*HEADER    PEPTIDE NUCLEIC ACID                    07-JUN-08   2K4G              
*TITLE     SOLUTION STRUCTURE OF A PEPTIDE NUCLEIC ACID DUPLEX, 10               
*TITLE    2 STRUCTURES                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PNA (N'-(*(GPN)*(GPN)*(CPN)*(APN)*(TPN)*(GPN)              
*COMPND   3 *(CPN)*(CPN))-C');                                                   
*COMPND   4 CHAIN: A, B;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PEPTIDE NUCLEIC ACID, PNA, PNA-PNA DUPLEX, LEFT-HANDED                
*KEYWDS   2 DUPLEX, P-FORM                                                       
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    W.HE, E.HATCHER, A.BALAEFF, D.BERATAN, R.GIL, M.MADRID,               
*AUTHOR   2 C.ACHIM                                                              
*REVDAT   2   15-NOV-23 2K4G    1                                                
*REVDAT   1   23-SEP-08 2K4G    0                                                


#
#   3   GPN  H1    18  CPN  H4     3.10   3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 2.60, r2= 3.10, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 500, 501,
 &end
#
#   3   GPN  H1    17  GPN  H1     4.19   4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 467, r1= 3.69, r2= 4.19, r3= 4.59, r4= 5.09,  &end
#
#   4   CPN  H1'   4   CPN  H6     3.83   4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  91, r1= 3.33, r2= 3.83, r3= 4.23, r4= 4.73,  &end
#
#   5   APN  H1'   5   APN  H8     3.89   4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 122, r1= 3.39, r2= 3.89, r3= 4.29, r4= 4.79,  &end
#
#   5   APN  H8    4   CPN  H6     4.48   4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  91, r1= 3.98, r2= 4.48, r3= 4.88, r4= 5.38,  &end
#
#   5   APN  H8    6   TPN  H6     4.82   5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 155, r1= 4.32, r2= 4.82, r3= 5.22, r4= 5.72,  &end
#
#   5   APN  H2    6   TPN  H6     4.30   4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 155, r1= 3.80, r2= 4.30, r3= 4.70, r4= 5.20,  &end
#
#   6   TPN  H7    6   TPN  H6     2.80   3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 2.30, r2= 2.80, r3= 3.84, r4= 4.34,
 igr1= 158, 159, 160,
 &end
#
#   6   TPN  H3    15  APN  H2     2.84   3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 404, r1= 2.34, r2= 2.84, r3= 3.24, r4= 3.74,  &end
#
#   6   TPN  H3    5   APN  H2     2.84   3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 131, r1= 2.34, r2= 2.84, r3= 3.24, r4= 3.74,  &end
#
#   6   TPN  H7    5   APN  H8     3.47   3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 2.97, r2= 3.47, r3= 4.65, r4= 5.15,
 igr1= 158, 159, 160,
 &end
#
#   6   TPN  H7    5   APN  H2     3.76   4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 3.26, r2= 3.76, r3= 5.00, r4= 5.50,
 igr1= 158, 159, 160,
 &end
#
#   6   TPN  H7    7   GPN  H8     3.81   4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 3.31, r2= 3.81, r3= 5.06, r4= 5.56,
 igr1= 158, 159, 160,
 &end
#
#   6   TPN  H1'   6   TPN  H6     4.32   4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 155, r1= 3.82, r2= 4.32, r3= 4.72, r4= 5.22,  &end
#
#   7   GPN  H1    14  CPN  H4     3.13   3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 2.63, r2= 3.13, r3= 3.96, r4= 4.46,
 igr2= 369, 370,
 &end
#
#   7   GPN  H8    6   TPN  H6     4.36   4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 155, r1= 3.86, r2= 4.36, r3= 4.76, r4= 5.26,  &end
#
#   7   GPN  H1'   7   GPN  H8     4.79   5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 188, r1= 4.29, r2= 4.79, r3= 5.19, r4= 5.69,  &end
#
#   8   CPN  H1'   8   CPN  H6     4.15   4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 222, r1= 3.65, r2= 4.15, r3= 4.55, r4= 5.05,  &end
#
#   13  GPN  H1    8   CPN  H4     3.10   3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 2.60, r2= 3.10, r3= 3.93, r4= 4.43,
 igr2= 227, 228,
 &end
#
#   13  GPN  H1    7   GPN  H1     4.19   4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 194, r1= 3.69, r2= 4.19, r3= 4.59, r4= 5.09,  &end
#
#   14  CPN  H1'   14  CPN  H6     3.83   4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 364, r1= 3.33, r2= 3.83, r3= 4.23, r4= 4.73,  &end
#
#   15  APN  H1'   15  APN  H8     3.89   4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 395, r1= 3.39, r2= 3.89, r3= 4.29, r4= 4.79,  &end
#
#   15  APN  H8    14  CPN  H6     4.48   4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 364, r1= 3.98, r2= 4.48, r3= 4.88, r4= 5.38,  &end
#
#   15  APN  H8    16  TPN  H6     4.82   5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 428, r1= 4.32, r2= 4.82, r3= 5.22, r4= 5.72,  &end
#
#   15  APN  H2    16  TPN  H6     4.30   4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 428, r1= 3.80, r2= 4.30, r3= 4.70, r4= 5.20,  &end
#
#   16  TPN  H7    16  TPN  H6     2.80   3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 2.30, r2= 2.80, r3= 3.84, r4= 4.34,
 igr1= 431, 432, 433,
 &end
#
#   16  TPN  H3    5   APN  H2     2.84   3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 131, r1= 2.34, r2= 2.84, r3= 3.24, r4= 3.74,  &end
#
#   16  TPN  H3    15  APN  H2     2.84   3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 404, r1= 2.34, r2= 2.84, r3= 3.24, r4= 3.74,  &end
#
#   16  TPN  H7    15  APN  H8     3.47   3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 2.97, r2= 3.47, r3= 4.65, r4= 5.15,
 igr1= 431, 432, 433,
 &end
#
#   16  TPN  H7    15  APN  H2     3.76   4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 3.26, r2= 3.76, r3= 5.00, r4= 5.50,
 igr1= 431, 432, 433,
 &end
#
#   16  TPN  H7    17  GPN  H8     3.81   4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 3.31, r2= 3.81, r3= 5.06, r4= 5.56,
 igr1= 431, 432, 433,
 &end
#
#   16  TPN  H1'   16  TPN  H6     4.32   4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 428, r1= 3.82, r2= 4.32, r3= 4.72, r4= 5.22,  &end
#
#   17  GPN  H1    4   CPN  H4     3.13   3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 2.63, r2= 3.13, r3= 3.96, r4= 4.46,
 igr2=  96,  97,
 &end
#
#   17  GPN  H8    16  TPN  H6     4.36   4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 428, r1= 3.86, r2= 4.36, r3= 4.76, r4= 5.26,  &end
#
#   17  GPN  H1'   17  GPN  H8     4.79   5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 461, r1= 4.29, r2= 4.79, r3= 5.19, r4= 5.69,  &end
#
#   18  CPN  H1'   18  CPN  H6     4.15   4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 495, r1= 3.65, r2= 4.15, r3= 4.55, r4= 5.05,  &end
#
#   2  GPN  H1     19  CPN  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  29, 533, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   2  GPN  H22    19  CPN  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 535, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   2  GPN  N1     19  CPN  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  28, 533, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   2  GPN  O6     19  CPN  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 532, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2  GPN  O6     19  CPN  N4      2.81   3.01  
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 530, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   3  GPN  H1     18  CPN  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 502, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   3  GPN  H22    18  CPN  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 504, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   3  GPN  N1     18  CPN  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 502, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   3  GPN  O6     18  CPN  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 501, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   3  GPN  O6     18  CPN  N4      2.81   3.01  
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 499, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   4  CPN  H42    17  GPN  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 465, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4  CPN  N3     17  GPN  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 467, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  CPN  N3     17  GPN  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 466, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   4  CPN  N4     17  GPN  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 465, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   4  CPN  O2     17  GPN  H22     1.75   1.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 471, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   5  APN  H61    16  TPN  O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 435, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  APN  N1     16  TPN  H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 437, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   5  APN  N1     16  TPN  N3      2.72   2.92  
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 436, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   6  TPN  H3     15  APN  N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 402, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   6  TPN  N3     15  APN  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 402, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   6  TPN  O4     15  APN  H61     1.84   2.04    
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 400, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   7  GPN  H1     14  CPN  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 371, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   7  GPN  H22    14  CPN  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 373, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   7  GPN  N1     14  CPN  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 371, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   7  GPN  O6     14  CPN  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 370, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7  GPN  O6     14  CPN  N4      2.81   3.01  
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 368, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   8  CPN  H42    13  GPN  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 334, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   8  CPN  N3     13  GPN  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 336, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  CPN  N3     13  GPN  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 335, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   8  CPN  N4     13  GPN  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 334, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   8  CPN  O2     13  GPN  H22     1.75   1.95  
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 340, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   9  CPN  H42    12  GPN  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 300, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9  CPN  N3     12  GPN  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 302, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   9  CPN  N3     12  GPN  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 301, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   9  CPN  N4     12  GPN  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 300, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   9  CPN  O2     12  GPN  H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 306, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end

REMARK   1                     PDB file generated by ptraj (set     1)
ATOM      1 1HH3 ACE     1      20.726   5.473  -6.543  0.00  0.00
ATOM      2  CH3 ACE     1      21.337   4.617  -6.227  0.00  0.00
ATOM      3 2HH3 ACE     1      21.461   3.805  -6.956  0.00  0.00
ATOM      4 3HH3 ACE     1      22.296   5.129  -6.424  0.00  0.00
ATOM      5  C   ACE     1      21.216   4.281  -5.132  0.00  0.00
ATOM      6  O   ACE     1      22.092   4.288  -4.569  0.00  0.00
ATOM      7  N1' GPN     2      20.374   3.673  -4.864  0.00  0.00
ATOM      8  H1' GPN     2      20.483   3.160  -3.997  0.00  0.00
ATOM      9  C2' GPN     2      19.283   4.078  -5.157  0.00  0.00
ATOM     10 1H2' GPN     2      19.160   5.179  -5.223  0.00  0.00
ATOM     11 2H2' GPN     2      18.684   3.811  -4.257  0.00  0.00
ATOM     12  C3' GPN     2      19.147   3.498  -6.252  0.00  0.00
ATOM     13 1H3' GPN     2      19.738   2.634  -6.601  0.00  0.00
ATOM     14 2H3' GPN     2      19.390   4.098  -7.129  0.00  0.00
ATOM     15  N4' GPN     2      17.976   3.401  -6.191  0.00  0.00
ATOM     16  C7' GPN     2      17.662   2.287  -5.834  0.00  0.00
ATOM     17  O7' GPN     2      16.554   2.089  -6.164  0.00  0.00
ATOM     18  C8' GPN     2      18.666   1.366  -5.142  0.00  0.00
ATOM     19 1H8' GPN     2      19.397   0.940  -5.833  0.00  0.00
ATOM     20 2H8' GPN     2      19.171   1.778  -4.274  0.00  0.00
ATOM     21  N9  GPN     2      17.965   0.325  -4.649  0.00  0.00
ATOM     22  C8  GPN     2      17.766  -0.839  -5.237  0.00  0.00
ATOM     23  H8  GPN     2      18.198  -1.118  -6.192  0.00  0.00
ATOM     24  N7  GPN     2      17.054  -1.619  -4.519  0.00  0.00
ATOM     25  C5  GPN     2      16.738  -0.839  -3.438  0.00  0.00
ATOM     26  C6  GPN     2      15.994  -1.142  -2.305  0.00  0.00
ATOM     27  O6  GPN     2      15.467  -2.188  -2.014  0.00  0.00
ATOM     28  N1  GPN     2      15.880  -0.113  -1.447  0.00  0.00
ATOM     29  H1  GPN     2      15.330  -0.280  -0.628  0.00  0.00
ATOM     30  C2  GPN     2      16.421   1.091  -1.653  0.00  0.00
ATOM     31  N2  GPN     2      16.211   1.992  -0.765  0.00  0.00
ATOM     32  H21 GPN     2      16.637   2.886  -0.914  0.00  0.00
ATOM     33  H22 GPN     2      15.635   1.821   0.048  0.00  0.00
ATOM     34  N3  GPN     2      17.138   1.443  -2.695  0.00  0.00
ATOM     35  C4  GPN     2      17.252   0.403  -3.540  0.00  0.00
ATOM     36  C5' GPN     2      17.294   4.281  -7.028  0.00  0.00
ATOM     37 1H5' GPN     2      16.911   3.733  -7.894  0.00  0.00
ATOM     38 2H5' GPN     2      17.896   5.097  -7.443  0.00  0.00
ATOM     39  C'  GPN     2      16.281   4.930  -6.483  0.00  0.00
ATOM     40  O1' GPN     2      15.630   5.651  -7.149  0.00  0.00
ATOM     41  N1' GPN     3      16.170   4.779  -5.308  0.00  0.00
ATOM     42  H1' GPN     3      16.786   4.207  -4.746  0.00  0.00
ATOM     43  C2' GPN     3      15.394   5.707  -4.843  0.00  0.00
ATOM     44 1H2' GPN     3      15.937   6.209  -4.035  0.00  0.00
ATOM     45 2H2' GPN     3      14.920   6.524  -5.401  0.00  0.00
ATOM     46  C3' GPN     3      14.505   4.953  -4.319  0.00  0.00
ATOM     47 1H3' GPN     3      15.009   4.350  -3.574  0.00  0.00
ATOM     48 2H3' GPN     3      14.054   5.652  -3.616  0.00  0.00
ATOM     49  N4' GPN     3      13.352   4.453  -4.912  0.00  0.00
ATOM     50  C7' GPN     3      12.917   3.308  -4.401  0.00  0.00
ATOM     51  O7' GPN     3      11.761   2.964  -4.599  0.00  0.00
ATOM     52  C8' GPN     3      13.868   2.410  -3.591  0.00  0.00
ATOM     53 1H8' GPN     3      14.689   2.072  -4.223  0.00  0.00
ATOM     54 2H8' GPN     3      14.261   2.919  -2.715  0.00  0.00
ATOM     55  N9  GPN     3      13.174   1.268  -3.032  0.00  0.00
ATOM     56  C8  GPN     3      12.987   0.042  -3.586  0.00  0.00
ATOM     57  H8  GPN     3      13.375  -0.231  -4.560  0.00  0.00
ATOM     58  N7  GPN     3      12.301  -0.768  -2.835  0.00  0.00
ATOM     59  C5  GPN     3      12.016  -0.007  -1.704  0.00  0.00
ATOM     60  C6  GPN     3      11.287  -0.324  -0.518  0.00  0.00
ATOM     61  O6  GPN     3      10.731  -1.369  -0.198  0.00  0.00
ATOM     62  N1  GPN     3      11.207   0.715   0.370  0.00  0.00
ATOM     63  H1  GPN     3      10.661   0.532   1.198  0.00  0.00
ATOM     64  C2  GPN     3      11.760   1.935   0.160  0.00  0.00
ATOM     65  N2  GPN     3      11.565   2.851   1.069  0.00  0.00
ATOM     66  H21 GPN     3      11.986   3.747   0.895  0.00  0.00
ATOM     67  H22 GPN     3      10.972   2.698   1.879  0.00  0.00
ATOM     68  N3  GPN     3      12.459   2.277  -0.919  0.00  0.00
ATOM     69  C4  GPN     3      12.548   1.254  -1.820  0.00  0.00
ATOM     70  C5' GPN     3      12.495   5.310  -5.706  0.00  0.00
ATOM     71 1H5' GPN     3      11.745   4.716  -6.229  0.00  0.00
ATOM     72 2H5' GPN     3      13.096   5.785  -6.482  0.00  0.00
ATOM     73  C'  GPN     3      11.775   6.395  -4.957  0.00  0.00
ATOM     74  O1' GPN     3      11.349   7.293  -5.578  0.00  0.00
ATOM     75  N1' CPN     4      11.606   6.483  -3.680  0.00  0.00
ATOM     76  H1' CPN     4      11.981   5.744  -3.101  0.00  0.00
ATOM     77  C2' CPN     4      11.091   7.699  -3.036  0.00  0.00
ATOM     78 1H2' CPN     4      11.928   8.239  -2.589  0.00  0.00
ATOM     79 2H2' CPN     4      10.603   8.386  -3.728  0.00  0.00
ATOM     80  C3' CPN     4      10.122   7.349  -1.932  0.00  0.00
ATOM     81 1H3' CPN     4      10.628   6.722  -1.203  0.00  0.00
ATOM     82 2H3' CPN     4       9.854   8.273  -1.423  0.00  0.00
ATOM     83  N4' CPN     4       8.902   6.727  -2.444  0.00  0.00
ATOM     84  C7' CPN     4       8.609   5.419  -2.331  0.00  0.00
ATOM     85  O7' CPN     4       7.526   4.980  -2.717  0.00  0.00
ATOM     86  C8' CPN     4       9.619   4.459  -1.692  0.00  0.00
ATOM     87 1H8' CPN     4       9.909   4.835  -0.712  0.00  0.00
ATOM     88 2H8' CPN     4      10.511   4.413  -2.314  0.00  0.00
ATOM     89  N1  CPN     4       9.066   3.093  -1.539  0.00  0.00
ATOM     90  C6  CPN     4       9.251   2.163  -2.521  0.00  0.00
ATOM     91  H6  CPN     4       9.808   2.412  -3.412  0.00  0.00
ATOM     92  C5  CPN     4       8.727   0.930  -2.378  0.00  0.00
ATOM     93  H5  CPN     4       8.875   0.190  -3.149  0.00  0.00
ATOM     94  C4  CPN     4       7.987   0.675  -1.198  0.00  0.00
ATOM     95  N4  CPN     4       7.452  -0.492  -1.002  0.00  0.00
ATOM     96  H41 CPN     4       7.566  -1.225  -1.681  0.00  0.00
ATOM     97  H42 CPN     4       6.883  -0.609  -0.171  0.00  0.00
ATOM     98  N3  CPN     4       7.776   1.566  -0.257  0.00  0.00
ATOM     99  C2  CPN     4       8.297   2.792  -0.421  0.00  0.00
ATOM    100  O2  CPN     4       8.066   3.617   0.458  0.00  0.00
ATOM    101  C5' CPN     4       7.969   7.627  -3.144  0.00  0.00
ATOM    102 1H5' CPN     4       7.268   7.063  -3.760  0.00  0.00
ATOM    103 2H5' CPN     4       8.523   8.260  -3.836  0.00  0.00
ATOM    104  C'  CPN     4       7.151   8.542  -2.250  0.00  0.00
ATOM    105  O1' CPN     4       6.572   9.492  -2.767  0.00  0.00
ATOM    106  N1' APN     5       7.116   8.322  -0.933  0.00  0.00
ATOM    107  H1' APN     5       7.630   7.529  -0.573  0.00  0.00
ATOM    108  C2' APN     5       6.521   9.261   0.025  0.00  0.00
ATOM    109 1H2' APN     5       7.293   9.587   0.726  0.00  0.00
ATOM    110 2H2' APN     5       6.158  10.159  -0.477  0.00  0.00
ATOM    111  C3' APN     5       5.390   8.641   0.837  0.00  0.00
ATOM    112 1H3' APN     5       5.803   7.857   1.465  0.00  0.00
ATOM    113 2H3' APN     5       4.990   9.405   1.502  0.00  0.00
ATOM    114  N4' APN     5       4.320   8.146  -0.011  0.00  0.00
ATOM    115  C7' APN     5       4.103   6.865  -0.341  0.00  0.00
ATOM    116  O7' APN     5       3.211   6.535  -1.125  0.00  0.00
ATOM    117  C8' APN     5       5.000   5.803   0.280  0.00  0.00
ATOM    118 1H8' APN     5       6.019   5.931  -0.082  0.00  0.00
ATOM    119 2H8' APN     5       5.005   5.917   1.363  0.00  0.00
ATOM    120  N9  APN     5       4.551   4.443  -0.033  0.00  0.00
ATOM    121  C8  APN     5       5.012   3.598  -1.003  0.00  0.00
ATOM    122  H8  APN     5       5.773   3.871  -1.716  0.00  0.00
ATOM    123  N7  APN     5       4.479   2.412  -0.969  0.00  0.00
ATOM    124  C5  APN     5       3.552   2.515   0.070  0.00  0.00
ATOM    125  C6  APN     5       2.612   1.642   0.653  0.00  0.00
ATOM    126  N6  APN     5       2.435   0.390   0.305  0.00  0.00
ATOM    127  H61 APN     5       1.719  -0.143   0.785  0.00  0.00
ATOM    128  H62 APN     5       3.016  -0.020  -0.410  0.00  0.00
ATOM    129  N1  APN     5       1.798   2.052   1.621  0.00  0.00
ATOM    130  C2  APN     5       1.911   3.304   2.034  0.00  0.00
ATOM    131  H21 APN     5       1.244   3.604   2.834  0.00  0.00
ATOM    132  N3  APN     5       2.752   4.233   1.601  0.00  0.00
ATOM    133  C4  APN     5       3.554   3.767   0.610  0.00  0.00
ATOM    134  C5' APN     5       3.501   9.171  -0.569  0.00  0.00
ATOM    135 1H5' APN     5       3.150   8.886  -1.563  0.00  0.00
ATOM    136 2H5' APN     5       4.077  10.084  -0.709  0.00  0.00
ATOM    137  C'  APN     5       2.349   9.526   0.258  0.00  0.00
ATOM    138  O1' APN     5       1.490   9.833  -0.214  0.00  0.00
ATOM    139  N1' TPN     6       1.906   9.588   1.388  0.00  0.00
ATOM    140  H1' TPN     6       2.540   9.224   2.088  0.00  0.00
ATOM    141  C2' TPN     6       0.733  10.316   1.941  0.00  0.00
ATOM    142 1H2' TPN     6       1.060  10.842   2.840  0.00  0.00
ATOM    143 2H2' TPN     6       0.327  11.077   1.271  0.00  0.00
ATOM    144  C3' TPN     6      -0.343   9.342   2.359  0.00  0.00
ATOM    145 1H3' TPN     6       0.111   8.519   2.904  0.00  0.00
ATOM    146 2H3' TPN     6      -0.988   9.860   3.067  0.00  0.00
ATOM    147  N4' TPN     6      -1.183   8.886   1.257  0.00  0.00
ATOM    148  C7' TPN     6      -1.165   7.648   0.735  0.00  0.00
ATOM    149  O7' TPN     6      -1.988   7.304  -0.118  0.00  0.00
ATOM    150  C8' TPN     6      -0.126   6.648   1.237  0.00  0.00
ATOM    151 1H8' TPN     6       0.870   7.023   1.004  0.00  0.00
ATOM    152 2H8' TPN     6      -0.199   6.553   2.320  0.00  0.00
ATOM    153  N1  TPN     6      -0.297   5.319   0.619  0.00  0.00
ATOM    154  C6  TPN     6       0.367   5.026  -0.544  0.00  0.00
ATOM    155  H6  TPN     6       0.973   5.781  -1.023  0.00  0.00
ATOM    156  C5  TPN     6       0.287   3.787  -1.079  0.00  0.00
ATOM    157  C7  TPN     6       1.112   3.460  -2.298  0.00  0.00
ATOM    158  H71 TPN     6       1.775   4.286  -2.559  0.00  0.00
ATOM    159  H72 TPN     6       0.446   3.250  -3.135  0.00  0.00
ATOM    160  H73 TPN     6       1.709   2.568  -2.108  0.00  0.00
ATOM    161  C4  TPN     6      -0.548   2.765  -0.463  0.00  0.00
ATOM    162  O4  TPN     6      -0.715   1.619  -0.858  0.00  0.00
ATOM    163  N3  TPN     6      -1.190   3.149   0.676  0.00  0.00
ATOM    164  H3  TPN     6      -1.740   2.449   1.149  0.00  0.00
ATOM    165  C2  TPN     6      -1.093   4.371   1.264  0.00  0.00
ATOM    166  O2  TPN     6      -1.668   4.555   2.327  0.00  0.00
ATOM    167  C5' TPN     6      -2.158   9.865   0.766  0.00  0.00
ATOM    168 1H5' TPN     6      -2.282   9.755  -0.312  0.00  0.00
ATOM    169 2H5' TPN     6      -1.789  10.876   0.937  0.00  0.00
ATOM    170  C'  TPN     6      -3.528   9.773   1.412  0.00  0.00
ATOM    171  O1' TPN     6      -4.411  10.533   1.030  0.00  0.00
ATOM    172  N1' GPN     7      -3.728   8.901   2.398  0.00  0.00
ATOM    173  H1' GPN     7      -2.959   8.301   2.666  0.00  0.00
ATOM    174  C2' GPN     7      -4.915   8.926   3.248  0.00  0.00
ATOM    175 1H2' GPN     7      -4.598   9.135   4.272  0.00  0.00
ATOM    176 2H2' GPN     7      -5.597   9.727   2.964  0.00  0.00
ATOM    177  C3' GPN     7      -5.649   7.599   3.266  0.00  0.00
ATOM    178 1H3' GPN     7      -4.958   6.821   3.571  0.00  0.00
ATOM    179 2H3' GPN     7      -6.415   7.660   4.038  0.00  0.00
ATOM    180  N4' GPN     7      -6.301   7.317   1.995  0.00  0.00
ATOM    181  C7' GPN     7      -5.874   6.411   1.102  0.00  0.00
ATOM    182  O7' GPN     7      -6.494   6.229   0.054  0.00  0.00
ATOM    183  C8' GPN     7      -4.611   5.597   1.392  0.00  0.00
ATOM    184 1H8' GPN     7      -3.735   6.224   1.254  0.00  0.00
ATOM    185 2H8' GPN     7      -4.615   5.240   2.421  0.00  0.00
ATOM    186  N9  GPN     7      -4.531   4.418   0.521  0.00  0.00
ATOM    187  C8  GPN     7      -3.929   4.291  -0.701  0.00  0.00
ATOM    188  H8  GPN     7      -3.334   5.081  -1.146  0.00  0.00
ATOM    189  N7  GPN     7      -4.141   3.143  -1.280  0.00  0.00
ATOM    190  C5  GPN     7      -4.959   2.467  -0.375  0.00  0.00
ATOM    191  C6  GPN     7      -5.578   1.177  -0.438  0.00  0.00
ATOM    192  O6  GPN     7      -5.537   0.332  -1.326  0.00  0.00
ATOM    193  N1  GPN     7      -6.327   0.871   0.669  0.00  0.00
ATOM    194  H1  GPN     7      -6.774  -0.034   0.650  0.00  0.00
ATOM    195  C2  GPN     7      -6.483   1.698   1.732  0.00  0.00
ATOM    196  N2  GPN     7      -7.242   1.284   2.714  0.00  0.00
ATOM    197  H21 GPN     7      -7.323   1.896   3.507  0.00  0.00
ATOM    198  H22 GPN     7      -7.741   0.402   2.681  0.00  0.00
ATOM    199  N3  GPN     7      -5.951   2.915   1.828  0.00  0.00
ATOM    200  C4  GPN     7      -5.191   3.240   0.739  0.00  0.00
ATOM    201  C5' GPN     7      -7.499   8.116   1.706  0.00  0.00
ATOM    202 1H5' GPN     7      -7.688   8.167   0.634  0.00  0.00
ATOM    203 2H5' GPN     7      -7.344   9.145   2.026  0.00  0.00
ATOM    204  C'  GPN     7      -8.767   7.633   2.374  0.00  0.00
ATOM    205  O1' GPN     7      -9.778   8.316   2.281  0.00  0.00
ATOM    206  N1' CPN     8      -8.754   6.509   3.078  0.00  0.00
ATOM    207  H1' CPN     8      -7.891   5.982   3.126  0.00  0.00
ATOM    208  C2' CPN     8      -9.865   6.115   3.939  0.00  0.00
ATOM    209 1H2' CPN     8      -9.486   5.971   4.954  0.00  0.00
ATOM    210 2H2' CPN     8     -10.625   6.895   3.998  0.00  0.00
ATOM    211  C3' CPN     8     -10.503   4.818   3.503  0.00  0.00
ATOM    212 1H3' CPN     8      -9.767   4.025   3.545  0.00  0.00
ATOM    213 2H3' CPN     8     -11.275   4.564   4.229  0.00  0.00
ATOM    214  N4' CPN     8     -11.123   4.963   2.208  0.00  0.00
ATOM    215  C7' CPN     8     -10.587   4.581   1.051  0.00  0.00
ATOM    216  O7' CPN     8     -11.175   4.773  -0.009  0.00  0.00
ATOM    217  C8' CPN     8      -9.233   3.882   1.054  0.00  0.00
ATOM    218 1H8' CPN     8      -8.444   4.628   1.136  0.00  0.00
ATOM    219 2H8' CPN     8      -9.152   3.204   1.898  0.00  0.00
ATOM    220  N1  CPN     8      -9.037   3.068  -0.154  0.00  0.00
ATOM    221  C6  CPN     8      -8.197   3.497  -1.134  0.00  0.00
ATOM    222  H6  CPN     8      -7.677   4.441  -1.040  0.00  0.00
ATOM    223  C5  CPN     8      -8.008   2.728  -2.222  0.00  0.00
ATOM    224  H5  CPN     8      -7.335   3.054  -3.000  0.00  0.00
ATOM    225  C4  CPN     8      -8.719   1.506  -2.283  0.00  0.00
ATOM    226  N4  CPN     8      -8.581   0.718  -3.304  0.00  0.00
ATOM    227  H41 CPN     8      -7.956   0.961  -4.054  0.00  0.00
ATOM    228  H42 CPN     8      -9.111  -0.147  -3.298  0.00  0.00
ATOM    229  N3  CPN     8      -9.558   1.096  -1.360  0.00  0.00
ATOM    230  C2  CPN     8      -9.734   1.872  -0.281  0.00  0.00
ATOM    231  O2  CPN     8     -10.518   1.472   0.575  0.00  0.00
ATOM    232  C5' CPN     8     -12.388   5.670   2.224  0.00  0.00
ATOM    233 1H5' CPN     8     -12.422   6.385   1.400  0.00  0.00
ATOM    234 2H5' CPN     8     -12.491   6.250   3.141  0.00  0.00
ATOM    235  C'  CPN     8     -13.564   4.810   2.135  0.00  0.00
ATOM    236  O1' CPN     8     -14.620   5.293   1.973  0.00  0.00
ATOM    237  N1' CPN     9     -13.490   3.555   2.235  0.00  0.00
ATOM    238  H1' CPN     9     -12.588   3.115   2.365  0.00  0.00
ATOM    239  C2' CPN     9     -14.669   2.825   2.453  0.00  0.00
ATOM    240 1H2' CPN     9     -14.493   2.230   3.354  0.00  0.00
ATOM    241 2H2' CPN     9     -15.543   3.418   2.718  0.00  0.00
ATOM    242  C3' CPN     9     -14.963   1.889   1.435  0.00  0.00
ATOM    243 1H3' CPN     9     -14.177   1.158   1.365  0.00  0.00
ATOM    244 2H3' CPN     9     -15.732   1.264   1.890  0.00  0.00
ATOM    245  N4' CPN     9     -15.601   2.380   0.313  0.00  0.00
ATOM    246  C7' CPN     9     -15.126   2.213  -0.837  0.00  0.00
ATOM    247  O7' CPN     9     -15.829   2.451  -1.795  0.00  0.00
ATOM    248  C8' CPN     9     -13.697   1.776  -0.932  0.00  0.00
ATOM    249 1H8' CPN     9     -13.089   2.678  -1.025  0.00  0.00
ATOM    250 2H8' CPN     9     -13.248   1.203  -0.142  0.00  0.00
ATOM    251  N1  CPN     9     -13.537   0.939  -2.071  0.00  0.00
ATOM    252  C6  CPN     9     -12.785   1.405  -3.071  0.00  0.00
ATOM    253  H6  CPN     9     -12.309   2.380  -3.018  0.00  0.00
ATOM    254  C5  CPN     9     -12.614   0.632  -4.140  0.00  0.00
ATOM    255  H5  CPN     9     -12.000   0.976  -4.959  0.00  0.00
ATOM    256  C4  CPN     9     -13.253  -0.614  -4.136  0.00  0.00
ATOM    257  N4  CPN     9     -13.115  -1.394  -5.141  0.00  0.00
ATOM    258  H41 CPN     9     -12.532  -1.123  -5.914  0.00  0.00
ATOM    259  H42 CPN     9     -13.563  -2.298  -5.105  0.00  0.00
ATOM    260  N3  CPN     9     -14.011  -1.060  -3.184  0.00  0.00
ATOM    261  C2  CPN     9     -14.175  -0.285  -2.127  0.00  0.00
ATOM    262  O2  CPN     9     -14.882  -0.712  -1.232  0.00  0.00
ATOM    263  C5' CPN     9     -16.875   2.960   0.436  0.00  0.00
ATOM    264 1H5' CPN     9     -16.978   3.818  -0.231  0.00  0.00
ATOM    265 2H5' CPN     9     -17.049   3.341   1.440  0.00  0.00
ATOM    266  C'  CPN     9     -17.876   2.056   0.153  0.00  0.00
ATOM    267  O1' CPN     9     -18.841   2.146   0.568  0.00  0.00
ATOM    268  N   NME    10     -17.928   1.088  -0.440  0.00  0.00
ATOM    269  H   NME    10     -17.097   0.807  -0.940  0.00  0.00
ATOM    270  CH3 NME    10     -19.107   0.310  -0.611  0.00  0.00
ATOM    271 1HH3 NME    10     -19.901   0.876  -1.108  0.00  0.00
ATOM    272 2HH3 NME    10     -19.472  -0.098   0.337  0.00  0.00
ATOM    273 3HH3 NME    10     -18.875  -0.541  -1.253  0.00  0.00
ATOM    274 1HH3 ACE    11     -19.988  -7.322  -2.828  0.00  0.00
ATOM    275  CH3 ACE    11     -20.264  -8.256  -2.277  0.00  0.00
ATOM    276 2HH3 ACE    11     -21.294  -8.346  -2.660  0.00  0.00
ATOM    277 3HH3 ACE    11     -19.949  -9.156  -2.829  0.00  0.00
ATOM    278  C   ACE    11     -20.406  -8.376  -1.124  0.00  0.00
ATOM    279  O   ACE    11     -20.564  -7.399  -0.884  0.00  0.00
ATOM    280  N1' GPN    12     -19.470  -8.285  -0.769  0.00  0.00
ATOM    281  H1' GPN    12     -18.991  -7.412  -0.976  0.00  0.00
ATOM    282  C2' GPN    12     -18.972  -9.304  -0.594  0.00  0.00
ATOM    283 1H2' GPN    12     -19.544 -10.008   0.046  0.00  0.00
ATOM    284 2H2' GPN    12     -18.610  -9.893  -1.480  0.00  0.00
ATOM    285  C3' GPN    12     -18.350  -8.534   0.173  0.00  0.00
ATOM    286 1H3' GPN    12     -18.126  -7.404   0.291  0.00  0.00
ATOM    287 2H3' GPN    12     -18.506  -8.859   1.216  0.00  0.00
ATOM    288  N4' GPN    12     -17.234  -8.884  -0.359  0.00  0.00
ATOM    289  C7' GPN    12     -16.737  -8.399  -1.389  0.00  0.00
ATOM    290  O7' GPN    12     -15.572  -8.580  -1.433  0.00  0.00
ATOM    291  C8' GPN    12     -17.567  -7.765  -2.438  0.00  0.00
ATOM    292 1H8' GPN    12     -18.183  -6.958  -2.064  0.00  0.00
ATOM    293 2H8' GPN    12     -18.036  -8.529  -3.049  0.00  0.00
ATOM    294  N9  GPN    12     -16.764  -7.077  -3.278  0.00  0.00
ATOM    295  C8  GPN    12     -16.332  -7.466  -4.463  0.00  0.00
ATOM    296  H8  GPN    12     -16.565  -8.425  -4.914  0.00  0.00
ATOM    297  N7  GPN    12     -15.610  -6.568  -5.019  0.00  0.00
ATOM    298  C5  GPN    12     -15.599  -5.553  -4.090  0.00  0.00
ATOM    299  C6  GPN    12     -14.986  -4.302  -4.127  0.00  0.00
ATOM    300  O6  GPN    12     -14.318  -3.822  -5.012  0.00  0.00
ATOM    301  N1  GPN    12     -15.195  -3.563  -3.018  0.00  0.00
ATOM    302  H1  GPN    12     -14.749  -2.666  -2.997  0.00  0.00
ATOM    303  C2  GPN    12     -15.919  -3.974  -1.970  0.00  0.00
ATOM    304  N2  GPN    12     -16.016  -3.174  -0.966  0.00  0.00
ATOM    305  H21 GPN    12     -16.573  -3.475  -0.190  0.00  0.00
ATOM    306  H22 GPN    12     -15.547  -2.278  -0.945  0.00  0.00
ATOM    307  N3  GPN    12     -16.523  -5.139  -1.870  0.00  0.00
ATOM    308  C4  GPN    12     -16.311  -5.867  -2.988  0.00  0.00
ATOM    309  C5' GPN    12     -16.616  -9.761   0.478  0.00  0.00
ATOM    310 1H5' GPN    12     -15.991 -10.449  -0.097  0.00  0.00
ATOM    311 2H5' GPN    12     -17.298 -10.429   1.018  0.00  0.00
ATOM    312  C'  GPN    12     -15.819  -9.148   1.383  0.00  0.00
ATOM    313  O1' GPN    12     -15.116  -9.763   2.118  0.00  0.00
ATOM    314  N1' GPN    13     -15.911  -7.956   1.401  0.00  0.00
ATOM    315  H1' GPN    13     -16.488  -7.400   0.785  0.00  0.00
ATOM    316  C2' GPN    13     -15.350  -7.511   2.483  0.00  0.00
ATOM    317 1H2' GPN    13     -16.048  -6.795   2.931  0.00  0.00
ATOM    318 2H2' GPN    13     -14.995  -8.092   3.345  0.00  0.00
ATOM    319  C3' GPN    13     -14.406  -6.844   1.925  0.00  0.00
ATOM    320 1H3' GPN    13     -14.886  -6.105   1.296  0.00  0.00
ATOM    321 2H3' GPN    13     -14.171  -6.156   2.737  0.00  0.00
ATOM    322  N4' GPN    13     -13.110  -7.243   1.620  0.00  0.00
ATOM    323  C7' GPN    13     -12.545  -6.549   0.644  0.00  0.00
ATOM    324  O7' GPN    13     -11.326  -6.543   0.542  0.00  0.00
ATOM    325  C8' GPN    13     -13.417  -5.784  -0.364  0.00  0.00
ATOM    326 1H8' GPN    13     -14.057  -6.477  -0.907  0.00  0.00
ATOM    327 2H8' GPN    13     -14.021  -5.018   0.116  0.00  0.00
ATOM    328  N9  GPN    13     -12.609  -5.025  -1.293  0.00  0.00
ATOM    329  C8  GPN    13     -12.128  -5.419  -2.500  0.00  0.00
ATOM    330  H8  GPN    13     -12.320  -6.399  -2.923  0.00  0.00
ATOM    331  N7  GPN    13     -11.421  -4.506  -3.097  0.00  0.00
ATOM    332  C5  GPN    13     -11.439  -3.436  -2.202  0.00  0.00
ATOM    333  C6  GPN    13     -10.838  -2.141  -2.271  0.00  0.00
ATOM    334  O6  GPN    13     -10.157  -1.642  -3.161  0.00  0.00
ATOM    335  N1  GPN    13     -11.066  -1.368  -1.162  0.00  0.00
ATOM    336  H1  GPN    13     -10.620  -0.463  -1.171  0.00  0.00
ATOM    337  C2  GPN    13     -11.797  -1.771  -0.094  0.00  0.00
ATOM    338  N2  GPN    13     -11.902  -0.944   0.913  0.00  0.00
ATOM    339  H21 GPN    13     -12.457  -1.256   1.691  0.00  0.00
ATOM    340  H22 GPN    13     -11.411  -0.056   0.942  0.00  0.00
ATOM    341  N3  GPN    13     -12.390  -2.960   0.013  0.00  0.00
ATOM    342  C4  GPN    13     -12.166  -3.751  -1.081  0.00  0.00
ATOM    343  C5' GPN    13     -12.316  -8.009   2.555  0.00  0.00
ATOM    344 1H5' GPN    13     -11.393  -8.351   2.085  0.00  0.00
ATOM    345 2H5' GPN    13     -12.865  -8.910   2.827  0.00  0.00
ATOM    346  C'  GPN    13     -11.946  -7.300   3.823  0.00  0.00
ATOM    347  O1' GPN    13     -11.766  -7.962   4.761  0.00  0.00
ATOM    348  N1' CPN    14     -11.862  -6.028   4.040  0.00  0.00
ATOM    349  H1' CPN    14     -12.045  -5.411   3.260  0.00  0.00
ATOM    350  C2' CPN    14     -11.717  -5.447   5.382  0.00  0.00
ATOM    351 1H2' CPN    14     -12.705  -5.174   5.760  0.00  0.00
ATOM    352 2H2' CPN    14     -11.276  -6.140   6.099  0.00  0.00
ATOM    353  C3' CPN    14     -10.876  -4.195   5.319  0.00  0.00
ATOM    354 1H3' CPN    14     -11.360  -3.476   4.664  0.00  0.00
ATOM    355 2H3' CPN    14     -10.851  -3.757   6.314  0.00  0.00
ATOM    356  N4' CPN    14      -9.506  -4.490   4.902  0.00  0.00
ATOM    357  C7' CPN    14      -8.996  -4.200   3.693  0.00  0.00
ATOM    358  O7' CPN    14      -7.811  -4.415   3.443  0.00  0.00
ATOM    359  C8' CPN    14      -9.887  -3.571   2.617  0.00  0.00
ATOM    360 1H8' CPN    14     -10.669  -4.277   2.341  0.00  0.00
ATOM    361 2H8' CPN    14     -10.365  -2.678   3.017  0.00  0.00
ATOM    362  N1  CPN    14      -9.120  -3.203   1.406  0.00  0.00
ATOM    363  C6  CPN    14      -9.005  -4.087   0.372  0.00  0.00
ATOM    364  H6  CPN    14      -9.479  -5.057   0.425  0.00  0.00
ATOM    365  C5  CPN    14      -8.295  -3.744  -0.720  0.00  0.00
ATOM    366  H5  CPN    14      -8.207  -4.436  -1.544  0.00  0.00
ATOM    367  C4  CPN    14      -7.686  -2.466  -0.720  0.00  0.00
ATOM    368  N4  CPN    14      -6.988  -2.076  -1.742  0.00  0.00
ATOM    369  H41 CPN    14      -6.883  -2.673  -2.544  0.00  0.00
ATOM    370  H42 CPN    14      -6.534  -1.172  -1.677  0.00  0.00
ATOM    371  N3  CPN    14      -7.763  -1.615   0.278  0.00  0.00
ATOM    372  C2  CPN    14      -8.464  -1.979   1.362  0.00  0.00
ATOM    373  O2  CPN    14      -8.500  -1.182   2.296  0.00  0.00
ATOM    374  C5' CPN    14      -8.674  -5.183   5.894  0.00  0.00
ATOM    375 1H5' CPN    14      -7.799  -5.637   5.428  0.00  0.00
ATOM    376 2H5' CPN    14      -9.230  -6.008   6.335  0.00  0.00
ATOM    377  C'  CPN    14      -8.178  -4.312   7.023  0.00  0.00
ATOM    378  O1' CPN    14      -7.866  -4.831   8.058  0.00  0.00
ATOM    379  N1' APN    15      -8.128  -3.005   6.949  0.00  0.00
ATOM    380  H1' APN    15      -8.437  -2.567   6.091  0.00  0.00
ATOM    381  C2' APN    15      -7.831  -2.158   8.111  0.00  0.00
ATOM    382 1H2' APN    15      -8.752  -1.676   8.445  0.00  0.00
ATOM    383 2H2' APN    15      -7.437  -2.729   8.953  0.00  0.00
ATOM    384  C3' APN    15      -6.835  -1.075   7.757  0.00  0.00
ATOM    385 1H3' APN    15      -7.234  -0.473   6.945  0.00  0.00
ATOM    386 2H3' APN    15      -6.732  -0.424   8.623  0.00  0.00
ATOM    387  N4' APN    15      -5.536  -1.656   7.431  0.00  0.00
ATOM    388  C7' APN    15      -5.072  -1.835   6.181  0.00  0.00
ATOM    389  O7' APN    15      -3.996  -2.398   5.976  0.00  0.00
ATOM    390  C8' APN    15      -5.899  -1.332   4.993  0.00  0.00
ATOM    391 1H8' APN    15      -6.819  -1.910   4.916  0.00  0.00
ATOM    392 2H8' APN    15      -6.166  -0.288   5.151  0.00  0.00
ATOM    393  N9  APN    15      -5.173  -1.426   3.717  0.00  0.00
ATOM    394  C8  APN    15      -5.316  -2.351   2.720  0.00  0.00
ATOM    395  H8  APN    15      -5.975  -3.202   2.791  0.00  0.00
ATOM    396  N7  APN    15      -4.615  -2.099   1.654  0.00  0.00
ATOM    397  C5  APN    15      -3.910  -0.948   2.008  0.00  0.00
ATOM    398  C6  APN    15      -2.957  -0.131   1.368  0.00  0.00
ATOM    399  N6  APN    15      -2.528  -0.301   0.140  0.00  0.00
ATOM    400  H61 APN    15      -1.828   0.341  -0.216  0.00  0.00
ATOM    401  H62 APN    15      -2.907  -1.043  -0.427  0.00  0.00
ATOM    402  N1  APN    15      -2.394   0.895   2.000  0.00  0.00
ATOM    403  C2  APN    15      -2.771   1.136   3.246  0.00  0.00
ATOM    404  H21 APN    15      -2.305   1.986   3.730  0.00  0.00
ATOM    405  N3  APN    15      -3.666   0.477   3.971  0.00  0.00
ATOM    406  C4  APN    15      -4.204  -0.564   3.284  0.00  0.00
ATOM    407  C5' APN    15      -4.688  -1.987   8.585  0.00  0.00
ATOM    408 1H5' APN    15      -4.004  -2.802   8.346  0.00  0.00
ATOM    409 2H5' APN    15      -5.300  -2.329   9.420  0.00  0.00
ATOM    410  C'  APN    15      -3.892  -0.792   9.053  0.00  0.00
ATOM    411  O1' APN    15      -4.209   0.325   8.808  0.00  0.00
ATOM    412  N1' TPN    16      -2.830  -0.938   9.770  0.00  0.00
ATOM    413  H1' TPN    16      -2.519  -1.883   9.964  0.00  0.00
ATOM    414  C2' TPN    16      -2.207   0.156  10.519  0.00  0.00
ATOM    415 1H2' TPN    16      -2.976   0.828  10.906  0.00  0.00
ATOM    416 2H2' TPN    16      -1.685  -0.252  11.385  0.00  0.00
ATOM    417  C3' TPN    16      -1.240   0.986   9.682  0.00  0.00
ATOM    418 1H3' TPN    16      -1.788   1.485   8.889  0.00  0.00
ATOM    419 2H3' TPN    16      -0.828   1.765  10.322  0.00  0.00
ATOM    420  N4' TPN    16      -0.142   0.175   9.176  0.00  0.00
ATOM    421  C7' TPN    16       0.017  -0.184   7.893  0.00  0.00
ATOM    422  O7' TPN    16       1.013  -0.813   7.532  0.00  0.00
ATOM    423  C8' TPN    16      -1.041   0.221   6.870  0.00  0.00
ATOM    424 1H8' TPN    16      -1.983  -0.263   7.121  0.00  0.00
ATOM    425 2H8' TPN    16      -1.198   1.298   6.907  0.00  0.00
ATOM    426  N1  TPN    16      -0.652  -0.163   5.500  0.00  0.00
ATOM    427  C6  TPN    16      -1.071  -1.363   4.986  0.00  0.00
ATOM    428  H6  TPN    16      -1.684  -2.022   5.584  0.00  0.00
ATOM    429  C5  TPN    16      -0.732  -1.718   3.727  0.00  0.00
ATOM    430  C7  TPN    16      -1.278  -3.003   3.153  0.00  0.00
ATOM    431  H71 TPN    16      -1.786  -2.797   2.212  0.00  0.00
ATOM    432  H72 TPN    16      -1.976  -3.477   3.843  0.00  0.00
ATOM    433  H73 TPN    16      -0.451  -3.683   2.949  0.00  0.00
ATOM    434  C4  TPN    16       0.124  -0.861   2.918  0.00  0.00
ATOM    435  O4  TPN    16       0.523  -1.083   1.783  0.00  0.00
ATOM    436  N3  TPN    16       0.496   0.310   3.509  0.00  0.00
ATOM    437  H3  TPN    16       1.052   0.943   2.957  0.00  0.00
ATOM    438  C2  TPN    16       0.137   0.715   4.756  0.00  0.00
ATOM    439  O2  TPN    16       0.492   1.821   5.137  0.00  0.00
ATOM    440  C5' TPN    16       0.861  -0.221  10.169  0.00  0.00
ATOM    441 1H5' TPN    16       1.251  -1.212   9.933  0.00  0.00
ATOM    442 2H5' TPN    16       0.407  -0.293  11.156  0.00  0.00
ATOM    443  C'  TPN    16       2.034   0.730  10.292  0.00  0.00
ATOM    444  O1' TPN    16       2.941   0.457  11.067  0.00  0.00
ATOM    445  N1' GPN    17       2.040   1.856   9.589  0.00  0.00
ATOM    446  H1' GPN    17       1.264   2.029   8.964  0.00  0.00
ATOM    447  C2' GPN    17       2.993   2.937   9.823  0.00  0.00
ATOM    448 1H2' GPN    17       2.433   3.847  10.050  0.00  0.00
ATOM    449 2H2' GPN    17       3.625   2.737  10.688  0.00  0.00
ATOM    450  C3' GPN    17       3.849   3.223   8.602  0.00  0.00
ATOM    451 1H3' GPN    17       3.198   3.466   7.770  0.00  0.00
ATOM    452 2H3' GPN    17       4.435   4.117   8.812  0.00  0.00
ATOM    453  N4' GPN    17       4.763   2.134   8.309  0.00  0.00
ATOM    454  C7' GPN    17       4.616   1.233   7.335  0.00  0.00
ATOM    455  O7' GPN    17       5.431   0.320   7.188  0.00  0.00
ATOM    456  C8' GPN    17       3.423   1.346   6.397  0.00  0.00
ATOM    457 1H8' GPN    17       2.534   0.967   6.892  0.00  0.00
ATOM    458 2H8' GPN    17       3.245   2.384   6.122  0.00  0.00
ATOM    459  N9  GPN    17       3.672   0.611   5.154  0.00  0.00
ATOM    460  C8  GPN    17       3.299  -0.661   4.819  0.00  0.00
ATOM    461  H8  GPN    17       2.660  -1.271   5.448  0.00  0.00
ATOM    462  N7  GPN    17       3.788  -1.070   3.682  0.00  0.00
ATOM    463  C5  GPN    17       4.557   0.010   3.246  0.00  0.00
ATOM    464  C6  GPN    17       5.380   0.185   2.086  0.00  0.00
ATOM    465  O6  GPN    17       5.618  -0.595   1.169  0.00  0.00
ATOM    466  N1  GPN    17       5.980   1.417   2.014  0.00  0.00
ATOM    467  H1  GPN    17       6.553   1.571   1.197  0.00  0.00
ATOM    468  C2  GPN    17       5.827   2.391   2.945  0.00  0.00
ATOM    469  N2  GPN    17       6.461   3.519   2.753  0.00  0.00
ATOM    470  H21 GPN    17       6.306   4.243   3.433  0.00  0.00
ATOM    471  H22 GPN    17       7.076   3.669   1.960  0.00  0.00
ATOM    472  N3  GPN    17       5.098   2.268   4.053  0.00  0.00
ATOM    473  C4  GPN    17       4.479   1.051   4.141  0.00  0.00
ATOM    474  C5' GPN    17       5.890   2.023   9.200  0.00  0.00
ATOM    475 1H5' GPN    17       6.297   1.012   9.216  0.00  0.00
ATOM    476 2H5' GPN    17       5.573   2.222  10.223  0.00  0.00
ATOM    477  C'  GPN    17       6.999   2.953   8.897  0.00  0.00
ATOM    478  O1' GPN    17       7.817   3.062   9.660  0.00  0.00
ATOM    479  N1' CPN    18       7.202   3.724   7.928  0.00  0.00
ATOM    480  H1' CPN    18       6.503   3.728   7.195  0.00  0.00
ATOM    481  C2' CPN    18       8.257   4.742   7.877  0.00  0.00
ATOM    482 1H2' CPN    18       7.784   5.722   7.778  0.00  0.00
ATOM    483 2H2' CPN    18       8.890   4.795   8.765  0.00  0.00
ATOM    484  C3' CPN    18       9.119   4.534   6.671  0.00  0.00
ATOM    485 1H3' CPN    18       8.507   4.548   5.777  0.00  0.00
ATOM    486 2H3' CPN    18       9.789   5.389   6.592  0.00  0.00
ATOM    487  N4' CPN    18       9.917   3.344   6.807  0.00  0.00
ATOM    488  C7' CPN    18       9.622   2.153   6.297  0.00  0.00
ATOM    489  O7' CPN    18      10.359   1.189   6.476  0.00  0.00
ATOM    490  C8' CPN    18       8.361   1.995   5.464  0.00  0.00
ATOM    491 1H8' CPN    18       7.512   1.833   6.126  0.00  0.00
ATOM    492 2H8' CPN    18       8.169   2.880   4.867  0.00  0.00
ATOM    493  N1  CPN    18       8.476   0.877   4.520  0.00  0.00
ATOM    494  C6  CPN    18       7.766  -0.262   4.732  0.00  0.00
ATOM    495  H6  CPN    18       7.119  -0.358   5.594  0.00  0.00
ATOM    496  C5  CPN    18       7.868  -1.272   3.849  0.00  0.00
ATOM    497  H5  CPN    18       7.301  -2.179   4.001  0.00  0.00
ATOM    498  C4  CPN    18       8.734  -1.085   2.747  0.00  0.00
ATOM    499  N4  CPN    18       8.882  -2.019   1.861  0.00  0.00
ATOM    500  H41 CPN    18       8.370  -2.882   1.940  0.00  0.00
ATOM    501  H42 CPN    18       9.515  -1.833   1.090  0.00  0.00
ATOM    502  N3  CPN    18       9.448  -0.002   2.548  0.00  0.00
ATOM    503  C2  CPN    18       9.332   0.995   3.434  0.00  0.00
ATOM    504  O2  CPN    18      10.001   2.004   3.229  0.00  0.00
ATOM    505  C5' CPN    18      11.090   3.508   7.634  0.00  0.00
ATOM    506 1H5' CPN    18      11.204   2.645   8.292  0.00  0.00
ATOM    507 2H5' CPN    18      10.984   4.379   8.281  0.00  0.00
ATOM    508  C'  CPN    18      12.336   3.681   6.882  0.00  0.00
ATOM    509  O1' CPN    18      13.353   3.652   7.454  0.00  0.00
ATOM    510  N1' CPN    19      12.372   3.870   5.630  0.00  0.00
ATOM    511  H1' CPN    19      11.503   3.878   5.110  0.00  0.00
ATOM    512  C2' CPN    19      13.553   4.342   5.025  0.00  0.00
ATOM    513 1H2' CPN    19      13.270   5.222   4.442  0.00  0.00
ATOM    514 2H2' CPN    19      14.290   4.732   5.730  0.00  0.00
ATOM    515  C3' CPN    19      14.142   3.452   4.109  0.00  0.00
ATOM    516 1H3' CPN    19      13.509   3.271   3.257  0.00  0.00
ATOM    517 2H3' CPN    19      14.887   4.071   3.608  0.00  0.00
ATOM    518  N4' CPN    19      14.894   2.470   4.680  0.00  0.00
ATOM    519  C7' CPN    19      14.663   1.257   4.438  0.00  0.00
ATOM    520  O7' CPN    19      15.472   0.412   4.761  0.00  0.00
ATOM    521  C8' CPN    19      13.360   0.934   3.807  0.00  0.00
ATOM    522 1H8' CPN    19      12.743   0.552   4.621  0.00  0.00
ATOM    523 2H8' CPN    19      12.726   1.684   3.368  0.00  0.00
ATOM    524  N1  CPN    19      13.535  -0.069   2.820  0.00  0.00
ATOM    525  C6  CPN    19      12.953  -1.241   3.075  0.00  0.00
ATOM    526  H6  CPN    19      12.360  -1.404   3.970  0.00  0.00
ATOM    527  C5  CPN    19      13.092  -2.217   2.189  0.00  0.00
ATOM    528  H5  CPN    19      12.617  -3.172   2.359  0.00  0.00
ATOM    529  C4  CPN    19      13.865  -1.942   1.058  0.00  0.00
ATOM    530  N4  CPN    19      14.025  -2.850   0.177  0.00  0.00
ATOM    531  H41 CPN    19      13.577  -3.744   0.284  0.00  0.00
ATOM    532  H42 CPN    19      14.567  -2.620  -0.644  0.00  0.00
ATOM    533  N3  CPN    19      14.471  -0.823   0.821  0.00  0.00
ATOM    534  C2  CPN    19      14.326   0.141   1.708  0.00  0.00
ATOM    535  O2  CPN    19      14.892   1.192   1.475  0.00  0.00
ATOM    536  C5' CPN    19      16.058   2.871   5.380  0.00  0.00
ATOM    537 1H5' CPN    19      16.002   2.500   6.406  0.00  0.00
ATOM    538 2H5' CPN    19      16.165   3.955   5.419  0.00  0.00
ATOM    539  C'  CPN    19      17.173   2.388   4.795  0.00  0.00
ATOM    540  O1' CPN    19      18.167   2.415   5.364  0.00  0.00
ATOM    541  N   NME    20      17.086   1.954   3.667  0.00  0.00
ATOM    542  H   NME    20      16.222   1.949   3.149  0.00  0.00
ATOM    543  CH3 NME    20      18.096   1.231   3.270  0.00  0.00
ATOM    544 1HH3 NME    20      18.994   1.840   3.127  0.00  0.00
ATOM    545 2HH3 NME    20      17.853   0.782   2.305  0.00  0.00
ATOM    546 3HH3 NME    20      18.309   0.408   3.960  0.00  0.00
# 546 atoms read from pdb file sa1.pdb.
# 2 GPN beta:  (2 GPN N1')-(2 GPN C2')-(2 GPN C3')-(2 GPN N4') -70.0 -50.0
 &rst     iat =     7,     9,    12,    15,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 3 GPN beta:  (3 GPN N1')-(3 GPN C2')-(3 GPN C3')-(3 GPN N4') -70.0 -50.0
 &rst     iat =    41,    43,    46,    49,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 4 CPN beta:  (4 CPN N1')-(4 CPN C2')-(4 CPN C3')-(4 CPN N4') -70.0 -50.0
 &rst     iat =    75,    77,    80,    83,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 5 APN beta:  (5 APN N1')-(5 APN C2')-(5 APN C3')-(5 APN N4') -70.0 -50.0
 &rst     iat =   106,   108,   111,   114,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 6 TPN beta:  (6 TPN N1')-(6 TPN C2')-(6 TPN C3')-(6 TPN N4') -70.0 -50.0
 &rst     iat =   139,   141,   144,   147,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 7 GPN beta:  (7 GPN N1')-(7 GPN C2')-(7 GPN C3')-(7 GPN N4') -70.0 -50.0
 &rst     iat =   172,   174,   177,   180,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 8 CPN beta:  (8 CPN N1')-(8 CPN C2')-(8 CPN C3')-(8 CPN N4') -70.0 -50.0
 &rst     iat =   206,   208,   211,   214,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 9 CPN beta:  (9 CPN N1')-(9 CPN C2')-(9 CPN C3')-(9 CPN N4') -70.0 -50.0
 &rst     iat =   237,   239,   242,   245,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 12 GPN beta:  (12 GPN N1')-(12 GPN C2')-(12 GPN C3')-(12 GPN N4') -70.0 -50.0
 &rst     iat =   280,   282,   285,   288,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 13 GPN beta:  (13 GPN N1')-(13 GPN C2')-(13 GPN C3')-(13 GPN N4') -70.0 -50.0
 &rst     iat =   314,   316,   319,   322,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 14 CPN beta:  (14 CPN N1')-(14 CPN C2')-(14 CPN C3')-(14 CPN N4') -70.0 -50.0
 &rst     iat =   348,   350,   353,   356,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 15 APN beta:  (15 APN N1')-(15 APN C2')-(15 APN C3')-(15 APN N4') -70.0 -50.0
 &rst     iat =   379,   381,   384,   387,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1  21.995   4.805  -7.211
    2    H2   ACE   1           H2       ACE   1  23.164   5.897  -6.442
    3    H3   ACE   1           H3       ACE   1  21.439   6.321  -6.460
    4   H8'1  GPN   2          H8'1      GPN   2  19.196   1.080  -6.156
    5   H8'2  GPN   2          H8'2      GPN   2  18.900   2.046  -4.714
    6   H5'1  GPN   2          H5'1      GPN   2  16.434   3.651  -8.336
    7   H5'2  GPN   2          H5'2      GPN   2  17.660   4.897  -8.391
    8   H3'1  GPN   2          H3'1      GPN   2  19.941   3.100  -6.686
    9   H3'2  GPN   2          H3'2      GPN   2  19.543   4.621  -7.461
   10   H2'1  GPN   2          H2'1      GPN   2  19.332   5.778  -5.497
   11   H2'2  GPN   2          H2'2      GPN   2  18.647   4.402  -4.627
   12   H1'3  GPN   2          H1'3      GPN   2  20.699   3.890  -3.808
   13    H8   GPN   2           H8       GPN   2  18.056  -1.276  -6.318
   14    HN1  GPN   2           HN1      GPN   2  15.234  -0.451  -0.575
   15   HN21  GPN   2          HN21      GPN   2  16.464   2.819  -0.910
   16   HN22  GPN   2          HN22      GPN   2  15.503   1.746   0.085
   17   H8'1  GPN   3          H8'1      GPN   3  14.748   2.172  -4.231
   18   H8'2  GPN   3          H8'2      GPN   3  14.280   3.065  -2.781
   19   H5'1  GPN   3          H5'1      GPN   3  11.688   4.956  -6.083
   20   H5'2  GPN   3          H5'2      GPN   3  13.102   5.907  -6.407
   21   H3'1  GPN   3          H3'1      GPN   3  14.970   4.772  -3.360
   22   H3'2  GPN   3          H3'2      GPN   3  13.895   6.136  -3.201
   23   H2'1  GPN   3          H2'1      GPN   3  15.941   6.826  -4.195
   24   H2'2  GPN   3          H2'2      GPN   3  14.706   6.960  -5.433
   25   H1'3  GPN   3          H1'3      GPN   3  16.743   4.747  -5.214
   26    H8   GPN   3           H8       GPN   3  13.395  -0.155  -4.640
   27    HN1  GPN   3           HN1      GPN   3  10.599   0.563   1.126
   28   HN21  GPN   3          HN21      GPN   3  11.962   3.804   0.824
   29   HN22  GPN   3          HN22      GPN   3  10.935   2.774   1.818
   30   H8'1  CPN   4          H8'1      CPN   4   9.760   4.968  -0.713
   31   H8'2  CPN   4          H8'2      CPN   4  10.451   4.593  -2.285
   32   H5'1  CPN   4          H5'1      CPN   4   7.087   7.251  -3.694
   33   H5'2  CPN   4          H5'2      CPN   4   8.337   8.452  -3.771
   34   H3'1  CPN   4          H3'1      CPN   4  10.468   6.890  -1.147
   35   H3'2  CPN   4          H3'2      CPN   4   9.658   8.434  -1.307
   36   H2'1  CPN   4          H2'1      CPN   4  11.744   8.492  -2.494
   37   H2'2  CPN   4          H2'2      CPN   4  10.423   8.644  -3.639
   38   H1'3  CPN   4          H1'3      CPN   4  11.772   5.998  -3.171
   39    H5   CPN   4           H5       CPN   4   8.961   0.299  -3.262
   40    H6   CPN   4           H6       CPN   4   9.856   2.557  -3.460
   41   HN41  CPN   4          HN41      CPN   4   7.632  -1.188  -1.850
   42   HN42  CPN   4          HN42      CPN   4   6.922  -0.640  -0.331
   43   H8'1  APN   5          H8'1      APN   5   5.940   6.086  -0.081
   44   H8'2  APN   5          H8'2      APN   5   4.890   6.052   1.334
   45   H5'1  APN   5          H5'1      APN   5   3.186   9.080  -1.763
   46   H5'2  APN   5          H5'2      APN   5   3.951  10.289  -0.772
   47   H3'1  APN   5          H3'1      APN   5   5.536   8.007   1.548
   48   H3'2  APN   5          H3'2      APN   5   4.741   9.565   1.544
   49   H2'1  APN   5          H2'1      APN   5   7.129   9.680   0.924
   50   H2'2  APN   5          H2'2      APN   5   6.062  10.356  -0.293
   51   H1'3  APN   5          H1'3      APN   5   7.540   7.749  -0.506
   52    H8   APN   5           H8       APN   5   5.775   3.995  -1.714
   53   HN61  APN   5          HN61      APN   5   3.066   0.002  -0.406
   54   HN62  APN   5          HN62      APN   5   1.755  -0.129   0.774
   55    H21  APN   5           H21      APN   5   1.095   3.691   2.652
   56   H8'1  TPN   6          H8'1      TPN   6   0.839   7.072   1.048
   57   H8'2  TPN   6          H8'2      TPN   6  -0.224   6.591   2.359
   58   H5'1  TPN   6          H5'1      TPN   6  -2.318   9.908  -0.161
   59   H5'2  TPN   6          H5'2      TPN   6  -1.832  10.975   1.136
   60   H3'1  TPN   6          H3'1      TPN   6   0.078   8.538   3.017
   61   H3'2  TPN   6          H3'2      TPN   6  -0.953   9.940   3.201
   62   H2'1  TPN   6          H2'1      TPN   6   1.234  10.747   2.906
   63   H2'2  TPN   6          H2'2      TPN   6   0.355  11.130   1.436
   64   H1'3  TPN   6          H1'3      TPN   6   2.610   9.223   1.752
   65    H6   TPN   6           H6       TPN   6   0.924   5.855  -1.008
   66    HN3  TPN   6           HN3      TPN   6  -1.674   2.455   1.211
   67   HM51  TPN   6          HM51      TPN   6   1.662   2.620  -2.045
   68   HM52  TPN   6          HM52      TPN   6   1.761   4.314  -2.549
   69   HM53  TPN   6          HM53      TPN   6   0.416   3.282  -3.126
   70   H8'1  GPN   7          H8'1      GPN   7  -3.754   6.228   1.380
   71   H8'2  GPN   7          H8'2      GPN   7  -4.699   5.262   2.511
   72   H5'1  GPN   7          H5'1      GPN   7  -7.770   8.241   0.771
   73   H5'2  GPN   7          H5'2      GPN   7  -7.428   9.204   2.176
   74   H3'1  GPN   7          H3'1      GPN   7  -5.020   6.852   3.691
   75   H3'2  GPN   7          H3'2      GPN   7  -6.494   7.657   4.182
   76   H2'1  GPN   7          H2'1      GPN   7  -4.680   9.156   4.484
   77   H2'2  GPN   7          H2'2      GPN   7  -5.682   9.783   3.191
   78   H1'3  GPN   7          H1'3      GPN   7  -2.994   8.480   2.875
   79    H8   GPN   7           H8       GPN   7  -3.350   5.116  -1.062
   80    HN1  GPN   7           HN1      GPN   7  -6.770  -0.059   0.715
   81   HN21  GPN   7          HN21      GPN   7  -7.330   1.902   3.588
   82   HN22  GPN   7          HN22      GPN   7  -7.738   0.386   2.790
   83   H8'1  CPN   8          H8'1      CPN   8  -8.512   4.557   1.252
   84   H8'2  CPN   8          H8'2      CPN   8  -9.243   3.113   1.946
   85   H5'1  CPN   8          H5'1      CPN   8 -12.554   6.316   1.368
   86   H5'2  CPN   8          H5'2      CPN   8 -12.552   6.355   3.112
   87   H3'1  CPN   8          H3'1      CPN   8  -9.878   3.985   3.621
   88   H3'2  CPN   8          H3'2      CPN   8 -11.396   4.513   4.306
   89   H2'1  CPN   8          H2'1      CPN   8  -9.558   5.876   5.107
   90   H2'2  CPN   8          H2'2      CPN   8 -10.714   6.846   4.212
   91   H1'3  CPN   8          H1'3      CPN   8  -7.967   6.066   3.298
   92    H5   CPN   8           H5       CPN   8  -7.297   3.145  -2.976
   93    H6   CPN   8           H6       CPN   8  -7.679   4.459  -0.957
   94   HN41  CPN   8          HN41      CPN   8  -7.896   1.058  -4.128
   95   HN42  CPN   8          HN42      CPN   8  -9.030  -0.094  -3.410
   96   H8'1  CPN   9          H8'1      CPN   9 -12.872   2.805  -0.786
   97   H8'2  CPN   9          H8'2      CPN   9 -13.237   1.343   0.082
   98   H5'1  CPN   9          H5'1      CPN   9 -17.094   3.861   0.029
   99   H5'2  CPN   9          H5'2      CPN   9 -17.111   3.415   1.714
  100   H3'1  CPN   9          H3'1      CPN   9 -14.448   0.925   1.519
  101   H3'2  CPN   9          H3'2      CPN   9 -16.069   1.071   2.125
  102   H2'1  CPN   9          H2'1      CPN   9 -14.440   1.952   3.707
  103   H2'2  CPN   9          H2'2      CPN   9 -15.608   3.162   3.220
  104   H1'3  CPN   9          H1'3      CPN   9 -12.706   3.119   2.568
  105    H5   CPN   9           H5       CPN   9 -11.740   1.187  -4.918
  106    H6   CPN   9           H6       CPN   9 -12.040   2.546  -2.918
  107   HN41  CPN   9          HN41      CPN   9 -12.356  -0.919  -5.989
  108   HN42  CPN   9          HN42      CPN   9 -13.441  -2.076  -5.219
  109    H1   ACE   1           H1       ACE   1 -21.948  -8.375  -3.405
  110    H2   ACE   1           H2       ACE   1 -20.854  -9.601  -2.756
  111    H3   ACE   1           H3       ACE   1 -20.205  -8.040  -3.333
  112   H8'1  GPN   2          H8'1      GPN   2 -17.999  -7.363  -1.681
  113   H8'2  GPN   2          H8'2      GPN   2 -18.051  -8.677  -2.847
  114   H5'1  GPN   2          H5'1      GPN   2 -15.543 -10.910   0.034
  115   H5'2  GPN   2          H5'2      GPN   2 -16.973 -11.126   1.022
  116   H3'1  GPN   2          H3'1      GPN   2 -18.275  -7.822   0.330
  117   H3'2  GPN   2          H3'2      GPN   2 -18.337  -9.190   1.428
  118   H2'1  GPN   2          H2'1      GPN   2 -19.875 -10.332   0.230
  119   H2'2  GPN   2          H2'2      GPN   2 -19.243  -9.818  -1.330
  120   H1'3  GPN   2          H1'3      GPN   2 -20.781  -7.970   0.491
  121    H8   GPN   2           H8       GPN   2 -16.392  -8.538  -4.928
  122    HN1  GPN   2           HN1      GPN   2 -14.676  -2.589  -3.122
  123   HN21  GPN   2          HN21      GPN   2 -16.350  -3.471  -0.163
  124   HN22  GPN   2          HN22      GPN   2 -15.411  -2.227  -0.959
  125   H8'1  GPN   3          H8'1      GPN   3 -14.073  -6.512  -0.864
  126   H8'2  GPN   3          H8'2      GPN   3 -13.990  -5.128   0.232
  127   H5'1  GPN   3          H5'1      GPN   3 -11.200  -8.161   2.285
  128   H5'2  GPN   3          H5'2      GPN   3 -12.695  -8.880   2.819
  129   H3'1  GPN   3          H3'1      GPN   3 -14.810  -5.938   1.771
  130   H3'2  GPN   3          H3'2      GPN   3 -13.974  -5.773   3.290
  131   H2'1  GPN   3          H2'1      GPN   3 -15.919  -7.114   3.579
  132   H2'2  GPN   3          H2'2      GPN   3 -14.546  -8.190   3.781
  133   H1'3  GPN   3          H1'3      GPN   3 -16.134  -7.917   1.237
  134    H8   GPN   3           H8       GPN   3 -12.323  -6.441  -2.942
  135    HN1  GPN   3           HN1      GPN   3 -10.547  -0.507  -1.149
  136   HN21  GPN   3          HN21      GPN   3 -12.411  -1.357   1.725
  137   HN22  GPN   3          HN22      GPN   3 -11.380  -0.124   1.005
  138   H8'1  CPN   4          H8'1      CPN   4 -10.628  -4.245   2.500
  139   H8'2  CPN   4          H8'2      CPN   4 -10.189  -2.684   3.180
  140   H5'1  CPN   4          H5'1      CPN   4  -7.621  -5.673   5.563
  141   H5'2  CPN   4          H5'2      CPN   4  -9.065  -6.117   6.420
  142   H3'1  CPN   4          H3'1      CPN   4 -11.186  -3.471   4.853
  143   H3'2  CPN   4          H3'2      CPN   4 -10.639  -3.716   6.498
  144   H2'1  CPN   4          H2'1      CPN   4 -12.562  -5.118   5.982
  145   H2'2  CPN   4          H2'2      CPN   4 -11.162  -6.101   6.386
  146   H1'3  CPN   4          H1'3      CPN   4 -11.840  -5.551   3.519
  147    H5   CPN   4           H5       CPN   4  -8.282  -4.528  -1.507
  148    H6   CPN   4           H6       CPN   4  -9.520  -5.105   0.509
  149   HN41  CPN   4          HN41      CPN   4  -6.923  -2.796  -2.570
  150   HN42  CPN   4          HN42      CPN   4  -6.529  -1.288  -1.745
  151   H8'1  APN   5          H8'1      APN   5  -6.799  -2.047   4.956
  152   H8'2  APN   5          H8'2      APN   5  -6.174  -0.416   5.185
  153   H5'1  APN   5          H5'1      APN   5  -3.899  -2.728   8.440
  154   H5'2  APN   5          H5'2      APN   5  -5.214  -2.299   9.504
  155   H3'1  APN   5          H3'1      APN   5  -7.202  -0.517   6.987
  156   H3'2  APN   5          H3'2      APN   5  -6.675  -0.382   8.653
  157   H2'1  APN   5          H2'1      APN   5  -8.713  -1.648   8.563
  158   H2'2  APN   5          H2'2      APN   5  -7.399  -2.681   9.117
  159   H1'3  APN   5          H1'3      APN   5  -8.460  -2.714   6.294
  160    H8   APN   5           H8       APN   5  -5.948  -3.304   2.819
  161   HN61  APN   5          HN61      APN   5  -2.925  -1.049  -0.450
  162   HN62  APN   5          HN62      APN   5  -1.844   0.330  -0.219
  163    H21  APN   5           H21      APN   5  -2.186   1.783   3.824
  164   H8'1  TPN   6          H8'1      TPN   6  -1.916  -0.311   7.243
  165   H8'2  TPN   6          H8'2      TPN   6  -1.156   1.260   7.029
  166   H5'1  TPN   6          H5'1      TPN   6   1.471  -1.170  10.015
  167   H5'2  TPN   6          H5'2      TPN   6   0.627  -0.283  11.260
  168   H3'1  TPN   6          H3'1      TPN   6  -1.662   1.478   9.051
  169   H3'2  TPN   6          H3'2      TPN   6  -0.682   1.752  10.474
  170   H2'1  TPN   6          H2'1      TPN   6  -2.800   0.823  11.121
  171   H2'2  TPN   6          H2'2      TPN   6  -1.521  -0.318  11.513
  172   H1'3  TPN   6          H1'3      TPN   6  -2.531  -1.868  10.116
  173    H6   TPN   6           H6       TPN   6  -1.669  -2.041   5.643
  174    HN3  TPN   6           HN3      TPN   6   0.971   0.987   2.983
  175   HM51  TPN   6          HM51      TPN   6  -0.418  -3.685   2.984
  176   HM52  TPN   6          HM52      TPN   6  -1.727  -2.747   2.235
  177   HM53  TPN   6          HM53      TPN   6  -1.982  -3.478   3.828
  178   H8'1  GPN   7          H8'1      GPN   7   2.572   1.084   6.901
  179   H8'2  GPN   7          H8'2      GPN   7   3.353   2.478   6.158
  180   H5'1  GPN   7          H5'1      GPN   7   6.354   1.039   9.368
  181   H5'2  GPN   7          H5'2      GPN   7   5.623   2.246  10.376
  182   H3'1  GPN   7          H3'1      GPN   7   3.344   3.586   7.804
  183   H3'2  GPN   7          H3'2      GPN   7   4.576   4.232   8.862
  184   H2'1  GPN   7          H2'1      GPN   7   2.475   4.029  10.028
  185   H2'2  GPN   7          H2'2      GPN   7   3.677   2.989  10.768
  186   H1'3  GPN   7          H1'3      GPN   7   1.312   2.129   9.158
  187    H8   GPN   7           H8       GPN   7   2.666  -1.191   5.452
  188    HN1  GPN   7           HN1      GPN   7   6.553   1.653   1.155
  189   HN21  GPN   7          HN21      GPN   7   6.301   4.328   3.432
  190   HN22  GPN   7          HN22      GPN   7   7.066   3.790   1.939
  191   H8'1  CPN   8          H8'1      CPN   8   7.524   1.926   6.063
  192   H8'2  CPN   8          H8'2      CPN   8   8.220   2.920   4.788
  193   H5'1  CPN   8          H5'1      CPN   8  11.295   2.667   8.251
  194   H5'2  CPN   8          H5'2      CPN   8  10.948   4.370   8.414
  195   H3'1  CPN   8          H3'1      CPN   8   8.525   4.619   5.755
  196   H3'2  CPN   8          H3'2      CPN   8   9.795   5.495   6.570
  197   H2'1  CPN   8          H2'1      CPN   8   7.686   5.831   7.697
  198   H2'2  CPN   8          H2'2      CPN   8   8.829   5.020   8.754
  199   H1'3  CPN   8          H1'3      CPN   8   6.424   3.772   7.459
  200    H5   CPN   8           H5       CPN   8   7.271  -2.210   4.037
  201    H6   CPN   8           H6       CPN   8   7.104  -0.334   5.588
  202   HN41  CPN   8          HN41      CPN   8   8.341  -2.978   1.965
  203   HN42  CPN   8          HN42      CPN   8   9.471  -1.948   1.077
  204   H8'1  CPN   9          H8'1      CPN   9  12.331   0.791   4.765
  205   H8'2  CPN   9          H8'2      CPN   9  12.613   1.915   3.473
  206   H5'1  CPN   9          H5'1      CPN   9  16.046   2.740   6.419
  207   H5'2  CPN   9          H5'2      CPN   9  16.246   4.167   5.422
  208   H3'1  CPN   9          H3'1      CPN   9  13.598   3.542   3.154
  209   H3'2  CPN   9          H3'2      CPN   9  15.066   4.421   3.458
  210   H2'1  CPN   9          H2'1      CPN   9  13.135   5.657   4.273
  211   H2'2  CPN   9          H2'2      CPN   9  14.251   5.270   5.570
  212   H1'3  CPN   9          H1'3      CPN   9  11.515   4.158   5.181
  213    H5   CPN   9           H5       CPN   9  12.328  -3.201   2.571
  214    H6   CPN   9           H6       CPN   9  12.021  -1.380   4.157
  215   HN41  CPN   9          HN41      CPN   9  13.393  -3.838   0.489
  216   HN42  CPN   9          HN42      CPN   9  14.420  -2.736  -0.424
  217    HN2  NME  10           HN2      NME  10 -17.072   0.771  -0.587
  218    H1   NME  10           H1       NME  10 -18.665  -0.794  -1.212
  219    H2   NME  10           H2       NME  10 -19.883   0.489  -1.069
  220    H3   NME  10           H3       NME  10 -19.434  -0.468   0.357
  221    HN2  NME  10           HN2      NME  10  16.409   1.915   3.088
  222    H1   NME  10           H1       NME  10  18.794   0.442   3.445
  223    H2   NME  10           H2       NME  10  19.250   2.006   2.738
  224    H3   NME  10           H3       NME  10  18.122   0.936   1.877
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1  20.542   6.473  -8.385
    2    H2   ACE   1           H2       ACE   1  19.125   6.368  -7.314
    3    H3   ACE   1           H3       ACE   1  19.322   5.211  -8.651
    4   H8'1  GPN   2          H8'1      GPN   2  18.421  -0.352  -6.436
    5   H8'2  GPN   2          H8'2      GPN   2  18.242   0.961  -5.279
    6   H5'1  GPN   2          H5'1      GPN   2  15.319   1.605  -8.832
    7   H5'2  GPN   2          H5'2      GPN   2  16.653   2.467  -9.556
    8   H3'1  GPN   2          H3'1      GPN   2  19.094   1.594  -7.454
    9   H3'2  GPN   2          H3'2      GPN   2  18.563   2.841  -8.573
   10   H2'1  GPN   2          H2'1      GPN   2  17.942   4.340  -6.775
   11   H2'2  GPN   2          H2'2      GPN   2  18.189   3.082  -5.561
   12   H1'3  GPN   2          H1'3      GPN   2  20.533   3.263  -5.776
   13    H8   GPN   2           H8       GPN   2  17.291  -2.657  -5.862
   14    HN1  GPN   2           HN1      GPN   2  14.970  -0.293  -0.330
   15   HN21  GPN   2          HN21      GPN   2  16.060   2.766  -1.664
   16   HN22  GPN   2          HN22      GPN   2  15.202   2.001  -0.344
   17   H8'1  GPN   3          H8'1      GPN   3  14.463   2.217  -4.822
   18   H8'2  GPN   3          H8'2      GPN   3  14.051   3.263  -3.458
   19   H5'1  GPN   3          H5'1      GPN   3  11.010   4.571  -6.643
   20   H5'2  GPN   3          H5'2      GPN   3  12.252   5.631  -7.236
   21   H3'1  GPN   3          H3'1      GPN   3  14.674   4.863  -4.502
   22   H3'2  GPN   3          H3'2      GPN   3  13.826   6.318  -4.972
   23   H2'1  GPN   3          H2'1      GPN   3  15.777   6.000  -6.346
   24   H2'2  GPN   3          H2'2      GPN   3  14.331   5.904  -7.338
   25   H1'3  GPN   3          H1'3      GPN   3  15.756   3.440  -6.355
   26    H8   GPN   3           H8       GPN   3  13.287  -0.228  -4.832
   27    HN1  GPN   3           HN1      GPN   3  10.724   1.004   0.957
   28   HN21  GPN   3          HN21      GPN   3  12.023   4.214   0.296
   29   HN22  GPN   3          HN22      GPN   3  11.057   3.270   1.428
   30   H8'1  CPN   4          H8'1      CPN   4   9.640   4.931  -1.081
   31   H8'2  CPN   4          H8'2      CPN   4  10.313   4.487  -2.644
   32   H5'1  CPN   4          H5'1      CPN   4   7.008   7.052  -4.235
   33   H5'2  CPN   4          H5'2      CPN   4   8.240   8.274  -4.319
   34   H3'1  CPN   4          H3'1      CPN   4  10.390   6.799  -1.690
   35   H3'2  CPN   4          H3'2      CPN   4   9.579   8.337  -1.886
   36   H2'1  CPN   4          H2'1      CPN   4  11.684   8.282  -3.096
   37   H2'2  CPN   4          H2'2      CPN   4  10.336   8.522  -4.191
   38   H1'3  CPN   4          H1'3      CPN   4  11.847   5.943  -3.842
   39    H5   CPN   4           H5       CPN   4   8.838   0.154  -3.418
   40    H6   CPN   4           H6       CPN   4   9.659   2.423  -3.743
   41   HN41  CPN   4          HN41      CPN   4   7.617  -1.307  -1.899
   42   HN42  CPN   4          HN42      CPN   4   6.955  -0.725  -0.373
   43   H8'1  APN   5          H8'1      APN   5   5.839   5.930  -0.397
   44   H8'2  APN   5          H8'2      APN   5   4.759   5.977   0.994
   45   H5'1  APN   5          H5'1      APN   5   2.849   8.706  -2.227
   46   H5'2  APN   5          H5'2      APN   5   3.807   9.985  -1.541
   47   H3'1  APN   5          H3'1      APN   5   5.447   7.947   1.021
   48   H3'2  APN   5          H3'2      APN   5   4.601   9.475   0.952
   49   H2'1  APN   5          H2'1      APN   5   6.973   9.632   0.295
   50   H2'2  APN   5          H2'2      APN   5   5.869  10.222  -0.932
   51   H1'3  APN   5          H1'3      APN   5   7.396   7.634  -1.054
   52    H8   APN   5           H8       APN   5   5.674   3.770  -1.955
   53   HN61  APN   5          HN61      APN   5   3.050  -0.198  -0.445
   54   HN62  APN   5          HN62      APN   5   1.757  -0.305   0.758
   55    H21  APN   5           H21      APN   5   1.076   3.571   2.511
   56   H8'1  TPN   6          H8'1      TPN   6   0.801   6.824   0.878
   57   H8'2  TPN   6          H8'2      TPN   6  -0.286   6.403   2.191
   58   H5'1  TPN   6          H5'1      TPN   6  -2.237   9.721  -0.455
   59   H5'2  TPN   6          H5'2      TPN   6  -1.700  10.819   0.798
   60   H3'1  TPN   6          H3'1      TPN   6   0.165   8.383   2.725
   61   H3'2  TPN   6          H3'2      TPN   6  -0.842   9.801   2.914
   62   H2'1  TPN   6          H2'1      TPN   6   1.414  10.491   2.549
   63   H2'2  TPN   6          H2'2      TPN   6   0.442  10.988   1.176
   64   H1'3  TPN   6          H1'3      TPN   6   2.533   8.850   1.219
   65    H6   TPN   6           H6       TPN   6   0.811   5.598  -1.195
   66    HN3  TPN   6           HN3      TPN   6  -1.710   2.232   1.167
   67   HM51  TPN   6          HM51      TPN   6   1.552   2.356  -2.166
   68   HM52  TPN   6          HM52      TPN   6   1.598   4.032  -2.734
   69   HM53  TPN   6          HM53      TPN   6   0.258   2.954  -3.230
   70   H8'1  GPN   7          H8'1      GPN   7  -3.779   6.020   1.345
   71   H8'2  GPN   7          H8'2      GPN   7  -4.800   5.121   2.467
   72   H5'1  GPN   7          H5'1      GPN   7  -7.725   8.141   0.576
   73   H5'2  GPN   7          H5'2      GPN   7  -7.324   9.191   1.899
   74   H3'1  GPN   7          H3'1      GPN   7  -4.935   6.869   3.515
   75   H3'2  GPN   7          H3'2      GPN   7  -6.396   7.697   4.008
   76   H2'1  GPN   7          H2'1      GPN   7  -4.586   9.206   4.214
   77   H2'2  GPN   7          H2'2      GPN   7  -5.595   9.778   2.901
   78   H1'3  GPN   7          H1'3      GPN   7  -2.938   8.404   2.607
   79    H8   GPN   7           H8       GPN   7  -3.453   4.905  -1.127
   80    HN1  GPN   7           HN1      GPN   7  -6.793  -0.271   0.782
   81   HN21  GPN   7          HN21      GPN   7  -7.329   1.701   3.643
   82   HN22  GPN   7          HN22      GPN   7  -7.731   0.177   2.859
   83   H8'1  CPN   8          H8'1      CPN   8  -8.562   4.316   1.531
   84   H8'2  CPN   8          H8'2      CPN   8  -9.405   2.932   2.222
   85   H5'1  CPN   8          H5'1      CPN   8 -12.650   6.147   1.492
   86   H5'2  CPN   8          H5'2      CPN   8 -12.383   6.609   3.148
   87   H3'1  CPN   8          H3'1      CPN   8  -9.734   4.173   3.833
   88   H3'2  CPN   8          H3'2      CPN   8 -11.220   4.726   4.575
   89   H2'1  CPN   8          H2'1      CPN   8  -9.409   6.199   5.151
   90   H2'2  CPN   8          H2'2      CPN   8 -10.599   7.068   4.198
   91   H1'3  CPN   8          H1'3      CPN   8  -7.887   6.183   3.279
   92    H5   CPN   8           H5       CPN   8  -7.540   2.987  -2.783
   93    H6   CPN   8           H6       CPN   8  -7.907   4.307  -0.769
   94   HN41  CPN   8          HN41      CPN   8  -8.078   0.874  -3.888
   95   HN42  CPN   8          HN42      CPN   8  -9.132  -0.325  -3.135
   96   H8'1  CPN   9          H8'1      CPN   9 -13.009   2.490   0.743
   97   H8'2  CPN   9          H8'2      CPN   9 -13.579   0.852   1.015
   98   H5'1  CPN   9          H5'1      CPN   9 -17.298   3.603   1.483
   99   H5'2  CPN   9          H5'2      CPN   9 -17.291   2.955   3.109
  100   H3'1  CPN   9          H3'1      CPN   9 -14.227   1.097   2.861
  101   H3'2  CPN   9          H3'2      CPN   9 -15.797   1.142   3.630
  102   H2'1  CPN   9          H2'1      CPN   9 -14.213   2.417   4.920
  103   H2'2  CPN   9          H2'2      CPN   9 -15.453   3.489   4.282
  104   H1'3  CPN   9          H1'3      CPN   9 -12.597   3.345   3.425
  105    H5   CPN   9           H5       CPN   9 -11.783   2.375  -3.714
  106    H6   CPN   9           H6       CPN   9 -12.317   3.114  -1.457
  107   HN41  CPN   9          HN41      CPN   9 -12.079   0.546  -5.323
  108   HN42  CPN   9          HN42      CPN   9 -13.020  -0.894  -4.920
  109    H1   ACE   1           H1       ACE   1 -18.950 -13.726  -5.525
  110    H2   ACE   1           H2       ACE   1 -17.406 -13.461  -4.682
  111    H3   ACE   1           H3       ACE   1 -18.920 -13.555  -3.755
  112   H8'1  GPN   2          H8'1      GPN   2 -16.900  -7.526  -2.839
  113   H8'2  GPN   2          H8'2      GPN   2 -16.683  -8.536  -4.268
  114   H5'1  GPN   2          H5'1      GPN   2 -13.645 -10.692  -1.817
  115   H5'2  GPN   2          H5'2      GPN   2 -14.967 -11.705  -1.293
  116   H3'1  GPN   2          H3'1      GPN   2 -17.642  -9.318  -1.954
  117   H3'2  GPN   2          H3'2      GPN   2 -17.102 -10.474  -0.752
  118   H2'1  GPN   2          H2'1      GPN   2 -18.021 -11.995  -2.089
  119   H2'2  GPN   2          H2'2      GPN   2 -16.490 -11.910  -2.970
  120   H1'3  GPN   2          H1'3      GPN   2 -18.298  -9.924  -4.011
  121    H8   GPN   2           H8       GPN   2 -14.945  -7.672  -6.140
  122    HN1  GPN   2           HN1      GPN   2 -14.381  -2.049  -3.028
  123   HN21  GPN   2          HN21      GPN   2 -16.168  -3.745  -0.523
  124   HN22  GPN   2          HN22      GPN   2 -15.344  -2.260  -0.938
  125   H8'1  GPN   3          H8'1      GPN   3 -14.011  -6.856  -0.612
  126   H8'2  GPN   3          H8'2      GPN   3 -13.923  -5.531   0.551
  127   H5'1  GPN   3          H5'1      GPN   3 -11.027  -8.674   2.279
  128   H5'2  GPN   3          H5'2      GPN   3 -12.420  -9.364   3.055
  129   H3'1  GPN   3          H3'1      GPN   3 -14.806  -6.780   1.883
  130   H3'2  GPN   3          H3'2      GPN   3 -14.281  -7.353   3.448
  131   H2'1  GPN   3          H2'1      GPN   3 -16.000  -8.785   2.513
  132   H2'2  GPN   3          H2'2      GPN   3 -14.506  -9.676   2.750
  133   H1'3  GPN   3          H1'3      GPN   3 -15.667  -8.811   0.129
  134    H8   GPN   3           H8       GPN   3 -12.325  -6.677  -2.744
  135    HN1  GPN   3           HN1      GPN   3 -10.646  -0.741  -0.886
  136   HN21  GPN   3          HN21      GPN   3 -12.413  -1.661   2.016
  137   HN22  GPN   3          HN22      GPN   3 -11.399  -0.416   1.293
  138   H8'1  CPN   4          H8'1      CPN   4 -10.626  -4.503   2.550
  139   H8'2  CPN   4          H8'2      CPN   4 -10.211  -2.939   3.237
  140   H5'1  CPN   4          H5'1      CPN   4  -7.777  -6.007   5.676
  141   H5'2  CPN   4          H5'2      CPN   4  -9.241  -6.381   6.532
  142   H3'1  CPN   4          H3'1      CPN   4 -11.291  -3.785   4.829
  143   H3'2  CPN   4          H3'2      CPN   4 -10.802  -4.016   6.494
  144   H2'1  CPN   4          H2'1      CPN   4 -12.714  -5.401   5.938
  145   H2'2  CPN   4          H2'2      CPN   4 -11.343  -6.391   6.392
  146   H1'3  CPN   4          H1'3      CPN   4 -12.341  -5.989   3.581
  147    H5   CPN   4           H5       CPN   4  -8.274  -4.748  -1.433
  148    H6   CPN   4           H6       CPN   4  -9.477  -5.353   0.594
  149   HN41  CPN   4          HN41      CPN   4  -6.962  -2.997  -2.504
  150   HN42  CPN   4          HN42      CPN   4  -6.570  -1.488  -1.682
  151   H8'1  APN   5          H8'1      APN   5  -6.776  -2.354   4.994
  152   H8'2  APN   5          H8'2      APN   5  -6.237  -0.686   5.165
  153   H5'1  APN   5          H5'1      APN   5  -3.883  -2.789   8.514
  154   H5'2  APN   5          H5'2      APN   5  -5.209  -2.348   9.560
  155   H3'1  APN   5          H3'1      APN   5  -7.277  -0.788   6.969
  156   H3'2  APN   5          H3'2      APN   5  -6.769  -0.584   8.634
  157   H2'1  APN   5          H2'1      APN   5  -8.709  -1.955   8.633
  158   H2'2  APN   5          H2'2      APN   5  -7.339  -2.947   9.116
  159   H1'3  APN   5          H1'3      APN   5  -8.432  -2.992   6.306
  160    H8   APN   5           H8       APN   5  -5.888  -3.618   2.878
  161   HN61  APN   5          HN61      APN   5  -2.933  -1.354  -0.433
  162   HN62  APN   5          HN62      APN   5  -1.895   0.063  -0.240
  163    H21  APN   5           H21      APN   5  -2.292   1.609   3.767
  164   H8'1  TPN   6          H8'1      TPN   6  -1.941  -0.412   7.202
  165   H8'2  TPN   6          H8'2      TPN   6  -1.287   1.195   6.919
  166   H5'1  TPN   6          H5'1      TPN   6   1.543  -0.867   9.984
  167   H5'2  TPN   6          H5'2      TPN   6   0.641   0.020  11.190
  168   H3'1  TPN   6          H3'1      TPN   6  -1.773   1.514   8.917
  169   H3'2  TPN   6          H3'2      TPN   6  -0.811   1.895  10.327
  170   H2'1  TPN   6          H2'1      TPN   6  -2.858   0.888  11.038
  171   H2'2  TPN   6          H2'2      TPN   6  -1.529  -0.195  11.432
  172   H1'3  TPN   6          H1'3      TPN   6  -2.505  -1.815  10.093
  173    H6   TPN   6           H6       TPN   6  -1.635  -2.160   5.647
  174    HN3  TPN   6           HN3      TPN   6   0.886   0.891   2.898
  175   HM51  TPN   6          HM51      TPN   6  -1.681  -2.946   2.257
  176   HM52  TPN   6          HM52      TPN   6  -1.914  -3.645   3.867
  177   HM53  TPN   6          HM53      TPN   6  -0.344  -3.826   3.026
  178   H8'1  GPN   7          H8'1      GPN   7   2.505   1.146   6.753
  179   H8'2  GPN   7          H8'2      GPN   7   2.994   2.567   5.828
  180   H5'1  GPN   7          H5'1      GPN   7   6.446   2.275   8.836
  181   H5'2  GPN   7          H5'2      GPN   7   5.602   3.517   9.719
  182   H3'1  GPN   7          H3'1      GPN   7   2.762   3.793   7.392
  183   H3'2  GPN   7          H3'2      GPN   7   3.888   4.811   8.260
  184   H2'1  GPN   7          H2'1      GPN   7   2.110   4.370   9.729
  185   H2'2  GPN   7          H2'2      GPN   7   3.491   3.461  10.330
  186   H1'3  GPN   7          H1'3      GPN   7   1.099   2.328   8.916
  187    H8   GPN   7           H8       GPN   7   2.655  -1.113   5.371
  188    HN1  GPN   7           HN1      GPN   7   6.591   1.606   1.039
  189   HN21  GPN   7          HN21      GPN   7   6.253   4.377   3.182
  190   HN22  GPN   7          HN22      GPN   7   7.046   3.785   1.726
  191   H8'1  CPN   8          H8'1      CPN   8   7.942   2.827   5.946
  192   H8'2  CPN   8          H8'2      CPN   8   8.714   3.720   4.638
  193   H5'1  CPN   8          H5'1      CPN   8  12.039   3.271   7.822
  194   H5'2  CPN   8          H5'2      CPN   8  11.620   4.905   8.264
  195   H3'1  CPN   8          H3'1      CPN   8   8.833   5.290   5.966
  196   H3'2  CPN   8          H3'2      CPN   8  10.206   6.181   6.590
  197   H2'1  CPN   8          H2'1      CPN   8   8.340   6.371   8.107
  198   H2'2  CPN   8          H2'2      CPN   8   9.655   5.509   8.894
  199   H1'3  CPN   8          H1'3      CPN   8   8.312   3.597   9.042
  200    H5   CPN   8           H5       CPN   8   7.604  -1.495   4.323
  201    H6   CPN   8           H6       CPN   8   7.546   0.501   5.734
  202   HN41  CPN   8          HN41      CPN   8   8.503  -2.421   2.234
  203   HN42  CPN   8          HN42      CPN   8   9.540  -1.463   1.173
  204   H8'1  CPN   9          H8'1      CPN   9  12.771   2.180   4.811
  205   H8'2  CPN   9          H8'2      CPN   9  12.802   2.951   3.247
  206   H5'1  CPN   9          H5'1      CPN   9  16.738   4.053   5.380
  207   H5'2  CPN   9          H5'2      CPN   9  16.494   5.559   4.520
  208   H3'1  CPN   9          H3'1      CPN   9  13.554   4.661   2.736
  209   H3'2  CPN   9          H3'2      CPN   9  14.946   5.701   2.800
  210   H2'1  CPN   9          H2'1      CPN   9  13.126   6.760   3.959
  211   H2'2  CPN   9          H2'2      CPN   9  14.420   6.394   5.091
  212   H1'3  CPN   9          H1'3      CPN   9  11.718   5.158   4.993
  213    H5   CPN   9           H5       CPN   9  12.106  -2.158   3.533
  214    H6   CPN   9           H6       CPN   9  12.098  -0.005   4.673
  215   HN41  CPN   9          HN41      CPN   9  12.968  -3.364   1.592
  216   HN42  CPN   9          HN42      CPN   9  13.988  -2.573   0.386
  217    HN2  NME  10           HN2      NME  10 -19.619   2.986   1.852
  218    H1   NME  10           H1       NME  10 -20.373   0.740   0.256
  219    H2   NME  10           H2       NME  10 -21.464   1.728   1.250
  220    H3   NME  10           H3       NME  10 -20.624   0.337   1.968
  221    HN2  NME  10           HN2      NME  10  16.325   3.132   2.192
  222    H1   NME  10           H1       NME  10  17.880   2.122   0.759
  223    H2   NME  10           H2       NME  10  19.210   2.746   1.746
  224    H3   NME  10           H3       NME  10  18.404   3.812   0.578
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1  21.569   3.630  -3.044
    2    H2   ACE   1           H2       ACE   1  20.990   5.193  -3.661
    3    H3   ACE   1           H3       ACE   1  22.668   5.028  -3.097
    4   H8'1  GPN   2          H8'1      GPN   2  18.547   0.056  -5.701
    5   H8'2  GPN   2          H8'2      GPN   2  18.443   1.024  -4.234
    6   H5'1  GPN   2          H5'1      GPN   2  16.180   3.273  -7.665
    7   H5'2  GPN   2          H5'2      GPN   2  17.731   3.676  -8.356
    8   H3'1  GPN   2          H3'1      GPN   2  19.664   1.496  -6.721
    9   H3'2  GPN   2          H3'2      GPN   2  19.602   3.009  -7.607
   10   H2'1  GPN   2          H2'1      GPN   2  19.880   2.652  -4.610
   11   H2'2  GPN   2          H2'2      GPN   2  19.442   4.206  -5.353
   12   H1'3  GPN   2          H1'3      GPN   2  21.725   3.281  -6.732
   13    H8   GPN   2           H8       GPN   2  16.818  -1.897  -6.071
   14    HN1  GPN   2           HN1      GPN   2  14.556  -1.046  -0.091
   15   HN21  GPN   2          HN21      GPN   2  16.291   2.002  -0.340
   16   HN22  GPN   2          HN22      GPN   2  15.236   1.038   0.668
   17   H8'1  GPN   3          H8'1      GPN   3  15.078   3.326  -3.846
   18   H8'2  GPN   3          H8'2      GPN   3  14.476   4.033  -2.350
   19   H5'1  GPN   3          H5'1      GPN   3  12.152   6.212  -5.702
   20   H5'2  GPN   3          H5'2      GPN   3  13.493   7.319  -5.770
   21   H3'1  GPN   3          H3'1      GPN   3  15.462   5.699  -3.109
   22   H3'2  GPN   3          H3'2      GPN   3  14.880   7.308  -3.478
   23   H2'1  GPN   3          H2'1      GPN   3  16.954   6.792  -4.659
   24   H2'2  GPN   3          H2'2      GPN   3  15.644   7.144  -5.777
   25   H1'3  GPN   3          H1'3      GPN   3  15.713   4.321  -5.484
   26    H8   GPN   3           H8       GPN   3  13.636   1.136  -4.778
   27    HN1  GPN   3           HN1      GPN   3  10.950   0.687   1.062
   28   HN21  GPN   3          HN21      GPN   3  12.408   3.873   1.441
   29   HN22  GPN   3          HN22      GPN   3  11.386   2.670   2.218
   30   H8'1  CPN   4          H8'1      CPN   4  10.249   5.305  -0.183
   31   H8'2  CPN   4          H8'2      CPN   4  10.928   5.160  -1.799
   32   H5'1  CPN   4          H5'1      CPN   4   7.686   8.158  -2.739
   33   H5'2  CPN   4          H5'2      CPN   4   8.989   9.301  -2.644
   34   H3'1  CPN   4          H3'1      CPN   4  11.081   7.220  -0.363
   35   H3'2  CPN   4          H3'2      CPN   4  10.318   8.786  -0.202
   36   H2'1  CPN   4          H2'1      CPN   4  12.391   9.026  -1.370
   37   H2'2  CPN   4          H2'2      CPN   4  11.075   9.433  -2.453
   38   H1'3  CPN   4          H1'3      CPN   4  12.581   6.820  -2.520
   39    H5   CPN   4           H5       CPN   4   9.233   1.173  -3.474
   40    H6   CPN   4           H6       CPN   4  10.196   3.402  -3.304
   41   HN41  CPN   4          HN41      CPN   4   7.893  -0.493  -2.309
   42   HN42  CPN   4          HN42      CPN   4   7.215  -0.198  -0.709
   43   H8'1  APN   5          H8'1      APN   5   6.509   6.374   0.533
   44   H8'2  APN   5          H8'2      APN   5   5.628   6.055   2.025
   45   H5'1  APN   5          H5'1      APN   5   3.326   9.648   0.299
   46   H5'2  APN   5          H5'2      APN   5   4.387  10.637   1.269
   47   H3'1  APN   5          H3'1      APN   5   6.440   7.895   2.559
   48   H3'2  APN   5          H3'2      APN   5   5.691   9.399   3.053
   49   H2'1  APN   5          H2'1      APN   5   7.885   9.830   2.155
   50   H2'2  APN   5          H2'2      APN   5   6.655  10.575   1.142
   51   H1'3  APN   5          H1'3      APN   5   8.123   8.033   0.448
   52    H8   APN   5           H8       APN   5   6.173   4.631  -1.384
   53   HN61  APN   5          HN61      APN   5   3.379   0.563  -0.686
   54   HN62  APN   5          HN62      APN   5   2.081   0.268   0.477
   55    H21  APN   5           H21      APN   5   1.589   3.732   3.003
   56   H8'1  TPN   6          H8'1      TPN   6   1.115   7.546   1.934
   57   H8'2  TPN   6          H8'2      TPN   6   0.122   6.815   3.187
   58   H5'1  TPN   6          H5'1      TPN   6  -2.363  10.173   1.101
   59   H5'2  TPN   6          H5'2      TPN   6  -1.889  11.172   2.454
   60   H3'1  TPN   6          H3'1      TPN   6   0.337   8.748   4.000
   61   H3'2  TPN   6          H3'2      TPN   6  -0.862   9.945   4.437
   62   H2'1  TPN   6          H2'1      TPN   6   1.280  11.000   4.157
   63   H2'2  TPN   6          H2'2      TPN   6   0.167  11.601   2.937
   64   H1'3  TPN   6          H1'3      TPN   6   1.580  10.787   1.288
   65    H6   TPN   6           H6       TPN   6   1.380   6.536  -0.202
   66    HN3  TPN   6           HN3      TPN   6  -1.235   2.823   1.411
   67   HM51  TPN   6          HM51      TPN   6   2.240   5.254  -1.958
   68   HM52  TPN   6          HM52      TPN   6   0.856   4.417  -2.726
   69   HM53  TPN   6          HM53      TPN   6   2.065   3.501  -1.803
   70   H8'1  GPN   7          H8'1      GPN   7  -3.457   6.381   2.259
   71   H8'2  GPN   7          H8'2      GPN   7  -4.433   5.230   3.166
   72   H5'1  GPN   7          H5'1      GPN   7  -7.396   8.534   1.868
   73   H5'2  GPN   7          H5'2      GPN   7  -7.036   9.268   3.399
   74   H3'1  GPN   7          H3'1      GPN   7  -4.799   6.578   4.595
   75   H3'2  GPN   7          H3'2      GPN   7  -6.273   7.310   5.180
   76   H2'1  GPN   7          H2'1      GPN   7  -4.353   8.645   5.773
   77   H2'2  GPN   7          H2'2      GPN   7  -5.417   9.552   4.716
   78   H1'3  GPN   7          H1'3      GPN   7  -2.724   8.455   4.039
   79    H8   GPN   7           H8       GPN   7  -2.924   5.692  -0.311
   80    HN1  GPN   7           HN1      GPN   7  -6.500   0.362   0.364
   81   HN21  GPN   7          HN21      GPN   7  -7.170   1.788   3.512
   82   HN22  GPN   7          HN22      GPN   7  -7.541   0.437   2.447
   83   H8'1  CPN   8          H8'1      CPN   8  -8.174   4.783   1.754
   84   H8'2  CPN   8          H8'2      CPN   8  -9.137   3.371   2.168
   85   H5'1  CPN   8          H5'1      CPN   8 -11.875   7.169   2.319
   86   H5'2  CPN   8          H5'2      CPN   8 -12.525   6.273   3.679
   87   H3'1  CPN   8          H3'1      CPN   8  -9.815   4.025   3.896
   88   H3'2  CPN   8          H3'2      CPN   8 -11.363   4.529   4.528
   89   H2'1  CPN   8          H2'1      CPN   8  -9.504   5.617   5.688
   90   H2'2  CPN   8          H2'2      CPN   8 -10.560   6.785   4.906
   91   H1'3  CPN   8          H1'3      CPN   8  -7.808   6.010   3.978
   92    H5   CPN   8           H5       CPN   8  -6.941   3.976  -2.636
   93    H6   CPN   8           H6       CPN   8  -7.329   5.021  -0.462
   94   HN41  CPN   8          HN41      CPN   8  -7.598   2.096  -4.078
   95   HN42  CPN   8          HN42      CPN   8  -8.799   0.910  -3.553
   96   H8'1  CPN   9          H8'1      CPN   9 -13.726   1.479  -1.396
   97   H8'2  CPN   9          H8'2      CPN   9 -14.086   0.112  -0.346
   98   H5'1  CPN   9          H5'1      CPN   9 -17.945   2.707  -0.313
   99   H5'2  CPN   9          H5'2      CPN   9 -17.333   3.261   1.232
  100   H3'1  CPN   9          H3'1      CPN   9 -14.104   1.760   1.051
  101   H3'2  CPN   9          H3'2      CPN   9 -15.317   2.557   2.050
  102   H2'1  CPN   9          H2'1      CPN   9 -15.309   4.497   0.484
  103   H2'2  CPN   9          H2'2      CPN   9 -14.018   3.727  -0.446
  104   H1'3  CPN   9          H1'3      CPN   9 -12.718   3.791   1.822
  105    H5   CPN   9           H5       CPN   9 -13.286  -0.484  -5.544
  106    H6   CPN   9           H6       CPN   9 -13.305   1.069  -3.663
  107   HN41  CPN   9          HN41      CPN   9 -13.996  -2.714  -6.283
  108   HN42  CPN   9          HN42      CPN   9 -14.853  -3.816  -5.200
  109    H1   ACE   1           H1       ACE   1 -21.514  -2.980   0.087
  110    H2   ACE   1           H2       ACE   1 -20.601  -4.341  -0.602
  111    H3   ACE   1           H3       ACE   1 -20.197  -3.730   1.020
  112   H8'1  GPN   2          H8'1      GPN   2 -19.869  -8.319  -1.078
  113   H8'2  GPN   2          H8'2      GPN   2 -19.414  -9.967  -1.489
  114   H5'1  GPN   2          H5'1      GPN   2 -17.930  -9.755   2.876
  115   H5'2  GPN   2          H5'2      GPN   2 -18.581  -8.202   3.378
  116   H3'1  GPN   2          H3'1      GPN   2 -20.518  -8.326   2.452
  117   H3'2  GPN   2          H3'2      GPN   2 -20.811  -8.654   0.755
  118   H2'1  GPN   2          H2'1      GPN   2 -19.791  -6.448   0.177
  119   H2'2  GPN   2          H2'2      GPN   2 -19.538  -6.134   1.907
  120   H1'3  GPN   2          H1'3      GPN   2 -22.258  -6.728   1.687
  121    H8   GPN   2           H8       GPN   2 -18.097 -10.017  -3.699
  122    HN1  GPN   2           HN1      GPN   2 -15.785  -4.064  -2.792
  123   HN21  GPN   2          HN21      GPN   2 -17.467  -4.380   0.281
  124   HN22  GPN   2          HN22      GPN   2 -16.479  -3.320  -0.705
  125   H8'1  GPN   3          H8'1      GPN   3 -13.701  -5.890  -1.941
  126   H8'2  GPN   3          H8'2      GPN   3 -13.752  -4.735  -0.608
  127   H5'1  GPN   3          H5'1      GPN   3 -11.001  -8.388   0.450
  128   H5'2  GPN   3          H5'2      GPN   3 -12.429  -9.159   1.092
  129   H3'1  GPN   3          H3'1      GPN   3 -14.338  -8.583   0.467
  130   H3'2  GPN   3          H3'2      GPN   3 -14.634  -7.294  -0.683
  131   H2'1  GPN   3          H2'1      GPN   3 -14.945  -5.676   1.105
  132   H2'2  GPN   3          H2'2      GPN   3 -14.325  -6.818   2.309
  133   H1'3  GPN   3          H1'3      GPN   3 -16.936  -7.099   0.844
  134    H8   GPN   3           H8       GPN   3 -12.099  -5.423  -3.966
  135    HN1  GPN   3           HN1      GPN   3 -10.388   0.235  -1.396
  136   HN21  GPN   3          HN21      GPN   3 -12.099  -1.048   1.405
  137   HN22  GPN   3          HN22      GPN   3 -11.177   0.318   0.795
  138   H8'1  CPN   4          H8'1      CPN   4 -10.269  -4.174   1.283
  139   H8'2  CPN   4          H8'2      CPN   4  -9.896  -2.750   2.242
  140   H5'1  CPN   4          H5'1      CPN   4  -7.378  -6.135   4.106
  141   H5'2  CPN   4          H5'2      CPN   4  -8.813  -6.662   4.925
  142   H3'1  CPN   4          H3'1      CPN   4 -10.972  -3.921   3.626
  143   H3'2  CPN   4          H3'2      CPN   4 -10.452  -4.356   5.240
  144   H2'1  CPN   4          H2'1      CPN   4 -12.305  -5.728   4.573
  145   H2'2  CPN   4          H2'2      CPN   4 -10.886  -6.731   4.790
  146   H1'3  CPN   4          H1'3      CPN   4 -11.814  -5.841   2.063
  147    H5   CPN   4           H5       CPN   4  -7.824  -3.665  -2.639
  148    H6   CPN   4           H6       CPN   4  -9.032  -4.649  -0.775
  149   HN41  CPN   4          HN41      CPN   4  -6.542  -1.725  -3.356
  150   HN42  CPN   4          HN42      CPN   4  -6.214  -0.370  -2.277
  151   H8'1  APN   5          H8'1      APN   5  -6.499  -2.255   4.149
  152   H8'2  APN   5          H8'2      APN   5  -5.852  -0.709   4.696
  153   H5'1  APN   5          H5'1      APN   5  -3.708  -3.694   7.468
  154   H5'2  APN   5          H5'2      APN   5  -5.025  -3.423   8.581
  155   H3'1  APN   5          H3'1      APN   5  -6.939  -1.182   6.400
  156   H3'2  APN   5          H3'2      APN   5  -6.452  -1.374   8.071
  157   H2'1  APN   5          H2'1      APN   5  -8.505  -2.567   7.670
  158   H2'2  APN   5          H2'2      APN   5  -7.221  -3.689   8.094
  159   H1'3  APN   5          H1'3      APN   5  -8.236  -3.267   5.282
  160    H8   APN   5           H8       APN   5  -5.623  -3.104   1.832
  161   HN61  APN   5          HN61      APN   5  -2.554  -0.295  -0.922
  162   HN62  APN   5          HN62      APN   5  -1.461   1.004  -0.426
  163    H21  APN   5           H21      APN   5  -1.836   1.668   3.821
  164   H8'1  TPN   6          H8'1      TPN   6  -1.591  -1.020   6.795
  165   H8'2  TPN   6          H8'2      TPN   6  -0.778   0.535   6.898
  166   H5'1  TPN   6          H5'1      TPN   6   1.724  -2.576   9.319
  167   H5'2  TPN   6          H5'2      TPN   6   0.876  -1.971  10.721
  168   H3'1  TPN   6          H3'1      TPN   6  -1.353   0.273   8.922
  169   H3'2  TPN   6          H3'2      TPN   6  -0.391   0.217  10.382
  170   H2'1  TPN   6          H2'1      TPN   6  -2.523  -0.799  10.795
  171   H2'2  TPN   6          H2'2      TPN   6  -1.268  -2.022  10.930
  172   H1'3  TPN   6          H1'3      TPN   6  -2.287  -3.204   9.215
  173    H6   TPN   6           H6       TPN   6  -1.363  -2.432   4.900
  174    HN3  TPN   6           HN3      TPN   6   1.314   1.011   2.846
  175   HM51  TPN   6          HM51      TPN   6  -0.129  -3.580   1.999
  176   HM52  TPN   6          HM52      TPN   6  -1.405  -2.493   1.413
  177   HM53  TPN   6          HM53      TPN   6  -1.705  -3.489   2.844
  178   H8'1  GPN   7          H8'1      GPN   7   2.898   0.410   6.694
  179   H8'2  GPN   7          H8'2      GPN   7   3.856   1.830   6.275
  180   H5'1  GPN   7          H5'1      GPN   7   6.589  -0.495   9.173
  181   H5'2  GPN   7          H5'2      GPN   7   5.852   0.449  10.429
  182   H3'1  GPN   7          H3'1      GPN   7   3.702   2.456   8.180
  183   H3'2  GPN   7          H3'2      GPN   7   4.955   2.836   9.339
  184   H2'1  GPN   7          H2'1      GPN   7   2.834   2.484  10.439
  185   H2'2  GPN   7          H2'2      GPN   7   3.998   1.284  10.969
  186   H1'3  GPN   7          H1'3      GPN   7   1.624   0.829   9.217
  187    H8   GPN   7           H8       GPN   7   2.969  -1.629   4.894
  188    HN1  GPN   7           HN1      GPN   7   6.925   1.819   1.142
  189   HN21  GPN   7          HN21      GPN   7   6.820   4.032   3.874
  190   HN22  GPN   7          HN22      GPN   7   7.543   3.743   2.296
  191   H8'1  CPN   8          H8'1      CPN   8   7.744   1.227   6.060
  192   H8'2  CPN   8          H8'2      CPN   8   8.688   2.367   5.106
  193   H5'1  CPN   8          H5'1      CPN   8  11.531   1.104   8.528
  194   H5'2  CPN   8          H5'2      CPN   8  11.232   2.719   9.114
  195   H3'1  CPN   8          H3'1      CPN   8   8.887   3.728   6.552
  196   H3'2  CPN   8          H3'2      CPN   8  10.205   4.335   7.530
  197   H2'1  CPN   8          H2'1      CPN   8   8.102   4.508   8.724
  198   H2'2  CPN   8          H2'2      CPN   8   9.204   3.425   9.562
  199   H1'3  CPN   8          H1'3      CPN   8   6.775   2.605   7.998
  200    H5   CPN   8           H5       CPN   8   7.498  -2.491   3.319
  201    H6   CPN   8           H6       CPN   8   7.361  -0.969   5.218
  202   HN41  CPN   8          HN41      CPN   8   8.546  -2.838   1.133
  203   HN42  CPN   8          HN42      CPN   8   9.718  -1.693   0.475
  204   H8'1  CPN   9          H8'1      CPN   9  12.666   0.131   5.665
  205   H8'2  CPN   9          H8'2      CPN   9  12.715   1.338   4.408
  206   H5'1  CPN   9          H5'1      CPN   9  16.697   1.627   6.624
  207   H5'2  CPN   9          H5'2      CPN   9  16.725   3.216   5.885
  208   H3'1  CPN   9          H3'1      CPN   9  13.800   2.901   3.905
  209   H3'2  CPN   9          H3'2      CPN   9  15.288   3.761   4.193
  210   H2'1  CPN   9          H2'1      CPN   9  13.578   4.896   5.398
  211   H2'2  CPN   9          H2'2      CPN   9  14.661   4.144   6.562
  212   H1'3  CPN   9          H1'3      CPN   9  11.835   3.398   5.988
  213    H5   CPN   9           H5       CPN   9  11.555  -3.549   3.215
  214    H6   CPN   9           H6       CPN   9  11.789  -1.838   4.935
  215   HN41  CPN   9          HN41      CPN   9  12.228  -4.187   0.963
  216   HN42  CPN   9          HN42      CPN   9  13.266  -3.163  -0.031
  217    HN2  NME  10           HN2      NME  10 -19.840   2.334   1.154
  218    H1   NME  10           H1       NME  10 -20.344  -0.429   1.557
  219    H2   NME  10           H2       NME  10 -21.336   0.903   2.186
  220    H3   NME  10           H3       NME  10 -19.970   0.286   3.139
  221    HN2  NME  10           HN2      NME  10  16.393   1.118   3.306
  222    H1   NME  10           H1       NME  10  18.994   1.515   2.228
  223    H2   NME  10           H2       NME  10  17.836   0.277   1.695
  224    H3   NME  10           H3       NME  10  18.966  -0.077   3.013
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1  19.016   4.436   2.428
    2    H2   ACE   1           H2       ACE   1  18.873   3.433   0.965
    3    H3   ACE   1           H3       ACE   1  18.407   5.154   0.918
    4   H8'1  GPN   2          H8'1      GPN   2  20.958   1.478  -4.284
    5   H8'2  GPN   2          H8'2      GPN   2  20.379   2.028  -2.716
    6   H5'1  GPN   2          H5'1      GPN   2  19.504   5.530  -5.613
    7   H5'2  GPN   2          H5'2      GPN   2  19.705   6.425  -4.118
    8   H3'1  GPN   2          H3'1      GPN   2  21.482   3.797  -2.783
    9   H3'2  GPN   2          H3'2      GPN   2  21.199   5.519  -2.940
   10   H2'1  GPN   2          H2'1      GPN   2  19.432   3.604  -1.370
   11   H2'2  GPN   2          H2'2      GPN   2  19.161   5.350  -1.552
   12   H1'3  GPN   2          H1'3      GPN   2  21.790   5.079  -0.578
   13    H8   GPN   2           H8       GPN   2  19.894  -0.755  -5.023
   14    HN1  GPN   2           HN1      GPN   2  15.028  -0.088  -0.842
   15   HN21  GPN   2          HN21      GPN   2  16.292   3.167  -0.564
   16   HN22  GPN   2          HN22      GPN   2  15.075   2.036   0.007
   17   H8'1  GPN   3          H8'1      GPN   3  14.483   1.253  -4.821
   18   H8'2  GPN   3          H8'2      GPN   3  14.567   2.099  -3.278
   19   H5'1  GPN   3          H5'1      GPN   3  11.753   4.668  -5.909
   20   H5'2  GPN   3          H5'2      GPN   3  13.141   5.714  -6.058
   21   H3'1  GPN   3          H3'1      GPN   3  15.119   4.855  -5.884
   22   H3'2  GPN   3          H3'2      GPN   3  15.427   3.238  -5.277
   23   H2'1  GPN   3          H2'1      GPN   3  15.189   4.190  -2.918
   24   H2'2  GPN   3          H2'2      GPN   3  15.139   5.796  -3.660
   25   H1'3  GPN   3          H1'3      GPN   3  17.469   3.983  -3.480
   26    H8   GPN   3           H8       GPN   3  13.348  -1.067  -4.752
   27    HN1  GPN   3           HN1      GPN   3  10.290   0.291   0.757
   28   HN21  GPN   3          HN21      GPN   3  11.859   3.409   0.307
   29   HN22  GPN   3          HN22      GPN   3  10.753   2.497   1.329
   30   H8'1  CPN   4          H8'1      CPN   4   9.416   5.149  -1.095
   31   H8'2  CPN   4          H8'2      CPN   4  10.131   4.712  -2.642
   32   H5'1  CPN   4          H5'1      CPN   4   6.750   7.173  -4.291
   33   H5'2  CPN   4          H5'2      CPN   4   7.957   8.419  -4.410
   34   H3'1  CPN   4          H3'1      CPN   4  10.200   7.001  -1.839
   35   H3'2  CPN   4          H3'2      CPN   4   9.392   8.535  -2.084
   36   H2'1  CPN   4          H2'1      CPN   4  11.450   8.411  -3.361
   37   H2'2  CPN   4          H2'2      CPN   4  10.068   8.598  -4.427
   38   H1'3  CPN   4          H1'3      CPN   4  10.535   6.518  -5.387
   39    H5   CPN   4           H5       CPN   4   8.687   0.385  -3.517
   40    H6   CPN   4           H6       CPN   4   9.473   2.682  -3.802
   41   HN41  CPN   4          HN41      CPN   4   7.487  -1.122  -2.010
   42   HN42  CPN   4          HN42      CPN   4   6.824  -0.567  -0.475
   43   H8'1  APN   5          H8'1      APN   5   5.649   6.109  -0.443
   44   H8'2  APN   5          H8'2      APN   5   4.553   6.160   0.936
   45   H5'1  APN   5          H5'1      APN   5   2.645   8.840  -2.323
   46   H5'2  APN   5          H5'2      APN   5   3.627  10.118  -1.680
   47   H3'1  APN   5          H3'1      APN   5   5.214   8.135   0.967
   48   H3'2  APN   5          H3'2      APN   5   4.372   9.663   0.859
   49   H2'1  APN   5          H2'1      APN   5   6.767   9.780   0.236
   50   H2'2  APN   5          H2'2      APN   5   5.677  10.387  -0.997
   51   H1'3  APN   5          H1'3      APN   5   7.215   7.810  -1.120
   52    H8   APN   5           H8       APN   5   5.493   3.941  -1.995
   53   HN61  APN   5          HN61      APN   5   2.932  -0.043  -0.436
   54   HN62  APN   5          HN62      APN   5   1.638  -0.154   0.767
   55    H21  APN   5           H21      APN   5   0.914   3.730   2.482
   56   H8'1  TPN   6          H8'1      TPN   6   0.602   7.032   0.814
   57   H8'2  TPN   6          H8'2      TPN   6  -0.484   6.620   2.133
   58   H5'1  TPN   6          H5'1      TPN   6  -2.456   9.891  -0.565
   59   H5'2  TPN   6          H5'2      TPN   6  -1.960  11.000   0.695
   60   H3'1  TPN   6          H3'1      TPN   6  -0.037   8.623   2.624
   61   H3'2  TPN   6          H3'2      TPN   6  -1.053  10.038   2.788
   62   H2'1  TPN   6          H2'1      TPN   6   1.187  10.746   2.384
   63   H2'2  TPN   6          H2'2      TPN   6   0.206  11.187   0.998
   64   H1'3  TPN   6          H1'3      TPN   6   2.285   9.030   1.100
   65    H6   TPN   6           H6       TPN   6   0.632   5.780  -1.237
   66    HN3  TPN   6           HN3      TPN   6  -1.871   2.419   1.152
   67   HM51  TPN   6          HM51      TPN   6   1.401   2.525  -2.178
   68   HM52  TPN   6          HM52      TPN   6   1.451   4.200  -2.749
   69   HM53  TPN   6          HM53      TPN   6   0.116   3.119  -3.253
   70   H8'1  GPN   7          H8'1      GPN   7  -3.973   6.171   1.201
   71   H8'2  GPN   7          H8'2      GPN   7  -4.955   5.262   2.347
   72   H5'1  GPN   7          H5'1      GPN   7  -7.939   8.226   0.436
   73   H5'2  GPN   7          H5'2      GPN   7  -7.591   9.260   1.787
   74   H3'1  GPN   7          H3'1      GPN   7  -5.150   7.001   3.389
   75   H3'2  GPN   7          H3'2      GPN   7  -6.629   7.802   3.869
   76   H2'1  GPN   7          H2'1      GPN   7  -4.857   9.353   4.078
   77   H2'2  GPN   7          H2'2      GPN   7  -5.859   9.892   2.744
   78   H1'3  GPN   7          H1'3      GPN   7  -3.168   8.576   2.505
   79    H8   GPN   7           H8       GPN   7  -3.640   5.024  -1.253
   80    HN1  GPN   7           HN1      GPN   7  -6.834  -0.199   0.785
   81   HN21  GPN   7          HN21      GPN   7  -7.394   1.825   3.606
   82   HN22  GPN   7          HN22      GPN   7  -7.763   0.274   2.863
   83   H8'1  CPN   8          H8'1      CPN   8  -8.581   4.485   1.164
   84   H8'2  CPN   8          H8'2      CPN   8  -9.334   3.095   1.945
   85   H5'1  CPN   8          H5'1      CPN   8 -12.804   6.073   1.251
   86   H5'2  CPN   8          H5'2      CPN   8 -12.702   6.312   2.973
   87   H3'1  CPN   8          H3'1      CPN   8  -9.883   4.113   3.578
   88   H3'2  CPN   8          H3'2      CPN   8 -11.415   4.601   4.270
   89   H2'1  CPN   8          H2'1      CPN   8  -9.671   6.139   4.923
   90   H2'2  CPN   8          H2'2      CPN   8 -10.869   6.966   3.942
   91   H1'3  CPN   8          H1'3      CPN   8  -8.107   6.181   3.058
   92    H5   CPN   8           H5       CPN   8  -7.548   2.844  -3.039
   93    H6   CPN   8           H6       CPN   8  -7.876   4.280  -1.099
   94   HN41  CPN   8          HN41      CPN   8  -8.135   0.683  -4.028
   95   HN42  CPN   8          HN42      CPN   8  -9.218  -0.447  -3.212
   96   H8'1  CPN   9          H8'1      CPN   9 -13.287   3.407  -0.585
   97   H8'2  CPN   9          H8'2      CPN   9 -13.113   1.954   0.358
   98   H5'1  CPN   9          H5'1      CPN   9 -17.475   3.196   0.878
   99   H5'2  CPN   9          H5'2      CPN   9 -17.383   2.090   2.235
  100   H3'1  CPN   9          H3'1      CPN   9 -14.121   0.824   1.628
  101   H3'2  CPN   9          H3'2      CPN   9 -15.657   0.583   2.418
  102   H2'1  CPN   9          H2'1      CPN   9 -14.232   1.723   3.955
  103   H2'2  CPN   9          H2'2      CPN   9 -15.518   2.819   3.472
  104   H1'3  CPN   9          H1'3      CPN   9 -12.626   3.033   2.797
  105    H5   CPN   9           H5       CPN   9 -11.616   1.952  -4.564
  106    H6   CPN   9           H6       CPN   9 -12.154   3.206  -2.546
  107   HN41  CPN   9          HN41      CPN   9 -11.975  -0.154  -5.734
  108   HN42  CPN   9          HN42      CPN   9 -12.931  -1.460  -5.031
  109    H1   ACE   1           H1       ACE   1 -20.560 -10.604   1.717
  110    H2   ACE   1           H2       ACE   1 -20.689  -9.410   3.028
  111    H3   ACE   1           H3       ACE   1 -19.125 -10.185   2.697
  112   H8'1  GPN   2          H8'1      GPN   2 -17.420  -7.243  -2.038
  113   H8'2  GPN   2          H8'2      GPN   2 -17.393  -8.372  -3.395
  114   H5'1  GPN   2          H5'1      GPN   2 -14.465 -10.890  -1.347
  115   H5'2  GPN   2          H5'2      GPN   2 -15.808 -11.764  -0.646
  116   H3'1  GPN   2          H3'1      GPN   2 -17.612 -11.362  -1.852
  117   H3'2  GPN   2          H3'2      GPN   2 -18.241  -9.773  -2.217
  118   H2'1  GPN   2          H2'1      GPN   2 -17.752 -10.704   0.641
  119   H2'2  GPN   2          H2'2      GPN   2 -19.242 -11.014  -0.248
  120   H1'3  GPN   2          H1'3      GPN   2 -18.758  -8.213  -0.427
  121    H8   GPN   2           H8       GPN   2 -15.719  -7.971  -5.392
  122    HN1  GPN   2           HN1      GPN   2 -14.262  -2.152  -3.025
  123   HN21  GPN   2          HN21      GPN   2 -15.912  -3.372  -0.176
  124   HN22  GPN   2          HN22      GPN   2 -14.993  -2.039  -0.838
  125   H8'1  GPN   3          H8'1      GPN   3 -14.209  -6.666  -0.087
  126   H8'2  GPN   3          H8'2      GPN   3 -13.902  -5.349   1.035
  127   H5'1  GPN   3          H5'1      GPN   3 -11.127  -8.652   2.610
  128   H5'2  GPN   3          H5'2      GPN   3 -12.482  -9.262   3.519
  129   H3'1  GPN   3          H3'1      GPN   3 -14.876  -6.735   2.263
  130   H3'2  GPN   3          H3'2      GPN   3 -14.303  -7.240   3.849
  131   H2'1  GPN   3          H2'1      GPN   3 -16.037  -8.725   3.135
  132   H2'2  GPN   3          H2'2      GPN   3 -14.526  -9.607   3.194
  133   H1'3  GPN   3          H1'3      GPN   3 -15.871  -8.660   0.666
  134    H8   GPN   3           H8       GPN   3 -12.532  -6.765  -2.287
  135    HN1  GPN   3           HN1      GPN   3 -10.669  -0.742  -0.908
  136   HN21  GPN   3          HN21      GPN   3 -12.432  -1.406   2.073
  137   HN22  GPN   3          HN22      GPN   3 -11.449  -0.212   1.237
  138   H8'1  CPN   4          H8'1      CPN   4 -10.625  -4.405   2.708
  139   H8'2  CPN   4          H8'2      CPN   4 -10.176  -2.833   3.369
  140   H5'1  CPN   4          H5'1      CPN   4  -7.693  -5.889   5.773
  141   H5'2  CPN   4          H5'2      CPN   4  -9.134  -6.225   6.684
  142   H3'1  CPN   4          H3'1      CPN   4 -11.201  -3.626   5.011
  143   H3'2  CPN   4          H3'2      CPN   4 -10.654  -3.827   6.661
  144   H2'1  CPN   4          H2'1      CPN   4 -12.617  -5.171   6.192
  145   H2'2  CPN   4          H2'2      CPN   4 -11.265  -6.177   6.646
  146   H1'3  CPN   4          H1'3      CPN   4 -12.348  -5.881   3.849
  147    H5   CPN   4           H5       CPN   4  -8.316  -4.745  -1.302
  148    H6   CPN   4           H6       CPN   4  -9.508  -5.299   0.757
  149   HN41  CPN   4          HN41      CPN   4  -7.014  -3.015  -2.427
  150   HN42  CPN   4          HN42      CPN   4  -6.625  -1.485  -1.643
  151   H8'1  APN   5          H8'1      APN   5  -6.762  -2.164   5.105
  152   H8'2  APN   5          H8'2      APN   5  -6.167  -0.514   5.293
  153   H5'1  APN   5          H5'1      APN   5  -3.830  -2.763   8.558
  154   H5'2  APN   5          H5'2      APN   5  -5.134  -2.319   9.632
  155   H3'1  APN   5          H3'1      APN   5  -7.181  -0.628   7.105
  156   H3'2  APN   5          H3'2      APN   5  -6.644  -0.466   8.766
  157   H2'1  APN   5          H2'1      APN   5  -8.641  -1.779   8.727
  158   H2'2  APN   5          H2'2      APN   5  -7.300  -2.790   9.242
  159   H1'3  APN   5          H1'3      APN   5  -8.432  -2.845   6.445
  160    H8   APN   5           H8       APN   5  -5.899  -3.461   2.992
  161   HN61  APN   5          HN61      APN   5  -3.046  -1.184  -0.399
  162   HN62  APN   5          HN62      APN   5  -2.002   0.230  -0.229
  163    H21  APN   5           H21      APN   5  -2.276   1.765   3.796
  164   H8'1  TPN   6          H8'1      TPN   6  -1.859  -0.212   7.305
  165   H8'2  TPN   6          H8'2      TPN   6  -1.080   1.344   7.070
  166   H5'1  TPN   6          H5'1      TPN   6   1.531  -1.193   9.998
  167   H5'2  TPN   6          H5'2      TPN   6   0.724  -0.313  11.270
  168   H3'1  TPN   6          H3'1      TPN   6  -1.591   1.491   9.120
  169   H3'2  TPN   6          H3'2      TPN   6  -0.594   1.746  10.534
  170   H2'1  TPN   6          H2'1      TPN   6  -2.707   0.799  11.186
  171   H2'2  TPN   6          H2'2      TPN   6  -1.415  -0.335  11.558
  172   H1'3  TPN   6          H1'3      TPN   6  -2.414  -1.881  10.151
  173    H6   TPN   6           H6       TPN   6  -1.624  -1.986   5.738
  174    HN3  TPN   6           HN3      TPN   6   0.885   1.029   2.942
  175   HM51  TPN   6          HM51      TPN   6  -1.963  -3.470   3.963
  176   HM52  TPN   6          HM52      TPN   6  -0.404  -3.677   3.109
  177   HM53  TPN   6          HM53      TPN   6  -1.735  -2.788   2.345
  178   H8'1  GPN   7          H8'1      GPN   7   2.595   1.218   6.812
  179   H8'2  GPN   7          H8'2      GPN   7   3.467   2.578   6.103
  180   H5'1  GPN   7          H5'1      GPN   7   6.399   0.926   9.263
  181   H5'2  GPN   7          H5'2      GPN   7   5.749   2.150  10.311
  182   H3'1  GPN   7          H3'1      GPN   7   3.405   3.569   7.846
  183   H3'2  GPN   7          H3'2      GPN   7   4.689   4.177   8.869
  184   H2'1  GPN   7          H2'1      GPN   7   2.628   3.991  10.106
  185   H2'2  GPN   7          H2'2      GPN   7   3.835   2.912  10.784
  186   H1'3  GPN   7          H1'3      GPN   7   1.394   2.148   9.243
  187    H8   GPN   7           H8       GPN   7   2.721  -1.124   5.411
  188    HN1  GPN   7           HN1      GPN   7   6.376   1.750   0.945
  189   HN21  GPN   7          HN21      GPN   7   6.175   4.446   3.204
  190   HN22  GPN   7          HN22      GPN   7   6.889   3.905   1.690
  191   H8'1  CPN   8          H8'1      CPN   8   7.444   2.007   5.735
  192   H8'2  CPN   8          H8'2      CPN   8   8.229   2.910   4.442
  193   H5'1  CPN   8          H5'1      CPN   8  11.322   2.565   7.882
  194   H5'2  CPN   8          H5'2      CPN   8  10.964   4.256   8.130
  195   H3'1  CPN   8          H3'1      CPN   8   8.371   4.543   5.625
  196   H3'2  CPN   8          H3'2      CPN   8   9.712   5.428   6.321
  197   H2'1  CPN   8          H2'1      CPN   8   7.743   5.753   7.660
  198   H2'2  CPN   8          H2'2      CPN   8   8.942   4.877   8.595
  199   H1'3  CPN   8          H1'3      CPN   8   6.416   3.746   7.442
  200    H5   CPN   8           H5       CPN   8   7.136  -2.277   4.014
  201    H6   CPN   8           H6       CPN   8   7.065  -0.327   5.468
  202   HN41  CPN   8          HN41      CPN   8   8.083  -3.167   1.942
  203   HN42  CPN   8          HN42      CPN   8   9.157  -2.203   0.924
  204   H8'1  CPN   9          H8'1      CPN   9  12.193   0.481   4.634
  205   H8'2  CPN   9          H8'2      CPN   9  12.250   1.739   3.434
  206   H5'1  CPN   9          H5'1      CPN   9  15.975   2.707   5.935
  207   H5'2  CPN   9          H5'2      CPN   9  16.115   4.048   4.812
  208   H3'1  CPN   9          H3'1      CPN   9  13.284   3.287   2.816
  209   H3'2  CPN   9          H3'2      CPN   9  14.786   4.167   2.927
  210   H2'1  CPN   9          H2'1      CPN   9  12.949   5.510   3.778
  211   H2'2  CPN   9          H2'2      CPN   9  14.126   5.183   5.043
  212   H1'3  CPN   9          H1'3      CPN   9  11.357   4.100   4.855
  213    H5   CPN   9           H5       CPN   9  12.232  -3.283   2.067
  214    H6   CPN   9           H6       CPN   9  11.793  -1.580   3.753
  215   HN41  CPN   9          HN41      CPN   9  13.442  -3.746  -0.017
  216   HN42  CPN   9          HN42      CPN   9  14.453  -2.524  -0.791
  217    HN2  NME  10           HN2      NME  10 -16.492   0.299  -0.474
  218    H1   NME  10           H1       NME  10 -18.662  -1.468  -0.522
  219    H2   NME  10           H2       NME  10 -17.583  -1.169  -1.905
  220    H3   NME  10           H3       NME  10 -19.060  -0.209  -1.708
  221    HN2  NME  10           HN2      NME  10  16.029   1.656   2.650
  222    H1   NME  10           H1       NME  10  17.902  -0.169   2.560
  223    H2   NME  10           H2       NME  10  18.989   1.237   2.563
  224    H3   NME  10           H3       NME  10  17.842   1.004   1.229
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  20.890   5.440  -6.074
    2    H2   ACE   1           H2       ACE   1  21.339   6.840  -7.079
    3    H3   ACE   1           H3       ACE   1  21.512   5.192  -7.722
    4   H8'1  GPN   2          H8'1      GPN   2  18.373   0.192  -6.157
    5   H8'2  GPN   2          H8'2      GPN   2  18.201   1.450  -4.936
    6   H5'1  GPN   2          H5'1      GPN   2  15.183   2.097  -8.509
    7   H5'2  GPN   2          H5'2      GPN   2  16.418   3.042  -9.301
    8   H3'1  GPN   2          H3'1      GPN   2  18.907   1.375  -7.721
    9   H3'2  GPN   2          H3'2      GPN   2  18.422   2.498  -8.962
   10   H2'1  GPN   2          H2'1      GPN   2  20.200   3.267  -7.343
   11   H2'2  GPN   2          H2'2      GPN   2  18.955   3.376  -6.094
   12   H1'3  GPN   2          H1'3      GPN   2  17.843   4.881  -8.090
   13    H8   GPN   2           H8       GPN   2  17.076  -2.080  -5.871
   14    HN1  GPN   2           HN1      GPN   2  15.072  -0.269  -0.014
   15   HN21  GPN   2          HN21      GPN   2  16.320   2.856  -1.025
   16   HN22  GPN   2          HN22      GPN   2  15.462   1.994   0.233
   17   H8'1  GPN   3          H8'1      GPN   3  14.731   2.929  -4.316
   18   H8'2  GPN   3          H8'2      GPN   3  14.105   3.828  -2.939
   19   H5'1  GPN   3          H5'1      GPN   3  11.458   5.239  -6.437
   20   H5'2  GPN   3          H5'2      GPN   3  12.675   6.445  -6.734
   21   H3'1  GPN   3          H3'1      GPN   3  14.937   5.390  -4.026
   22   H3'2  GPN   3          H3'2      GPN   3  14.170   6.879  -4.531
   23   H2'1  GPN   3          H2'1      GPN   3  16.208   6.446  -5.785
   24   H2'2  GPN   3          H2'2      GPN   3  14.811   6.515  -6.842
   25   H1'3  GPN   3          H1'3      GPN   3  16.304   4.024  -6.061
   26    H8   GPN   3           H8       GPN   3  13.562   0.462  -4.747
   27    HN1  GPN   3           HN1      GPN   3  10.786   0.897   1.049
   28   HN21  GPN   3          HN21      GPN   3  11.886   4.236   0.787
   29   HN22  GPN   3          HN22      GPN   3  10.942   3.114   1.763
   30   H8'1  CPN   4          H8'1      CPN   4   9.706   5.169  -0.769
   31   H8'2  CPN   4          H8'2      CPN   4  10.445   4.820  -2.325
   32   H5'1  CPN   4          H5'1      CPN   4   7.088   7.423  -3.820
   33   H5'2  CPN   4          H5'2      CPN   4   8.302   8.663  -3.828
   34   H3'1  CPN   4          H3'1      CPN   4  10.453   7.067  -1.257
   35   H3'2  CPN   4          H3'2      CPN   4   9.615   8.598  -1.373
   36   H2'1  CPN   4          H2'1      CPN   4  11.719   8.699  -2.540
   37   H2'2  CPN   4          H2'2      CPN   4  10.395   8.923  -3.665
   38   H1'3  CPN   4          H1'3      CPN   4  12.067   6.433  -3.404
   39    H5   CPN   4           H5       CPN   4   9.106   0.504  -3.373
   40    H6   CPN   4           H6       CPN   4   9.867   2.810  -3.557
   41   HN41  CPN   4          HN41      CPN   4   7.890  -1.067  -1.964
   42   HN42  CPN   4          HN42      CPN   4   7.158  -0.580  -0.435
   43   H8'1  APN   5          H8'1      APN   5   5.918   6.136  -0.080
   44   H8'2  APN   5          H8'2      APN   5   4.806   6.077   1.286
   45   H5'1  APN   5          H5'1      APN   5   2.884   8.967  -1.776
   46   H5'2  APN   5          H5'2      APN   5   3.836  10.211  -1.024
   47   H3'1  APN   5          H3'1      APN   5   5.453   8.053   1.459
   48   H3'2  APN   5          H3'2      APN   5   4.602   9.579   1.448
   49   H2'1  APN   5          H2'1      APN   5   6.984   9.781   0.846
   50   H2'2  APN   5          H2'2      APN   5   5.900  10.423  -0.372
   51   H1'3  APN   5          H1'3      APN   5   7.480   7.879  -0.593
   52    H8   APN   5           H8       APN   5   5.815   4.078  -1.786
   53   HN61  APN   5          HN61      APN   5   3.268  -0.032  -0.550
   54   HN62  APN   5          HN62      APN   5   1.964  -0.239   0.626
   55    H21  APN   5           H21      APN   5   1.166   3.510   2.593
   56   H8'1  TPN   6          H8'1      TPN   6   0.865   6.909   1.163
   57   H8'2  TPN   6          H8'2      TPN   6  -0.235   6.393   2.430
   58   H5'1  TPN   6          H5'1      TPN   6  -2.219   9.842  -0.011
   59   H5'2  TPN   6          H5'2      TPN   6  -1.728  10.857   1.326
   60   H3'1  TPN   6          H3'1      TPN   6   0.157   8.333   3.111
   61   H3'2  TPN   6          H3'2      TPN   6  -0.869   9.727   3.368
   62   H2'1  TPN   6          H2'1      TPN   6   1.384  10.463   3.078
   63   H2'2  TPN   6          H2'2      TPN   6   0.424  11.029   1.724
   64   H1'3  TPN   6          H1'3      TPN   6   2.533   8.906   1.663
   65    H6   TPN   6           H6       TPN   6   0.934   5.810  -0.973
   66    HN3  TPN   6           HN3      TPN   6  -1.586   2.275   1.126
   67   HM51  TPN   6          HM51      TPN   6   1.732   2.641  -2.136
   68   HM52  TPN   6          HM52      TPN   6   1.770   4.352  -2.592
   69   HM53  TPN   6          HM53      TPN   6   0.451   3.296  -3.182
   70   H8'1  GPN   7          H8'1      GPN   7  -3.687   6.080   1.437
   71   H8'2  GPN   7          H8'2      GPN   7  -4.693   5.085   2.487
   72   H5'1  GPN   7          H5'1      GPN   7  -7.661   8.165   0.761
   73   H5'2  GPN   7          H5'2      GPN   7  -7.316   9.108   2.179
   74   H3'1  GPN   7          H3'1      GPN   7  -4.973   6.675   3.690
   75   H3'2  GPN   7          H3'2      GPN   7  -6.456   7.462   4.182
   76   H2'1  GPN   7          H2'1      GPN   7  -4.641   8.941   4.578
   77   H2'2  GPN   7          H2'2      GPN   7  -5.622   9.624   3.297
   78   H1'3  GPN   7          H1'3      GPN   7  -2.937   8.319   2.964
   79    H8   GPN   7           H8       GPN   7  -3.327   5.123  -1.108
   80    HN1  GPN   7           HN1      GPN   7  -6.492  -0.253   0.526
   81   HN21  GPN   7          HN21      GPN   7  -7.127   1.572   3.464
   82   HN22  GPN   7          HN22      GPN   7  -7.477   0.077   2.603
   83   H8'1  CPN   8          H8'1      CPN   8  -8.370   4.484   1.130
   84   H8'2  CPN   8          H8'2      CPN   8  -8.869   2.959   1.859
   85   H5'1  CPN   8          H5'1      CPN   8 -12.857   5.269   1.615
   86   H5'2  CPN   8          H5'2      CPN   8 -12.679   5.370   3.351
   87   H3'1  CPN   8          H3'1      CPN   8  -9.407   3.868   3.584
   88   H3'2  CPN   8          H3'2      CPN   8 -10.938   4.108   4.402
   89   H2'1  CPN   8          H2'1      CPN   8  -9.573   5.913   5.042
   90   H2'2  CPN   8          H2'2      CPN   8 -10.764   6.572   3.925
   91   H1'3  CPN   8          H1'3      CPN   8  -7.907   5.940   3.200
   92    H5   CPN   8           H5       CPN   8  -7.186   3.179  -3.139
   93    H6   CPN   8           H6       CPN   8  -7.574   4.429  -1.083
   94   HN41  CPN   8          HN41      CPN   8  -7.704   1.083  -4.315
   95   HN42  CPN   8          HN42      CPN   8  -8.737  -0.149  -3.579
   96   H8'1  CPN   9          H8'1      CPN   9 -13.058   2.883  -0.716
   97   H8'2  CPN   9          H8'2      CPN   9 -13.407   1.544   0.345
   98   H5'1  CPN   9          H5'1      CPN   9 -17.579   3.496  -0.152
   99   H5'2  CPN   9          H5'2      CPN   9 -17.997   2.360   1.118
  100   H3'1  CPN   9          H3'1      CPN   9 -14.808   0.867   1.512
  101   H3'2  CPN   9          H3'2      CPN   9 -16.519   0.755   1.820
  102   H2'1  CPN   9          H2'1      CPN   9 -15.314   1.901   3.641
  103   H2'2  CPN   9          H2'2      CPN   9 -16.581   2.896   2.925
  104   H1'3  CPN   9          H1'3      CPN   9 -14.988   4.441   2.243
  105    H5   CPN   9           H5       CPN   9 -11.723   0.849  -4.593
  106    H6   CPN   9           H6       CPN   9 -11.995   2.339  -2.682
  107   HN41  CPN   9          HN41      CPN   9 -12.468  -1.278  -5.574
  108   HN42  CPN   9          HN42      CPN   9 -13.615  -2.326  -4.735
  109    H1   ACE   1           H1       ACE   1 -21.020  -0.753   1.030
  110    H2   ACE   1           H2       ACE   1 -21.233  -2.023  -0.178
  111    H3   ACE   1           H3       ACE   1 -19.689  -1.163  -0.075
  112   H8'1  GPN   2          H8'1      GPN   2 -20.008  -6.071  -2.074
  113   H8'2  GPN   2          H8'2      GPN   2 -19.757  -7.737  -2.552
  114   H5'1  GPN   2          H5'1      GPN   2 -19.356  -8.270   1.891
  115   H5'2  GPN   2          H5'2      GPN   2 -19.881  -6.731   2.541
  116   H3'1  GPN   2          H3'1      GPN   2 -21.416  -6.216   1.212
  117   H3'2  GPN   2          H3'2      GPN   2 -21.377  -6.479  -0.513
  118   H2'1  GPN   2          H2'1      GPN   2 -21.605  -4.155  -0.136
  119   H2'2  GPN   2          H2'2      GPN   2 -19.956  -4.391  -0.743
  120   H1'3  GPN   2          H1'3      GPN   2 -19.713  -4.468   2.038
  121    H8   GPN   2           H8       GPN   2 -18.316  -7.666  -4.645
  122    HN1  GPN   2           HN1      GPN   2 -14.755  -2.749  -2.480
  123   HN21  GPN   2          HN21      GPN   2 -16.704  -3.169   0.406
  124   HN22  GPN   2          HN22      GPN   2 -15.453  -2.208  -0.359
  125   H8'1  GPN   3          H8'1      GPN   3 -13.823  -6.676  -1.492
  126   H8'2  GPN   3          H8'2      GPN   3 -14.086  -5.274  -0.464
  127   H5'1  GPN   3          H5'1      GPN   3 -11.597  -8.391   1.937
  128   H5'2  GPN   3          H5'2      GPN   3 -13.139  -9.122   2.301
  129   H3'1  GPN   3          H3'1      GPN   3 -15.049  -8.367   1.634
  130   H3'2  GPN   3          H3'2      GPN   3 -15.055  -7.529   0.093
  131   H2'1  GPN   3          H2'1      GPN   3 -15.025  -5.328   1.415
  132   H2'2  GPN   3          H2'2      GPN   3 -15.225  -6.304   2.874
  133   H1'3  GPN   3          H1'3      GPN   3 -17.188  -6.078   0.603
  134    H8   GPN   3           H8       GPN   3 -12.193  -6.390  -3.484
  135    HN1  GPN   3           HN1      GPN   3 -10.263  -0.632  -1.330
  136   HN21  GPN   3          HN21      GPN   3 -12.269  -1.507   1.430
  137   HN22  GPN   3          HN22      GPN   3 -11.172  -0.293   0.786
  138   H8'1  CPN   4          H8'1      CPN   4 -10.413  -4.516   1.983
  139   H8'2  CPN   4          H8'2      CPN   4  -9.975  -3.005   2.762
  140   H5'1  CPN   4          H5'1      CPN   4  -7.546  -6.199   5.032
  141   H5'2  CPN   4          H5'2      CPN   4  -9.003  -6.600   5.884
  142   H3'1  CPN   4          H3'1      CPN   4 -11.039  -3.883   4.336
  143   H3'2  CPN   4          H3'2      CPN   4 -10.513  -4.158   5.981
  144   H2'1  CPN   4          H2'1      CPN   4 -12.473  -5.475   5.467
  145   H2'2  CPN   4          H2'2      CPN   4 -11.120  -6.527   5.843
  146   H1'3  CPN   4          H1'3      CPN   4 -11.111  -6.305   3.042
  147    H5   CPN   4           H5       CPN   4  -7.997  -4.544  -1.997
  148    H6   CPN   4           H6       CPN   4  -9.263  -5.248  -0.056
  149   HN41  CPN   4          HN41      CPN   4  -6.626  -2.766  -2.921
  150   HN42  CPN   4          HN42      CPN   4  -6.215  -1.320  -1.998
  151   H8'1  APN   5          H8'1      APN   5  -6.563  -2.487   4.692
  152   H8'2  APN   5          H8'2      APN   5  -5.951  -0.862   4.991
  153   H5'1  APN   5          H5'1      APN   5  -3.734  -3.365   8.163
  154   H5'2  APN   5          H5'2      APN   5  -5.053  -2.959   9.232
  155   H3'1  APN   5          H3'1      APN   5  -7.003  -1.068   6.775
  156   H3'2  APN   5          H3'2      APN   5  -6.516  -1.046   8.457
  157   H2'1  APN   5          H2'1      APN   5  -8.536  -2.307   8.261
  158   H2'2  APN   5          H2'2      APN   5  -7.228  -3.383   8.736
  159   H1'3  APN   5          H1'3      APN   5  -8.305  -3.207   5.921
  160    H8   APN   5           H8       APN   5  -5.667  -3.672   2.529
  161   HN61  APN   5          HN61      APN   5  -2.705  -1.234  -0.659
  162   HN62  APN   5          HN62      APN   5  -1.662   0.167  -0.385
  163    H21  APN   5           H21      APN   5  -2.023   1.464   3.713
  164   H8'1  TPN   6          H8'1      TPN   6  -1.692  -0.755   7.082
  165   H8'2  TPN   6          H8'2      TPN   6  -0.909   0.816   6.977
  166   H5'1  TPN   6          H5'1      TPN   6   1.675  -1.907   9.753
  167   H5'2  TPN   6          H5'2      TPN   6   0.821  -1.150  11.075
  168   H3'1  TPN   6          H3'1      TPN   6  -1.459   0.817   9.022
  169   H3'2  TPN   6          H3'2      TPN   6  -0.479   0.978  10.461
  170   H2'1  TPN   6          H2'1      TPN   6  -2.593  -0.001  11.034
  171   H2'2  TPN   6          H2'2      TPN   6  -1.315  -1.168  11.333
  172   H1'3  TPN   6          H1'3      TPN   6  -2.323  -2.604   9.819
  173    H6   TPN   6           H6       TPN   6  -1.413  -2.414   5.398
  174    HN3  TPN   6           HN3      TPN   6   1.158   0.792   2.881
  175   HM51  TPN   6          HM51      TPN   6  -0.106  -3.911   2.686
  176   HM52  TPN   6          HM52      TPN   6  -1.433  -2.981   1.961
  177   HM53  TPN   6          HM53      TPN   6  -1.683  -3.781   3.522
  178   H8'1  GPN   7          H8'1      GPN   7   2.748   0.759   6.816
  179   H8'2  GPN   7          H8'2      GPN   7   3.592   2.178   6.196
  180   H5'1  GPN   7          H5'1      GPN   7   6.591   0.470   9.245
  181   H5'2  GPN   7          H5'2      GPN   7   5.796   1.475  10.417
  182   H3'1  GPN   7          H3'1      GPN   7   3.428   3.029   8.019
  183   H3'2  GPN   7          H3'2      GPN   7   4.667   3.637   9.092
  184   H2'1  GPN   7          H2'1      GPN   7   2.644   3.271  10.316
  185   H2'2  GPN   7          H2'2      GPN   7   3.874   2.170  10.905
  186   H1'3  GPN   7          H1'3      GPN   7   1.472   1.470   9.273
  187    H8   GPN   7           H8       GPN   7   2.921  -1.478   5.281
  188    HN1  GPN   7           HN1      GPN   7   6.660   1.671   1.070
  189   HN21  GPN   7          HN21      GPN   7   6.326   4.261   3.426
  190   HN22  GPN   7          HN22      GPN   7   7.085   3.798   1.907
  191   H8'1  CPN   8          H8'1      CPN   8   7.621   1.957   6.002
  192   H8'2  CPN   8          H8'2      CPN   8   8.362   3.029   4.817
  193   H5'1  CPN   8          H5'1      CPN   8  11.471   2.624   8.213
  194   H5'2  CPN   8          H5'2      CPN   8  10.826   4.141   8.773
  195   H3'1  CPN   8          H3'1      CPN   8   8.361   4.575   6.115
  196   H3'2  CPN   8          H3'2      CPN   8   9.584   5.495   6.962
  197   H2'1  CPN   8          H2'1      CPN   8   7.537   5.525   8.217
  198   H2'2  CPN   8          H2'2      CPN   8   8.772   4.673   9.130
  199   H1'3  CPN   8          H1'3      CPN   8   6.418   3.435   7.746
  200    H5   CPN   8           H5       CPN   8   7.679  -2.161   3.900
  201    H6   CPN   8           H6       CPN   8   7.421  -0.360   5.519
  202   HN41  CPN   8          HN41      CPN   8   8.742  -2.782   1.783
  203   HN42  CPN   8          HN42      CPN   8   9.772  -1.651   0.898
  204   H8'1  CPN   9          H8'1      CPN   9  12.375   2.166   4.870
  205   H8'2  CPN   9          H8'2      CPN   9  12.863   2.872   3.347
  206   H5'1  CPN   9          H5'1      CPN   9  16.173   3.772   6.457
  207   H5'2  CPN   9          H5'2      CPN   9  15.908   5.415   5.919
  208   H3'1  CPN   9          H3'1      CPN   9  13.378   4.734   3.481
  209   H3'2  CPN   9          H3'2      CPN   9  14.705   5.788   3.883
  210   H2'1  CPN   9          H2'1      CPN   9  12.634   6.578   4.880
  211   H2'2  CPN   9          H2'2      CPN   9  13.827   6.193   6.111
  212   H1'3  CPN   9          H1'3      CPN   9  11.304   4.714   5.544
  213    H5   CPN   9           H5       CPN   9  12.127  -2.287   3.718
  214    H6   CPN   9           H6       CPN   9  12.019  -0.155   4.893
  215   HN41  CPN   9          HN41      CPN   9  13.048  -3.421   1.750
  216   HN42  CPN   9          HN42      CPN   9  14.069  -2.572   0.587
  217    HN2  NME  10           HN2      NME  10 -16.652   0.295  -0.976
  218    H1   NME  10           H1       NME  10 -19.072  -0.099  -2.722
  219    H2   NME  10           H2       NME  10 -18.192  -1.433  -1.956
  220    H3   NME  10           H3       NME  10 -17.404  -0.452  -3.204
  221    HN2  NME  10           HN2      NME  10  16.373   3.450   3.179
  222    H1   NME  10           H1       NME  10  18.755   4.695   2.314
  223    H2   NME  10           H2       NME  10  18.128   3.152   1.698
  224    H3   NME  10           H3       NME  10  19.223   3.169   3.094
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1  24.980   6.452  -4.055
    2    H2   ACE   1           H2       ACE   1  25.902   7.512  -2.962
    3    H3   ACE   1           H3       ACE   1  24.315   8.029  -3.575
    4   H8'1  GPN   2          H8'1      GPN   2  21.382   3.266  -6.196
    5   H8'2  GPN   2          H8'2      GPN   2  21.569   3.395  -4.463
    6   H5'1  GPN   2          H5'1      GPN   2  19.197   7.148  -5.446
    7   H5'2  GPN   2          H5'2      GPN   2  19.514   7.511  -3.760
    8   H3'1  GPN   2          H3'1      GPN   2  20.290   5.965  -2.321
    9   H3'2  GPN   2          H3'2      GPN   2  20.939   4.413  -2.826
   10   H2'1  GPN   2          H2'1      GPN   2  21.968   7.147  -3.694
   11   H2'2  GPN   2          H2'2      GPN   2  22.638   5.588  -4.220
   12   H1'3  GPN   2          H1'3      GPN   2  22.576   5.635  -1.360
   13    H8   GPN   2           H8       GPN   2  20.502   0.964  -6.843
   14    HN1  GPN   2           HN1      GPN   2  16.952   0.444  -1.486
   15   HN21  GPN   2          HN21      GPN   2  18.289   3.635  -0.842
   16   HN22  GPN   2          HN22      GPN   2  17.244   2.375  -0.226
   17   H8'1  GPN   3          H8'1      GPN   3  15.006   1.565  -3.286
   18   H8'2  GPN   3          H8'2      GPN   3  14.619   2.495  -1.838
   19   H5'1  GPN   3          H5'1      GPN   3  12.254   4.228  -5.538
   20   H5'2  GPN   3          H5'2      GPN   3  13.637   5.249  -5.845
   21   H3'1  GPN   3          H3'1      GPN   3  15.529   4.514  -5.355
   22   H3'2  GPN   3          H3'2      GPN   3  15.835   3.109  -4.355
   23   H2'1  GPN   3          H2'1      GPN   3  15.805   4.476  -2.326
   24   H2'2  GPN   3          H2'2      GPN   3  15.239   5.881  -3.245
   25   H1'3  GPN   3          H1'3      GPN   3  17.962   4.631  -3.490
   26    H8   GPN   3           H8       GPN   3  13.749  -0.684  -3.743
   27    HN1  GPN   3           HN1      GPN   3  10.631  -0.186   1.877
   28   HN21  GPN   3          HN21      GPN   3  12.029   3.046   1.841
   29   HN22  GPN   3          HN22      GPN   3  11.003   1.938   2.743
   30   H8'1  CPN   4          H8'1      CPN   4  10.134   4.148   0.051
   31   H8'2  CPN   4          H8'2      CPN   4  10.872   3.719  -1.482
   32   H5'1  CPN   4          H5'1      CPN   4   8.043   6.846  -3.047
   33   H5'2  CPN   4          H5'2      CPN   4   9.417   7.902  -2.949
   34   H3'1  CPN   4          H3'1      CPN   4  11.225   5.891  -0.407
   35   H3'2  CPN   4          H3'2      CPN   4  10.602   7.525  -0.432
   36   H2'1  CPN   4          H2'1      CPN   4  12.730   7.435  -1.541
   37   H2'2  CPN   4          H2'2      CPN   4  11.489   7.877  -2.694
   38   H1'3  CPN   4          H1'3      CPN   4  12.699   5.119  -2.498
   39    H5   CPN   4           H5       CPN   4   8.951  -0.337  -2.663
   40    H6   CPN   4           H6       CPN   4  10.003   1.850  -2.803
   41   HN41  CPN   4          HN41      CPN   4   7.520  -1.752  -1.301
   42   HN42  CPN   4          HN42      CPN   4   6.813  -1.191   0.213
   43   H8'1  APN   5          H8'1      APN   5   6.495   5.528   0.346
   44   H8'2  APN   5          H8'2      APN   5   5.553   5.455   1.834
   45   H5'1  APN   5          H5'1      APN   5   3.568   8.961  -0.397
   46   H5'2  APN   5          H5'2      APN   5   4.656   9.984   0.508
   47   H3'1  APN   5          H3'1      APN   5   6.451   7.282   2.202
   48   H3'2  APN   5          H3'2      APN   5   5.803   8.887   2.468
   49   H2'1  APN   5          H2'1      APN   5   8.055   9.045   1.639
   50   H2'2  APN   5          H2'2      APN   5   6.932   9.738   0.478
   51   H1'3  APN   5          H1'3      APN   5   8.232   7.029   0.176
   52    H8   APN   5           H8       APN   5   6.117   3.552  -1.314
   53   HN61  APN   5          HN61      APN   5   3.004  -0.185  -0.186
   54   HN62  APN   5          HN62      APN   5   1.640  -0.215   0.938
   55    H21  APN   5           H21      APN   5   1.283   3.616   2.888
   56   H8'1  TPN   6          H8'1      TPN   6   1.173   7.245   1.246
   57   H8'2  TPN   6          H8'2      TPN   6   0.132   6.736   2.569
   58   H5'1  TPN   6          H5'1      TPN   6  -2.167   9.974   0.129
   59   H5'2  TPN   6          H5'2      TPN   6  -1.684  11.056   1.412
   60   H3'1  TPN   6          H3'1      TPN   6   0.370   8.688   3.233
   61   H3'2  TPN   6          H3'2      TPN   6  -0.751  10.006   3.489
   62   H2'1  TPN   6          H2'1      TPN   6   1.456  10.889   3.169
   63   H2'2  TPN   6          H2'2      TPN   6   0.432  11.397   1.834
   64   H1'3  TPN   6          H1'3      TPN   6   1.852  10.298   0.365
   65    H6   TPN   6           H6       TPN   6   1.437   5.930  -0.695
   66    HN3  TPN   6           HN3      TPN   6  -1.514   2.674   1.279
   67   HM51  TPN   6          HM51      TPN   6   0.877   3.493  -2.919
   68   HM52  TPN   6          HM52      TPN   6   1.976   2.660  -1.801
   69   HM53  TPN   6          HM53      TPN   6   2.276   4.356  -2.205
   70   H8'1  GPN   7          H8'1      GPN   7  -3.447   6.465   1.442
   71   H8'2  GPN   7          H8'2      GPN   7  -4.399   5.434   2.505
   72   H5'1  GPN   7          H5'1      GPN   7  -7.445   8.570   1.011
   73   H5'2  GPN   7          H5'2      GPN   7  -7.120   9.368   2.523
   74   H3'1  GPN   7          H3'1      GPN   7  -4.850   6.795   3.858
   75   H3'2  GPN   7          H3'2      GPN   7  -6.296   7.634   4.361
   76   H2'1  GPN   7          H2'1      GPN   7  -4.356   8.966   4.848
   77   H2'2  GPN   7          H2'2      GPN   7  -5.356   9.788   3.665
   78   H1'3  GPN   7          H1'3      GPN   7  -2.693   8.516   3.186
   79    H8   GPN   7           H8       GPN   7  -2.893   5.398  -0.964
   80    HN1  GPN   7           HN1      GPN   7  -6.829   0.437   0.280
   81   HN21  GPN   7          HN21      GPN   7  -7.464   2.308   3.191
   82   HN22  GPN   7          HN22      GPN   7  -7.916   0.858   2.298
   83   H8'1  CPN   8          H8'1      CPN   8  -8.208   5.390   0.572
   84   H8'2  CPN   8          H8'2      CPN   8  -8.767   3.938   1.369
   85   H5'1  CPN   8          H5'1      CPN   8 -12.193   7.033   1.470
   86   H5'2  CPN   8          H5'2      CPN   8 -12.558   6.203   2.969
   87   H3'1  CPN   8          H3'1      CPN   8  -9.821   3.999   2.981
   88   H3'2  CPN   8          H3'2      CPN   8 -11.312   4.513   3.709
   89   H2'1  CPN   8          H2'1      CPN   8  -9.384   5.547   4.805
   90   H2'2  CPN   8          H2'2      CPN   8 -10.488   6.735   4.125
   91   H1'3  CPN   8          H1'3      CPN   8  -7.783   6.029   3.014
   92    H5   CPN   8           H5       CPN   8  -6.840   3.615  -3.413
   93    H6   CPN   8           H6       CPN   8  -7.206   5.027  -1.447
   94   HN41  CPN   8          HN41      CPN   8  -7.571   1.573  -4.543
   95   HN42  CPN   8          HN42      CPN   8  -8.850   0.551  -3.885
   96   H8'1  CPN   9          H8'1      CPN   9 -13.248   1.337  -2.772
   97   H8'2  CPN   9          H8'2      CPN   9 -14.200   0.558  -1.515
   98   H5'1  CPN   9          H5'1      CPN   9 -16.691   4.010  -3.522
   99   H5'2  CPN   9          H5'2      CPN   9 -15.984   5.088  -2.340
  100   H3'1  CPN   9          H3'1      CPN   9 -14.048   4.662  -1.661
  101   H3'2  CPN   9          H3'2      CPN   9 -13.218   3.131  -1.808
  102   H2'1  CPN   9          H2'1      CPN   9 -14.284   2.283   0.226
  103   H2'2  CPN   9          H2'2      CPN   9 -15.344   3.702   0.294
  104   H1'3  CPN   9          H1'3      CPN   9 -12.427   3.669   0.896
  105    H5   CPN   9           H5       CPN   9 -13.166  -1.553  -6.342
  106    H6   CPN   9           H6       CPN   9 -12.960   0.415  -4.919
  107   HN41  CPN   9          HN41      CPN   9 -14.236  -3.744  -6.547
  108   HN42  CPN   9          HN42      CPN   9 -15.335  -4.362  -5.310
  109    H1   ACE   1           H1       ACE   1 -22.035  -2.305   0.124
  110    H2   ACE   1           H2       ACE   1 -20.470  -2.758  -0.584
  111    H3   ACE   1           H3       ACE   1 -20.745  -1.089  -0.023
  112   H8'1  GPN   2          H8'1      GPN   2 -21.072  -6.983  -0.417
  113   H8'2  GPN   2          H8'2      GPN   2 -20.766  -8.708  -0.418
  114   H5'1  GPN   2          H5'1      GPN   2 -19.297  -7.690   3.772
  115   H5'2  GPN   2          H5'2      GPN   2 -19.701  -5.990   3.923
  116   H3'1  GPN   2          H3'1      GPN   2 -21.626  -6.027   3.000
  117   H3'2  GPN   2          H3'2      GPN   2 -21.991  -6.879   1.515
  118   H2'1  GPN   2          H2'1      GPN   2 -22.318  -4.600   1.029
  119   H2'2  GPN   2          H2'2      GPN   2 -20.773  -5.000   0.265
  120   H1'3  GPN   2          H1'3      GPN   2 -20.301  -3.984   2.917
  121    H8   GPN   2           H8       GPN   2 -19.737  -9.311  -2.663
  122    HN1  GPN   2           HN1      GPN   2 -16.320  -3.857  -2.994
  123   HN21  GPN   2          HN21      GPN   2 -17.779  -3.253   0.142
  124   HN22  GPN   2          HN22      GPN   2 -16.742  -2.597  -1.104
  125   H8'1  GPN   3          H8'1      GPN   3 -14.402  -5.470  -1.484
  126   H8'2  GPN   3          H8'2      GPN   3 -14.361  -4.123  -0.348
  127   H5'1  GPN   3          H5'1      GPN   3 -12.103  -7.829   1.420
  128   H5'2  GPN   3          H5'2      GPN   3 -13.641  -8.348   2.059
  129   H3'1  GPN   3          H3'1      GPN   3 -15.462  -7.608   1.330
  130   H3'2  GPN   3          H3'2      GPN   3 -15.549  -6.527  -0.050
  131   H2'1  GPN   3          H2'1      GPN   3 -15.658  -4.574   1.412
  132   H2'2  GPN   3          H2'2      GPN   3 -15.259  -5.563   2.822
  133   H1'3  GPN   3          H1'3      GPN   3 -17.833  -5.769   1.275
  134    H8   GPN   3           H8       GPN   3 -12.595  -5.543  -3.424
  135    HN1  GPN   3           HN1      GPN   3 -10.518   0.316  -1.715
  136   HN21  GPN   3          HN21      GPN   3 -12.519  -0.314   1.114
  137   HN22  GPN   3          HN22      GPN   3 -11.418   0.838   0.367
  138   H8'1  CPN   4          H8'1      CPN   4 -10.964  -3.651   1.657
  139   H8'2  CPN   4          H8'2      CPN   4 -10.540  -2.121   2.408
  140   H5'1  CPN   4          H5'1      CPN   4  -8.358  -5.298   4.937
  141   H5'2  CPN   4          H5'2      CPN   4  -9.865  -5.601   5.736
  142   H3'1  CPN   4          H3'1      CPN   4 -11.757  -2.966   3.902
  143   H3'2  CPN   4          H3'2      CPN   4 -11.353  -3.181   5.592
  144   H2'1  CPN   4          H2'1      CPN   4 -13.257  -4.525   5.048
  145   H2'2  CPN   4          H2'2      CPN   4 -11.920  -5.579   5.459
  146   H1'3  CPN   4          H1'3      CPN   4 -12.611  -5.015   2.585
  147    H5   CPN   4           H5       CPN   4  -8.295  -3.914  -2.139
  148    H6   CPN   4           H6       CPN   4  -9.672  -4.516  -0.227
  149   HN41  CPN   4          HN41      CPN   4  -6.855  -2.191  -3.069
  150   HN42  CPN   4          HN42      CPN   4  -6.476  -0.710  -2.191
  151   H8'1  APN   5          H8'1      APN   5  -7.207  -1.604   4.461
  152   H8'2  APN   5          H8'2      APN   5  -6.514  -0.013   4.768
  153   H5'1  APN   5          H5'1      APN   5  -4.704  -2.524   8.175
  154   H5'2  APN   5          H5'2      APN   5  -6.060  -1.977   9.128
  155   H3'1  APN   5          H3'1      APN   5  -7.703  -0.085   6.459
  156   H3'2  APN   5          H3'2      APN   5  -7.337  -0.022   8.170
  157   H2'1  APN   5          H2'1      APN   5  -9.427  -1.157   7.837
  158   H2'2  APN   5          H2'2      APN   5  -8.240  -2.270   8.504
  159   H1'3  APN   5          H1'3      APN   5  -9.082  -2.233   5.604
  160    H8   APN   5           H8       APN   5  -6.274  -2.856   2.367
  161   HN61  APN   5          HN61      APN   5  -2.925  -0.682  -0.621
  162   HN62  APN   5          HN62      APN   5  -1.776   0.616  -0.274
  163    H21  APN   5           H21      APN   5  -2.281   1.940   3.804
  164   H8'1  TPN   6          H8'1      TPN   6  -2.394  -0.194   7.160
  165   H8'2  TPN   6          H8'2      TPN   6  -1.457   1.290   7.054
  166   H5'1  TPN   6          H5'1      TPN   6   0.561  -1.535  10.176
  167   H5'2  TPN   6          H5'2      TPN   6  -0.265  -0.567  11.373
  168   H3'1  TPN   6          H3'1      TPN   6  -2.123   1.497   9.027
  169   H3'2  TPN   6          H3'2      TPN   6  -1.252   1.632  10.538
  170   H2'1  TPN   6          H2'1      TPN   6  -3.525   0.931  10.938
  171   H2'2  TPN   6          H2'2      TPN   6  -2.410  -0.327  11.451
  172   H1'3  TPN   6          H1'3      TPN   6  -3.381  -1.778   9.922
  173    H6   TPN   6           H6       TPN   6  -2.156  -1.943   5.567
  174    HN3  TPN   6           HN3      TPN   6   0.853   0.923   3.130
  175   HM51  TPN   6          HM51      TPN   6  -0.902  -3.643   2.966
  176   HM52  TPN   6          HM52      TPN   6  -2.057  -2.581   2.136
  177   HM53  TPN   6          HM53      TPN   6  -2.501  -3.296   3.693
  178   H8'1  GPN   7          H8'1      GPN   7   2.218   0.757   7.195
  179   H8'2  GPN   7          H8'2      GPN   7   3.231   2.065   6.586
  180   H5'1  GPN   7          H5'1      GPN   7   5.800   0.101   9.884
  181   H5'2  GPN   7          H5'2      GPN   7   5.083   1.267  10.952
  182   H3'1  GPN   7          H3'1      GPN   7   3.147   3.032   8.333
  183   H3'2  GPN   7          H3'2      GPN   7   4.381   3.494   9.480
  184   H2'1  GPN   7          H2'1      GPN   7   2.231   3.477  10.543
  185   H2'2  GPN   7          H2'2      GPN   7   3.247   2.248  11.270
  186   H1'3  GPN   7          H1'3      GPN   7   0.897   1.798   9.475
  187    H8   GPN   7           H8       GPN   7   2.207  -1.503   5.697
  188    HN1  GPN   7           HN1      GPN   7   6.524   1.120   1.680
  189   HN21  GPN   7          HN21      GPN   7   6.452   3.709   4.061
  190   HN22  GPN   7          HN22      GPN   7   7.218   3.154   2.577
  191   H8'1  CPN   8          H8'1      CPN   8   7.139   1.141   6.551
  192   H8'2  CPN   8          H8'2      CPN   8   8.195   2.096   5.518
  193   H5'1  CPN   8          H5'1      CPN   8  10.345   1.421   9.612
  194   H5'2  CPN   8          H5'2      CPN   8  10.813   3.084   9.310
  195   H3'1  CPN   8          H3'1      CPN   8   8.521   3.634   6.687
  196   H3'2  CPN   8          H3'2      CPN   8   9.838   4.263   7.645
  197   H2'1  CPN   8          H2'1      CPN   8   7.657   4.827   8.605
  198   H2'2  CPN   8          H2'2      CPN   8   8.635   3.871   9.709
  199   H1'3  CPN   8          H1'3      CPN   8   6.246   2.879   8.179
  200    H5   CPN   8           H5       CPN   8   6.799  -2.856   4.252
  201    H6   CPN   8           H6       CPN   8   6.625  -1.085   5.926
  202   HN41  CPN   8          HN41      CPN   8   8.019  -3.572   2.244
  203   HN42  CPN   8          HN42      CPN   8   9.315  -2.589   1.552
  204   H8'1  CPN   9          H8'1      CPN   9  13.771   0.480   3.633
  205   H8'2  CPN   9          H8'2      CPN   9  14.429   1.815   2.702
  206   H5'1  CPN   9          H5'1      CPN   9  17.377   0.869   6.212
  207   H5'2  CPN   9          H5'2      CPN   9  16.293   1.742   7.271
  208   H3'1  CPN   9          H3'1      CPN   9  13.780   2.527   4.836
  209   H3'2  CPN   9          H3'2      CPN   9  14.530   3.015   6.356
  210   H2'1  CPN   9          H2'1      CPN   9  14.217   0.671   7.211
  211   H2'2  CPN   9          H2'2      CPN   9  13.310   0.282   5.753
  212   H1'3  CPN   9          H1'3      CPN   9  11.617   1.965   6.432
  213    H5   CPN   9           H5       CPN   9  14.343  -3.253   0.998
  214    H6   CPN   9           H6       CPN   9  13.855  -1.745   2.852
  215   HN41  CPN   9          HN41      CPN   9  15.475  -3.422  -1.175
  216   HN42  CPN   9          HN42      CPN   9  16.343  -2.052  -1.873
  217    HN2  NME  10           HN2      NME  10 -16.978   2.208  -0.790
  218    H1   NME  10           H1       NME  10 -18.708   1.713   0.669
  219    H2   NME  10           H2       NME  10 -19.783   2.555  -0.465
  220    H3   NME  10           H3       NME  10 -18.961   3.464   0.820
  221    HN2  NME  10           HN2      NME  10  16.762   3.482   4.357
  222    H1   NME  10           H1       NME  10  17.813   5.806   5.430
  223    H2   NME  10           H2       NME  10  18.080   5.300   3.748
  224    H3   NME  10           H3       NME  10  19.249   4.853   5.005
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1  23.528   9.374  -4.070
    2    H2   ACE   1           H2       ACE   1  23.969   7.656  -4.188
    3    H3   ACE   1           H3       ACE   1  25.038   8.781  -3.335
    4   H8'1  GPN   2          H8'1      GPN   2  21.253   3.787  -5.642
    5   H8'2  GPN   2          H8'2      GPN   2  21.166   3.877  -3.892
    6   H5'1  GPN   2          H5'1      GPN   2  18.458   7.272  -5.348
    7   H5'2  GPN   2          H5'2      GPN   2  18.562   7.762  -3.670
    8   H3'1  GPN   2          H3'1      GPN   2  19.722   6.691  -2.222
    9   H3'2  GPN   2          H3'2      GPN   2  20.531   5.155  -2.461
   10   H2'1  GPN   2          H2'1      GPN   2  21.220   7.606  -4.138
   11   H2'2  GPN   2          H2'2      GPN   2  22.194   6.141  -3.878
   12   H1'3  GPN   2          H1'3      GPN   2  21.720   7.389  -1.346
   13    H8   GPN   2           H8       GPN   2  20.783   1.416  -6.496
   14    HN1  GPN   2           HN1      GPN   2  16.791   0.097  -1.607
   15   HN21  GPN   2          HN21      GPN   2  17.623   3.378  -0.639
   16   HN22  GPN   2          HN22      GPN   2  16.684   1.960  -0.226
   17   H8'1  GPN   3          H8'1      GPN   3  14.777   1.078  -3.386
   18   H8'2  GPN   3          H8'2      GPN   3  14.258   2.196  -2.125
   19   H5'1  GPN   3          H5'1      GPN   3  12.192   3.348  -6.160
   20   H5'2  GPN   3          H5'2      GPN   3  13.614   4.291  -6.518
   21   H3'1  GPN   3          H3'1      GPN   3  15.429   4.065  -5.481
   22   H3'2  GPN   3          H3'2      GPN   3  15.692   2.760  -4.338
   23   H2'1  GPN   3          H2'1      GPN   3  15.202   4.209  -2.456
   24   H2'2  GPN   3          H2'2      GPN   3  14.553   5.464  -3.523
   25   H1'3  GPN   3          H1'3      GPN   3  17.446   4.696  -3.334
   26    H8   GPN   3           H8       GPN   3  13.524  -1.248  -3.603
   27    HN1  GPN   3           HN1      GPN   3  10.234   0.000   1.800
   28   HN21  GPN   3          HN21      GPN   3  11.518   3.231   1.289
   29   HN22  GPN   3          HN22      GPN   3  10.473   2.248   2.307
   30   H8'1  CPN   4          H8'1      CPN   4   9.685   4.099  -0.757
   31   H8'2  CPN   4          H8'2      CPN   4  10.518   3.430  -2.152
   32   H5'1  CPN   4          H5'1      CPN   4   7.598   6.037  -4.377
   33   H5'2  CPN   4          H5'2      CPN   4   8.955   7.109  -4.508
   34   H3'1  CPN   4          H3'1      CPN   4  10.716   5.787  -1.500
   35   H3'2  CPN   4          H3'2      CPN   4  10.007   7.348  -1.848
   36   H2'1  CPN   4          H2'1      CPN   4  12.191   7.177  -2.846
   37   H2'2  CPN   4          H2'2      CPN   4  10.981   7.340  -4.103
   38   H1'3  CPN   4          H1'3      CPN   4  12.154   4.667  -3.356
   39    H5   CPN   4           H5       CPN   4   8.809  -0.860  -2.653
   40    H6   CPN   4           H6       CPN   4   9.784   1.311  -3.147
   41   HN41  CPN   4          HN41      CPN   4   7.387  -2.078  -1.097
   42   HN42  CPN   4          HN42      CPN   4   6.626  -1.294   0.287
   43   H8'1  APN   5          H8'1      APN   5   6.042   5.376  -0.842
   44   H8'2  APN   5          H8'2      APN   5   5.079   5.583   0.620
   45   H5'1  APN   5          H5'1      APN   5   2.978   8.400  -2.356
   46   H5'2  APN   5          H5'2      APN   5   4.031   9.646  -1.739
   47   H3'1  APN   5          H3'1      APN   5   5.878   7.491   0.589
   48   H3'2  APN   5          H3'2      APN   5   5.139   9.075   0.504
   49   H2'1  APN   5          H2'1      APN   5   7.399   9.188  -0.307
   50   H2'2  APN   5          H2'2      APN   5   6.273   9.555  -1.607
   51   H1'3  APN   5          H1'3      APN   5   7.663   6.894  -1.301
   52    H8   APN   5           H8       APN   5   5.737   3.096  -2.092
   53   HN61  APN   5          HN61      APN   5   2.817  -0.481  -0.188
   54   HN62  APN   5          HN62      APN   5   1.474  -0.350   0.954
   55    H21  APN   5           H21      APN   5   0.973   3.766   2.145
   56   H8'1  TPN   6          H8'1      TPN   6   0.647   7.062  -0.253
   57   H8'2  TPN   6          H8'2      TPN   6  -0.378   6.859   1.162
   58   H5'1  TPN   6          H5'1      TPN   6  -2.811   9.222  -2.042
   59   H5'2  TPN   6          H5'2      TPN   6  -2.297  10.655  -1.185
   60   H3'1  TPN   6          H3'1      TPN   6  -0.179   8.950   1.243
   61   H3'2  TPN   6          H3'2      TPN   6  -1.363  10.236   1.168
   62   H2'1  TPN   6          H2'1      TPN   6   0.795  11.111   0.605
   63   H2'2  TPN   6          H2'2      TPN   6  -0.250  11.211  -0.804
   64   H1'3  TPN   6          H1'3      TPN   6   1.238   9.859  -1.955
   65    H6   TPN   6           H6       TPN   6   0.950   5.320  -1.834
   66    HN3  TPN   6           HN3      TPN   6  -1.883   2.530   0.891
   67   HM51  TPN   6          HM51      TPN   6   0.330   2.431  -3.446
   68   HM52  TPN   6          HM52      TPN   6   1.528   1.910  -2.245
   69   HM53  TPN   6          HM53      TPN   6   1.724   3.478  -3.047
   70   H8'1  GPN   7          H8'1      GPN   7  -3.932   6.133   0.393
   71   H8'2  GPN   7          H8'2      GPN   7  -4.944   5.442   1.663
   72   H5'1  GPN   7          H5'1      GPN   7  -7.926   8.063  -0.671
   73   H5'2  GPN   7          H5'2      GPN   7  -7.500   9.324   0.443
   74   H3'1  GPN   7          H3'1      GPN   7  -5.216   7.241   2.498
   75   H3'2  GPN   7          H3'2      GPN   7  -6.684   8.131   2.823
   76   H2'1  GPN   7          H2'1      GPN   7  -4.791   9.608   2.858
   77   H2'2  GPN   7          H2'2      GPN   7  -5.856  10.055   1.538
   78   H1'3  GPN   7          H1'3      GPN   7  -3.175   8.749   1.311
   79    H8   GPN   7           H8       GPN   7  -3.480   4.528  -1.737
   80    HN1  GPN   7           HN1      GPN   7  -7.260  -0.020   0.854
   81   HN21  GPN   7          HN21      GPN   7  -7.747   2.472   3.296
   82   HN22  GPN   7          HN22      GPN   7  -8.228   0.856   2.790
   83   H8'1  CPN   8          H8'1      CPN   8  -8.877   4.591   0.757
   84   H8'2  CPN   8          H8'2      CPN   8  -9.777   3.319   1.576
   85   H5'1  CPN   8          H5'1      CPN   8 -12.884   6.537   0.391
   86   H5'2  CPN   8          H5'2      CPN   8 -12.673   7.134   2.014
   87   H3'1  CPN   8          H3'1      CPN   8 -10.144   4.707   3.036
   88   H3'2  CPN   8          H3'2      CPN   8 -11.616   5.425   3.652
   89   H2'1  CPN   8          H2'1      CPN   8  -9.724   6.858   4.096
   90   H2'2  CPN   8          H2'2      CPN   8 -10.858   7.663   3.026
   91   H1'3  CPN   8          H1'3      CPN   8  -8.181   6.551   2.262
   92    H5   CPN   8           H5       CPN   8  -7.723   2.715  -3.310
   93    H6   CPN   8           H6       CPN   8  -8.147   4.293  -1.503
   94   HN41  CPN   8          HN41      CPN   8  -8.252   0.478  -4.150
   95   HN42  CPN   8          HN42      CPN   8  -9.357  -0.598  -3.292
   96   H8'1  CPN   9          H8'1      CPN   9 -13.319   2.838  -0.049
   97   H8'2  CPN   9          H8'2      CPN   9 -13.878   1.251   0.443
   98   H5'1  CPN   9          H5'1      CPN   9 -17.645   3.978   0.406
   99   H5'2  CPN   9          H5'2      CPN   9 -17.730   3.485   2.083
  100   H3'1  CPN   9          H3'1      CPN   9 -14.639   1.673   2.204
  101   H3'2  CPN   9          H3'2      CPN   9 -16.245   1.802   2.884
  102   H2'1  CPN   9          H2'1      CPN   9 -14.761   3.244   4.094
  103   H2'2  CPN   9          H2'2      CPN   9 -15.930   4.230   3.226
  104   H1'3  CPN   9          H1'3      CPN   9 -13.024   3.924   2.583
  105    H5   CPN   9           H5       CPN   9 -11.892   2.023  -4.373
  106    H6   CPN   9           H6       CPN   9 -12.493   3.097  -2.270
  107   HN41  CPN   9          HN41      CPN   9 -12.179  -0.022  -5.713
  108   HN42  CPN   9          HN42      CPN   9 -13.178  -1.363  -5.140
  109    H1   ACE   1           H1       ACE   1 -20.509 -11.966  -3.124
  110    H2   ACE   1           H2       ACE   1 -20.712 -10.965  -4.578
  111    H3   ACE   1           H3       ACE   1 -20.283 -10.204  -3.029
  112   H8'1  GPN   2          H8'1      GPN   2 -17.505  -7.442  -2.226
  113   H8'2  GPN   2          H8'2      GPN   2 -17.291  -8.671  -3.469
  114   H5'1  GPN   2          H5'1      GPN   2 -14.474 -10.518  -0.481
  115   H5'2  GPN   2          H5'2      GPN   2 -15.864 -11.310   0.217
  116   H3'1  GPN   2          H3'1      GPN   2 -18.390  -9.226  -1.361
  117   H3'2  GPN   2          H3'2      GPN   2 -18.040 -10.019   0.165
  118   H2'1  GPN   2          H2'1      GPN   2 -19.089 -11.599  -1.307
  119   H2'2  GPN   2          H2'2      GPN   2 -17.435 -12.103  -1.025
  120   H1'3  GPN   2          H1'3      GPN   2 -16.824 -11.511  -3.258
  121    H8   GPN   2           H8       GPN   2 -15.407  -8.207  -5.355
  122    HN1  GPN   2           HN1      GPN   2 -14.699  -2.183  -3.157
  123   HN21  GPN   2          HN21      GPN   2 -16.735  -3.358  -0.545
  124   HN22  GPN   2          HN22      GPN   2 -15.787  -2.008  -1.127
  125   H8'1  GPN   3          H8'1      GPN   3 -14.595  -6.653  -0.180
  126   H8'2  GPN   3          H8'2      GPN   3 -14.812  -5.056   0.538
  127   H5'1  GPN   3          H5'1      GPN   3 -12.263  -7.120   3.741
  128   H5'2  GPN   3          H5'2      GPN   3 -13.770  -7.413   4.562
  129   H3'1  GPN   3          H3'1      GPN   3 -15.924  -5.879   2.011
  130   H3'2  GPN   3          H3'2      GPN   3 -15.704  -5.907   3.748
  131   H2'1  GPN   3          H2'1      GPN   3 -17.077  -7.740   3.207
  132   H2'2  GPN   3          H2'2      GPN   3 -15.515  -8.404   3.665
  133   H1'3  GPN   3          H1'3      GPN   3 -16.660  -8.262   0.901
  134    H8   GPN   3           H8       GPN   3 -12.883  -6.756  -2.200
  135    HN1  GPN   3           HN1      GPN   3 -10.949  -0.711  -1.064
  136   HN21  GPN   3          HN21      GPN   3 -12.880  -1.160   1.849
  137   HN22  GPN   3          HN22      GPN   3 -11.780  -0.064   1.017
  138   H8'1  CPN   4          H8'1      CPN   4 -11.131  -3.707   3.575
  139   H8'2  CPN   4          H8'2      CPN   4 -10.636  -2.059   3.935
  140   H5'1  CPN   4          H5'1      CPN   4  -7.907  -4.531   6.679
  141   H5'2  CPN   4          H5'2      CPN   4  -9.277  -4.807   7.716
  142   H3'1  CPN   4          H3'1      CPN   4 -11.611  -2.686   5.729
  143   H3'2  CPN   4          H3'2      CPN   4 -11.012  -2.647   7.372
  144   H2'1  CPN   4          H2'1      CPN   4 -12.863  -4.192   7.164
  145   H2'2  CPN   4          H2'2      CPN   4 -11.405  -5.037   7.654
  146   H1'3  CPN   4          H1'3      CPN   4 -11.416  -6.242   5.637
  147    H5   CPN   4           H5       CPN   4  -8.949  -4.818  -0.384
  148    H6   CPN   4           H6       CPN   4 -10.117  -4.953   1.760
  149   HN41  CPN   4          HN41      CPN   4  -7.594  -3.358  -1.812
  150   HN42  CPN   4          HN42      CPN   4  -7.153  -1.723  -1.316
  151   H8'1  APN   5          H8'1      APN   5  -7.214  -0.919   5.327
  152   H8'2  APN   5          H8'2      APN   5  -6.349   0.616   5.355
  153   H5'1  APN   5          H5'1      APN   5  -4.528  -1.862   8.806
  154   H5'2  APN   5          H5'2      APN   5  -5.825  -1.233   9.775
  155   H3'1  APN   5          H3'1      APN   5  -7.309   0.874   7.155
  156   H3'2  APN   5          H3'2      APN   5  -6.764   1.092   8.801
  157   H2'1  APN   5          H2'1      APN   5  -9.051   0.160   8.611
  158   H2'2  APN   5          H2'2      APN   5  -7.961  -0.813   9.581
  159   H1'3  APN   5          H1'3      APN   5  -8.935  -1.491   6.821
  160    H8   APN   5           H8       APN   5  -6.540  -2.595   3.385
  161   HN61  APN   5          HN61      APN   5  -3.373  -1.145  -0.203
  162   HN62  APN   5          HN62      APN   5  -2.191   0.171  -0.194
  163    H21  APN   5           H21      APN   5  -2.363   2.263   3.565
  164   H8'1  TPN   6          H8'1      TPN   6  -2.625   0.793   6.970
  165   H8'2  TPN   6          H8'2      TPN   6  -1.782   2.257   6.497
  166   H5'1  TPN   6          H5'1      TPN   6   0.062   0.791  10.498
  167   H5'2  TPN   6          H5'2      TPN   6  -0.884   2.078  11.202
  168   H3'1  TPN   6          H3'1      TPN   6  -2.433   3.232   8.140
  169   H3'2  TPN   6          H3'2      TPN   6  -1.753   3.807   9.642
  170   H2'1  TPN   6          H2'1      TPN   6  -4.046   3.268  10.007
  171   H2'2  TPN   6          H2'2      TPN   6  -3.059   2.133  10.911
  172   H1'3  TPN   6          H1'3      TPN   6  -4.663   1.545   8.451
  173    H6   TPN   6           H6       TPN   6  -2.160  -1.275   5.938
  174    HN3  TPN   6           HN3      TPN   6   0.734   1.145   2.936
  175   HM51  TPN   6          HM51      TPN   6  -2.182  -2.485   2.686
  176   HM52  TPN   6          HM52      TPN   6  -2.515  -2.958   4.357
  177   HM53  TPN   6          HM53      TPN   6  -0.958  -3.398   3.593
  178   H8'1  GPN   7          H8'1      GPN   7   1.972   1.591   6.915
  179   H8'2  GPN   7          H8'2      GPN   7   2.722   2.844   5.926
  180   H5'1  GPN   7          H5'1      GPN   7   5.768   2.437   9.350
  181   H5'2  GPN   7          H5'2      GPN   7   5.044   3.905   9.946
  182   H3'1  GPN   7          H3'1      GPN   7   2.693   4.372   7.156
  183   H3'2  GPN   7          H3'2      GPN   7   3.913   5.275   8.020
  184   H2'1  GPN   7          H2'1      GPN   7   1.904   5.447   9.252
  185   H2'2  GPN   7          H2'2      GPN   7   2.993   4.435  10.187
  186   H1'3  GPN   7          H1'3      GPN   7   0.762   3.319   8.495
  187    H8   GPN   7           H8       GPN   7   2.175  -0.878   5.922
  188    HN1  GPN   7           HN1      GPN   7   6.247   1.208   1.372
  189   HN21  GPN   7          HN21      GPN   7   5.952   4.208   3.187
  190   HN22  GPN   7          HN22      GPN   7   6.779   3.429   1.841
  191   H8'1  CPN   8          H8'1      CPN   8   7.007   1.502   6.721
  192   H8'2  CPN   8          H8'2      CPN   8   7.146   2.505   5.308
  193   H5'1  CPN   8          H5'1      CPN   8  10.448   3.820   8.135
  194   H5'2  CPN   8          H5'2      CPN   8  10.395   5.263   7.144
  195   H3'1  CPN   8          H3'1      CPN   8   8.095   4.120   4.718
  196   H3'2  CPN   8          H3'2      CPN   8   9.258   5.325   5.187
  197   H2'1  CPN   8          H2'1      CPN   8   6.964   6.010   5.755
  198   H2'2  CPN   8          H2'2      CPN   8   8.034   5.953   7.147
  199   H1'3  CPN   8          H1'3      CPN   8   5.815   4.011   6.562
  200    H5   CPN   8           H5       CPN   8   6.640  -2.512   4.631
  201    H6   CPN   8           H6       CPN   8   6.380  -0.551   6.073
  202   HN41  CPN   8          HN41      CPN   8   7.860  -3.407   2.729
  203   HN42  CPN   8          HN42      CPN   8   9.064  -2.465   1.851
  204   H8'1  CPN   9          H8'1      CPN   9  13.298  -0.731   3.260
  205   H8'2  CPN   9          H8'2      CPN   9  13.606   0.748   2.357
  206   H5'1  CPN   9          H5'1      CPN   9  15.572   2.263   6.300
  207   H5'2  CPN   9          H5'2      CPN   9  16.778   1.787   5.123
  208   H3'1  CPN   9          H3'1      CPN   9  13.497   1.224   6.354
  209   H3'2  CPN   9          H3'2      CPN   9  12.814   0.485   4.913
  210   H2'1  CPN   9          H2'1      CPN   9  13.027   2.580   3.666
  211   H2'2  CPN   9          H2'2      CPN   9  13.955   3.309   4.977
  212   H1'3  CPN   9          H1'3      CPN   9  11.022   2.766   5.000
  213    H5   CPN   9           H5       CPN   9  14.356  -4.077   0.310
  214    H6   CPN   9           H6       CPN   9  13.566  -2.780   2.218
  215   HN41  CPN   9          HN41      CPN   9  15.692  -3.966  -1.751
  216   HN42  CPN   9          HN42      CPN   9  16.459  -2.461  -2.271
  217    HN2  NME  10           HN2      NME  10 -19.974   3.383   0.664
  218    H1   NME  10           H1       NME  10 -20.647   1.007  -0.749
  219    H2   NME  10           H2       NME  10 -21.786   2.056   0.120
  220    H3   NME  10           H3       NME  10 -20.967   0.733   0.978
  221    HN2  NME  10           HN2      NME  10  15.750  -1.166   5.755
  222    H1   NME  10           H1       NME  10  17.880  -1.916   7.494
  223    H2   NME  10           H2       NME  10  16.507  -2.939   7.030
  224    H3   NME  10           H3       NME  10  16.374  -1.861   8.436
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1  19.121  -1.049  -9.596
    2    H2   ACE   1           H2       ACE   1  19.723   0.222 -10.684
    3    H3   ACE   1           H3       ACE   1  20.728  -1.206 -10.341
    4   H8'1  GPN   2          H8'1      GPN   2  17.846  -0.106  -6.078
    5   H8'2  GPN   2          H8'2      GPN   2  17.487   1.115  -4.859
    6   H5'1  GPN   2          H5'1      GPN   2  14.802   1.942  -8.581
    7   H5'2  GPN   2          H5'2      GPN   2  16.172   2.800  -9.244
    8   H3'1  GPN   2          H3'1      GPN   2  17.958   3.509  -7.578
    9   H3'2  GPN   2          H3'2      GPN   2  18.419   2.247  -6.445
   10   H2'1  GPN   2          H2'1      GPN   2  18.687   2.371  -9.373
   11   H2'2  GPN   2          H2'2      GPN   2  17.953   0.852  -8.839
   12   H1'3  GPN   2          H1'3      GPN   2  20.377   1.640  -7.349
   13    H8   GPN   2           H8       GPN   2  16.397  -2.409  -5.976
   14    HN1  GPN   2           HN1      GPN   2  14.333  -0.764  -0.089
   15   HN21  GPN   2          HN21      GPN   2  15.625   2.376  -0.998
   16   HN22  GPN   2          HN22      GPN   2  14.760   1.491   0.236
   17   H8'1  GPN   3          H8'1      GPN   3  14.323   2.680  -4.728
   18   H8'2  GPN   3          H8'2      GPN   3  13.790   3.622  -3.335
   19   H5'1  GPN   3          H5'1      GPN   3  11.043   5.148  -6.695
   20   H5'2  GPN   3          H5'2      GPN   3  12.326   6.250  -7.096
   21   H3'1  GPN   3          H3'1      GPN   3  14.525   5.267  -4.261
   22   H3'2  GPN   3          H3'2      GPN   3  13.752   6.757  -4.749
   23   H2'1  GPN   3          H2'1      GPN   3  15.812   6.429  -5.958
   24   H2'2  GPN   3          H2'2      GPN   3  14.451   6.430  -7.068
   25   H1'3  GPN   3          H1'3      GPN   3  16.071   4.051  -6.236
   26    H8   GPN   3           H8       GPN   3  12.941   0.301  -5.120
   27    HN1  GPN   3           HN1      GPN   3  10.581   0.866   0.842
   28   HN21  GPN   3          HN21      GPN   3  11.832   4.143   0.510
   29   HN22  GPN   3          HN22      GPN   3  10.919   3.061   1.557
   30   H8'1  CPN   4          H8'1      CPN   4   9.530   5.197  -1.081
   31   H8'2  CPN   4          H8'2      CPN   4  10.226   4.796  -2.645
   32   H5'1  CPN   4          H5'1      CPN   4   6.893   7.393  -4.170
   33   H5'2  CPN   4          H5'2      CPN   4   8.123   8.617  -4.222
   34   H3'1  CPN   4          H3'1      CPN   4  10.252   7.089  -1.592
   35   H3'2  CPN   4          H3'2      CPN   4   9.414   8.620  -1.725
   36   H2'1  CPN   4          H2'1      CPN   4  11.531   8.669  -2.905
   37   H2'2  CPN   4          H2'2      CPN   4  10.196   8.929  -4.012
   38   H1'3  CPN   4          H1'3      CPN   4  11.754   6.368  -3.746
   39    H5   CPN   4           H5       CPN   4   8.725   0.492  -3.572
   40    H6   CPN   4           H6       CPN   4   9.545   2.769  -3.829
   41   HN41  CPN   4          HN41      CPN   4   7.531  -1.022  -2.079
   42   HN42  CPN   4          HN42      CPN   4   6.882  -0.487  -0.531
   43   H8'1  APN   5          H8'1      APN   5   5.743   6.231  -0.405
   44   H8'2  APN   5          H8'2      APN   5   4.671   6.225   0.993
   45   H5'1  APN   5          H5'1      APN   5   2.727   9.003  -2.171
   46   H5'2  APN   5          H5'2      APN   5   3.654  10.278  -1.439
   47   H3'1  APN   5          H3'1      APN   5   5.296   8.206   1.091
   48   H3'2  APN   5          H3'2      APN   5   4.440   9.730   1.033
   49   H2'1  APN   5          H2'1      APN   5   6.818   9.913   0.402
   50   H2'2  APN   5          H2'2      APN   5   5.722  10.511  -0.829
   51   H1'3  APN   5          H1'3      APN   5   7.281   7.945  -0.970
   52    H8   APN   5           H8       APN   5   5.599   4.106  -2.022
   53   HN61  APN   5          HN61      APN   5   3.091   0.044  -0.545
   54   HN62  APN   5          HN62      APN   5   1.822  -0.113   0.678
   55    H21  APN   5           H21      APN   5   1.071   3.716   2.498
   56   H8'1  TPN   6          H8'1      TPN   6   0.697   7.029   0.899
   57   H8'2  TPN   6          H8'2      TPN   6  -0.351   6.558   2.226
   58   H5'1  TPN   6          H5'1      TPN   6  -2.475   9.855  -0.308
   59   H5'2  TPN   6          H5'2      TPN   6  -1.949  10.943   0.956
   60   H3'1  TPN   6          H3'1      TPN   6   0.052   8.544   2.785
   61   H3'2  TPN   6          H3'2      TPN   6  -0.992   9.929   3.013
   62   H2'1  TPN   6          H2'1      TPN   6   1.211  10.716   2.604
   63   H2'2  TPN   6          H2'2      TPN   6   0.213  11.158   1.232
   64   H1'3  TPN   6          H1'3      TPN   6   2.376   9.090   1.282
   65    H6   TPN   6           H6       TPN   6   0.721   5.825  -1.177
   66    HN3  TPN   6           HN3      TPN   6  -1.695   2.367   1.157
   67   HM51  TPN   6          HM51      TPN   6   1.549   4.295  -2.733
   68   HM52  TPN   6          HM52      TPN   6   0.226   3.207  -3.250
   69   HM53  TPN   6          HM53      TPN   6   1.531   2.607  -2.200
   70   H8'1  GPN   7          H8'1      GPN   7  -3.852   6.052   1.369
   71   H8'2  GPN   7          H8'2      GPN   7  -4.780   5.087   2.516
   72   H5'1  GPN   7          H5'1      GPN   7  -7.920   8.011   0.832
   73   H5'2  GPN   7          H5'2      GPN   7  -7.531   9.025   2.187
   74   H3'1  GPN   7          H3'1      GPN   7  -4.975   6.778   3.628
   75   H3'2  GPN   7          H3'2      GPN   7  -6.449   7.534   4.189
   76   H2'1  GPN   7          H2'1      GPN   7  -4.706   9.119   4.373
   77   H2'2  GPN   7          H2'2      GPN   7  -5.770   9.671   3.094
   78   H1'3  GPN   7          H1'3      GPN   7  -3.076   8.393   2.694
   79    H8   GPN   7           H8       GPN   7  -3.531   4.973  -1.106
   80    HN1  GPN   7           HN1      GPN   7  -6.669  -0.332   0.800
   81   HN21  GPN   7          HN21      GPN   7  -7.218   1.602   3.688
   82   HN22  GPN   7          HN22      GPN   7  -7.591   0.074   2.896
   83   H8'1  CPN   8          H8'1      CPN   8  -8.425   4.188   1.487
   84   H8'2  CPN   8          H8'2      CPN   8  -9.251   2.789   2.166
   85   H5'1  CPN   8          H5'1      CPN   8 -12.587   5.950   1.694
   86   H5'2  CPN   8          H5'2      CPN   8 -12.478   6.050   3.431
   87   H3'1  CPN   8          H3'1      CPN   8  -9.701   3.769   3.855
   88   H3'2  CPN   8          H3'2      CPN   8 -11.212   4.237   4.600
   89   H2'1  CPN   8          H2'1      CPN   8  -9.396   5.688   5.308
   90   H2'2  CPN   8          H2'2      CPN   8 -10.632   6.598   4.455
   91   H1'3  CPN   8          H1'3      CPN   8  -7.909   5.902   3.410
   92    H5   CPN   8           H5       CPN   8  -7.478   2.875  -2.847
   93    H6   CPN   8           H6       CPN   8  -7.807   4.193  -0.821
   94   HN41  CPN   8          HN41      CPN   8  -8.027   0.754  -3.939
   95   HN42  CPN   8          HN42      CPN   8  -9.086  -0.435  -3.173
   96   H8'1  CPN   9          H8'1      CPN   9 -13.150   3.396  -0.173
   97   H8'2  CPN   9          H8'2      CPN   9 -12.964   1.856   0.623
   98   H5'1  CPN   9          H5'1      CPN   9 -17.351   3.027   1.123
   99   H5'2  CPN   9          H5'2      CPN   9 -17.262   1.877   2.442
  100   H3'1  CPN   9          H3'1      CPN   9 -13.969   0.691   1.858
  101   H3'2  CPN   9          H3'2      CPN   9 -15.513   0.411   2.618
  102   H2'1  CPN   9          H2'1      CPN   9 -14.167   1.527   4.218
  103   H2'2  CPN   9          H2'2      CPN   9 -15.418   2.650   3.702
  104   H1'3  CPN   9          H1'3      CPN   9 -12.499   2.827   3.152
  105    H5   CPN   9           H5       CPN   9 -11.383   2.401  -4.255
  106    H6   CPN   9           H6       CPN   9 -12.028   3.451  -2.153
  107   HN41  CPN   9          HN41      CPN   9 -11.580   0.371  -5.589
  108   HN42  CPN   9          HN42      CPN   9 -12.448  -1.051  -5.009
  109    H1   ACE   1           H1       ACE   1 -20.386 -12.000  -2.834
  110    H2   ACE   1           H2       ACE   1 -20.336 -13.402  -3.924
  111    H3   ACE   1           H3       ACE   1 -19.568 -11.872  -4.408
  112   H8'1  GPN   2          H8'1      GPN   2 -16.587  -7.249  -2.495
  113   H8'2  GPN   2          H8'2      GPN   2 -16.631  -8.268  -3.931
  114   H5'1  GPN   2          H5'1      GPN   2 -13.771 -10.888  -1.739
  115   H5'2  GPN   2          H5'2      GPN   2 -15.184 -11.715  -1.135
  116   H3'1  GPN   2          H3'1      GPN   2 -17.406  -8.844  -1.355
  117   H3'2  GPN   2          H3'2      GPN   2 -17.124 -10.363  -0.529
  118   H2'1  GPN   2          H2'1      GPN   2 -17.446 -10.246  -3.551
  119   H2'2  GPN   2          H2'2      GPN   2 -18.819 -10.311  -2.440
  120   H1'3  GPN   2          H1'3      GPN   2 -16.775 -12.416  -2.053
  121    H8   GPN   2           H8       GPN   2 -14.744  -7.750  -5.855
  122    HN1  GPN   2           HN1      GPN   2 -13.813  -1.973  -3.140
  123   HN21  GPN   2          HN21      GPN   2 -15.523  -3.459  -0.451
  124   HN22  GPN   2          HN22      GPN   2 -14.681  -2.024  -0.989
  125   H8'1  GPN   3          H8'1      GPN   3 -13.726  -7.030  -0.384
  126   H8'2  GPN   3          H8'2      GPN   3 -13.586  -5.707   0.777
  127   H5'1  GPN   3          H5'1      GPN   3 -10.698  -8.900   2.426
  128   H5'2  GPN   3          H5'2      GPN   3 -12.084  -9.586   3.222
  129   H3'1  GPN   3          H3'1      GPN   3 -14.454  -6.944   2.138
  130   H3'2  GPN   3          H3'2      GPN   3 -13.903  -7.570   3.675
  131   H2'1  GPN   3          H2'1      GPN   3 -15.659  -8.958   2.802
  132   H2'2  GPN   3          H2'2      GPN   3 -14.168  -9.878   2.888
  133   H1'3  GPN   3          H1'3      GPN   3 -15.469  -8.836   0.393
  134    H8   GPN   3           H8       GPN   3 -11.979  -6.930  -2.504
  135    HN1  GPN   3           HN1      GPN   3 -10.517  -0.870  -0.872
  136   HN21  GPN   3          HN21      GPN   3 -12.283  -1.737   2.050
  137   HN22  GPN   3          HN22      GPN   3 -11.343  -0.469   1.271
  138   H8'1  CPN   4          H8'1      CPN   4 -10.341  -4.682   2.641
  139   H8'2  CPN   4          H8'2      CPN   4  -9.944  -3.115   3.332
  140   H5'1  CPN   4          H5'1      CPN   4  -7.328  -6.091   5.686
  141   H5'2  CPN   4          H5'2      CPN   4  -8.743  -6.502   6.603
  142   H3'1  CPN   4          H3'1      CPN   4 -10.951  -4.003   4.951
  143   H3'2  CPN   4          H3'2      CPN   4 -10.395  -4.201   6.597
  144   H2'1  CPN   4          H2'1      CPN   4 -12.269  -5.657   6.138
  145   H2'2  CPN   4          H2'2      CPN   4 -10.844  -6.600   6.525
  146   H1'3  CPN   4          H1'3      CPN   4 -11.930  -6.205   3.742
  147    H5   CPN   4           H5       CPN   4  -8.011  -4.875  -1.373
  148    H6   CPN   4           H6       CPN   4  -9.174  -5.510   0.669
  149   HN41  CPN   4          HN41      CPN   4  -6.786  -3.078  -2.470
  150   HN42  CPN   4          HN42      CPN   4  -6.446  -1.547  -1.663
  151   H8'1  APN   5          H8'1      APN   5  -6.554  -2.304   5.046
  152   H8'2  APN   5          H8'2      APN   5  -5.979  -0.651   5.252
  153   H5'1  APN   5          H5'1      APN   5  -3.640  -2.895   8.519
  154   H5'2  APN   5          H5'2      APN   5  -4.954  -2.469   9.585
  155   H3'1  APN   5          H3'1      APN   5  -7.025  -0.830   7.050
  156   H3'2  APN   5          H3'2      APN   5  -6.504  -0.663   8.715
  157   H2'1  APN   5          H2'1      APN   5  -8.475  -2.024   8.642
  158   H2'2  APN   5          H2'2      APN   5  -7.113  -2.997   9.183
  159   H1'3  APN   5          H1'3      APN   5  -8.233  -3.093   6.382
  160    H8   APN   5           H8       APN   5  -5.676  -3.566   2.926
  161   HN61  APN   5          HN61      APN   5  -2.826  -1.233  -0.434
  162   HN62  APN   5          HN62      APN   5  -1.805   0.198  -0.251
  163    H21  APN   5           H21      APN   5  -2.113   1.691   3.784
  164   H8'1  TPN   6          H8'1      TPN   6  -1.698  -0.308   7.230
  165   H8'2  TPN   6          H8'2      TPN   6  -0.928   1.258   7.018
  166   H5'1  TPN   6          H5'1      TPN   6   1.690  -1.252   9.956
  167   H5'2  TPN   6          H5'2      TPN   6   0.853  -0.392  11.226
  168   H3'1  TPN   6          H3'1      TPN   6  -1.465   1.393   9.057
  169   H3'2  TPN   6          H3'2      TPN   6  -0.471   1.671  10.468
  170   H2'1  TPN   6          H2'1      TPN   6  -2.580   0.714  11.122
  171   H2'2  TPN   6          H2'2      TPN   6  -1.279  -0.400  11.516
  172   H1'3  TPN   6          H1'3      TPN   6  -2.246  -1.977  10.118
  173    H6   TPN   6           H6       TPN   6  -1.402  -2.076   5.656
  174    HN3  TPN   6           HN3      TPN   6   1.063   1.017   2.902
  175   HM51  TPN   6          HM51      TPN   6  -0.146  -3.714   3.006
  176   HM52  TPN   6          HM52      TPN   6  -1.491  -2.833   2.253
  177   HM53  TPN   6          HM53      TPN   6  -1.708  -3.541   3.862
  178   H8'1  GPN   7          H8'1      GPN   7   2.726   1.186   6.815
  179   H8'2  GPN   7          H8'2      GPN   7   3.544   2.571   6.093
  180   H5'1  GPN   7          H5'1      GPN   7   6.603   1.075   9.198
  181   H5'2  GPN   7          H5'2      GPN   7   5.846   2.186  10.298
  182   H3'1  GPN   7          H3'1      GPN   7   3.435   3.557   7.843
  183   H3'2  GPN   7          H3'2      GPN   7   4.693   4.225   8.857
  184   H2'1  GPN   7          H2'1      GPN   7   2.680   3.950  10.127
  185   H2'2  GPN   7          H2'2      GPN   7   3.917   2.887  10.771
  186   H1'3  GPN   7          H1'3      GPN   7   1.492   2.082   9.221
  187    H8   GPN   7           H8       GPN   7   2.900  -1.138   5.415
  188    HN1  GPN   7           HN1      GPN   7   6.485   1.815   0.934
  189   HN21  GPN   7          HN21      GPN   7   6.217   4.509   3.182
  190   HN22  GPN   7          HN22      GPN   7   6.945   3.977   1.670
  191   H8'1  CPN   8          H8'1      CPN   8   7.469   2.198   5.754
  192   H8'2  CPN   8          H8'2      CPN   8   8.268   3.181   4.531
  193   H5'1  CPN   8          H5'1      CPN   8  11.334   2.951   7.985
  194   H5'2  CPN   8          H5'2      CPN   8  10.932   4.637   8.189
  195   H3'1  CPN   8          H3'1      CPN   8   8.372   4.830   5.652
  196   H3'2  CPN   8          H3'2      CPN   8   9.665   5.746   6.396
  197   H2'1  CPN   8          H2'1      CPN   8   7.611   5.988   7.657
  198   H2'2  CPN   8          H2'2      CPN   8   8.846   5.203   8.632
  199   H1'3  CPN   8          H1'3      CPN   8   6.440   3.873   7.425
  200    H5   CPN   8           H5       CPN   8   7.435  -2.010   3.840
  201    H6   CPN   8           H6       CPN   8   7.228  -0.137   5.390
  202   HN41  CPN   8          HN41      CPN   8   8.448  -2.729   1.728
  203   HN42  CPN   8          HN42      CPN   8   9.513  -1.664   0.805
  204   H8'1  CPN   9          H8'1      CPN   9  12.518   1.205   5.474
  205   H8'2  CPN   9          H8'2      CPN   9  12.298   2.201   4.062
  206   H5'1  CPN   9          H5'1      CPN   9  16.357   3.405   5.708
  207   H5'2  CPN   9          H5'2      CPN   9  16.177   4.726   4.570
  208   H3'1  CPN   9          H3'1      CPN   9  13.212   3.596   2.975
  209   H3'2  CPN   9          H3'2      CPN   9  14.617   4.625   2.878
  210   H2'1  CPN   9          H2'1      CPN   9  12.880   5.925   3.847
  211   H2'2  CPN   9          H2'2      CPN   9  14.080   5.617   5.097
  212   H1'3  CPN   9          H1'3      CPN   9  11.311   4.541   4.952
  213    H5   CPN   9           H5       CPN   9  11.572  -2.866   3.688
  214    H6   CPN   9           H6       CPN   9  11.694  -0.868   5.074
  215   HN41  CPN   9          HN41      CPN   9  12.281  -3.849   1.574
  216   HN42  CPN   9          HN42      CPN   9  13.224  -2.942   0.389
  217    HN2  NME  10           HN2      NME  10 -16.287   0.170  -0.276
  218    H1   NME  10           H1       NME  10 -17.346  -1.205  -1.836
  219    H2   NME  10           H2       NME  10 -18.880  -0.385  -1.505
  220    H3   NME  10           H3       NME  10 -18.326  -1.685  -0.431
  221    HN2  NME  10           HN2      NME  10  15.958   1.974   2.684
  222    H1   NME  10           H1       NME  10  18.557   0.895   2.533
  223    H2   NME  10           H2       NME  10  18.533   2.292   1.439
  224    H3   NME  10           H3       NME  10  17.405   0.942   1.187
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1  21.116  -0.840 -11.044
    2    H2   ACE   1           H2       ACE   1  19.473  -0.181 -11.235
    3    H3   ACE   1           H3       ACE   1  19.890  -1.127  -9.788
    4   H8'1  GPN   2          H8'1      GPN   2  17.646  -0.495  -6.695
    5   H8'2  GPN   2          H8'2      GPN   2  17.594   0.780  -5.480
    6   H5'1  GPN   2          H5'1      GPN   2  14.462   1.737  -8.809
    7   H5'2  GPN   2          H5'2      GPN   2  15.757   2.626  -9.574
    8   H3'1  GPN   2          H3'1      GPN   2  17.712   3.182  -8.288
    9   H3'2  GPN   2          H3'2      GPN   2  18.243   2.091  -7.014
   10   H2'1  GPN   2          H2'1      GPN   2  17.828   1.420  -9.957
   11   H2'2  GPN   2          H2'2      GPN   2  18.196   0.208  -8.717
   12   H1'3  GPN   2          H1'3      GPN   2  20.108   2.402  -8.672
   13    H8   GPN   2           H8       GPN   2  16.213  -2.719  -6.219
   14    HN1  GPN   2           HN1      GPN   2  14.818  -0.547  -0.309
   15   HN21  GPN   2          HN21      GPN   2  16.156   2.448  -1.581
   16   HN22  GPN   2          HN22      GPN   2  15.346   1.709  -0.217
   17   H8'1  GPN   3          H8'1      GPN   3  14.358   2.437  -4.805
   18   H8'2  GPN   3          H8'2      GPN   3  14.015   3.411  -3.374
   19   H5'1  GPN   3          H5'1      GPN   3  11.059   5.003  -6.538
   20   H5'2  GPN   3          H5'2      GPN   3  12.307   6.141  -6.938
   21   H3'1  GPN   3          H3'1      GPN   3  14.682   5.047  -4.334
   22   H3'2  GPN   3          H3'2      GPN   3  13.921   6.557  -4.781
   23   H2'1  GPN   3          H2'1      GPN   3  15.875   6.100  -6.152
   24   H2'2  GPN   3          H2'2      GPN   3  14.426   6.198  -7.134
   25   H1'3  GPN   3          H1'3      GPN   3  15.991   3.728  -6.503
   26    H8   GPN   3           H8       GPN   3  13.021   0.059  -4.960
   27    HN1  GPN   3           HN1      GPN   3  10.719   0.996   0.982
   28   HN21  GPN   3          HN21      GPN   3  12.121   4.198   0.500
   29   HN22  GPN   3          HN22      GPN   3  11.141   3.218   1.581
   30   H8'1  CPN   4          H8'1      CPN   4   9.624   5.081  -0.902
   31   H8'2  CPN   4          H8'2      CPN   4  10.288   4.713  -2.488
   32   H5'1  CPN   4          H5'1      CPN   4   6.972   7.348  -3.936
   33   H5'2  CPN   4          H5'2      CPN   4   8.191   8.584  -3.938
   34   H3'1  CPN   4          H3'1      CPN   4  10.333   6.983  -1.377
   35   H3'2  CPN   4          H3'2      CPN   4   9.532   8.530  -1.534
   36   H2'1  CPN   4          H2'1      CPN   4  11.642   8.525  -2.713
   37   H2'2  CPN   4          H2'2      CPN   4  10.312   8.790  -3.820
   38   H1'3  CPN   4          H1'3      CPN   4  11.916   6.257  -3.574
   39    H5   CPN   4           H5       CPN   4   8.810   0.418  -3.451
   40    H6   CPN   4           H6       CPN   4   9.625   2.699  -3.677
   41   HN41  CPN   4          HN41      CPN   4   7.612  -1.115  -1.984
   42   HN42  CPN   4          HN42      CPN   4   6.954  -0.601  -0.430
   43   H8'1  APN   5          H8'1      APN   5   5.776   6.142  -0.103
   44   H8'2  APN   5          H8'2      APN   5   4.684   6.118   1.280
   45   H5'1  APN   5          H5'1      APN   5   2.763   8.968  -1.826
   46   H5'2  APN   5          H5'2      APN   5   3.730  10.221  -1.106
   47   H3'1  APN   5          H3'1      APN   5   5.382   8.093   1.376
   48   H3'2  APN   5          H3'2      APN   5   4.549   9.629   1.347
   49   H2'1  APN   5          H2'1      APN   5   6.916   9.796   0.695
   50   H2'2  APN   5          H2'2      APN   5   5.818  10.411  -0.525
   51   H1'3  APN   5          H1'3      APN   5   7.390   7.858  -0.698
   52    H8   APN   5           H8       APN   5   5.659   4.046  -1.745
   53   HN61  APN   5          HN61      APN   5   3.114  -0.025  -0.390
   54   HN62  APN   5          HN62      APN   5   1.815  -0.202   0.798
   55    H21  APN   5           H21      APN   5   1.015   3.603   2.657
   56   H8'1  TPN   6          H8'1      TPN   6   0.737   6.889   1.148
   57   H8'2  TPN   6          H8'2      TPN   6  -0.405   6.443   2.404
   58   H5'1  TPN   6          H5'1      TPN   6  -2.182   9.884  -0.193
   59   H5'2  TPN   6          H5'2      TPN   6  -1.676  10.927   1.114
   60   H3'1  TPN   6          H3'1      TPN   6   0.012   8.371   3.055
   61   H3'2  TPN   6          H3'2      TPN   6  -0.997   9.785   3.263
   62   H2'1  TPN   6          H2'1      TPN   6   1.315  10.430   3.058
   63   H2'2  TPN   6          H2'2      TPN   6   0.391  11.075   1.714
   64   H1'3  TPN   6          H1'3      TPN   6   2.441   8.905   1.601
   65    H6   TPN   6           H6       TPN   6   0.756   5.753  -0.994
   66    HN3  TPN   6           HN3      TPN   6  -1.744   2.294   1.247
   67   HM51  TPN   6          HM51      TPN   6   1.567   2.536  -2.029
   68   HM52  TPN   6          HM52      TPN   6   1.617   4.230  -2.540
   69   HM53  TPN   6          HM53      TPN   6   0.299   3.159  -3.108
   70   H8'1  GPN   7          H8'1      GPN   7  -3.887   6.103   1.296
   71   H8'2  GPN   7          H8'2      GPN   7  -4.796   5.152   2.472
   72   H5'1  GPN   7          H5'1      GPN   7  -8.018   7.928   0.697
   73   H5'2  GPN   7          H5'2      GPN   7  -7.667   8.995   2.023
   74   H3'1  GPN   7          H3'1      GPN   7  -5.043   6.886   3.539
   75   H3'2  GPN   7          H3'2      GPN   7  -6.529   7.660   4.052
   76   H2'1  GPN   7          H2'1      GPN   7  -4.888   9.323   4.142
   77   H2'2  GPN   7          H2'2      GPN   7  -5.856   9.714   2.731
   78   H1'3  GPN   7          H1'3      GPN   7  -3.210   8.287   2.537
   79    H8   GPN   7           H8       GPN   7  -3.509   4.960  -1.127
   80    HN1  GPN   7           HN1      GPN   7  -6.706  -0.298   0.812
   81   HN21  GPN   7          HN21      GPN   7  -7.240   1.665   3.682
   82   HN22  GPN   7          HN22      GPN   7  -7.632   0.137   2.902
   83   H8'1  CPN   8          H8'1      CPN   8  -8.448   4.213   1.359
   84   H8'2  CPN   8          H8'2      CPN   8  -9.220   2.798   2.069
   85   H5'1  CPN   8          H5'1      CPN   8 -12.602   5.934   1.657
   86   H5'2  CPN   8          H5'2      CPN   8 -12.544   5.919   3.403
   87   H3'1  CPN   8          H3'1      CPN   8  -9.722   3.713   3.766
   88   H3'2  CPN   8          H3'2      CPN   8 -11.234   4.177   4.517
   89   H2'1  CPN   8          H2'1      CPN   8  -9.405   5.630   5.216
   90   H2'2  CPN   8          H2'2      CPN   8 -10.660   6.535   4.383
   91   H1'3  CPN   8          H1'3      CPN   8  -7.939   5.881   3.311
   92    H5   CPN   8           H5       CPN   8  -7.461   2.798  -2.928
   93    H6   CPN   8           H6       CPN   8  -7.774   4.139  -0.914
   94   HN41  CPN   8          HN41      CPN   8  -8.059   0.684  -4.008
   95   HN42  CPN   8          HN42      CPN   8  -9.155  -0.471  -3.242
   96   H8'1  CPN   9          H8'1      CPN   9 -13.167   3.494  -0.628
   97   H8'2  CPN   9          H8'2      CPN   9 -12.938   2.032   0.293
   98   H5'1  CPN   9          H5'1      CPN   9 -17.324   3.059   0.863
   99   H5'2  CPN   9          H5'2      CPN   9 -17.231   1.807   2.086
  100   H3'1  CPN   9          H3'1      CPN   9 -13.927   0.694   1.390
  101   H3'2  CPN   9          H3'2      CPN   9 -15.469   0.312   2.115
  102   H2'1  CPN   9          H2'1      CPN   9 -14.155   1.312   3.815
  103   H2'2  CPN   9          H2'2      CPN   9 -15.418   2.459   3.389
  104   H1'3  CPN   9          H1'3      CPN   9 -12.500   2.725   2.893
  105    H5   CPN   9           H5       CPN   9 -11.327   2.211  -4.582
  106    H6   CPN   9           H6       CPN   9 -11.940   3.374  -2.531
  107   HN41  CPN   9          HN41      CPN   9 -11.625   0.145  -5.844
  108   HN42  CPN   9          HN42      CPN   9 -12.574  -1.204  -5.216
  109    H1   ACE   1           H1       ACE   1 -19.394 -10.880  -5.074
  110    H2   ACE   1           H2       ACE   1 -20.602 -12.184  -5.122
  111    H3   ACE   1           H3       ACE   1 -18.960 -12.515  -4.521
  112   H8'1  GPN   2          H8'1      GPN   2 -16.848  -7.177  -2.359
  113   H8'2  GPN   2          H8'2      GPN   2 -16.967  -8.241  -3.758
  114   H5'1  GPN   2          H5'1      GPN   2 -14.010 -10.847  -1.731
  115   H5'2  GPN   2          H5'2      GPN   2 -15.405 -11.674  -1.074
  116   H3'1  GPN   2          H3'1      GPN   2 -17.737  -8.936  -1.401
  117   H3'2  GPN   2          H3'2      GPN   2 -17.349 -10.386  -0.482
  118   H2'1  GPN   2          H2'1      GPN   2 -17.345 -11.742  -2.525
  119   H2'2  GPN   2          H2'2      GPN   2 -17.666 -10.302  -3.508
  120   H1'3  GPN   2          H1'3      GPN   2 -19.637 -10.710  -1.375
  121    H8   GPN   2           H8       GPN   2 -15.206  -7.794  -5.802
  122    HN1  GPN   2           HN1      GPN   2 -13.966  -1.990  -3.277
  123   HN21  GPN   2          HN21      GPN   2 -15.575  -3.364  -0.468
  124   HN22  GPN   2          HN22      GPN   2 -14.729  -1.964  -1.087
  125   H8'1  GPN   3          H8'1      GPN   3 -13.914  -6.961  -0.380
  126   H8'2  GPN   3          H8'2      GPN   3 -13.761  -5.623   0.759
  127   H5'1  GPN   3          H5'1      GPN   3 -10.831  -8.749   2.443
  128   H5'2  GPN   3          H5'2      GPN   3 -12.198  -9.452   3.254
  129   H3'1  GPN   3          H3'1      GPN   3 -14.639  -6.898   2.105
  130   H3'2  GPN   3          H3'2      GPN   3 -14.073  -7.462   3.660
  131   H2'1  GPN   3          H2'1      GPN   3 -15.772  -8.936   2.869
  132   H2'2  GPN   3          H2'2      GPN   3 -14.251  -9.810   2.908
  133   H1'3  GPN   3          H1'3      GPN   3 -15.671  -8.824   0.457
  134    H8   GPN   3           H8       GPN   3 -12.212  -6.884  -2.535
  135    HN1  GPN   3           HN1      GPN   3 -10.618  -0.846  -0.951
  136   HN21  GPN   3          HN21      GPN   3 -12.377  -1.664   1.989
  137   HN22  GPN   3          HN22      GPN   3 -11.421  -0.416   1.196
  138   H8'1  CPN   4          H8'1      CPN   4 -10.531  -4.526   2.633
  139   H8'2  CPN   4          H8'2      CPN   4 -10.078  -2.979   3.335
  140   H5'1  CPN   4          H5'1      CPN   4  -7.582  -6.075   5.666
  141   H5'2  CPN   4          H5'2      CPN   4  -9.020  -6.445   6.567
  142   H3'1  CPN   4          H3'1      CPN   4 -11.115  -3.835   4.943
  143   H3'2  CPN   4          H3'2      CPN   4 -10.571  -4.060   6.590
  144   H2'1  CPN   4          H2'1      CPN   4 -12.514  -5.434   6.084
  145   H2'2  CPN   4          H2'2      CPN   4 -11.137  -6.420   6.536
  146   H1'3  CPN   4          H1'3      CPN   4 -12.192  -6.076   3.740
  147    H5   CPN   4           H5       CPN   4  -8.199  -4.784  -1.376
  148    H6   CPN   4           H6       CPN   4  -9.382  -5.389   0.663
  149   HN41  CPN   4          HN41      CPN   4  -6.922  -3.021  -2.469
  150   HN42  CPN   4          HN42      CPN   4  -6.537  -1.504  -1.659
  151   H8'1  APN   5          H8'1      APN   5  -6.685  -2.351   5.067
  152   H8'2  APN   5          H8'2      APN   5  -6.120  -0.694   5.271
  153   H5'1  APN   5          H5'1      APN   5  -3.749  -2.900   8.538
  154   H5'2  APN   5          H5'2      APN   5  -5.065  -2.489   9.608
  155   H3'1  APN   5          H3'1      APN   5  -7.148  -0.844   7.082
  156   H3'2  APN   5          H3'2      APN   5  -6.622  -0.683   8.746
  157   H2'1  APN   5          H2'1      APN   5  -8.579  -2.046   8.705
  158   H2'2  APN   5          H2'2      APN   5  -7.210  -3.039   9.190
  159   H1'3  APN   5          H1'3      APN   5  -8.357  -3.058   6.399
  160    H8   APN   5           H8       APN   5  -5.849  -3.575   2.912
  161   HN61  APN   5          HN61      APN   5  -2.896  -1.271  -0.387
  162   HN62  APN   5          HN62      APN   5  -1.850   0.138  -0.173
  163    H21  APN   5           H21      APN   5  -2.184   1.598   3.866
  164   H8'1  TPN   6          H8'1      TPN   6  -1.838  -0.542   7.262
  165   H8'2  TPN   6          H8'2      TPN   6  -1.184   1.076   7.025
  166   H5'1  TPN   6          H5'1      TPN   6   1.690  -1.043  10.002
  167   H5'2  TPN   6          H5'2      TPN   6   0.803  -0.184  11.237
  168   H3'1  TPN   6          H3'1      TPN   6  -1.631   1.371   9.024
  169   H3'2  TPN   6          H3'2      TPN   6  -0.647   1.720  10.427
  170   H2'1  TPN   6          H2'1      TPN   6  -2.695   0.716  11.146
  171   H2'2  TPN   6          H2'2      TPN   6  -1.368  -0.381  11.507
  172   H1'3  TPN   6          H1'3      TPN   6  -2.367  -1.973  10.149
  173    H6   TPN   6           H6       TPN   6  -1.549  -2.228   5.644
  174    HN3  TPN   6           HN3      TPN   6   0.988   0.895   2.996
  175   HM51  TPN   6          HM51      TPN   6  -1.456  -2.934   2.157
  176   HM52  TPN   6          HM52      TPN   6  -1.993  -3.527   3.735
  177   HM53  TPN   6          HM53      TPN   6  -0.330  -3.897   3.151
  178   H8'1  GPN   7          H8'1      GPN   7   2.655   0.946   6.867
  179   H8'2  GPN   7          H8'2      GPN   7   3.011   2.404   5.935
  180   H5'1  GPN   7          H5'1      GPN   7   6.605   2.329   8.786
  181   H5'2  GPN   7          H5'2      GPN   7   5.734   3.546   9.680
  182   H3'1  GPN   7          H3'1      GPN   7   2.801   3.654   7.472
  183   H3'2  GPN   7          H3'2      GPN   7   3.902   4.715   8.322
  184   H2'1  GPN   7          H2'1      GPN   7   2.231   4.190   9.861
  185   H2'2  GPN   7          H2'2      GPN   7   3.644   3.278  10.376
  186   H1'3  GPN   7          H1'3      GPN   7   1.226   2.159   8.987
  187    H8   GPN   7           H8       GPN   7   2.785  -1.248   5.393
  188    HN1  GPN   7           HN1      GPN   7   6.594   1.673   1.076
  189   HN21  GPN   7          HN21      GPN   7   6.207   4.381   3.289
  190   HN22  GPN   7          HN22      GPN   7   7.009   3.841   1.815
  191   H8'1  CPN   8          H8'1      CPN   8   7.986   2.576   6.053
  192   H8'2  CPN   8          H8'2      CPN   8   8.395   3.532   4.628
  193   H5'1  CPN   8          H5'1      CPN   8  12.296   3.837   7.067
  194   H5'2  CPN   8          H5'2      CPN   8  11.784   5.493   7.306
  195   H3'1  CPN   8          H3'1      CPN   8   8.578   5.246   5.681
  196   H3'2  CPN   8          H3'2      CPN   8   9.910   6.310   6.086
  197   H2'1  CPN   8          H2'1      CPN   8   8.325   6.451   7.851
  198   H2'2  CPN   8          H2'2      CPN   8   9.740   5.605   8.478
  199   H1'3  CPN   8          H1'3      CPN   8   8.435   3.673   8.782
  200    H5   CPN   8           H5       CPN   8   7.707  -1.685   4.310
  201    H6   CPN   8           H6       CPN   8   7.621   0.292   5.756
  202   HN41  CPN   8          HN41      CPN   8   8.560  -2.533   2.149
  203   HN42  CPN   8          HN42      CPN   8   9.523  -1.498   1.086
  204   H8'1  CPN   9          H8'1      CPN   9  13.136   2.166   4.901
  205   H8'2  CPN   9          H8'2      CPN   9  13.293   2.940   3.344
  206   H5'1  CPN   9          H5'1      CPN   9  17.446   3.277   5.361
  207   H5'2  CPN   9          H5'2      CPN   9  17.514   4.742   4.403
  208   H3'1  CPN   9          H3'1      CPN   9  14.364   4.453   2.796
  209   H3'2  CPN   9          H3'2      CPN   9  15.954   5.161   2.751
  210   H2'1  CPN   9          H2'1      CPN   9  14.359   6.591   3.951
  211   H2'2  CPN   9          H2'2      CPN   9  15.723   6.111   4.959
  212   H1'3  CPN   9          H1'3      CPN   9  14.275   5.002   6.398
  213    H5   CPN   9           H5       CPN   9  11.857  -2.052   3.620
  214    H6   CPN   9           H6       CPN   9  12.152   0.078   4.770
  215   HN41  CPN   9          HN41      CPN   9  12.518  -3.346   1.645
  216   HN42  CPN   9          HN42      CPN   9  13.583  -2.670   0.410
  217    HN2  NME  10           HN2      NME  10 -16.302   0.255  -0.718
  218    H1   NME  10           H1       NME  10 -17.379  -1.410  -1.964
  219    H2   NME  10           H2       NME  10 -18.448  -0.067  -2.409
  220    H3   NME  10           H3       NME  10 -18.867  -1.122  -1.042
  221    HN2  NME  10           HN2      NME  10  16.720   2.304   2.231
  222    H1   NME  10           H1       NME  10  19.307   1.049   1.821
  223    H2   NME  10           H2       NME  10  19.024   2.374   0.674
  224    H3   NME  10           H3       NME  10  17.912   0.988   0.732
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1  19.317   7.275  -0.247
    2    H2   ACE   1           H2       ACE   1  18.724   5.901   0.723
    3    H3   ACE   1           H3       ACE   1  17.981   6.267  -0.854
    4   H8'1  GPN   2          H8'1      GPN   2  21.048   3.506  -5.989
    5   H8'2  GPN   2          H8'2      GPN   2  20.601   3.882  -4.324
    6   H5'1  GPN   2          H5'1      GPN   2  18.036   6.747  -6.927
    7   H5'2  GPN   2          H5'2      GPN   2  18.186   7.717  -5.471
    8   H3'1  GPN   2          H3'1      GPN   2  21.083   5.923  -4.652
    9   H3'2  GPN   2          H3'2      GPN   2  20.309   7.448  -5.021
   10   H2'1  GPN   2          H2'1      GPN   2  18.616   6.720  -3.078
   11   H2'2  GPN   2          H2'2      GPN   2  20.135   7.577  -2.780
   12   H1'3  GPN   2          H1'3      GPN   2  20.874   4.899  -2.672
   13    H8   GPN   2           H8       GPN   2  20.514   1.065  -6.732
   14    HN1  GPN   2           HN1      GPN   2  16.544   0.164  -1.728
   15   HN21  GPN   2          HN21      GPN   2  17.216   3.568  -1.165
   16   HN22  GPN   2          HN22      GPN   2  16.379   2.158  -0.555
   17   H8'1  GPN   3          H8'1      GPN   3  14.589   1.079  -3.769
   18   H8'2  GPN   3          H8'2      GPN   3  14.183   2.242  -2.505
   19   H5'1  GPN   3          H5'1      GPN   3  11.776   3.152  -6.432
   20   H5'2  GPN   3          H5'2      GPN   3  13.110   4.173  -6.905
   21   H3'1  GPN   3          H3'1      GPN   3  15.027   3.820  -6.126
   22   H3'2  GPN   3          H3'2      GPN   3  15.400   2.701  -4.831
   23   H2'1  GPN   3          H2'1      GPN   3  15.098   4.402  -3.148
   24   H2'2  GPN   3          H2'2      GPN   3  14.319   5.498  -4.305
   25   H1'3  GPN   3          H1'3      GPN   3  17.228   4.836  -4.205
   26    H8   GPN   3           H8       GPN   3  13.411  -1.275  -3.757
   27    HN1  GPN   3           HN1      GPN   3  10.360   0.198   1.728
   28   HN21  GPN   3          HN21      GPN   3  11.674   3.396   1.053
   29   HN22  GPN   3          HN22      GPN   3  10.678   2.464   2.163
   30   H8'1  CPN   4          H8'1      CPN   4   9.570   4.073  -0.883
   31   H8'2  CPN   4          H8'2      CPN   4  10.351   3.378  -2.294
   32   H5'1  CPN   4          H5'1      CPN   4   7.252   5.810  -4.467
   33   H5'2  CPN   4          H5'2      CPN   4   8.543   6.948  -4.667
   34   H3'1  CPN   4          H3'1      CPN   4  10.512   5.757  -1.746
   35   H3'2  CPN   4          H3'2      CPN   4   9.749   7.287  -2.118
   36   H2'1  CPN   4          H2'1      CPN   4  11.872   7.130  -3.230
   37   H2'2  CPN   4          H2'2      CPN   4  10.593   7.203  -4.422
   38   H1'3  CPN   4          H1'3      CPN   4  11.970   4.634  -3.642
   39    H5   CPN   4           H5       CPN   4   8.707  -0.966  -2.581
   40    H6   CPN   4           H6       CPN   4   9.626   1.203  -3.177
   41   HN41  CPN   4          HN41      CPN   4   7.350  -2.153  -0.946
   42   HN42  CPN   4          HN42      CPN   4   6.627  -1.337   0.439
   43   H8'1  APN   5          H8'1      APN   5   5.815   5.399  -0.608
   44   H8'2  APN   5          H8'2      APN   5   4.654   5.692   0.685
   45   H5'1  APN   5          H5'1      APN   5   3.077   7.971  -3.030
   46   H5'2  APN   5          H5'2      APN   5   4.061   9.297  -2.487
   47   H3'1  APN   5          H3'1      APN   5   5.429   7.619   0.467
   48   H3'2  APN   5          H3'2      APN   5   4.682   9.154   0.091
   49   H2'1  APN   5          H2'1      APN   5   7.095   9.092  -0.405
   50   H2'2  APN   5          H2'2      APN   5   6.110   9.519  -1.789
   51   H1'3  APN   5          H1'3      APN   5   7.526   6.900  -1.386
   52    H8   APN   5           H8       APN   5   5.651   3.038  -1.841
   53   HN61  APN   5          HN61      APN   5   2.792  -0.575   0.081
   54   HN62  APN   5          HN62      APN   5   1.429  -0.456   1.203
   55    H21  APN   5           H21      APN   5   0.809   3.656   2.319
   56   H8'1  TPN   6          H8'1      TPN   6   0.765   6.654   0.171
   57   H8'2  TPN   6          H8'2      TPN   6  -0.417   6.497   1.459
   58   H5'1  TPN   6          H5'1      TPN   6  -2.062   9.410  -1.795
   59   H5'2  TPN   6          H5'2      TPN   6  -1.535  10.676  -0.710
   60   H3'1  TPN   6          H3'1      TPN   6   0.073   8.512   1.716
   61   H3'2  TPN   6          H3'2      TPN   6  -0.877   9.977   1.607
   62   H2'1  TPN   6          H2'1      TPN   6   1.432  10.516   1.313
   63   H2'2  TPN   6          H2'2      TPN   6   0.577  10.836  -0.185
   64   H1'3  TPN   6          H1'3      TPN   6   2.550   8.644   0.321
   65    H6   TPN   6           H6       TPN   6   0.833   5.104  -1.673
   66    HN3  TPN   6           HN3      TPN   6  -1.969   2.267   1.039
   67   HM51  TPN   6          HM51      TPN   6   0.276   2.172  -3.283
   68   HM52  TPN   6          HM52      TPN   6   1.488   1.727  -2.060
   69   HM53  TPN   6          HM53      TPN   6   1.624   3.282  -2.898
   70   H8'1  GPN   7          H8'1      GPN   7  -3.859   6.084   0.431
   71   H8'2  GPN   7          H8'2      GPN   7  -4.980   5.434   1.628
   72   H5'1  GPN   7          H5'1      GPN   7  -7.658   8.189  -0.915
   73   H5'2  GPN   7          H5'2      GPN   7  -7.290   9.427   0.243
   74   H3'1  GPN   7          H3'1      GPN   7  -5.124   7.316   2.378
   75   H3'2  GPN   7          H3'2      GPN   7  -6.573   8.263   2.627
   76   H2'1  GPN   7          H2'1      GPN   7  -4.707   9.718   2.716
   77   H2'2  GPN   7          H2'2      GPN   7  -5.612  10.110   1.267
   78   H1'3  GPN   7          H1'3      GPN   7  -3.020   8.582   1.347
   79    H8   GPN   7           H8       GPN   7  -3.465   4.542  -1.789
   80    HN1  GPN   7           HN1      GPN   7  -7.137  -0.085   0.803
   81   HN21  GPN   7          HN21      GPN   7  -7.716   2.391   3.236
   82   HN22  GPN   7          HN22      GPN   7  -8.150   0.767   2.717
   83   H8'1  CPN   8          H8'1      CPN   8  -8.605   4.638   0.506
   84   H8'2  CPN   8          H8'2      CPN   8  -9.607   3.468   1.360
   85   H5'1  CPN   8          H5'1      CPN   8 -12.636   6.602  -0.151
   86   H5'2  CPN   8          H5'2      CPN   8 -12.582   7.202   1.483
   87   H3'1  CPN   8          H3'1      CPN   8 -10.086   4.866   2.736
   88   H3'2  CPN   8          H3'2      CPN   8 -11.613   5.578   3.210
   89   H2'1  CPN   8          H2'1      CPN   8  -9.773   7.051   3.760
   90   H2'2  CPN   8          H2'2      CPN   8 -10.834   7.809   2.583
   91   H1'3  CPN   8          H1'3      CPN   8  -8.094   6.712   2.052
   92    H5   CPN   8           H5       CPN   8  -7.431   2.440  -3.403
   93    H6   CPN   8           H6       CPN   8  -7.809   4.147  -1.703
   94   HN41  CPN   8          HN41      CPN   8  -8.069   0.187  -4.123
   95   HN42  CPN   8          HN42      CPN   8  -9.267  -0.762  -3.236
   96   H8'1  CPN   9          H8'1      CPN   9 -13.105   3.463  -0.961
   97   H8'2  CPN   9          H8'2      CPN   9 -13.390   1.963  -0.119
   98   H5'1  CPN   9          H5'1      CPN   9 -17.413   4.204  -0.396
   99   H5'2  CPN   9          H5'2      CPN   9 -17.604   3.557   1.220
  100   H3'1  CPN   9          H3'1      CPN   9 -14.583   1.689   1.386
  101   H3'2  CPN   9          H3'2      CPN   9 -16.203   1.878   1.994
  102   H2'1  CPN   9          H2'1      CPN   9 -14.700   3.176   3.350
  103   H2'2  CPN   9          H2'2      CPN   9 -15.819   4.242   2.511
  104   H1'3  CPN   9          H1'3      CPN   9 -12.891   3.980   2.032
  105    H5   CPN   9           H5       CPN   9 -11.342   1.875  -4.892
  106    H6   CPN   9           H6       CPN   9 -11.984   3.241  -2.977
  107   HN41  CPN   9          HN41      CPN   9 -11.688  -0.285  -5.988
  108   HN42  CPN   9          HN42      CPN   9 -12.769  -1.508  -5.315
  109    H1   ACE   1           H1       ACE   1 -20.712 -13.452  -3.310
  110    H2   ACE   1           H2       ACE   1 -19.293 -13.247  -2.258
  111    H3   ACE   1           H3       ACE   1 -19.462 -12.253  -3.723
  112   H8'1  GPN   2          H8'1      GPN   2 -17.605  -6.944  -2.168
  113   H8'2  GPN   2          H8'2      GPN   2 -17.463  -8.282  -3.305
  114   H5'1  GPN   2          H5'1      GPN   2 -14.972 -10.371  -0.372
  115   H5'2  GPN   2          H5'2      GPN   2 -16.462 -10.984   0.306
  116   H3'1  GPN   2          H3'1      GPN   2 -18.642  -8.422  -0.988
  117   H3'2  GPN   2          H3'2      GPN   2 -18.415  -9.564   0.333
  118   H2'1  GPN   2          H2'1      GPN   2 -18.064 -11.403  -1.278
  119   H2'2  GPN   2          H2'2      GPN   2 -18.290 -10.273  -2.626
  120   H1'3  GPN   2          H1'3      GPN   2 -20.581 -10.018  -0.994
  121    H8   GPN   2           H8       GPN   2 -15.548  -8.117  -5.189
  122    HN1  GPN   2           HN1      GPN   2 -14.335  -2.036  -3.403
  123   HN21  GPN   2          HN21      GPN   2 -16.343  -2.922  -0.653
  124   HN22  GPN   2          HN22      GPN   2 -15.349  -1.661  -1.349
  125   H8'1  GPN   3          H8'1      GPN   3 -14.745  -6.325   0.208
  126   H8'2  GPN   3          H8'2      GPN   3 -14.554  -4.830   1.124
  127   H5'1  GPN   3          H5'1      GPN   3 -12.032  -7.883   3.487
  128   H5'2  GPN   3          H5'2      GPN   3 -13.504  -8.272   4.325
  129   H3'1  GPN   3          H3'1      GPN   3 -15.572  -5.698   2.638
  130   H3'2  GPN   3          H3'2      GPN   3 -15.151  -6.079   4.290
  131   H2'1  GPN   3          H2'1      GPN   3 -16.993  -7.442   3.552
  132   H2'2  GPN   3          H2'2      GPN   3 -15.608  -8.450   3.929
  133   H1'3  GPN   3          H1'3      GPN   3 -16.701  -7.865   1.202
  134    H8   GPN   3           H8       GPN   3 -12.907  -6.714  -1.803
  135    HN1  GPN   3           HN1      GPN   3 -10.919  -0.634  -1.045
  136   HN21  GPN   3          HN21      GPN   3 -12.929  -0.841   1.843
  137   HN22  GPN   3          HN22      GPN   3 -11.807   0.184   0.952
  138   H8'1  CPN   4          H8'1      CPN   4 -11.299  -3.707   3.096
  139   H8'2  CPN   4          H8'2      CPN   4 -10.772  -2.090   3.543
  140   H5'1  CPN   4          H5'1      CPN   4  -8.603  -4.918   6.479
  141   H5'2  CPN   4          H5'2      CPN   4 -10.096  -5.028   7.358
  142   H3'1  CPN   4          H3'1      CPN   4 -11.927  -2.597   5.223
  143   H3'2  CPN   4          H3'2      CPN   4 -11.480  -2.609   6.914
  144   H2'1  CPN   4          H2'1      CPN   4 -13.483  -3.912   6.529
  145   H2'2  CPN   4          H2'2      CPN   4 -12.198  -4.922   7.160
  146   H1'3  CPN   4          H1'3      CPN   4 -13.143  -4.890   4.302
  147    H5   CPN   4           H5       CPN   4  -8.837  -4.788  -0.692
  148    H6   CPN   4           H6       CPN   4 -10.154  -4.956   1.348
  149   HN41  CPN   4          HN41      CPN   4  -7.366  -3.328  -1.981
  150   HN42  CPN   4          HN42      CPN   4  -6.905  -1.726  -1.406
  151   H8'1  APN   5          H8'1      APN   5  -7.381  -1.352   5.327
  152   H8'2  APN   5          H8'2      APN   5  -6.691   0.269   5.307
  153   H5'1  APN   5          H5'1      APN   5  -4.643  -1.607   8.980
  154   H5'2  APN   5          H5'2      APN   5  -5.960  -0.940   9.910
  155   H3'1  APN   5          H3'1      APN   5  -7.807   0.447   7.065
  156   H3'2  APN   5          H3'2      APN   5  -7.335   0.827   8.708
  157   H2'1  APN   5          H2'1      APN   5  -9.391  -0.382   8.771
  158   H2'2  APN   5          H2'2      APN   5  -8.127  -1.377   9.479
  159   H1'3  APN   5          H1'3      APN   5  -9.159  -1.768   6.670
  160    H8   APN   5           H8       APN   5  -6.532  -2.983   3.462
  161   HN61  APN   5          HN61      APN   5  -3.329  -1.438  -0.036
  162   HN62  APN   5          HN62      APN   5  -2.192  -0.086  -0.007
  163    H21  APN   5           H21      APN   5  -2.578   2.058   3.712
  164   H8'1  TPN   6          H8'1      TPN   6  -2.469   0.520   7.461
  165   H8'2  TPN   6          H8'2      TPN   6  -1.646   2.015   7.038
  166   H5'1  TPN   6          H5'1      TPN   6   0.841  -0.001  10.421
  167   H5'2  TPN   6          H5'2      TPN   6  -0.001   1.089  11.494
  168   H3'1  TPN   6          H3'1      TPN   6  -2.193   2.551   8.987
  169   H3'2  TPN   6          H3'2      TPN   6  -1.243   2.997  10.387
  170   H2'1  TPN   6          H2'1      TPN   6  -3.394   2.240  11.111
  171   H2'2  TPN   6          H2'2      TPN   6  -2.173   1.107  11.674
  172   H1'3  TPN   6          H1'3      TPN   6  -3.228  -0.571  10.476
  173    H6   TPN   6           H6       TPN   6  -2.248  -1.436   6.142
  174    HN3  TPN   6           HN3      TPN   6   0.582   1.063   3.144
  175   HM51  TPN   6          HM51      TPN   6  -0.957  -3.506   3.808
  176   HM52  TPN   6          HM52      TPN   6  -2.227  -2.667   2.893
  177   HM53  TPN   6          HM53      TPN   6  -2.533  -3.143   4.573
  178   H8'1  GPN   7          H8'1      GPN   7   2.070   1.691   7.067
  179   H8'2  GPN   7          H8'2      GPN   7   2.865   2.935   6.101
  180   H5'1  GPN   7          H5'1      GPN   7   5.920   2.164   9.465
  181   H5'2  GPN   7          H5'2      GPN   7   5.151   3.495  10.278
  182   H3'1  GPN   7          H3'1      GPN   7   2.798   4.304   7.546
  183   H3'2  GPN   7          H3'2      GPN   7   4.020   5.143   8.471
  184   H2'1  GPN   7          H2'1      GPN   7   1.967   5.128   9.698
  185   H2'2  GPN   7          H2'2      GPN   7   3.153   4.169  10.566
  186   H1'3  GPN   7          H1'3      GPN   7   0.755   3.156   9.099
  187    H8   GPN   7           H8       GPN   7   2.135  -0.779   6.007
  188    HN1  GPN   7           HN1      GPN   7   6.232   1.203   1.434
  189   HN21  GPN   7          HN21      GPN   7   5.932   4.252   3.167
  190   HN22  GPN   7          HN22      GPN   7   6.748   3.441   1.833
  191   H8'1  CPN   8          H8'1      CPN   8   6.970   2.158   6.275
  192   H8'2  CPN   8          H8'2      CPN   8   7.617   2.952   4.849
  193   H5'1  CPN   8          H5'1      CPN   8  10.409   3.994   8.411
  194   H5'2  CPN   8          H5'2      CPN   8  10.468   5.524   7.557
  195   H3'1  CPN   8          H3'1      CPN   8   7.982   4.821   5.174
  196   H3'2  CPN   8          H3'2      CPN   8   9.195   5.915   5.776
  197   H2'1  CPN   8          H2'1      CPN   8   6.985   6.452   6.668
  198   H2'2  CPN   8          H2'2      CPN   8   8.132   6.060   7.944
  199   H1'3  CPN   8          H1'3      CPN   8   5.857   4.326   7.025
  200    H5   CPN   8           H5       CPN   8   6.848  -2.176   4.783
  201    H6   CPN   8           H6       CPN   8   6.571  -0.104   6.051
  202   HN41  CPN   8          HN41      CPN   8   8.067  -3.212   2.929
  203   HN42  CPN   8          HN42      CPN   8   9.273  -2.319   1.998
  204   H8'1  CPN   9          H8'1      CPN   9  13.046  -0.157   3.193
  205   H8'2  CPN   9          H8'2      CPN   9  13.662   1.261   2.351
  206   H5'1  CPN   9          H5'1      CPN   9  15.385   2.051   6.749
  207   H5'2  CPN   9          H5'2      CPN   9  16.643   1.482   5.671
  208   H3'1  CPN   9          H3'1      CPN   9  13.179   1.429   6.409
  209   H3'2  CPN   9          H3'2      CPN   9  12.564   0.997   4.823
  210   H2'1  CPN   9          H2'1      CPN   9  13.177   3.177   3.917
  211   H2'2  CPN   9          H2'2      CPN   9  14.069   3.584   5.392
  212   H1'3  CPN   9          H1'3      CPN   9  11.111   3.503   5.087
  213    H5   CPN   9           H5       CPN   9  14.198  -3.786   0.622
  214    H6   CPN   9           H6       CPN   9  13.411  -2.345   2.425
  215   HN41  CPN   9          HN41      CPN   9  15.533  -3.843  -1.430
  216   HN42  CPN   9          HN42      CPN   9  16.311  -2.394  -2.072
  217    HN2  NME  10           HN2      NME  10 -16.861   0.935  -0.764
  218    H1   NME  10           H1       NME  10 -19.119  -0.575  -0.474
  219    H2   NME  10           H2       NME  10 -18.123  -0.643  -1.946
  220    H3   NME  10           H3       NME  10 -19.532   0.428  -1.879
  221    HN2  NME  10           HN2      NME  10  17.335   0.820   7.951
  222    H1   NME  10           H1       NME  10  16.189  -1.417   9.332
  223    H2   NME  10           H2       NME  10  17.861  -0.837   9.476
  224    H3   NME  10           H3       NME  10  17.429  -1.991   8.197
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  20.505   0.611  -9.982
    2    H2   ACE   1           H2       ACE   1  21.868   1.290 -10.902
    3    H3   ACE   1           H3       ACE   1  20.330   2.179 -10.802
    4   H8'1  GPN   2          H8'1      GPN   2  18.181   0.405  -5.989
    5   H8'2  GPN   2          H8'2      GPN   2  17.859   1.410  -4.580
    6   H5'1  GPN   2          H5'1      GPN   2  15.408   3.004  -8.245
    7   H5'2  GPN   2          H5'2      GPN   2  16.840   3.914  -8.672
    8   H3'1  GPN   2          H3'1      GPN   2  18.628   4.111  -7.035
    9   H3'2  GPN   2          H3'2      GPN   2  18.940   2.733  -5.985
   10   H2'1  GPN   2          H2'1      GPN   2  18.728   2.680  -9.025
   11   H2'2  GPN   2          H2'2      GPN   2  18.975   1.245  -8.009
   12   H1'3  GPN   2          H1'3      GPN   2  20.995   3.049  -7.260
   13    H8   GPN   2           H8       GPN   2  16.555  -1.742  -6.381
   14    HN1  GPN   2           HN1      GPN   2  14.473  -1.134  -0.305
   15   HN21  GPN   2          HN21      GPN   2  16.010   2.019  -0.565
   16   HN22  GPN   2          HN22      GPN   2  15.065   0.971   0.468
   17   H8'1  GPN   3          H8'1      GPN   3  14.799   3.168  -4.145
   18   H8'2  GPN   3          H8'2      GPN   3  14.272   3.912  -2.635
   19   H5'1  GPN   3          H5'1      GPN   3  11.812   6.110  -5.853
   20   H5'2  GPN   3          H5'2      GPN   3  13.172   7.181  -6.008
   21   H3'1  GPN   3          H3'1      GPN   3  15.187   5.595  -3.331
   22   H3'2  GPN   3          H3'2      GPN   3  14.548   7.200  -3.611
   23   H2'1  GPN   3          H2'1      GPN   3  16.618   6.861  -4.818
   24   H2'2  GPN   3          H2'2      GPN   3  15.298   7.166  -5.932
   25   H1'3  GPN   3          H1'3      GPN   3  16.693   4.556  -5.489
   26    H8   GPN   3           H8       GPN   3  13.264   0.996  -4.968
   27    HN1  GPN   3           HN1      GPN   3  10.850   0.681   0.991
   28   HN21  GPN   3          HN21      GPN   3  12.287   3.889   1.223
   29   HN22  GPN   3          HN22      GPN   3  11.309   2.698   2.073
   30   H8'1  CPN   4          H8'1      CPN   4  10.141   5.335  -0.290
   31   H8'2  CPN   4          H8'2      CPN   4  10.751   5.165  -1.933
   32   H5'1  CPN   4          H5'1      CPN   4   7.535   8.154  -2.864
   33   H5'2  CPN   4          H5'2      CPN   4   8.837   9.298  -2.783
   34   H3'1  CPN   4          H3'1      CPN   4  10.945   7.251  -0.502
   35   H3'2  CPN   4          H3'2      CPN   4  10.196   8.829  -0.373
   36   H2'1  CPN   4          H2'1      CPN   4  12.265   8.992  -1.588
   37   H2'2  CPN   4          H2'2      CPN   4  10.929   9.417  -2.640
   38   H1'3  CPN   4          H1'3      CPN   4  12.366   6.767  -2.711
   39    H5   CPN   4           H5       CPN   4   8.989   1.148  -3.461
   40    H6   CPN   4           H6       CPN   4   9.972   3.372  -3.369
   41   HN41  CPN   4          HN41      CPN   4   7.686  -0.489  -2.212
   42   HN42  CPN   4          HN42      CPN   4   7.065  -0.154  -0.596
   43   H8'1  APN   5          H8'1      APN   5   6.355   6.387   0.406
   44   H8'2  APN   5          H8'2      APN   5   5.560   6.076   1.949
   45   H5'1  APN   5          H5'1      APN   5   3.119   9.609   0.284
   46   H5'2  APN   5          H5'2      APN   5   4.191  10.620   1.219
   47   H3'1  APN   5          H3'1      APN   5   6.332   7.926   2.455
   48   H3'2  APN   5          H3'2      APN   5   5.575   9.425   2.954
   49   H2'1  APN   5          H2'1      APN   5   7.718   9.899   1.982
   50   H2'2  APN   5          H2'2      APN   5   6.446  10.583   0.978
   51   H1'3  APN   5          H1'3      APN   5   7.920   8.033   0.310
   52    H8   APN   5           H8       APN   5   6.015   4.546  -1.407
   53   HN61  APN   5          HN61      APN   5   3.254   0.492  -0.488
   54   HN62  APN   5          HN62      APN   5   1.981   0.242   0.714
   55    H21  APN   5           H21      APN   5   1.510   3.807   3.093
   56   H8'1  TPN   6          H8'1      TPN   6   1.023   7.534   1.806
   57   H8'2  TPN   6          H8'2      TPN   6   0.147   6.821   3.154
   58   H5'1  TPN   6          H5'1      TPN   6  -2.588  10.092   1.283
   59   H5'2  TPN   6          H5'2      TPN   6  -2.098  11.052   2.656
   60   H3'1  TPN   6          H3'1      TPN   6   0.244   8.663   4.052
   61   H3'2  TPN   6          H3'2      TPN   6  -0.955   9.837   4.535
   62   H2'1  TPN   6          H2'1      TPN   6   1.158  10.931   4.203
   63   H2'2  TPN   6          H2'2      TPN   6   0.002  11.519   3.012
   64   H1'3  TPN   6          H1'3      TPN   6   1.385  10.730   1.323
   65    H6   TPN   6           H6       TPN   6   1.218   6.418  -0.260
   66    HN3  TPN   6           HN3      TPN   6  -1.346   2.794   1.619
   67   HM51  TPN   6          HM51      TPN   6   2.026   5.051  -1.973
   68   HM52  TPN   6          HM52      TPN   6   0.642   4.143  -2.657
   69   HM53  TPN   6          HM53      TPN   6   1.885   3.309  -1.701
   70   H8'1  GPN   7          H8'1      GPN   7  -3.510   6.425   2.226
   71   H8'2  GPN   7          H8'2      GPN   7  -4.267   5.186   3.222
   72   H5'1  GPN   7          H5'1      GPN   7  -7.696   8.165   2.376
   73   H5'2  GPN   7          H5'2      GPN   7  -7.345   8.762   3.973
   74   H3'1  GPN   7          H3'1      GPN   7  -4.742   6.300   4.775
   75   H3'2  GPN   7          H3'2      GPN   7  -6.202   6.947   5.480
   76   H2'1  GPN   7          H2'1      GPN   7  -4.347   8.386   5.981
   77   H2'2  GPN   7          H2'2      GPN   7  -5.493   9.243   4.962
   78   H1'3  GPN   7          H1'3      GPN   7  -2.782   8.253   4.169
   79    H8   GPN   7           H8       GPN   7  -3.070   5.697  -0.318
   80    HN1  GPN   7           HN1      GPN   7  -6.458   0.279   0.577
   81   HN21  GPN   7          HN21      GPN   7  -7.014   1.728   3.732
   82   HN22  GPN   7          HN22      GPN   7  -7.431   0.371   2.688
   83   H8'1  CPN   8          H8'1      CPN   8  -8.139   4.918   1.502
   84   H8'2  CPN   8          H8'2      CPN   8  -8.593   3.328   2.070
   85   H5'1  CPN   8          H5'1      CPN   8 -12.164   6.146   2.928
   86   H5'2  CPN   8          H5'2      CPN   8 -12.416   4.985   4.218
   87   H3'1  CPN   8          H3'1      CPN   8  -9.491   3.117   3.751
   88   H3'2  CPN   8          H3'2      CPN   8 -10.963   3.386   4.629
   89   H2'1  CPN   8          H2'1      CPN   8  -9.024   4.402   5.747
   90   H2'2  CPN   8          H2'2      CPN   8 -10.285   5.565   5.358
   91   H1'3  CPN   8          H1'3      CPN   8  -7.629   5.331   3.966
   92    H5   CPN   8           H5       CPN   8  -6.907   3.864  -2.766
   93    H6   CPN   8           H6       CPN   8  -7.279   4.966  -0.611
   94   HN41  CPN   8          HN41      CPN   8  -7.510   1.928  -4.120
   95   HN42  CPN   8          HN42      CPN   8  -8.671   0.722  -3.562
   96   H8'1  CPN   9          H8'1      CPN   9 -12.671   1.453  -2.456
   97   H8'2  CPN   9          H8'2      CPN   9 -13.491   0.409  -1.299
   98   H5'1  CPN   9          H5'1      CPN   9 -16.419   3.872  -2.567
   99   H5'2  CPN   9          H5'2      CPN   9 -15.991   4.537  -1.003
  100   H3'1  CPN   9          H3'1      CPN   9 -13.878   4.334  -0.618
  101   H3'2  CPN   9          H3'2      CPN   9 -12.881   2.948  -1.018
  102   H2'1  CPN   9          H2'1      CPN   9 -13.958   1.608   0.744
  103   H2'2  CPN   9          H2'2      CPN   9 -15.101   2.919   1.066
  104   H1'3  CPN   9          H1'3      CPN   9 -12.196   2.920   1.735
  105    H5   CPN   9           H5       CPN   9 -12.255  -1.038  -6.289
  106    H6   CPN   9           H6       CPN   9 -12.222   0.759  -4.643
  107   HN41  CPN   9          HN41      CPN   9 -13.165  -3.254  -6.785
  108   HN42  CPN   9          HN42      CPN   9 -14.241  -4.088  -5.659
  109    H1   ACE   1           H1       ACE   1 -20.974  -3.598   2.453
  110    H2   ACE   1           H2       ACE   1 -19.849  -2.255   2.088
  111    H3   ACE   1           H3       ACE   1 -19.264  -3.703   2.958
  112   H8'1  GPN   2          H8'1      GPN   2 -19.863  -7.279  -1.196
  113   H8'2  GPN   2          H8'2      GPN   2 -19.945  -8.962  -1.721
  114   H5'1  GPN   2          H5'1      GPN   2 -18.196  -9.741   2.387
  115   H5'2  GPN   2          H5'2      GPN   2 -18.813  -8.327   3.221
  116   H3'1  GPN   2          H3'1      GPN   2 -20.797  -8.268   2.146
  117   H3'2  GPN   2          H3'2      GPN   2 -20.957  -7.761   0.476
  118   H2'1  GPN   2          H2'1      GPN   2 -19.503  -6.194   2.660
  119   H2'2  GPN   2          H2'2      GPN   2 -21.177  -5.929   2.153
  120   H1'3  GPN   2          H1'3      GPN   2 -19.455  -5.726  -0.150
  121    H8   GPN   2           H8       GPN   2 -18.525  -9.492  -3.849
  122    HN1  GPN   2           HN1      GPN   2 -15.239  -3.970  -3.286
  123   HN21  GPN   2          HN21      GPN   2 -17.261  -3.608  -0.452
  124   HN22  GPN   2          HN22      GPN   2 -15.952  -2.888  -1.371
  125   H8'1  GPN   3          H8'1      GPN   3 -13.572  -6.039  -1.803
  126   H8'2  GPN   3          H8'2      GPN   3 -13.688  -4.808  -0.546
  127   H5'1  GPN   3          H5'1      GPN   3 -11.106  -8.416   0.982
  128   H5'2  GPN   3          H5'2      GPN   3 -12.604  -9.141   1.513
  129   H3'1  GPN   3          H3'1      GPN   3 -14.452  -8.564   0.670
  130   H3'2  GPN   3          H3'2      GPN   3 -14.651  -7.281  -0.507
  131   H2'1  GPN   3          H2'1      GPN   3 -14.984  -5.626   1.253
  132   H2'2  GPN   3          H2'2      GPN   3 -14.514  -6.797   2.501
  133   H1'3  GPN   3          H1'3      GPN   3 -17.053  -6.828   0.925
  134    H8   GPN   3           H8       GPN   3 -11.778  -5.745  -3.710
  135    HN1  GPN   3           HN1      GPN   3 -10.162   0.038  -1.363
  136   HN21  GPN   3          HN21      GPN   3 -12.177  -1.006   1.328
  137   HN22  GPN   3          HN22      GPN   3 -11.136   0.280   0.736
  138   H8'1  CPN   4          H8'1      CPN   4 -10.306  -4.196   1.570
  139   H8'2  CPN   4          H8'2      CPN   4 -10.109  -2.638   2.360
  140   H5'1  CPN   4          H5'1      CPN   4  -7.839  -5.605   5.070
  141   H5'2  CPN   4          H5'2      CPN   4  -9.370  -6.187   5.632
  142   H3'1  CPN   4          H3'1      CPN   4 -11.391  -3.739   3.634
  143   H3'2  CPN   4          H3'2      CPN   4 -11.157  -3.889   5.354
  144   H2'1  CPN   4          H2'1      CPN   4 -12.788  -5.478   4.680
  145   H2'2  CPN   4          H2'2      CPN   4 -11.361  -6.381   5.150
  146   H1'3  CPN   4          H1'3      CPN   4 -11.891  -5.767   2.256
  147    H5   CPN   4           H5       CPN   4  -7.597  -3.980  -2.154
  148    H6   CPN   4           H6       CPN   4  -8.934  -4.819  -0.302
  149   HN41  CPN   4          HN41      CPN   4  -6.324  -2.077  -2.964
  150   HN42  CPN   4          HN42      CPN   4  -6.069  -0.630  -1.989
  151   H8'1  APN   5          H8'1      APN   5  -6.415  -2.235   4.822
  152   H8'2  APN   5          H8'2      APN   5  -5.781  -0.656   5.279
  153   H5'1  APN   5          H5'1      APN   5  -3.355  -3.430   8.029
  154   H5'2  APN   5          H5'2      APN   5  -4.636  -3.214   9.195
  155   H3'1  APN   5          H3'1      APN   5  -6.803  -1.177   7.053
  156   H3'2  APN   5          H3'2      APN   5  -6.207  -1.265   8.701
  157   H2'1  APN   5          H2'1      APN   5  -8.169  -2.621   8.487
  158   H2'2  APN   5          H2'2      APN   5  -6.784  -3.655   8.832
  159   H1'3  APN   5          H1'3      APN   5  -6.786  -4.040   6.233
  160    H8   APN   5           H8       APN   5  -5.609  -3.172   2.487
  161   HN61  APN   5          HN61      APN   5  -2.713  -0.445  -0.498
  162   HN62  APN   5          HN62      APN   5  -1.622   0.890  -0.109
  163    H21  APN   5           H21      APN   5  -1.851   1.754   4.113
  164   H8'1  TPN   6          H8'1      TPN   6  -1.455  -0.777   7.206
  165   H8'2  TPN   6          H8'2      TPN   6  -0.659   0.790   7.202
  166   H5'1  TPN   6          H5'1      TPN   6   1.953  -2.163   9.698
  167   H5'2  TPN   6          H5'2      TPN   6   1.142  -1.495  11.091
  168   H3'1  TPN   6          H3'1      TPN   6  -1.133   0.670   9.250
  169   H3'2  TPN   6          H3'2      TPN   6  -0.122   0.700  10.677
  170   H2'1  TPN   6          H2'1      TPN   6  -2.268  -0.284  11.183
  171   H2'2  TPN   6          H2'2      TPN   6  -0.989  -1.467  11.418
  172   H1'3  TPN   6          H1'3      TPN   6  -1.962  -2.808   9.787
  173    H6   TPN   6           H6       TPN   6  -1.266  -2.285   5.384
  174    HN3  TPN   6           HN3      TPN   6   1.275   1.085   3.062
  175   HM51  TPN   6          HM51      TPN   6  -0.139  -3.549   2.479
  176   HM52  TPN   6          HM52      TPN   6  -1.467  -2.514   1.913
  177   HM53  TPN   6          HM53      TPN   6  -1.670  -3.454   3.401
  178   H8'1  GPN   7          H8'1      GPN   7   3.002   0.662   6.939
  179   H8'2  GPN   7          H8'2      GPN   7   3.910   2.083   6.425
  180   H5'1  GPN   7          H5'1      GPN   7   6.800  -0.082   9.301
  181   H5'2  GPN   7          H5'2      GPN   7   6.124   0.935  10.536
  182   H3'1  GPN   7          H3'1      GPN   7   3.878   2.825   8.285
  183   H3'2  GPN   7          H3'2      GPN   7   5.172   3.244   9.385
  184   H2'1  GPN   7          H2'1      GPN   7   3.088   2.942  10.571
  185   H2'2  GPN   7          H2'2      GPN   7   4.270   1.762  11.107
  186   H1'3  GPN   7          H1'3      GPN   7   1.837   1.239   9.457
  187    H8   GPN   7           H8       GPN   7   3.018  -1.427   5.200
  188    HN1  GPN   7           HN1      GPN   7   6.843   1.906   1.216
  189   HN21  GPN   7          HN21      GPN   7   6.810   4.206   3.880
  190   HN22  GPN   7          HN22      GPN   7   7.490   3.872   2.292
  191   H8'1  CPN   8          H8'1      CPN   8   7.815   1.339   6.095
  192   H8'2  CPN   8          H8'2      CPN   8   8.631   2.479   5.030
  193   H5'1  CPN   8          H5'1      CPN   8  11.720   1.514   8.342
  194   H5'2  CPN   8          H5'2      CPN   8  11.498   3.199   8.744
  195   H3'1  CPN   8          H3'1      CPN   8   8.964   3.956   6.304
  196   H3'2  CPN   8          H3'2      CPN   8  10.324   4.629   7.174
  197   H2'1  CPN   8          H2'1      CPN   8   8.286   4.870   8.463
  198   H2'2  CPN   8          H2'2      CPN   8   9.434   3.839   9.305
  199   H1'3  CPN   8          H1'3      CPN   8   6.945   2.906   7.900
  200    H5   CPN   8           H5       CPN   8   7.446  -2.415   3.435
  201    H6   CPN   8           H6       CPN   8   7.364  -0.833   5.293
  202   HN41  CPN   8          HN41      CPN   8   8.427  -2.827   1.229
  203   HN42  CPN   8          HN42      CPN   8   9.592  -1.709   0.512
  204   H8'1  CPN   9          H8'1      CPN   9  12.726  -0.180   5.519
  205   H8'2  CPN   9          H8'2      CPN   9  12.599   1.091   4.333
  206   H5'1  CPN   9          H5'1      CPN   9  16.761   1.656   6.065
  207   H5'2  CPN   9          H5'2      CPN   9  16.698   3.147   5.147
  208   H3'1  CPN   9          H3'1      CPN   9  13.651   2.517   3.410
  209   H3'2  CPN   9          H3'2      CPN   9  15.158   3.398   3.415
  210   H2'1  CPN   9          H2'1      CPN   9  13.550   4.748   4.538
  211   H2'2  CPN   9          H2'2      CPN   9  14.714   4.191   5.732
  212   H1'3  CPN   9          H1'3      CPN   9  11.856   3.395   5.497
  213    H5   CPN   9           H5       CPN   9  11.507  -3.743   2.976
  214    H6   CPN   9           H6       CPN   9  11.756  -2.064   4.723
  215   HN41  CPN   9          HN41      CPN   9  12.164  -4.344   0.703
  216   HN42  CPN   9          HN42      CPN   9  13.198  -3.297  -0.274
  217    HN2  NME  10           HN2      NME  10 -18.534   4.457  -1.462
  218    H1   NME  10           H1       NME  10 -19.774   3.122   0.651
  219    H2   NME  10           H2       NME  10 -19.975   2.050  -0.751
  220    H3   NME  10           H3       NME  10 -20.621   3.702  -0.798
  221    HN2  NME  10           HN2      NME  10  16.216   0.705   2.898
  222    H1   NME  10           H1       NME  10  18.867  -0.367   2.540
  223    H2   NME  10           H2       NME  10  18.619   1.026   1.467
  224    H3   NME  10           H3       NME  10  17.553  -0.393   1.350