           H        VAL  14  -7.336   6.766  -1.929
   94    HA   VAL  14           HA       VAL  14  -8.077   9.120  -3.622
   95    HB   VAL  14           HB       VAL  14  -9.106  10.224  -1.846
   96   1HG1  VAL  14          1HG1      VAL  14 -10.330   7.682  -2.791
   97   2HG1  VAL  14          2HG1      VAL  14 -11.193   9.042  -2.052
   98   3HG1  VAL  14          3HG1      VAL  14 -10.329   9.267  -3.583
   99   1HG2  VAL  14          1HG2      VAL  14  -8.279   9.066   0.153
  100   2HG2  VAL  14          2HG2      VAL  14 -10.047   9.003   0.045
  101   3HG2  VAL  14          3HG2      VAL  14  -9.082   7.577  -0.378
  102    H    THR  15           H        THR  15  -7.658  11.137  -1.966
  103    HA   THR  15           HA       THR  15  -4.851  11.655  -2.399
  104    HB   THR  15           HB       THR  15  -5.475  13.905  -1.332
  105    HG1  THR  15           HG1      THR  15  -7.772  14.178  -1.057
  106   1HG2  THR  15          1HG2      THR  15  -7.108  13.027  -3.687
  107   2HG2  THR  15          2HG2      THR  15  -6.790  14.696  -3.185
  108   3HG2  THR  15          3HG2      THR  15  -5.454  13.661  -3.716
  109    H    CYS  16           H        CYS  16  -3.692  10.305  -1.196
  110    HA   CYS  16           HA       CYS  16  -3.097  11.043   1.564
  111   1HB   CYS  16          1HB       CYS  16  -2.449   8.845   0.683
  112   2HB   CYS  16          2HB       CYS  16  -1.503   9.618  -0.600
  113    HA   PRO  17           HA       PRO  17  -0.764  14.824   0.548
  114   1HB   PRO  17          1HB       PRO  17   1.115  13.671   2.638
  115   2HB   PRO  17          2HB       PRO  17   0.589  15.349   2.431
  116   1HG   PRO  17          1HG       PRO  17  -0.603  13.866   4.294
  117   2HG   PRO  17          2HG       PRO  17  -1.611  14.881   3.249
  118   1HD   PRO  17          2HD       PRO  17  -1.148  11.898   3.127
  119   2HD   PRO  17          1HD       PRO  17  -2.634  12.809   2.806
  120    HA   PRO  18           HA       PRO  18   2.406  13.298  -2.238
  121   1HB   PRO  18          1HB       PRO  18   3.183  15.812  -3.123
  122   2HB   PRO  18          2HB       PRO  18   1.858  14.858  -3.810
  123   1HG   PRO  18          1HG       PRO  18   1.724  17.094  -1.769
  124   2HG   PRO  18          2HG       PRO  18   0.678  16.804  -3.169
  125   1HD   PRO  18          2HD       PRO  18  -0.128  16.065  -0.697
  126   2HD   PRO  18          1HD       PRO  18  -0.484  15.035  -2.094
  127    H    GLY  19           H        GLY  19   4.603  13.573  -2.555
  128   1HA   GLY  19          1HA       GLY  19   6.662  14.803  -1.332
  129   2HA   GLY  19          2HA       GLY  19   6.121  13.698  -0.057
  130    H    GLU  20           H        GLU  20   8.513  13.027  -0.735
  131    HA   GLU  20           HA       GLU  20   8.829  11.598  -3.228
  132   1HB   GLU  20          1HB       GLU  20  10.726  11.821  -1.003
  133   2HB   GLU  20          2HB       GLU  20  11.017  11.041  -2.566
  134   1HG   GLU  20          1HG       GLU  20  11.827  13.054  -3.165
  135   2HG   GLU  20          2HG       GLU  20  10.123  13.495  -3.361
  136    H    ASN  21           H        ASN  21   7.199  10.437  -0.604
  137    HA   ASN  21           HA       ASN  21   7.613   7.648  -1.582
  138   1HB   ASN  21          1HB       ASN  21   8.280   7.890   0.750
  139   2HB   ASN  21          2HB       ASN  21   6.602   8.301   1.144
  140   1HD2  ASN  21          2HD2      ASN  21   6.061   4.942   1.785
  141   2HD2  ASN  21          1HD2      ASN  21   6.139   6.570   2.371
  142    H    LEU  22           H        LEU  22   5.631  10.140  -2.106
  143    HA   LEU  22           HA       LEU  22   3.509  10.072  -3.169
  144   1HB   LEU  22          1HB       LEU  22   3.941   8.826  -5.255
  145   2HB   LEU  22          2HB       LEU  22   4.865  10.254  -4.756
  146    HG   LEU  22           HG       LEU  22   6.040   8.313  -5.961
  147   1HD1  LEU  22          3HD1      LEU  22   7.181  10.195  -5.334
  148   2HD1  LEU  22          1HD1      LEU  22   7.291   9.648  -3.652
  149   3HD1  LEU  22          2HD1      LEU  22   8.129   8.753  -4.931
  150   1HD2  LEU  22          3HD2      LEU  22   6.232   7.207  -3.149
  151   2HD2  LEU  22          1HD2      LEU  22   5.446   6.411  -4.524
  152   3HD2  LEU  22          2HD2      LEU  22   7.194   6.694  -4.545
  153    H    CYS  23           H        CYS  23   3.745   6.939  -4.389
  154    HA   CYS  23           HA       CYS  23   1.351   6.147  -2.825
  155   1HB   CYS  23          1HB       CYS  23   2.137   5.392  -5.631
  156   2HB   CYS  23          2HB       CYS  23   0.670   4.882  -4.779
  157    OH   TYR  24           OH       TYR  24  -2.850   6.402   0.904
  158    H    TYR  24           H        TYR  24   2.671   5.301  -1.205
  159    HA   TYR  24           HA       TYR  24   3.812   3.013  -0.658
  160   1HB   TYR  24          1HB       TYR  24   1.484   2.301   0.383
  161   2HB   TYR  24          2HB       TYR  24   2.477   3.614   1.039
  162    HD1  TYR  24           HD1      TYR  24   0.483   4.861  -1.768
  163    HD2  TYR  24           HD2      TYR  24   0.476   3.747   2.399
  164    HE1  TYR  24           HE1      TYR  24  -1.585   6.235  -1.409
  165    HE2  TYR  24           HE2      TYR  24  -1.603   5.064   2.776
  166    HH   TYR  24           HH       TYR  24  -3.106   6.336   1.837
  167    NH1  ARG  25           NH2      ARG  25   4.618   0.144   4.690
  168    NH2  ARG  25           NH1      ARG  25   2.920  -1.330   4.469
  169    H    ARG  25           H        ARG  25   3.253   0.125  -2.221
  170    HA   ARG  25           HA       ARG  25   5.356   1.497  -1.037
  171   1HB   ARG  25          1HB       ARG  25   4.069   1.747   1.012
  172   2HB   ARG  25          2HB       ARG  25   3.727   0.008   1.027
  173   1HG   ARG  25          1HG       ARG  25   6.580   0.753   1.072
  174   2HG   ARG  25          2HG       ARG  25   5.636   1.199   2.504
  175   1HD   ARG  25          1HD       ARG  25   5.940  -1.574   1.316
  176   2HD   ARG  25          2HD       ARG  25   6.643  -0.986   2.833
  177    HE   ARG  25           HE       ARG  25   4.163  -2.219   2.566
  178   1HH1  ARG  25          1HH2      ARG  25   5.536   0.458   4.449
  179   2HH1  ARG  25          2HH2      ARG  25   4.144   0.542   5.476
  180   1HH2  ARG  25          1HH1      ARG  25   2.521  -2.150   4.057
  181   2HH2  ARG  25          2HH1      ARG  25   2.483  -0.908   5.264
  182    H    LYS  26           H        LYS  26   3.398  -1.349  -0.590
  183    HA   LYS  26           HA       LYS  26   3.485  -3.195  -2.231
  184   1HB   LYS  26          1HB       LYS  26   6.255  -2.972  -2.335
  185   2HB   LYS  26          2HB       LYS  26   5.340  -4.425  -2.772
  186   1HG   LYS  26          1HG       LYS  26   4.676  -1.641  -3.755
  187   2HG   LYS  26          2HG       LYS  26   5.693  -2.787  -4.646
  188   1HD   LYS  26          1HD       LYS  26   3.797  -4.318  -4.852
  189   2HD   LYS  26          2HD       LYS  26   2.779  -3.189  -3.943
  190   1HE   LYS  26           HE1      LYS  26   3.071  -1.474  -5.659
  191   2HE   LYS  26           HE2      LYS  26   4.219  -2.499  -6.535
  192   1HZ   LYS  26          3HZ       LYS  26   2.485  -4.126  -6.830
  193   2HZ   LYS  26          1HZ       LYS  26   1.384  -3.142  -5.990
  194   3HZ   LYS  26          2HZ       LYS  26   2.019  -2.626  -7.478
  195    H    MET  27           H        MET  27   5.099  -5.397  -1.512
  196    HA   MET  27           HA       MET  27   3.039  -6.372   0.361
  197   1HB   MET  27          1HB       MET  27   4.358  -7.325  -2.150
  198   2HB   MET  27          2HB       MET  27   3.726  -8.539  -1.026
  199   1HG   MET  27          1HG       MET  27   2.331  -7.629  -3.056
  200   2HG   MET  27          2HG       MET  27   1.586  -8.098  -1.519
  201   1HE   MET  27          1HE       MET  27   1.060  -6.263   0.373
  202   2HE   MET  27          2HE       MET  27  -0.192  -5.173  -0.247
  203   3HE   MET  27          3HE       MET  27  -0.251  -6.902  -0.632
  204    CH2  TRP  28           CH2      TRP  28   2.626  -4.324   5.262
  205    H    TRP  28           H        TRP  28   3.305  -7.949   1.796
  206    HA   TRP  28           HA       TRP  28   5.772  -9.538   1.901
  207   1HB   TRP  28          1HB       TRP  28   6.393  -9.132   4.109
  208   2HB   TRP  28          2HB       TRP  28   6.348  -7.597   3.224
  209    HD1  TRP  28           HD1      TRP  28   5.135  -9.232   6.322
  210    HE1  TRP  28           HE1      TRP  28   3.807  -7.554   7.703
  211    HE3  TRP  28           HE3      TRP  28   4.532  -5.698   2.749
  212    HZ2  TRP  28           HZ2      TRP  28   2.395  -5.144   7.249
  213    HZ3  TRP  28           HZ3      TRP  28   3.046  -3.724   3.222
  214    HH2  TRP  28           HH2      TRP  28   1.980  -3.475   5.457
  215    H    CYS  29           H        CYS  29   5.665 -11.335   3.327
  216    HA   CYS  29           HA       CYS  29   3.043 -12.623   3.281
  217   1HB   CYS  29          1HB       CYS  29   5.806 -13.523   4.072
  218   2HB   CYS  29          2HB       CYS  29   4.376 -14.553   4.246
  219    H    ASP  30           H        ASP  30   1.687 -12.898   4.840
  220    HA   ASP  30           HA       ASP  30   2.160 -12.331   7.657
  221   1HB   ASP  30          1HB       ASP  30  -0.076 -13.089   7.990
  222   2HB   ASP  30          2HB       ASP  30   0.004 -12.007   6.591
  223    H    ALA  31           H        ALA  31   4.126 -14.085   6.823
  224    HA   ALA  31           HA       ALA  31   5.165 -16.113   6.864
  225   1HB   ALA  31          3HB       ALA  31   4.976 -15.819   9.305
  226   2HB   ALA  31          1HB       ALA  31   3.381 -16.591   9.274
  227   3HB   ALA  31          2HB       ALA  31   4.825 -17.525   8.849
  228    H    PHE  32           H        PHE  32   1.780 -16.743   7.208
  229    HA   PHE  32           HA       PHE  32   1.680 -19.389   6.225
  230   1HB   PHE  32          1HB       PHE  32  -0.435 -17.259   5.818
  231   2HB   PHE  32          2HB       PHE  32  -0.669 -19.011   5.944
  232    HD1  PHE  32           HD2      PHE  32   0.525 -19.900   8.385
  233    HD2  PHE  32           HD1      PHE  32  -1.401 -16.117   7.536
  234    HE1  PHE  32           HE2      PHE  32  -0.204 -19.733  10.776
  235    HE2  PHE  32           HE1      PHE  32  -2.121 -15.936   9.929
  236    HZ   PHE  32           HZ       PHE  32  -1.521 -17.763  11.526
  237    H    CYS  33           H        CYS  33   0.657 -16.517   4.527
  238    HA   CYS  33           HA       CYS  33   1.116 -15.529   2.557
  239   1HB   CYS  33          1HB       CYS  33   3.428 -16.505   3.095
  240   2HB   CYS  33          2HB       CYS  33   3.138 -17.150   1.470
  241    H    SER  34           H        SER  34   0.522 -18.968   2.342
  242    HA   SER  34           HA       SER  34  -0.421 -18.879  -0.438
  243   1HB   SER  34          1HB       SER  34   0.746 -20.854   0.424
  244   2HB   SER  34          2HB       SER  34  -0.616 -21.150   1.519
  245    HG   SER  34           HG       SER  34  -0.847 -22.276  -0.508
  246    H    SER  35           H        SER  35  -2.180 -18.036  -0.884
  247    HA   SER  35           HA       SER  35  -4.263 -17.148  -0.986
  248   1HB   SER  35          1HB       SER  35  -6.175 -18.344  -0.315
  249   2HB   SER  35          2HB       SER  35  -4.989 -19.591  -0.740
  250    HG   SER  35           HG       SER  35  -6.084 -20.051   1.251
  251    NH1  ARG  36           NH2      ARG  36  -5.887 -20.755   7.449
  252    NH2  ARG  36           NH1      ARG  36  -3.872 -21.412   8.229
  253    H    ARG  36           H        ARG  36  -3.673 -17.801   2.399
  254    HA   ARG  36           HA       ARG  36  -4.607 -15.042   3.014
  255   1HB   ARG  36          1HB       ARG  36  -4.364 -15.779   5.378
  256   2HB   ARG  36          2HB       ARG  36  -5.550 -16.713   4.450
  257   1HG   ARG  36          1HG       ARG  36  -3.811 -18.529   4.231
  258   2HG   ARG  36          2HG       ARG  36  -2.810 -17.614   5.372
  259   1HD   ARG  36          1HD       ARG  36  -4.747 -17.629   6.979
  260   2HD   ARG  36          2HD       ARG  36  -5.610 -18.696   5.858
  261    HE   ARG  36           HE       ARG  36  -2.987 -19.673   6.677
  262   1HH1  ARG  36          1HH2      ARG  36  -6.437 -20.234   6.797
  263   2HH1  ARG  36          2HH2      ARG  36  -6.315 -21.461   8.012
  264   1HH2  ARG  36          1HH1      ARG  36  -2.874 -21.396   8.182
  265   2HH2  ARG  36          2HH1      ARG  36  -4.336 -22.108   8.777
  266    H    GLY  37           H        GLY  37  -3.147 -13.879   2.082
  267   1HA   GLY  37          1HA       GLY  37  -0.290 -14.473   2.656
  268   2HA   GLY  37          2HA       GLY  37  -0.893 -14.041   1.047
  269    H    LYS  38           H        LYS  38  -0.883 -12.169   0.395
  270    HA   LYS  38           HA       LYS  38   1.141 -10.479   1.361
  271   1HB   LYS  38          1HB       LYS  38   0.643  -9.040  -0.481
  272   2HB   LYS  38          2HB       LYS  38   1.094 -10.724  -0.796
  273   1HG   LYS  38          1HG       LYS  38  -1.419 -11.156  -1.108
  274   2HG   LYS  38          2HG       LYS  38  -1.586  -9.394  -1.183
  275   1HD   LYS  38          1HD       LYS  38   0.035  -9.306  -3.014
  276   2HD   LYS  38          2HD       LYS  38   0.241 -11.064  -2.927
  277   1HE   LYS  38           HE1      LYS  38  -2.202 -11.303  -3.486
  278   2HE   LYS  38           HE2      LYS  38  -2.259  -9.552  -3.749
  279   1HZ   LYS  38          3HZ       LYS  38  -0.528  -9.781  -5.396
  280   2HZ   LYS  38          1HZ       LYS  38  -0.474 -11.460  -5.143
  281   3HZ   LYS  38          2HZ       LYS  38  -1.869 -10.744  -5.796
  282    H    VAL  39           H        VAL  39   1.011  -9.503   3.097
  283    HA   VAL  39           HA       VAL  39  -1.246  -8.114   4.232
  284    HB   VAL  39           HB       VAL  39   1.582  -7.603   5.112
  285   1HG1  VAL  39          3HG1      VAL  39  -0.263  -6.389   6.185
  286   2HG1  VAL  39          1HG1      VAL  39  -1.068  -7.922   6.562
  287   3HG1  VAL  39          2HG1      VAL  39   0.480  -7.522   7.328
  288   1HG2  VAL  39          1HG2      VAL  39   1.478 -10.057   4.904
  289   2HG2  VAL  39          2HG2      VAL  39   1.513  -9.553   6.603
  290   3HG2  VAL  39          3HG2      VAL  39  -0.011 -10.074   5.865
  291    H    VAL  40           H        VAL  40  -1.519  -5.827   4.398
  292    HA   VAL  40           HA       VAL  40  -0.970  -5.042   1.592
  293    HB   VAL  40           HB       VAL  40  -3.214  -4.156   3.467
  294   1HG1  VAL  40          1HG1      VAL  40  -2.974  -3.682   0.507
  295   2HG1  VAL  40          2HG1      VAL  40  -4.373  -3.313   1.530
  296   3HG1  VAL  40          3HG1      VAL  40  -2.842  -2.459   1.784
  297   1HG2  VAL  40          3HG2      VAL  40  -3.159  -6.144   1.161
  298   2HG2  VAL  40          1HG2      VAL  40  -3.301  -6.559   2.877
  299   3HG2  VAL  40          2HG2      VAL  40  -4.601  -5.665   2.073
  300    H    GLU  41           H        GLU  41   1.038  -4.307   1.689
  301    HA   GLU  41           HA       GLU  41   1.583  -2.824   0.094
  302   1HB   GLU  41          1HB       GLU  41  -0.437  -3.497  -0.756
  303   2HB   GLU  41          2HB       GLU  41  -1.292  -2.211   0.112
  304   1HG   GLU  41          1HG       GLU  41  -1.193  -1.536  -2.116
  305   2HG   GLU  41          2HG       GLU  41   0.019  -0.568  -1.258
  306    H    LEU  42           H        LEU  42   0.504  -1.290   3.061
  307    HA   LEU  42           HA       LEU  42   0.840   1.334   1.705
  308   1HB   LEU  42          1HB       LEU  42  -1.231   0.746   3.727
  309   2HB   LEU  42          2HB       LEU  42  -0.945   2.272   2.870
  310    HG   LEU  42           HG       LEU  42  -1.828  -0.355   1.641
  311   1HD1  LEU  42          3HD1      LEU  42  -3.595   0.876   2.850
  312   2HD1  LEU  42          1HD1      LEU  42  -3.203   2.339   1.931
  313   3HD1  LEU  42          2HD1      LEU  42  -3.868   0.923   1.099
  314   1HD2  LEU  42          1HD2      LEU  42  -0.362   0.802   0.081
  315   2HD2  LEU  42          2HD2      LEU  42  -2.048   0.838  -0.463
  316   3HD2  LEU  42          3HD2      LEU  42  -1.321   2.281   0.265
  317    H    GLY  43           H        GLY  43   2.064   2.643   2.250
  318   1HA   GLY  43          1HA       GLY  43   2.487   3.918   4.778
  319   2HA   GLY  43          2HA       GLY  43   3.917   2.981   4.312
  320    H    CYS  44           H        CYS  44   2.683   5.991   4.128
  321    HA   CYS  44           HA       CYS  44   3.011   6.419   1.177
  322   1HB   CYS  44          1HB       CYS  44   0.721   6.572   2.391
  323   2HB   CYS  44          2HB       CYS  44   1.352   8.071   3.094
  324    H    ALA  45           H        ALA  45   3.405   8.566   0.477
  325    HA   ALA  45           HA       ALA  45   4.077  10.746   0.398
  326   1HB   ALA  45          1HB       ALA  45   3.329  10.643   3.354
  327   2HB   ALA  45          2HB       ALA  45   3.531  12.119   2.395
  328   3HB   ALA  45          3HB       ALA  45   2.215  10.993   2.022
  329    H    ALA  46           H        ALA  46   5.893   9.501   3.060
  330    HA   ALA  46           HA       ALA  46   7.912  11.592   2.320
  331   1HB   ALA  46          3HB       ALA  46   6.839  11.999   4.520
  332   2HB   ALA  46          1HB       ALA  46   7.294  10.369   5.043
  333   3HB   ALA  46          2HB       ALA  46   8.548  11.578   4.719
  334    H    THR  47           H        THR  47   8.864  10.549   0.872
  335    HA   THR  47           HA       THR  47  10.581   9.295  -0.103
  336    HB   THR  47           HB       THR  47  12.665   9.201   1.478
  337    HG1  THR  47           HG1      THR  47  12.479  10.694   3.237
  338   1HG2  THR  47          3HG2      THR  47  12.494  10.869  -0.249
  339   2HG2  THR  47          1HG2      THR  47  11.493  11.882   0.805
  340   3HG2  THR  47          2HG2      THR  47  13.178  11.546   1.239
  341    H    CYS  48           H        CYS  48  10.545   7.589  -0.851
  342    HA   CYS  48           HA       CYS  48   9.588   5.229   0.157
  343   1HB   CYS  48          1HB       CYS  48  11.590   5.304  -2.003
  344   2HB   CYS  48          2HB       CYS  48  10.409   4.041  -1.624
  345    HA   PRO  49           HA       PRO  49  13.538   3.426   1.628
  346   1HB   PRO  49          1HB       PRO  49  15.984   4.561   1.742
  347   2HB   PRO  49          2HB       PRO  49  15.291   3.960   0.226
  348   1HG   PRO  49          1HG       PRO  49  15.277   6.807   1.310
  349   2HG   PRO  49          2HG       PRO  49  15.729   6.255  -0.311
  350   1HD   PRO  49          2HD       PRO  49  13.225   7.218   0.246
  351   2HD   PRO  49          1HD       PRO  49  13.498   5.966  -0.977
  352    H    SER  50           H        SER  50  12.498   6.177   3.156
  353    HA   SER  50           HA       SER  50  14.125   5.711   5.608
  354   1HB   SER  50          1HB       SER  50  12.875   7.733   6.480
  355   2HB   SER  50          2HB       SER  50  13.948   8.039   5.104
  356    HG   SER  50           HG       SER  50  11.884   9.054   4.861
  357    H    LYS  51           H        LYS  51  13.611   3.858   6.205
  358    HA   LYS  51           HA       LYS  51  12.611   2.148   7.352
  359   1HB   LYS  51          1HB       LYS  51  10.691   4.303   8.292
  360   2HB   LYS  51          2HB       LYS  51  10.741   2.647   8.919
  361   1HG   LYS  51          1HG       LYS  51  12.893   2.955   9.863
  362   2HG   LYS  51          2HG       LYS  51  13.171   4.442   8.941
  363   1HD   LYS  51          1HD       LYS  51  11.044   4.198  11.065
  364   2HD   LYS  51          2HD       LYS  51  12.704   4.711  11.414
  365   1HE   LYS  51           HE1      LYS  51  11.564   6.731  11.204
  366   2HE   LYS  51           HE2      LYS  51  12.283   6.518   9.599
  367   1HZ   LYS  51          3HZ       LYS  51  10.192   5.631   8.821
  368   2HZ   LYS  51          1HZ       LYS  51   9.502   5.836  10.359
  369   3HZ   LYS  51          2HZ       LYS  51   9.987   7.192   9.458
  370    H    LYS  52           H        LYS  52  10.666   3.799   5.225
  371    HA   LYS  52           HA       LYS  52   8.677   1.799   4.718
  372   1HB   LYS  52          1HB       LYS  52   9.776   4.144   3.195
  373   2HB   LYS  52          2HB       LYS  52   8.745   2.964   2.367
  374   1HG   LYS  52          1HG       LYS  52   7.256   4.629   3.077
  375   2HG   LYS  52          2HG       LYS  52   7.079   3.346   4.286
  376   1HD   LYS  52          1HD       LYS  52   8.600   4.563   5.789
  377   2HD   LYS  52          2HD       LYS  52   8.755   5.850   4.582
  378   1HE   LYS  52           HE1      LYS  52   6.408   6.418   4.814
  379   2HE   LYS  52           HE2      LYS  52   6.144   5.041   5.897
  380   1HZ   LYS  52          1HZ       LYS  52   8.008   7.292   6.375
  381   2HZ   LYS  52          2HZ       LYS  52   6.499   7.077   7.124
  382   3HZ   LYS  52          3HZ       LYS  52   7.755   5.971   7.413
  383    HA   PRO  53           HA       PRO  53  11.189  -0.822   1.917
  384   1HB   PRO  53          1HB       PRO  53  13.654  -1.549   2.848
  385   2HB   PRO  53          2HB       PRO  53  13.381  -0.336   1.585
  386   1HG   PRO  53          1HG       PRO  53  13.795   0.101   4.566
  387   2HG   PRO  53          2HG       PRO  53  14.565   0.945   3.212
  388   1HD   PRO  53          2HD       PRO  53  12.456   2.066   4.450
  389   2HD   PRO  53          1HD       PRO  53  12.593   2.165   2.687
  390    OH   TYR  54           OH       TYR  54   5.662  -4.925   9.981
  391    H    TYR  54           H        TYR  54   9.395  -1.077   3.783
  392    HA   TYR  54           HA       TYR  54  10.062  -3.078   5.830
  393   1HB   TYR  54          1HB       TYR  54   8.568  -1.104   6.279
  394   2HB   TYR  54          2HB       TYR  54   7.419  -1.756   5.098
  395    HD1  TYR  54           HD1      TYR  54   9.322  -2.905   8.168
  396    HD2  TYR  54           HD2      TYR  54   5.656  -3.016   5.858
  397    HE1  TYR  54           HE1      TYR  54   8.213  -4.204  10.008
  398    HE2  TYR  54           HE2      TYR  54   4.548  -4.313   7.696
  399    HH   TYR  54           HH       TYR  54   4.751  -5.126   9.717
  400    H    GLU  55           H        GLU  55  10.775  -4.536   4.514
  401    HA   GLU  55           HA       GLU  55  10.845  -6.550   3.429
  402   1HB   GLU  55          1HB       GLU  55   7.869  -6.526   3.951
  403   2HB   GLU  55          2HB       GLU  55   8.738  -7.882   3.214
  404   1HG   GLU  55          1HG       GLU  55   8.567  -8.523   5.437
  405   2HG   GLU  55          2HG       GLU  55  10.195  -7.827   5.347
  406    H    GLU  56           H        GLU  56   8.310  -6.940   1.416
  407    HA   GLU  56           HA       GLU  56  10.265  -6.276  -0.673
  408   1HB   GLU  56          1HB       GLU  56   8.887  -8.421  -0.467
  409   2HB   GLU  56          2HB       GLU  56   7.658  -7.480  -1.330
  410   1HG   GLU  56          1HG       GLU  56  10.502  -7.578  -2.311
  411   2HG   GLU  56          2HG       GLU  56   9.369  -8.885  -2.691
  412    H    VAL  57           H        VAL  57  10.376  -4.258  -1.235
  413    HA   VAL  57           HA       VAL  57   7.876  -2.626  -1.572
  414    HB   VAL  57           HB       VAL  57  10.595  -1.935  -0.400
  415   1HG1  VAL  57          3HG1      VAL  57   9.873   0.039  -1.687
  416   2HG1  VAL  57          1HG1      VAL  57   8.316   0.020  -0.843
  417   3HG1  VAL  57          2HG1      VAL  57   9.808   0.342   0.058
  418   1HG2  VAL  57          1HG2      VAL  57   9.096  -3.089   1.111
  419   2HG2  VAL  57          2HG2      VAL  57   9.274  -1.400   1.614
  420   3HG2  VAL  57          3HG2      VAL  57   7.807  -1.923   0.770
  421    H    THR  58           H        THR  58   7.326  -1.496  -2.874
  422    HA   THR  58           HA       THR  58   9.042  -0.203  -4.870
  423    HB   THR  58           HB       THR  58   6.617  -1.116  -6.170
  424    HG1  THR  58           HG1      THR  58   7.473  -3.227  -6.629
  425   1HG2  THR  58          1HG2      THR  58   9.526  -1.103  -6.945
  426   2HG2  THR  58          2HG2      THR  58   8.161  -1.425  -8.029
  427   3HG2  THR  58          3HG2      THR  58   8.334   0.168  -7.271
  428    H    CYS  59           H        CYS  59   8.378   1.757  -5.116
  429    HA   CYS  59           HA       CYS  59   5.689   2.611  -4.120
  430   1HB   CYS  59          1HB       CYS  59   6.727   4.652  -3.332
  431   2HB   CYS  59          2HB       CYS  59   7.566   3.260  -2.626
  432    H    CYS  60           H        CYS  60   4.559   4.029  -5.343
  433    HA   CYS  60           HA       CYS  60   5.597   4.341  -8.137
  434   1HB   CYS  60          1HB       CYS  60   3.718   2.729  -7.869
  435   2HB   CYS  60          2HB       CYS  60   2.693   4.131  -7.518
  436    H    SER  61           H        SER  61   5.539   6.158  -9.093
  437    HA   SER  61           HA       SER  61   5.267   8.651  -7.744
  438   1HB   SER  61          1HB       SER  61   5.591   9.532 -10.126
  439   2HB   SER  61          2HB       SER  61   6.863   8.494  -9.461
  440    HG   SER  61           HG       SER  61   6.212   7.833 -11.607
  441    H    THR  62           H        THR  62   3.150   6.894  -9.889
  442    HA   THR  62           HA       THR  62   1.309   9.184 -10.216
  443    HB   THR  62           HB       THR  62   0.285   7.665 -11.974
  444    HG1  THR  62           HG1      THR  62   1.800   6.051 -12.716
  445   1HG2  THR  62          1HG2      THR  62   3.078   8.719 -12.330
  446   2HG2  THR  62          2HG2      THR  62   1.939   8.305 -13.624
  447   3HG2  THR  62          3HG2      THR  62   1.567   9.629 -12.506
  448    H    ASP  63           H        ASP  63  -0.855   8.999 -10.147
  449    HA   ASP  63           HA       ASP  63  -2.113   7.834  -7.908
  450   1HB   ASP  63          1HB       ASP  63  -4.217   8.439  -9.017
  451   2HB   ASP  63          2HB       ASP  63  -3.026   9.743  -9.162
  452    H    LYS  64           H        LYS  64  -3.265   6.303  -7.393
  453    HA   LYS  64           HA       LYS  64  -3.881   4.102  -7.076
  454   1HB   LYS  64          1HB       LYS  64  -4.868   4.209  -9.933
  455   2HB   LYS  64          2HB       LYS  64  -5.547   3.306  -8.568
  456   1HG   LYS  64          1HG       LYS  64  -6.287   5.390  -7.524
  457   2HG   LYS  64          2HG       LYS  64  -5.546   6.329  -8.832
  458   1HD   LYS  64          1HD       LYS  64  -7.054   4.904 -10.401
  459   2HD   LYS  64          2HD       LYS  64  -7.962   4.522  -8.929
  460   1HE   LYS  64           HE1      LYS  64  -7.393   7.331  -9.916
  461   2HE   LYS  64           HE2      LYS  64  -8.898   6.446 -10.221
  462   1HZ   LYS  64          3HZ       LYS  64  -9.268   6.340  -7.869
  463   2HZ   LYS  64          1HZ       LYS  64  -7.827   7.189  -7.576
  464   3HZ   LYS  64          2HZ       LYS  64  -9.109   7.949  -8.390
  465    H    CYS  65           H        CYS  65  -1.244   4.456  -8.616
  466    HA   CYS  65           HA       CYS  65  -0.936   2.047 -10.155
  467   1HB   CYS  65          1HB       CYS  65   0.151   4.063 -10.756
  468   2HB   CYS  65          2HB       CYS  65   0.843   4.256  -9.137
  469    H    ASN  66           H        ASN  66  -1.309   2.004  -7.019
  470    HA   ASN  66           HA       ASN  66   1.066   0.349  -6.311
  471   1HB   ASN  66          1HB       ASN  66   0.758   1.313  -4.039
  472   2HB   ASN  66          2HB       ASN  66   1.351   2.388  -5.317
  473   1HD2  ASN  66          2HD2      ASN  66  -1.176   4.068  -3.027
  474   2HD2  ASN  66          1HD2      ASN  66   0.209   3.075  -2.715
  475    HA   PRO  67           HA       PRO  67  -3.126  -1.699  -5.609
  476   1HB   PRO  67          1HB       PRO  67  -2.516  -3.888  -7.456
  477   2HB   PRO  67          2HB       PRO  67  -3.753  -2.632  -7.633
  478   1HG   PRO  67          1HG       PRO  67  -1.531  -2.773  -9.258
  479   2HG   PRO  67          2HG       PRO  67  -2.346  -1.245  -8.882
  480   1HD   PRO  67          2HD       PRO  67   0.121  -2.447  -7.554
  481   2HD   PRO  67          1HD       PRO  67  -0.132  -0.782  -8.105
  482    H    HIS  68           H        HIS  68  -3.276  -2.807  -3.808
  483    HA   HIS  68           HA       HIS  68  -1.420  -4.672  -2.728
  484   1HB   HIS  68          1HB       HIS  68  -2.995  -3.836  -1.204
  485   2HB   HIS  68          2HB       HIS  68  -4.350  -4.089  -2.317
  486    HD2  HIS  68           HD2      HIS  68  -5.791  -5.522  -0.540
  487    HE1  HIS  68           HE1      HIS  68  -3.452  -9.012  -0.966
  488    HE2  HIS  68           HE2      HIS  68  -5.741  -8.077  -0.280
  489    HA   PRO  69           HA       PRO  69  -2.718  -8.292  -5.330
  490   1HB   PRO  69          1HB       PRO  69  -4.609  -7.825  -7.326
  491   2HB   PRO  69          2HB       PRO  69  -4.959  -8.668  -5.806
  492   1HG   PRO  69          1HG       PRO  69  -5.384  -5.741  -6.488
  493   2HG   PRO  69          2HG       PRO  69  -6.490  -6.857  -5.671
  494   1HD   PRO  69          2HD       PRO  69  -5.041  -5.174  -4.177
  495   2HD   PRO  69          1HD       PRO  69  -5.181  -6.861  -3.656
  496    H    LYS  70           H        LYS  70  -0.829  -7.491  -5.603
  497    HA   LYS  70           HA       LYS  70   0.749  -5.900  -6.751
  498   1HB   LYS  70          1HB       LYS  70   0.690  -8.722  -7.886
  499   2HB   LYS  70          2HB       LYS  70   2.085  -7.630  -7.871
  500   1HG   LYS  70          1HG       LYS  70   1.888  -7.611  -5.330
  501   2HG   LYS  70          2HG       LYS  70   0.722  -8.934  -5.496
  502   1HD   LYS  70          1HD       LYS  70   2.403 -10.297  -6.658
  503   2HD   LYS  70          2HD       LYS  70   3.568  -8.967  -6.564
  504   1HE   LYS  70           HE1      LYS  70   3.564  -9.100  -4.119
  505   2HE   LYS  70           HE2      LYS  70   2.332 -10.372  -4.172
  506   1HZ   LYS  70          3HZ       LYS  70   3.870 -11.760  -5.374
  507   2HZ   LYS  70          1HZ       LYS  70   5.050 -10.541  -5.325
  508   3HZ   LYS  70          2HZ       LYS  70   4.530 -11.279  -3.886
  509    H    GLN  71           H        GLN  71  -0.482  -7.673  -9.518
  510    HA   GLN  71           HA       GLN  71  -0.534  -7.024 -11.731
  511   1HB   GLN  71          1HB       GLN  71  -1.465  -4.446 -10.446
  512   2HB   GLN  71          2HB       GLN  71  -1.422  -4.702 -12.198
  513   1HG   GLN  71          1HG       GLN  71  -3.050  -6.417 -12.093
  514   2HG   GLN  71          2HG       GLN  71  -2.891  -6.566 -10.335
  515   1HE2  GLN  71          2HE2      GLN  71  -5.142  -4.000  -9.536
  516   2HE2  GLN  71          1HE2      GLN  71  -3.922  -5.095  -8.977
  517    NH1  ARG  72           NH1      ARG  72   5.863   1.117  -8.907
  518    NH2  ARG  72           NH2      ARG  72   4.589   0.722  -7.064
  519    H    ARG  72           H        ARG  72   0.958  -4.330 -10.151
  520    HA   ARG  72           HA       ARG  72   3.284  -4.363 -11.976
  521   1HB   ARG  72          1HB       ARG  72   2.053  -2.280 -11.019
  522   2HB   ARG  72          2HB       ARG  72   2.723  -2.748  -9.448
  523   1HG   ARG  72          1HG       ARG  72   4.982  -2.476 -10.287
  524   2HG   ARG  72          2HG       ARG  72   4.366  -2.129 -11.912
  525   1HD   ARG  72          1HD       ARG  72   4.927  -0.025 -10.906
  526   2HD   ARG  72          2HD       ARG  72   3.159  -0.138 -10.926
  527    HE   ARG  72           HE       ARG  72   3.344  -0.834  -8.514
  528   1HH1  ARG  72          1HH1      ARG  72   6.040   1.014  -9.886
  529   2HH1  ARG  72          2HH1      ARG  72   6.449   1.707  -8.352
  530   1HH2  ARG  72          1HH2      ARG  72   3.787   0.314  -6.626
  531   2HH2  ARG  72          2HH2      ARG  72   5.195   1.321  -6.540
  532    HA   PRO  73           HA       PRO  73   4.403  -7.674  -9.239
  533   1HB   PRO  73          1HB       PRO  73   6.779  -8.439 -10.327
  534   2HB   PRO  73          2HB       PRO  73   5.204  -8.769 -11.068
  535   1HG   PRO  73          1HG       PRO  73   7.143  -6.508 -11.670
  536   2HG   PRO  73          2HG       PRO  73   6.286  -7.558 -12.810
  537   1HD   PRO  73          2HD       PRO  73   5.361  -5.075 -12.214
  538   2HD   PRO  73          1HD       PRO  73   4.250  -6.419 -12.533
  539    H    GLY  74           H        GLY  74   4.507  -6.408  -7.439
  540   1HA   GLY  74          1HA       GLY  74   7.086  -6.549  -6.055
  541   2HA   GLY  74          2HA       GLY  74   6.343  -4.942  -6.127
  542   1H    LYS  75          2H        LYS  75  -8.257   4.717   8.209
  543   2H    LYS  75          3H        LYS  75  -9.098   3.771   9.339
  544   3H    LYS  75          1H        LYS  75  -8.282   5.171   9.845
  545    HA   LYS  75           HA       LYS  75  -6.165   4.190   9.268
  546   1HB   LYS  75          1HB       LYS  75  -8.012   2.619  11.090
  547   2HB   LYS  75          2HB       LYS  75  -6.276   2.285  10.970
  548   1HG   LYS  75          1HG       LYS  75  -5.718   4.468  11.760
  549   2HG   LYS  75          2HG       LYS  75  -7.400   5.011  11.629
  550   1HD   LYS  75          1HD       LYS  75  -6.588   2.774  13.490
  551   2HD   LYS  75          2HD       LYS  75  -6.498   4.476  13.976
  552   1HE   LYS  75           HE1      LYS  75  -8.897   4.739  13.570
  553   2HE   LYS  75           HE2      LYS  75  -9.004   3.059  13.019
  554   1HZ   LYS  75          1HZ       LYS  75  -8.155   3.951  15.710
  555   2HZ   LYS  75          2HZ       LYS  75  -9.664   3.281  15.314
  556   3HZ   LYS  75          3HZ       LYS  75  -8.257   2.340  15.182
  557    H    HIS  76           H        HIS  76  -5.551   3.641   7.496
  558    HA   HIS  76           HA       HIS  76  -6.237   2.050   5.485
  559   1HB   HIS  76          1HB       HIS  76  -3.446   2.169   6.576
  560   2HB   HIS  76          2HB       HIS  76  -3.918   1.708   4.932
  561    HD2  HIS  76           HD2      HIS  76  -2.559   3.617   3.825
  562    HE1  HIS  76           HE1      HIS  76  -4.578   6.965   5.384
  563    HE2  HIS  76           HE2      HIS  76  -2.840   6.147   3.689
  564    CH2  TRP  77           CH2      TRP  77 -10.682  -1.012  10.758
  565    H    TRP  77           H        TRP  77  -7.179   0.203   5.484
  566    HA   TRP  77           HA       TRP  77  -6.620  -1.904   7.422
  567   1HB   TRP  77          1HB       TRP  77  -8.444  -1.923   4.996
  568   2HB   TRP  77          2HB       TRP  77  -8.426  -3.120   6.302
  569    HD1  TRP  77           HD1      TRP  77  -9.706   0.288   5.401
  570    HE1  TRP  77           HE1      TRP  77 -10.793   1.480   7.350
  571    HE3  TRP  77           HE3      TRP  77  -8.887  -3.265   8.898
  572    HZ2  TRP  77           HZ2      TRP  77 -11.387   0.916  10.059
  573    HZ3  TRP  77           HZ3      TRP  77  -9.848  -2.959  11.187
  574    HH2  TRP  77           HH2      TRP  77 -11.099  -0.892  11.752
  575    H    VAL  78           H        VAL  78  -4.959  -2.970   7.444
  576    HA   VAL  78           HA       VAL  78  -3.579  -3.911   5.040
  577    HB   VAL  78           HB       VAL  78  -2.084  -5.089   6.675
  578   1HG1  VAL  78          3HG1      VAL  78  -1.460  -2.996   5.801
  579   2HG1  VAL  78          1HG1      VAL  78  -2.396  -2.145   7.043
  580   3HG1  VAL  78          2HG1      VAL  78  -0.985  -3.115   7.505
  581   1HG2  VAL  78          3HG2      VAL  78  -3.752  -3.672   8.784
  582   2HG2  VAL  78          1HG2      VAL  78  -3.664  -5.426   8.544
  583   3HG2  VAL  78          2HG2      VAL  78  -2.228  -4.530   9.068
  584    OH   TYR  79           OH       TYR  79 -10.836  -2.784   1.782
  585    H    TYR  79           H        TYR  79  -5.957  -4.709   4.677
  586    HA   TYR  79           HA       TYR  79  -6.197  -7.557   5.503
  587   1HB   TYR  79          1HB       TYR  79  -8.527  -7.329   5.072
  588   2HB   TYR  79          2HB       TYR  79  -8.009  -5.956   6.066
  589    HD1  TYR  79           HD2      TYR  79  -6.909  -4.496   3.275
  590    HD2  TYR  79           HD1      TYR  79 -10.606  -6.181   4.783
  591    HE1  TYR  79           HE2      TYR  79  -8.211  -2.938   1.809
  592    HE2  TYR  79           HE1      TYR  79 -11.908  -4.609   3.337
  593    HH   TYR  79           HH       TYR  79 -10.228  -2.235   1.264
  594    OH   TYR  80           OH       TYR  80  -3.589 -12.281   8.155
  595    H    TYR  80           H        TYR  80  -4.792  -8.524   4.345
  596    HA   TYR  80           HA       TYR  80  -4.978  -9.043   1.581
  597   1HB   TYR  80          1HB       TYR  80  -4.136 -11.305   2.158
  598   2HB   TYR  80          2HB       TYR  80  -3.160  -9.888   2.584
  599    HD1  TYR  80           HD1      TYR  80  -2.790  -9.228   4.892
  600    HD2  TYR  80           HD2      TYR  80  -5.136 -12.739   3.895
  601    HE1  TYR  80           HE1      TYR  80  -2.596 -10.027   7.254
  602    HE2  TYR  80           HE2      TYR  80  -4.955 -13.526   6.272
  603    HH   TYR  80           HH       TYR  80  -4.061 -13.122   8.262
   
   
  No H/Q in entry =         603