Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
	#0 4ufi_A.cif

H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
GLY 1.A N      GLU 325.A OE1  no hydrogen  3.474  N/A
TYR 3.A N      THR 370.A O    no hydrogen  2.663  N/A
LEU 5.A N      THR 372.A O    no hydrogen  2.919  N/A
ASP 6.A N      THR 320.A OG1  no hydrogen  3.186  N/A
ASP 7.A N      ASP 6.A OD1    no hydrogen  2.646  N/A
SER 8.A N      ASP 6.A OD1    no hydrogen  2.901  N/A
GLY 10.A N     ASP 7.A O      no hydrogen  3.114  N/A
GLY 12.A N     TYR 317.A O    no hydrogen  2.629  N/A
ARG 13.A N     TYR 256.A OH   no hydrogen  3.002  N/A
ARG 13.A NH1   LYS 228.A O    no hydrogen  3.259  N/A
PHE 15.A N     TRP 315.A O    no hydrogen  2.752  N/A
ASP 16.A N     THR 262.A O    no hydrogen  2.816  N/A
ILE 18.A N     HIS 56.A ND1   no hydrogen  3.029  N/A
GLY 19.A N     THR 264.A O    no hydrogen  3.166  N/A
ALA 20.A N     ILE 57.A O     no hydrogen  3.323  N/A
VAL 21.A N     ALA 266.A O    no hydrogen  2.703  N/A
SER 22.A N     LYS 59.A O     no hydrogen  2.751  N/A
SER 22.A OG    SER 28.A OG    no hydrogen  2.762  N/A
SER 22.A OG    GLU 90.A OE1   no hydrogen  2.708  N/A
SER 22.A OG    GLU 90.A OE2   no hydrogen  3.247  N/A
GLY 23.A N     THR 27.A OG1   no hydrogen  2.945  N/A
GLY 24.A N     GLU 61.A OE1   no hydrogen  2.857  N/A
ALA 26.A N     GLU 73.A OE2   no hydrogen  2.746  N/A
SER 28.A OG    SER 22.A OG    no hydrogen  2.762  N/A
ARG 29.A N     ALA 26.A O     no hydrogen  3.362  N/A
ARG 29.A NE    PHE 464.A O    no hydrogen  3.010  N/A
ARG 29.A NH1   ARG 29.A O     no hydrogen  3.133  N/A
ARG 29.A NH2   ALA 461.A O    no hydrogen  2.719  N/A
ARG 29.A NH2   PHE 464.A O    no hydrogen  2.683  N/A
LEU 30.A N     SER 272.A O    no hydrogen  2.758  N/A
LEU 31.A N     SER 28.A O     no hydrogen  3.258  N/A
ASN 33.A ND2   ASN 463.A OD1  no hydrogen  3.115  N/A
TYR 34.A N     LEU 31.A O     no hydrogen  3.169  N/A
TYR 34.A OH    HIS 294.A O    no hydrogen  2.681  N/A
ARG 39.A N     PRO 35.A O     no hydrogen  3.175  N/A
ARG 39.A NH1   VAL 32.A O     no hydrogen  2.776  N/A
SER 40.A N     GLU 36.A OE1   no hydrogen  3.208  N/A
SER 40.A N     PRO 37.A O     no hydrogen  3.015  N/A
GLU 41.A N     PRO 37.A O     no hydrogen  3.063  N/A
ILE 42.A N     TYR 38.A O     no hydrogen  2.876  N/A
LEU 43.A N     ARG 39.A O     no hydrogen  3.247  N/A
ASP 44.A N     SER 40.A O     no hydrogen  2.972  N/A
TYR 45.A N     GLU 41.A O     no hydrogen  2.972  N/A
LEU 46.A N     ILE 42.A O     no hydrogen  3.251  N/A
PHE 47.A N     LEU 43.A O     no hydrogen  2.842  N/A
LYS 48.A N     ASP 44.A O     no hydrogen  2.939  N/A
ALA 53.A N     TYR 45.A O     no hydrogen  2.695  N/A
SER 54.A OG    LYS 48.A O     no hydrogen  3.291  N/A
SER 54.A OG    GLY 52.A O     no hydrogen  2.759  N/A
LEU 55.A N     LEU 46.A O     no hydrogen  3.223  N/A
HIS 56.A N     ILE 18.A O     no hydrogen  2.851  N/A
HIS 56.A NE2   THR 308.A O    no hydrogen  3.070  N/A
LEU 58.A N     ILE 105.A O    no hydrogen  2.751  N/A
LYS 59.A N     ALA 20.A O     no hydrogen  2.972  N/A
LYS 59.A NZ    ASP 187.A OD1  no hydrogen  3.088  N/A
LYS 59.A NZ    SER 233.A O    no hydrogen  2.938  N/A
VAL 60.A N     MET 107.A O    no hydrogen  2.955  N/A
GLU 61.A N     SER 22.A O     no hydrogen  3.060  N/A
ILE 62.A N     LEU 109.A O    no hydrogen  2.891  N/A
ASP 65.A N     GLU 73.A O     no hydrogen  2.926  N/A
GLY 66.A N     SER 112.A OG   no hydrogen  3.006  N/A
GLN 67.A N     ASP 500.A OD2  no hydrogen  2.971  N/A
GLN 67.A NE2   GLN 467.A O    no hydrogen  2.834  N/A
GLN 67.A NE2   GLN 467.A OE1  no hydrogen  3.117  N/A
THR 68.A N     GLY 71.A O     no hydrogen  2.951  N/A
THR 68.A OG1   GLU 61.A OE1   no hydrogen  3.062  N/A
THR 68.A OG1   GLU 61.A OE2   no hydrogen  3.310  N/A
THR 68.A OG1   GLY 71.A O     no hydrogen  3.484  N/A
THR 69.A N     GLN 67.A OE1   no hydrogen  2.856  N/A
THR 69.A OG1   GLY 24.A O     no hydrogen  3.542  N/A
THR 69.A OG1   THR 68.A O     no hydrogen  2.564  N/A
GLY 71.A N     GLN 67.A OE1   no hydrogen  2.909  N/A
THR 72.A N     ASP 466.A O    no hydrogen  2.844  N/A
THR 72.A OG1   GLY 469.A O    no hydrogen  2.834  N/A
SER 75.A N     ASP 65.A OD1   no hydrogen  2.699  N/A
SER 75.A OG    TYR 134.A OH   no hydrogen  2.909  N/A
HIS 76.A NE2   TYR 134.A O    no hydrogen  2.941  N/A
MET 77.A N     SER 75.A OG    no hydrogen  3.095  N/A
HIS 78.A N     ASP 82.A OD2   no hydrogen  2.958  N/A
HIS 78.A ND1   ASP 65.A OD2   no hydrogen  2.722  N/A
HIS 78.A NE2   GLU 472.A OE2  no hydrogen  2.843  N/A
TYR 79.A OH    VAL 489.A O    no hydrogen  2.445  N/A
ASP 82.A N     TYR 79.A O     no hydrogen  3.139  N/A
ASN 84.A N     HIS 76.A O     no hydrogen  2.962  N/A
TYR 85.A OH    GLU 83.A OE1   no hydrogen  2.664  N/A
TYR 85.A OH    ARG 137.A O    no hydrogen  3.313  N/A
PHE 86.A N     ASN 84.A OD1   no hydrogen  2.755  N/A
ARG 87.A NH1   SER 75.A O     no hydrogen  2.924  N/A
ARG 87.A NH1   ASP 82.A OD2   no hydrogen  3.183  N/A
ARG 87.A NH2   ASP 82.A OD1   no hydrogen  3.260  N/A
ARG 87.A NH2   ASP 82.A OD2   no hydrogen  3.170  N/A
GLY 88.A N     SER 459.A OG   no hydrogen  3.106  N/A
LEU 93.A N     TYR 89.A O     no hydrogen  2.884  N/A
MET 94.A N     GLU 90.A O     no hydrogen  2.943  N/A
LYS 95.A N     TRP 91.A O     no hydrogen  3.086  N/A
LYS 95.A NZ    HIS 146.A ND1  no hydrogen  3.143  N/A
GLU 96.A N     TRP 92.A O     no hydrogen  2.968  N/A
ALA 97.A N     LEU 93.A O     no hydrogen  2.985  N/A
LYS 98.A N     MET 94.A O     no hydrogen  2.996  N/A
LYS 98.A NZ    ASP 147.A O    no hydrogen  2.578  N/A
LYS 99.A N     LYS 95.A O     no hydrogen  2.946  N/A
LYS 99.A NZ    GLU 96.A OE2   no hydrogen  3.205  N/A
ARG 100.A N    GLU 96.A O     no hydrogen  3.344  N/A
ARG 100.A NE   ASP 44.A OD1   no hydrogen  2.685  N/A
ARG 100.A NH1  GLU 96.A O     no hydrogen  2.938  N/A
ARG 100.A NH1  GLU 96.A OE1   no hydrogen  2.866  N/A
ARG 100.A NH2  SER 40.A O     no hydrogen  3.390  N/A
ASN 101.A N    ALA 97.A O     no hydrogen  2.834  N/A
ASN 101.A ND2  LEU 55.A O     no hydrogen  3.594  N/A
ASP 103.A N    ASN 101.A OD1  no hydrogen  3.011  N/A
ILE 104.A N    ASN 101.A O    no hydrogen  3.110  N/A
ILE 105.A N    HIS 56.A O     no hydrogen  2.906  N/A
LEU 106.A N    ASP 151.A OD2  no hydrogen  2.764  N/A
MET 107.A N    LEU 58.A O     no hydrogen  3.023  N/A
GLY 108.A N    TYR 152.A O    no hydrogen  2.979  N/A
LEU 109.A N    VAL 60.A O     no hydrogen  3.209  N/A
PHE 113.A N    ILE 495.A O    no hydrogen  3.185  N/A
TRP 116.A NE1  MET 77.A O     no hydrogen  3.009  N/A
LEU 117.A N    PRO 114.A O    no hydrogen  3.138  N/A
GLY 118.A N    GLY 115.A O    no hydrogen  2.947  N/A
LYS 119.A N    TRP 116.A O    no hydrogen  3.269  N/A
LYS 119.A NZ   GLU 80.A OE2   no hydrogen  3.318  N/A
PHE 121.A N    GLY 118.A O    no hydrogen  3.016  N/A
TYR 125.A OH   PRO 160.A O    no hydrogen  2.910  N/A
LEU 130.A N    ASN 127.A OD1  no hydrogen  3.301  N/A
THR 131.A N    ASN 127.A O    no hydrogen  3.233  N/A
THR 131.A OG1  PRO 124.A O    no hydrogen  2.575  N/A
ALA 132.A N    LEU 128.A O    no hydrogen  3.117  N/A
TYR 133.A N    GLN 129.A O    no hydrogen  2.816  N/A
TYR 134.A N    LEU 130.A O    no hydrogen  2.980  N/A
TYR 134.A OH   SER 75.A OG    no hydrogen  2.909  N/A
VAL 135.A N    THR 131.A O    no hydrogen  3.102  N/A
VAL 136.A N    ALA 132.A O    no hydrogen  2.798  N/A
ARG 137.A N    TYR 133.A O    no hydrogen  2.972  N/A
TRP 138.A N    VAL 135.A O    no hydrogen  3.134  N/A
ILE 139.A N    VAL 135.A O    no hydrogen  3.403  N/A
LEU 140.A N    VAL 136.A O    no hydrogen  2.923  N/A
GLY 141.A N    ARG 137.A O    no hydrogen  2.926  N/A
ALA 142.A N    TRP 138.A O    no hydrogen  3.012  N/A
LYS 143.A N    ILE 139.A O    no hydrogen  3.385  N/A
LYS 143.A NZ   ASP 149.A OD1  no hydrogen  2.701  N/A
HIS 144.A N    LEU 140.A O    no hydrogen  2.828  N/A
TYR 145.A N    GLY 141.A O    no hydrogen  2.932  N/A
HIS 146.A N    ALA 142.A O    no hydrogen  3.281  N/A
HIS 146.A NE2  TYR 85.A O     no hydrogen  2.642  N/A
ASP 147.A N    LYS 143.A O    no hydrogen  3.008  N/A
LEU 148.A N    ALA 142.A O    no hydrogen  2.868  N/A
ASP 151.A N    LEU 106.A O    no hydrogen  2.768  N/A
TYR 152.A N    LEU 106.A O    no hydrogen  3.135  N/A
ILE 153.A N    ARG 182.A O    no hydrogen  2.824  N/A
GLY 154.A N    GLY 108.A O    no hydrogen  3.048  N/A
TRP 156.A NE1  TRP 111.A O    no hydrogen  2.776  N/A
ASN 157.A N    PRO 110.A O    no hydrogen  3.022  N/A
GLU 158.A N    ASP 187.A O    no hydrogen  2.819  N/A
ARG 159.A N    TRP 156.A O    no hydrogen  2.981  N/A
ARG 159.A NH1  GLU 158.A O    no hydrogen  2.708  N/A
ARG 159.A NH2  TRP 497.A O    no hydrogen  2.707  N/A
TYR 165.A N    ASP 162.A OD1  no hydrogen  3.095  N/A
ILE 166.A N    ASP 162.A O    no hydrogen  3.135  N/A
LYS 167.A N    ALA 163.A O    no hydrogen  3.127  N/A
LYS 167.A NZ   ASP 200.A OD2  no hydrogen  2.899  N/A
GLU 168.A N    ASN 164.A O    no hydrogen  2.915  N/A
LEU 169.A N    TYR 165.A O    no hydrogen  2.788  N/A
ARG 170.A N    ILE 166.A O    no hydrogen  3.103  N/A
ARG 170.A NE   ARG 170.A O    no hydrogen  3.223  N/A
ARG 170.A NE   ASP 174.A OD1  no hydrogen  3.054  N/A
ARG 170.A NH1  VAL 181.A O    no hydrogen  2.906  N/A
ARG 170.A NH2  ASP 174.A OD1  no hydrogen  3.061  N/A
ARG 170.A NH2  VAL 181.A O    no hydrogen  3.097  N/A
LYS 171.A N    LYS 167.A O    no hydrogen  3.052  N/A
MET 172.A N    GLU 168.A O    no hydrogen  2.750  N/A
LEU 173.A N    LEU 169.A O    no hydrogen  2.911  N/A
ASP 174.A N    ARG 170.A O    no hydrogen  3.036  N/A
TYR 175.A N    LYS 171.A O    no hydrogen  3.071  N/A
GLN 176.A N    MET 172.A O    no hydrogen  3.079  N/A
GLN 176.A N    LEU 173.A O    no hydrogen  3.017  N/A
GLY 177.A N    ASP 174.A O    no hydrogen  3.048  N/A
LEU 178.A N    LEU 173.A O    no hydrogen  2.850  N/A
GLN 179.A N    GLN 179.A OE1  no hydrogen  2.538  N/A
ARG 180.A NH1  ASP 151.A OD1  no hydrogen  2.212  N/A
VAL 181.A N    LEU 178.A O    no hydrogen  2.991  N/A
ARG 182.A N    ASP 151.A O    no hydrogen  3.090  N/A
ILE 183.A N    ASP 208.A OD2  no hydrogen  2.866  N/A
ILE 184.A N    ILE 153.A O    no hydrogen  2.961  N/A
ALA 185.A N    VAL 209.A O    no hydrogen  3.102  N/A
ASP 187.A N    GLY 211.A O    no hydrogen  3.187  N/A
SER 194.A N    TRP 190.A O    no hydrogen  2.957  N/A
SER 194.A OG   TRP 190.A O    no hydrogen  2.737  N/A
SER 195.A N    GLU 191.A OE1  no hydrogen  2.931  N/A
SER 195.A OG   GLU 191.A OE1  no hydrogen  2.801  N/A
SER 195.A OG   PRO 192.A O    no hydrogen  3.443  N/A
SER 196.A N    PRO 192.A O    no hydrogen  3.210  N/A
SER 196.A OG   PRO 192.A O    no hydrogen  2.818  N/A
LEU 197.A N    ILE 193.A O    no hydrogen  3.121  N/A
LEU 198.A N    SER 195.A O    no hydrogen  3.022  N/A
LEU 199.A N    SER 195.A O    no hydrogen  3.152  N/A
GLU 202.A N    ASP 200.A OD1  no hydrogen  3.026  N/A
LEU 203.A N    ASP 200.A OD1  no hydrogen  3.216  N/A
TRP 204.A N    ASP 200.A O    no hydrogen  2.986  N/A
TRP 204.A NE1  SER 226.A O    no hydrogen  2.995  N/A
LYS 205.A N    GLN 201.A O    no hydrogen  3.040  N/A
LYS 205.A NZ   GLU 202.A OE2  no hydrogen  3.105  N/A
VAL 206.A N    LEU 203.A O    no hydrogen  3.123  N/A
VAL 207.A N    LEU 203.A O    no hydrogen  3.220  N/A
ASP 208.A N    ILE 183.A O    no hydrogen  2.991  N/A
VAL 209.A N    ILE 183.A O    no hydrogen  3.280  N/A
ILE 210.A N    LYS 229.A O    no hydrogen  2.972  N/A
GLY 211.A N    ALA 185.A O    no hydrogen  3.021  N/A
ALA 212.A N    TRP 231.A O    no hydrogen  3.050  N/A
HIS 213.A N    ASN 188.A O    no hydrogen  2.818  N/A
HIS 213.A ND1  GLU 158.A OE2  no hydrogen  2.819  N/A
HIS 213.A NE2  ASP 187.A OD1  no hydrogen  2.676  N/A
TYR 214.A N    GLU 234.A O    no hydrogen  2.925  N/A
TYR 214.A OH   GLU 234.A OE2  no hydrogen  2.836  N/A
THR 217.A OG1  GLY 216.A O    no hydrogen  2.459  N/A
TYR 218.A N    PRO 215.A O    no hydrogen  3.401  N/A
VAL 220.A N    THR 219.A OG1  no hydrogen  2.645  N/A
ASN 222.A ND2  GLU 191.A OE2  no hydrogen  2.668  N/A
LYS 224.A N    VAL 220.A O    no hydrogen  3.250  N/A
LYS 224.A NZ   ASN 260.A OD1  no hydrogen  2.678  N/A
MET 225.A N    TRP 221.A O    no hydrogen  2.878  N/A
SER 226.A N    ASN 222.A O    no hydrogen  3.085  N/A
SER 226.A N    ALA 223.A O    no hydrogen  3.275  N/A
SER 226.A OG   ALA 223.A O    no hydrogen  2.594  N/A
GLY 227.A N    LYS 224.A O    no hydrogen  3.432  N/A
LYS 228.A N    SER 226.A OG   no hydrogen  3.223  N/A
LYS 228.A NZ   TRP 204.A O    no hydrogen  2.790  N/A
LYS 228.A NZ   VAL 207.A O    no hydrogen  2.769  N/A
LYS 229.A NZ   GLU 14.A OE1   no hydrogen  3.222  N/A
LYS 229.A NZ   ASP 16.A OD1   no hydrogen  2.633  N/A
LYS 229.A NZ   ASP 16.A OD2   no hydrogen  3.359  N/A
TRP 231.A N    ILE 210.A O    no hydrogen  2.978  N/A
TRP 231.A NE1  ASP 16.A OD2   no hydrogen  2.860  N/A
SER 232.A N    SER 263.A O    no hydrogen  2.868  N/A
SER 232.A OG   ASP 235.A OD2  no hydrogen  2.790  N/A
SER 233.A N    ALA 212.A O    no hydrogen  2.980  N/A
SER 233.A OG   ASP 187.A OD1  no hydrogen  2.818  N/A
SER 233.A OG   ALA 212.A O    no hydrogen  3.496  N/A
PHE 236.A N    ASP 235.A OD1  no hydrogen  3.138  N/A
SER 237.A N    TRP 267.A O    no hydrogen  2.871  N/A
SER 237.A OG   SER 237.A O    no hydrogen  2.542  N/A
THR 238.A OG1  PHE 236.A O    no hydrogen  2.988  N/A
ASN 240.A N    ARG 281.A O    no hydrogen  3.031  N/A
ASN 240.A ND2  GLY 283.A O    no hydrogen  3.016  N/A
ASN 240.A ND2  THR 286.A OG1  no hydrogen  2.987  N/A
VAL 243.A N    SER 241.A OG   no hydrogen  3.348  N/A
ALA 245.A N    SER 241.A O    no hydrogen  3.188  N/A
GLY 246.A N    ASN 242.A O    no hydrogen  2.947  N/A
CYS 247.A N    VAL 243.A O    no hydrogen  3.015  N/A
TRP 248.A N    GLY 244.A O    no hydrogen  2.946  N/A
TRP 248.A NE1  SER 304.A OG   no hydrogen  3.011  N/A
SER 249.A N    ALA 245.A O    no hydrogen  2.926  N/A
ARG 250.A N    GLY 246.A O    no hydrogen  2.872  N/A
ARG 250.A NE   SER 352.A OG   no hydrogen  3.117  N/A
ARG 250.A NH2  SER 352.A O    no hydrogen  2.817  N/A
ILE 251.A N    CYS 247.A O    no hydrogen  3.100  N/A
LEU 252.A N    TRP 248.A O    no hydrogen  3.102  N/A
ASN 253.A ND2  SER 329.A OG   no hydrogen  3.411  N/A
ASN 253.A ND2  ILE 343.A O    no hydrogen  3.168  N/A
GLN 254.A N    ARG 250.A O    no hydrogen  2.955  N/A
GLN 254.A NE2  GLU 345.A OE1  no hydrogen  3.268  N/A
ASN 255.A N    ILE 251.A O    no hydrogen  2.894  N/A
ASN 255.A ND2  ASP 235.A OD2  no hydrogen  3.379  N/A
ASN 255.A ND2  THR 264.A OG1  no hydrogen  2.789  N/A
TYR 256.A N    ASN 253.A O    no hydrogen  3.292  N/A
ILE 257.A N    ASN 253.A O    no hydrogen  3.347  N/A
ASN 258.A N    GLN 254.A O    no hydrogen  3.039  N/A
ASN 258.A ND2  GLN 254.A O    no hydrogen  2.701  N/A
ASN 258.A ND2  GLN 254.A OE1  no hydrogen  3.558  N/A
ASN 260.A N    TYR 256.A O    no hydrogen  2.998  N/A
MET 261.A N    ASN 255.A O    no hydrogen  3.080  N/A
THR 262.A N    LEU 230.A O    no hydrogen  2.927  N/A
THR 262.A OG1  ASP 16.A OD2   no hydrogen  2.764  N/A
THR 262.A OG1  LEU 230.A O    no hydrogen  3.523  N/A
SER 263.A OG   GLY 17.A O     no hydrogen  2.876  N/A
ILE 265.A N    SER 232.A O    no hydrogen  2.959  N/A
ALA 266.A N    GLY 19.A O     no hydrogen  3.052  N/A
TRP 267.A N    ASP 235.A O    no hydrogen  3.001  N/A
TRP 267.A NE1  GLY 23.A O     no hydrogen  2.920  N/A
ASN 268.A N    SER 282.A O    no hydrogen  2.997  N/A
ASN 268.A ND2  TYR 273.A OH   no hydrogen  3.213  N/A
LEU 269.A N    VAL 21.A O     no hydrogen  2.762  N/A
ALA 271.A N    MET 285.A O    no hydrogen  2.822  N/A
SER 272.A N    THR 27.A O     no hydrogen  3.027  N/A
SER 272.A N    VAL 270.A O    no hydrogen  2.865  N/A
SER 272.A OG   ALA 287.A O    no hydrogen  2.839  N/A
TYR 273.A OH   TYR 279.A O    no hydrogen  2.536  N/A
TYR 274.A OH   ASN 463.A O    no hydrogen  2.860  N/A
GLU 276.A N    GLU 276.A OE1  no hydrogen  2.800  N/A
LEU 277.A N    TYR 274.A O    no hydrogen  3.063  N/A
ARG 281.A NE   GLU 275.A OE2  no hydrogen  2.776  N/A
ARG 281.A NH1  ASN 240.A OD1  no hydrogen  3.044  N/A
SER 282.A N    TYR 273.A OH   no hydrogen  3.446  N/A
SER 282.A OG   TYR 279.A O    no hydrogen  3.110  N/A
SER 282.A OG   GLY 280.A O    no hydrogen  3.494  N/A
LEU 284.A N    ASN 268.A O    no hydrogen  3.174  N/A
LEU 284.A N    LEU 269.A O    no hydrogen  3.289  N/A
THR 286.A N    VAL 296.A O    no hydrogen  3.133  N/A
ALA 287.A N    ALA 271.A O    no hydrogen  3.110  N/A
GLN 288.A NE2  GLU 275.A OE1  no hydrogen  3.198  N/A
GLU 289.A N    TYR 34.A OH    no hydrogen  2.903  N/A
TRP 291.A NE1  LYS 441.A O    no hydrogen  3.052  N/A
SER 292.A N    GLU 289.A O    no hydrogen  3.186  N/A
SER 292.A OG   GLU 289.A O    no hydrogen  3.410  N/A
SER 292.A OG   GLU 289.A OE1  no hydrogen  2.598  N/A
GLY 293.A N    GLU 289.A O    no hydrogen  2.843  N/A
HIS 294.A N    SER 292.A OG   no hydrogen  3.190  N/A
TYR 295.A OH   GLU 41.A OE1   no hydrogen  2.734  N/A
VAL 296.A N    THR 286.A O    no hydrogen  2.861  N/A
ILE 301.A N    ALA 298.A O    no hydrogen  2.938  N/A
TRP 302.A N    SER 299.A O    no hydrogen  2.906  N/A
VAL 303.A N    SER 299.A O    no hydrogen  3.080  N/A
SER 304.A N    PRO 300.A O    no hydrogen  3.037  N/A
SER 304.A OG   PRO 300.A O    no hydrogen  2.679  N/A
ALA 305.A N    ILE 301.A O    no hydrogen  3.314  N/A
HIS 306.A N    TRP 302.A O    no hydrogen  3.262  N/A
HIS 306.A ND1  THR 422.A OG1  no hydrogen  2.836  N/A
HIS 306.A NE2  THR 388.A OG1  no hydrogen  2.335  N/A
THR 307.A N    SER 304.A O    no hydrogen  2.971  N/A
THR 308.A N    SER 304.A O    no hydrogen  2.798  N/A
THR 308.A OG1  ALA 53.A O     no hydrogen  2.586  N/A
THR 308.A OG1  SER 304.A O    no hydrogen  2.920  N/A
GLN 309.A N    ALA 305.A O    no hydrogen  3.154  N/A
GLN 309.A NE2  GLY 52.A O     no hydrogen  3.396  N/A
GLN 309.A NE2  ARG 430.A O    no hydrogen  2.949  N/A
PHE 310.A N    THR 307.A O    no hydrogen  3.152  N/A
THR 311.A OG1  THR 307.A O    no hydrogen  2.484  N/A
GLY 314.A N    PHE 15.A O     no hydrogen  3.004  N/A
TRP 315.A N    GLN 312.A O    no hydrogen  3.064  N/A
TYR 316.A N    THR 334.A O    no hydrogen  3.002  N/A
TYR 317.A N    ARG 13.A O     no hydrogen  3.004  N/A
LEU 318.A N    ALA 332.A O    no hydrogen  2.958  N/A
LYS 319.A NZ   ASP 9.A O      no hydrogen  3.229  N/A
VAL 321.A N    LYS 319.A O    no hydrogen  3.083  N/A
GLY 322.A N    TYR 330.A O    no hydrogen  3.237  N/A
HIS 323.A NE2  ASN 258.A OD1  no hydrogen  2.935  N/A
LEU 324.A N    GLY 328.A O    no hydrogen  2.808  N/A
GLU 325.A N    TYR 3.A OH     no hydrogen  3.253  N/A
LYS 326.A N    GLN 367.A OE1  no hydrogen  3.183  N/A
GLY 327.A N    LEU 324.A O    no hydrogen  3.082  N/A
SER 329.A N    GLU 345.A O    no hydrogen  2.888  N/A
SER 329.A OG   GLU 345.A OE1  no hydrogen  2.427  N/A
TYR 330.A N    GLY 322.A O    no hydrogen  2.943  N/A
VAL 331.A N    ILE 343.A O    no hydrogen  2.974  N/A
LEU 333.A N    THR 341.A O    no hydrogen  2.883  N/A
THR 334.A N    TYR 316.A O    no hydrogen  3.059  N/A
LEU 337.A N    ASP 335.A OD1  no hydrogen  2.665  N/A
ASN 339.A N    ASP 335.A OD1  no hydrogen  3.173  N/A
ASN 339.A ND2  ASP 335.A OD2  no hydrogen  2.719  N/A
LEU 340.A N    THR 425.A OG1  no hydrogen  3.159  N/A
THR 341.A N    LEU 333.A O    no hydrogen  2.868  N/A
THR 341.A OG1  PHE 310.A O    no hydrogen  2.793  N/A
THR 341.A OG1  THR 424.A OG1  no hydrogen  3.185  N/A
ILE 342.A N    LEU 423.A O    no hydrogen  2.718  N/A
ILE 343.A N    VAL 331.A O    no hydrogen  2.883  N/A
ILE 344.A N    PHE 421.A O    no hydrogen  2.829  N/A
GLU 345.A N    SER 329.A O    no hydrogen  3.050  N/A
THR 346.A N    GLU 419.A O    no hydrogen  3.066  N/A
THR 346.A OG1  GLU 416.A O    no hydrogen  2.708  N/A
THR 346.A OG1  GLU 419.A O    no hydrogen  3.496  N/A
MET 347.A N    GLU 345.A OE2  no hydrogen  3.027  N/A
SER 348.A N    ASP 418.A OD1  no hydrogen  2.825  N/A
SER 348.A OG   ASP 418.A OD1  no hydrogen  2.773  N/A
SER 348.A OG   ASP 418.A OD2  no hydrogen  3.506  N/A
HIS 349.A NE2  LEU 359.A O    no hydrogen  2.856  N/A
HIS 351.A N    SER 348.A O    no hydrogen  3.190  N/A
HIS 351.A ND1  ASP 418.A OD2  no hydrogen  2.742  N/A
SER 352.A N    HIS 349.A O    no hydrogen  3.405  N/A
SER 352.A OG   SER 348.A O    no hydrogen  2.924  N/A
SER 352.A OG   TYR 362.A OH   no hydrogen  3.157  N/A
CYS 354.A SG   SER 352.A O    no hydrogen  4.039  N/A
TYR 361.A OH   ASN 363.A OD1  no hydrogen  2.410  N/A
TYR 362.A OH   MET 347.A O    no hydrogen  2.715  N/A
TYR 362.A OH   SER 352.A OG   no hydrogen  3.157  N/A
SER 365.A N    LYS 326.A O    no hydrogen  3.220  N/A
GLN 367.A N    LEU 415.A O    no hydrogen  3.166  N/A
GLN 367.A NE2  GLY 327.A O    no hydrogen  2.740  N/A
ALA 369.A N    LEU 413.A O    no hydrogen  3.022  N/A
THR 370.A N    GLY 1.A O      no hydrogen  3.297  N/A
THR 370.A OG1  THR 412.A OG1  no hydrogen  3.287  N/A
PHE 371.A N    PHE 411.A O    no hydrogen  2.882  N/A
THR 372.A N    TYR 3.A O      no hydrogen  3.119  N/A
THR 372.A OG1  SER 410.A OG   no hydrogen  3.353  N/A
LEU 373.A N    GLY 409.A O    no hydrogen  2.623  N/A
LYS 374.A N    LEU 5.A O      no hydrogen  2.908  N/A
SER 376.A N    ASP 7.A OD1    no hydrogen  2.987  N/A
SER 376.A OG   ASP 7.A OD1    no hydrogen  3.165  N/A
SER 376.A OG   ASP 7.A OD2    no hydrogen  2.384  N/A
LEU 377.A N    LYS 374.A O    no hydrogen  3.118  N/A
ARG 378.A N    GLY 375.A O    no hydrogen  3.272  N/A
ILE 380.A N    LEU 377.A O    no hydrogen  3.074  N/A
LEU 383.A N    LEU 402.A O    no hydrogen  3.074  N/A
GLN 384.A N    THR 424.A O    no hydrogen  2.794  N/A
TRP 386.A N    THR 422.A O    no hydrogen  3.020  N/A
TYR 387.A N    LYS 397.A O    no hydrogen  2.863  N/A
TYR 387.A OH   GLU 419.A OE2  no hydrogen  3.118  N/A
THR 388.A N    ILE 420.A O    no hydrogen  3.043  N/A
THR 388.A OG1  HIS 306.A NE2  no hydrogen  2.335  N/A
LYS 389.A N    LEU 394.A O    no hydrogen  2.770  N/A
LYS 389.A NZ   GLU 417.A O    no hydrogen  2.872  N/A
LEU 390.A N    ASP 418.A O    no hydrogen  3.071  N/A
LEU 394.A N    LYS 389.A O    no hydrogen  2.977  N/A
PHE 396.A N    THR 388.A OG1  no hydrogen  2.895  N/A
LYS 397.A N    TYR 387.A O    no hydrogen  2.966  N/A
GLN 398.A NE2  GLN 384.A OE1  no hydrogen  3.696  N/A
LEU 399.A N    VAL 385.A O    no hydrogen  2.953  N/A
THR 401.A OG1  GLN 384.A OE1  no hydrogen  2.957  N/A
LEU 402.A N    LEU 383.A O    no hydrogen  3.008  N/A
LEU 404.A N    GLN 381.A O    no hydrogen  2.930  N/A
GLY 407.A N    LEU 404.A O    no hydrogen  3.404  N/A
SER 410.A OG   PHE 371.A O    no hydrogen  3.073  N/A
SER 410.A OG   THR 372.A OG1  no hydrogen  3.353  N/A
PHE 411.A N    PHE 371.A O    no hydrogen  3.060  N/A
THR 412.A OG1  THR 370.A OG1  no hydrogen  3.287  N/A
LEU 413.A N    ALA 369.A O    no hydrogen  3.000  N/A
LEU 415.A N    GLN 367.A O    no hydrogen  2.861  N/A
GLU 416.A N    GLU 419.A OE1  no hydrogen  3.229  N/A
ASP 418.A N    THR 346.A O    no hydrogen  2.857  N/A
GLU 419.A N    THR 346.A OG1  no hydrogen  3.078  N/A
ILE 420.A N    THR 388.A O    no hydrogen  2.974  N/A
PHE 421.A N    ILE 344.A O    no hydrogen  2.857  N/A
THR 422.A N    TRP 386.A O    no hydrogen  2.902  N/A
THR 422.A OG1  HIS 306.A ND1  no hydrogen  2.836  N/A
THR 422.A OG1  HIS 306.A O    no hydrogen  2.904  N/A
LEU 423.A N    ILE 342.A O    no hydrogen  2.837  N/A
THR 424.A N    GLN 384.A O    no hydrogen  3.100  N/A
THR 424.A OG1  THR 341.A OG1  no hydrogen  3.185  N/A
THR 425.A N    LEU 340.A O    no hydrogen  3.075  N/A
THR 425.A OG1  ASN 339.A OD1  no hydrogen  2.580  N/A
LEU 426.A N    THR 424.A OG1  no hydrogen  2.858  N/A
ARG 430.A N    GLN 309.A OE1  no hydrogen  3.009  N/A
LYS 431.A NZ   HIS 395.A O    no hydrogen  2.842  N/A
GLY 432.A N    PHE 51.A O     no hydrogen  2.889  N/A
TYR 434.A N    TYR 45.A OH    no hydrogen  2.905  N/A
TYR 434.A OH   ASP 44.A OD2   no hydrogen  2.489  N/A
SER 440.A OG   GLU 289.A OE2  no hydrogen  2.841  N/A
LYS 441.A N    GLU 289.A OE1  no hydrogen  3.069  N/A
LYS 441.A NZ   SER 439.A O    no hydrogen  3.162  N/A
TYR 447.A N    VAL 637.A O    no hydrogen  3.001  N/A
ASP 449.A N    PHE 635.A O    no hydrogen  2.835  N/A
PHE 451.A N    ASP 449.A OD1  no hydrogen  2.727  N/A
ASN 452.A N    ASP 450.A OD1  no hydrogen  3.226  N/A
VAL 453.A N    PHE 451.A O    no hydrogen  2.963  N/A
ASN 463.A ND2  TYR 447.A OH   no hydrogen  3.261  N/A
ALA 465.A N    VAL 507.A O    no hydrogen  2.881  N/A
GLN 467.A N    ILE 505.A O    no hydrogen  2.879  N/A
GLN 467.A NE2  ASP 70.A O     no hydrogen  3.166  N/A
GLN 467.A NE2  ALA 465.A O    no hydrogen  3.248  N/A
THR 468.A N    ILE 505.A O    no hydrogen  3.292  N/A
THR 468.A OG1  GLN 467.A O    no hydrogen  2.525  N/A
VAL 470.A N    GLN 488.A OE1  no hydrogen  3.027  N/A
PHE 471.A N    ASP 466.A OD2  no hydrogen  2.887  N/A
GLU 472.A N    ARG 487.A O    no hydrogen  2.811  N/A
TYR 473.A N    SER 459.A O    no hydrogen  2.940  N/A
TYR 474.A N    THR 485.A O    no hydrogen  2.768  N/A
ASN 476.A N    ARG 483.A O    no hydrogen  2.722  N/A
GLU 478.A N    ASN 476.A OD1  no hydrogen  3.004  N/A
ASP 479.A N    ASN 476.A O    no hydrogen  3.186  N/A
HIS 482.A N    ASP 479.A OD1  no hydrogen  2.749  N/A
HIS 482.A ND1  ASP 633.A OD2  no hydrogen  2.895  N/A
THR 485.A N    TYR 474.A O    no hydrogen  2.866  N/A
THR 485.A OG1  GLN 631.A OE1  no hydrogen  2.854  N/A
LEU 486.A N    PHE 632.A O    no hydrogen  2.800  N/A
ARG 487.A N    GLU 472.A O    no hydrogen  2.840  N/A
ARG 487.A NE   GLU 525.A OE2  no hydrogen  2.922  N/A
ARG 487.A NH2  GLU 525.A OE1  no hydrogen  3.005  N/A
ARG 487.A NH2  GLU 525.A OE2  no hydrogen  3.348  N/A
GLN 488.A N    ALA 630.A O    no hydrogen  3.086  N/A
GLN 488.A NE2  LEU 490.A O    no hydrogen  2.921  N/A
GLN 488.A NE2  GLU 628.A O    no hydrogen  2.882  N/A
VAL 489.A N    VAL 470.A O    no hydrogen  2.906  N/A
LEU 490.A N    GLN 488.A OE1  no hydrogen  2.908  N/A
ARG 493.A NH1  ASP 500.A O    no hydrogen  3.509  N/A
ARG 493.A NH1  ALA 501.A O    no hydrogen  3.027  N/A
ARG 493.A NH2  ASP 500.A O    no hydrogen  2.828  N/A
ILE 495.A N    PHE 113.A O    no hydrogen  2.789  N/A
TRP 497.A NE1  ASN 157.A O    no hydrogen  2.848  N/A
ALA 501.A N    THR 468.A OG1  no hydrogen  3.228  N/A
SER 503.A OG   HIS 625.A O    no hydrogen  2.608  N/A
THR 504.A N    THR 624.A O    no hydrogen  3.124  N/A
THR 504.A OG1  THR 624.A OG1  no hydrogen  2.583  N/A
ILE 505.A N    THR 468.A O    no hydrogen  2.883  N/A
SER 506.A N    ILE 622.A O    no hydrogen  2.955  N/A
SER 506.A OG   ASP 466.A OD1  no hydrogen  2.748  N/A
VAL 507.A N    ALA 465.A O    no hydrogen  3.012  N/A
ILE 508.A N    ALA 620.A O    no hydrogen  2.951  N/A
GLY 509.A N    TYR 274.A OH   no hydrogen  3.311  N/A
HIS 511.A NE2  ASN 539.A O    no hydrogen  2.774  N/A
HIS 512.A N    ASP 510.A OD1  no hydrogen  2.954  N/A
HIS 512.A ND1  ASP 510.A OD1  no hydrogen  2.959  N/A
TRP 513.A N    ASP 510.A O    no hydrogen  2.919  N/A
THR 514.A N    ALA 640.A O    no hydrogen  3.256  N/A
THR 514.A OG1  GLY 616.A O    no hydrogen  2.931  N/A
ASN 515.A N    ALA 640.A O    no hydrogen  3.436  N/A
MET 516.A N    ILE 592.A O    no hydrogen  2.901  N/A
THR 517.A N    GLU 638.A O    no hydrogen  2.788  N/A
VAL 518.A N    LEU 590.A O    no hydrogen  2.783  N/A
GLN 519.A N    ARG 636.A O    no hydrogen  2.835  N/A
CYS 520.A N    LEU 588.A O    no hydrogen  3.040  N/A
CYS 520.A SG   ASP 521.A O    no hydrogen  3.438  N/A
CYS 520.A SG   ASP 633.A O    no hydrogen  3.723  N/A
ASP 521.A N    ASP 633.A O    no hydrogen  2.801  N/A
VAL 522.A N    TYR 586.A O    no hydrogen  2.882  N/A
TYR 523.A N    GLN 631.A O    no hydrogen  2.817  N/A
SER 529.A N    PRO 527.A O    no hydrogen  2.609  N/A
SER 529.A OG   PRO 527.A O    no hydrogen  3.569  N/A
GLY 530.A N    THR 526.A O    no hydrogen  3.135  N/A
GLY 531.A N    GLU 628.A OE1  no hydrogen  3.037  N/A
VAL 532.A N    ILE 555.A O    no hydrogen  3.053  N/A
PHE 533.A N    GLY 623.A O    no hydrogen  2.912  N/A
ILE 534.A N    PHE 553.A O    no hydrogen  3.137  N/A
ALA 535.A N    ALA 621.A O    no hydrogen  2.956  N/A
GLY 536.A N    VAL 551.A O    no hydrogen  3.156  N/A
ARG 537.A NE   THR 514.A O    no hydrogen  2.689  N/A
ARG 537.A NH1  GLY 594.A O    no hydrogen  3.162  N/A
ARG 537.A NH2  THR 514.A O    no hydrogen  2.893  N/A
ARG 537.A NH2  GLY 594.A O    no hydrogen  3.077  N/A
VAL 538.A N    TRP 619.A O    no hydrogen  3.013  N/A
ASN 539.A N    THR 549.A O    no hydrogen  3.229  N/A
GLY 542.A N    GLN 467.A OE1  no hydrogen  2.813  N/A
ILE 543.A N    THR 69.A O     no hydrogen  2.959  N/A
LEU 544.A N    GLY 541.A O    no hydrogen  3.129  N/A
ILE 545.A N    GLY 542.A O    no hydrogen  2.999  N/A
ARG 546.A NE   ASP 500.A O    no hydrogen  3.159  N/A
ARG 546.A NH2  SER 502.A OG   no hydrogen  3.172  N/A
SER 547.A N    LEU 544.A O    no hydrogen  2.617  N/A
SER 547.A OG   LEU 544.A O    no hydrogen  3.210  N/A
ALA 548.A N    ILE 545.A O    no hydrogen  3.137  N/A
THR 549.A N    ASN 539.A OD1  no hydrogen  2.827  N/A
GLY 550.A N    ALA 565.A O    no hydrogen  2.698  N/A
VAL 551.A N    GLY 536.A O    no hydrogen  2.895  N/A
PHE 552.A N    THR 564.A O    no hydrogen  2.904  N/A
PHE 553.A N    ILE 534.A O    no hydrogen  2.878  N/A
TRP 554.A N    ARG 562.A O    no hydrogen  2.911  N/A
TRP 554.A NE1  THR 564.A OG1  no hydrogen  3.034  N/A
ILE 555.A N    VAL 532.A O    no hydrogen  3.008  N/A
PHE 556.A N    SER 560.A O    no hydrogen  2.930  N/A
ALA 557.A N    GLY 530.A O    no hydrogen  2.875  N/A
GLY 559.A N    PHE 556.A O    no hydrogen  3.186  N/A
TYR 561.A N    GLY 576.A O    no hydrogen  2.892  N/A
ARG 562.A N    TRP 554.A O    no hydrogen  3.110  N/A
VAL 563.A N    ALA 574.A O    no hydrogen  2.655  N/A
THR 564.A N    PHE 552.A O    no hydrogen  3.009  N/A
THR 564.A OG1  ASP 566.A O    no hydrogen  2.857  N/A
ALA 565.A N    ILE 571.A O    no hydrogen  3.073  N/A
LEU 567.A N    ALA 548.A O    no hydrogen  3.031  N/A
GLY 569.A N    ASP 566.A O    no hydrogen  2.990  N/A
TRP 570.A N    ASP 566.A OD2  no hydrogen  2.736  N/A
ILE 571.A N    ASP 566.A OD1  no hydrogen  2.870  N/A
TYR 573.A N    VAL 563.A O    no hydrogen  2.734  N/A
ALA 574.A N    VAL 563.A O    no hydrogen  3.303  N/A
GLY 576.A N    TYR 561.A O    no hydrogen  3.202  N/A
ALA 578.A N    GLY 559.A O    no hydrogen  3.409  N/A
VAL 580.A N    ALA 578.A O    no hydrogen  2.791  N/A
THR 581.A N    TYR 586.A OH   no hydrogen  2.689  N/A
LYS 583.A N    ILE 524.A O    no hydrogen  2.806  N/A
TYR 586.A N    VAL 522.A O    no hydrogen  3.127  N/A
THR 587.A N    ASN 602.A OD1  no hydrogen  2.905  N/A
THR 587.A OG1  ASP 521.A OD1  no hydrogen  2.430  N/A
LEU 588.A N    CYS 520.A O    no hydrogen  2.818  N/A
THR 589.A N    MET 600.A O    no hydrogen  3.105  N/A
LEU 590.A N    VAL 518.A O    no hydrogen  2.760  N/A
GLY 591.A N    PHE 598.A O    no hydrogen  2.926  N/A
ILE 592.A N    MET 516.A O    no hydrogen  2.791  N/A
LYS 593.A N    PHE 596.A O    no hydrogen  2.997  N/A
GLY 594.A N    ASN 515.A OD1  no hydrogen  2.978  N/A
PHE 596.A N    LYS 593.A O    no hydrogen  3.140  N/A
ALA 597.A N    VAL 610.A O    no hydrogen  2.892  N/A
PHE 598.A N    GLY 591.A O    no hydrogen  2.926  N/A
GLY 599.A N    TRP 607.A O    no hydrogen  2.838  N/A
MET 600.A N    THR 589.A O    no hydrogen  2.851  N/A
LEU 601.A N    THR 604.A O    no hydrogen  2.961  N/A
ASN 602.A N    THR 587.A O    no hydrogen  2.858  N/A
THR 604.A N    LEU 601.A O    no hydrogen  2.982  N/A
LEU 606.A N    GLY 599.A O    no hydrogen  2.798  N/A
TRP 607.A N    GLY 599.A O    no hydrogen  3.299  N/A
VAL 610.A N    ALA 597.A O    no hydrogen  3.024  N/A
VAL 612.A N    TYR 595.A O    no hydrogen  2.756  N/A
LYS 613.A N    TYR 573.A OH   no hydrogen  3.169  N/A
HIS 617.A ND1  HIS 511.A O    no hydrogen  3.076  N/A
GLY 618.A N    TRP 513.A O    no hydrogen  2.972  N/A
TRP 619.A N    VAL 538.A O    no hydrogen  3.065  N/A
ALA 620.A N    ILE 508.A O    no hydrogen  3.085  N/A
ALA 621.A N    ALA 535.A O    no hydrogen  2.877  N/A
ILE 622.A N    SER 506.A O    no hydrogen  3.199  N/A
GLY 623.A N    PHE 533.A O    no hydrogen  3.275  N/A
THR 624.A N    THR 504.A O    no hydrogen  3.296  N/A
THR 624.A N    THR 504.A OG1  no hydrogen  3.047  N/A
THR 624.A OG1  THR 504.A OG1  no hydrogen  2.583  N/A
THR 624.A OG1  THR 626.A O    no hydrogen  2.534  N/A
HIS 625.A N    GLY 531.A O    no hydrogen  2.845  N/A
THR 626.A N    GLU 628.A OE2  no hydrogen  2.958  N/A
PHE 627.A N    THR 626.A OG1  no hydrogen  2.504  N/A
GLN 631.A N    TYR 523.A O    no hydrogen  2.896  N/A
GLN 631.A NE2  GLU 525.A OE2  no hydrogen  2.951  N/A
PHE 632.A N    LEU 486.A O    no hydrogen  2.706  N/A
ASP 633.A N    ASP 521.A O    no hydrogen  2.911  N/A
ASN 634.A N    ASP 633.A OD1  no hydrogen  2.729  N/A
ASN 634.A ND2  ASP 521.A OD2  no hydrogen  2.604  N/A
PHE 635.A N    ASP 449.A O    no hydrogen  2.825  N/A
ARG 636.A N    GLN 519.A O    no hydrogen  2.834  N/A
VAL 637.A N    TYR 447.A O    no hydrogen  2.894  N/A
GLU 638.A N    THR 517.A O    no hydrogen  2.949  N/A
ALA 639.A N    THR 445.A O    no hydrogen  2.809  N/A
ALA 640.A N    ASN 515.A O    no hydrogen  2.761  N/A
ARG 641.A NH1  ASP 510.A OD2  no hydrogen  2.694  N/A