Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
	#0 1j3j_C.cif

H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
GLU 5.A N      ASP 2.A O      no hydrogen  3.244  N/A
ASP 6.A N      ASP 2.A O      no hydrogen  3.231  N/A
ASP 7.A N      GLU 3.A O      no hydrogen  2.902  N/A
VAL 9.A N      GLU 5.A O      no hydrogen  3.333  N/A
TYR 10.A N     ASP 6.A O      no hydrogen  3.011  N/A
PHE 11.A N     ASP 7.A O      no hydrogen  2.888  N/A
ASN 12.A N     PHE 8.A O      no hydrogen  3.284  N/A
ASN 12.A ND2   PHE 8.A O      no hydrogen  2.603  N/A
PHE 13.A N     TYR 10.A O     no hydrogen  2.670  N/A
LYS 20.A NZ    ASN 58.A OD1   no hydrogen  2.940  N/A
ASN 21.A N     MET 55.A O     no hydrogen  3.412  N/A
ASN 21.A ND2   MET 54.A O     no hydrogen  2.883  N/A
ASN 21.A ND2   GLY 57.A O     no hydrogen  3.540  N/A
LYS 22.A N     GLU 19.A O     no hydrogen  3.067  N/A
SER 24.A OG    ASN 21.A O     no hydrogen  2.475  N/A
ILE 25.A N     ASN 21.A O     no hydrogen  2.531  N/A
HIS 26.A N     LYS 22.A O     no hydrogen  2.681  N/A
ASP 29.A N     HIS 26.A O     no hydrogen  3.269  N/A
PHE 30.A N     PRO 27.A O     no hydrogen  2.778  N/A
ILE 32.A N     ASN 283.A OD1  no hydrogen  3.205  N/A
TYR 33.A N     ASN 283.A OD1  no hydrogen  3.437  N/A
TYR 33.A OH    ASN 48.A OD1   no hydrogen  2.693  N/A
ASN 34.A N     PHE 30.A O     no hydrogen  2.683  N/A
SER 35.A N     GLN 31.A O     no hydrogen  3.012  N/A
SER 35.A N     ILE 32.A O     no hydrogen  3.219  N/A
SER 35.A OG    GLN 31.A O     no hydrogen  3.509  N/A
SER 35.A OG    ILE 32.A O     no hydrogen  2.740  N/A
LYS 39.A NZ    TYR 33.A O     no hydrogen  3.099  N/A
HIS 41.A NE2   TYR 287.A O    no hydrogen  2.904  N/A
GLU 43.A N     HIS 41.A ND1   no hydrogen  2.852  N/A
TYR 44.A N     HIS 41.A O     no hydrogen  2.879  N/A
GLN 45.A N     PRO 42.A O     no hydrogen  2.879  N/A
GLN 45.A NE2   LYS 77.A O     no hydrogen  2.497  N/A
TYR 46.A N     GLU 43.A O     no hydrogen  3.005  N/A
TYR 46.A OH    LEU 232.A O    no hydrogen  2.574  N/A
LEU 47.A N     GLU 43.A O     no hydrogen  3.071  N/A
ASN 48.A N     TYR 44.A O     no hydrogen  2.708  N/A
ILE 50.A N     TYR 46.A O     no hydrogen  3.248  N/A
TYR 51.A N     LEU 47.A O     no hydrogen  2.939  N/A
ASP 52.A N     ASN 48.A O     no hydrogen  2.814  N/A
ILE 53.A N     ILE 49.A O     no hydrogen  2.841  N/A
MET 54.A N     ILE 50.A O     no hydrogen  2.962  N/A
MET 55.A N     TYR 51.A O     no hydrogen  2.970  N/A
ASN 56.A N     ASP 52.A O     no hydrogen  2.666  N/A
ASN 56.A ND2   ASP 52.A OD1   no hydrogen  2.721  N/A
GLY 57.A N     ILE 53.A O     no hydrogen  2.622  N/A
ASN 58.A N     SER 70.A O     no hydrogen  2.871  N/A
GLN 60.A N     VAL 68.A O     no hydrogen  3.007  N/A
ARG 63.A N     ASP 62.A OD1   no hydrogen  2.308  N/A
VAL 66.A N     ARG 63.A O     no hydrogen  3.165  N/A
VAL 68.A N     GLN 60.A O     no hydrogen  2.733  N/A
LEU 69.A N     VAL 270.A O    no hydrogen  2.962  N/A
SER 70.A N     ASN 58.A O     no hydrogen  2.781  N/A
SER 70.A OG    GLN 60.A OE1   no hydrogen  2.603  N/A
LYS 71.A N     ALA 268.A O    no hydrogen  2.877  N/A
GLY 73.A N     GLY 266.A O    no hydrogen  2.923  N/A
TYR 74.A N     LEU 265.A O    no hydrogen  2.995  N/A
TYR 74.A OH    ASP 52.A OD2   no hydrogen  2.531  N/A
MET 76.A N     HIS 263.A O    no hydrogen  2.868  N/A
LYS 77.A N     GLN 45.A OE1   no hydrogen  2.859  N/A
PHE 78.A N     PHE 261.A O    no hydrogen  2.860  N/A
ASP 79.A N     TYR 83.A OH    no hydrogen  3.105  N/A
SER 81.A N     ASP 79.A OD1   no hydrogen  2.939  N/A
SER 81.A OG    ASP 79.A OD1   no hydrogen  2.584  N/A
GLN 82.A N     ASP 79.A O     no hydrogen  2.882  N/A
TYR 83.A N     ASP 79.A O     no hydrogen  3.174  N/A
PHE 84.A N     PRO 290.A O    no hydrogen  3.061  N/A
LEU 86.A N     PHE 84.A O     no hydrogen  2.882  N/A
THR 88.A N     GLU 43.A OE1   no hydrogen  2.680  N/A
THR 88.A OG1   GLU 43.A OE1   no hydrogen  2.715  N/A
THR 88.A OG1   TYR 287.A O    no hydrogen  3.514  N/A
THR 89.A N     GLU 43.A OE2   no hydrogen  2.835  N/A
THR 89.A OG1   GLU 43.A OE2   no hydrogen  2.478  N/A
LYS 90.A NZ    GLY 233.A O    no hydrogen  2.812  N/A
LEU 92.A N     TYR 314.A OH   no hydrogen  3.095  N/A
ARG 95.A NH1   LYS 117.A O    no hydrogen  2.974  N/A
ARG 95.A NH2   LYS 117.A O    no hydrogen  3.304  N/A
ARG 95.A NH2   ASN 118.A O    no hydrogen  3.378  N/A
ILE 98.A N     LEU 94.A O     no hydrogen  2.995  N/A
GLU 99.A N     ARG 95.A O     no hydrogen  3.013  N/A
GLU 100.A N    GLY 96.A O     no hydrogen  2.909  N/A
LEU 101.A N    ILE 97.A O     no hydrogen  3.020  N/A
LEU 102.A N    ILE 98.A O     no hydrogen  2.974  N/A
TRP 103.A N    GLU 99.A O     no hydrogen  2.867  N/A
TRP 103.A NE1  ASN 110.A O    no hydrogen  3.068  N/A
PHE 104.A N    GLU 100.A O    no hydrogen  2.761  N/A
ILE 105.A N    LEU 101.A O    no hydrogen  2.918  N/A
ARG 106.A N    LEU 102.A O    no hydrogen  2.929  N/A
ARG 106.A N    TRP 103.A O    no hydrogen  3.184  N/A
ARG 106.A NE   GLU 108.A OE2  no hydrogen  2.744  N/A
ARG 106.A NH2  GLU 108.A OE2  no hydrogen  3.061  N/A
GLY 107.A N    PHE 104.A O    no hydrogen  2.739  N/A
GLU 108.A N    TRP 103.A O    no hydrogen  3.236  N/A
THR 109.A OG1  TYR 159.A OH   no hydrogen  2.785  N/A
GLY 111.A N    ASN 142.A O    no hydrogen  2.844  N/A
ASN 112.A N    ASN 110.A OD1  no hydrogen  2.753  N/A
THR 113.A N    ASN 110.A O    no hydrogen  3.181  N/A
THR 113.A OG1  GLU 108.A OE1  no hydrogen  2.667  N/A
LEU 115.A N    GLY 111.A O    no hydrogen  3.099  N/A
ASN 116.A N    ASN 112.A O    no hydrogen  2.842  N/A
LYS 117.A N    LEU 114.A O    no hydrogen  2.694  N/A
ASN 118.A N    LEU 115.A O    no hydrogen  2.914  N/A
VAL 119.A N    LEU 114.A O    no hydrogen  3.154  N/A
TRP 122.A NE1  GLU 100.A OE2  no hydrogen  2.718  N/A
GLU 123.A N    ARG 120.A O    no hydrogen  3.179  N/A
ASN 125.A N    TRP 122.A O    no hydrogen  3.251  N/A
GLY 126.A N    GLU 123.A O    no hydrogen  3.073  N/A
ARG 128.A NE   ARG 128.A O    no hydrogen  3.164  N/A
ARG 128.A NE   ASP 132.A OD1  no hydrogen  3.055  N/A
ARG 128.A NE   ASP 132.A OD2  no hydrogen  3.403  N/A
ARG 128.A NH1  ARG 139.A O    no hydrogen  2.859  N/A
ARG 128.A NH2  ASP 132.A OD1  no hydrogen  3.016  N/A
ARG 128.A NH2  ARG 139.A O    no hydrogen  3.023  N/A
PHE 130.A N    THR 127.A OG1  no hydrogen  2.923  N/A
LEU 131.A N    THR 127.A O    no hydrogen  2.877  N/A
ASP 132.A N    ARG 128.A O    no hydrogen  2.925  N/A
ASN 133.A N    GLU 129.A O    no hydrogen  2.967  N/A
ASN 133.A ND2  GLU 129.A O    no hydrogen  2.859  N/A
ARG 134.A N    LEU 131.A O    no hydrogen  3.031  N/A
ARG 134.A NE   MET 203.A O    no hydrogen  3.301  N/A
ARG 134.A NH2  MET 203.A O    no hydrogen  2.962  N/A
LYS 135.A N    ASP 132.A O    no hydrogen  2.672  N/A
LEU 136.A N    LEU 131.A O    no hydrogen  2.739  N/A
ARG 139.A N    LEU 136.A O    no hydrogen  3.306  N/A
ARG 139.A NH1  ASP 143.A O    no hydrogen  3.479  N/A
ARG 139.A NH1  GLN 202.A O    no hydrogen  2.899  N/A
ARG 139.A NH2  GLN 202.A O    no hydrogen  2.739  N/A
ASN 142.A N    GLY 126.A O    no hydrogen  2.621  N/A
ASP 143.A N    GLU 140.A O    no hydrogen  2.955  N/A
LEU 144.A N    THR 109.A O    no hydrogen  3.166  N/A
GLY 145.A N    ASP 143.A OD1  no hydrogen  3.115  N/A
ILE 147.A N    GLY 145.A O    no hydrogen  2.871  N/A
GLN 151.A N    ILE 147.A O    no hydrogen  3.068  N/A
GLN 151.A NE2  PRO 146.A O    no hydrogen  2.930  N/A
GLN 151.A NE2  ASP 199.A OD2  no hydrogen  3.070  N/A
TRP 152.A N    TYR 148.A O    no hydrogen  2.794  N/A
ARG 153.A N    GLY 149.A O    no hydrogen  3.241  N/A
ARG 153.A NE   ASP 172.A OD1  no hydrogen  2.795  N/A
ARG 153.A NH1  ILE 105.A O    no hydrogen  2.771  N/A
ARG 153.A NH1  GLU 302.A OE2  no hydrogen  3.239  N/A
ARG 153.A NH2  ASP 172.A OD1  no hydrogen  3.454  N/A
ARG 153.A NH2  ASP 172.A OD2  no hydrogen  2.782  N/A
ARG 153.A NH2  GLU 302.A OE2  no hydrogen  3.260  N/A
HIS 154.A N    PHE 150.A O    no hydrogen  2.652  N/A
HIS 154.A ND1  LYS 169.A O    no hydrogen  2.797  N/A
PHE 155.A N    GLN 151.A O    no hydrogen  3.255  N/A
ALA 157.A N    HIS 154.A O    no hydrogen  2.970  N/A
TYR 159.A OH   THR 109.A OG1  no hydrogen  2.785  N/A
TYR 159.A OH   ASP 143.A OD1  no hydrogen  2.529  N/A
THR 160.A N    TYR 166.A OH   no hydrogen  2.834  N/A
THR 160.A OG1  ASP 164.A OD2  no hydrogen  2.530  N/A
THR 160.A OG1  TYR 166.A OH   no hydrogen  3.086  N/A
MET 162.A N    ASP 143.A OD2  no hydrogen  2.827  N/A
TYR 163.A N    ASN 161.A OD1  no hydrogen  2.703  N/A
TYR 163.A OH   GLU 140.A OE2  no hydrogen  3.269  N/A
ASP 164.A N    ASN 161.A O    no hydrogen  3.417  N/A
ASP 164.A N    ASN 161.A OD1  no hydrogen  3.180  N/A
ASN 165.A ND2  GLU 167.A OE1  no hydrogen  3.338  N/A
TYR 166.A OH   THR 160.A OG1  no hydrogen  3.086  N/A
TYR 166.A OH   ASN 161.A O    no hydrogen  2.825  N/A
GLU 167.A N    ASN 165.A OD1  no hydrogen  2.893  N/A
LYS 169.A N    TYR 166.A O    no hydrogen  2.965  N/A
VAL 171.A N    PHE 155.A O    no hydrogen  2.754  N/A
GLN 173.A NE2  GLN 151.A O    no hydrogen  2.822  N/A
GLN 173.A NE2  CYS 193.A O    no hydrogen  2.870  N/A
LEU 174.A N    TRP 152.A O    no hydrogen  3.068  N/A
LYS 175.A N    ASP 172.A OD1  no hydrogen  3.028  N/A
LYS 175.A NZ   GLU 302.A OE1  no hydrogen  2.632  N/A
ASN 176.A N    ASP 172.A O    no hydrogen  3.064  N/A
ILE 177.A N    GLN 173.A O    no hydrogen  2.744  N/A
ILE 178.A N    LEU 174.A O    no hydrogen  3.234  N/A
ASN 179.A N    LYS 175.A O    no hydrogen  3.056  N/A
LEU 180.A N    ASN 176.A O    no hydrogen  3.080  N/A
ILE 181.A N    ILE 177.A O    no hydrogen  3.162  N/A
LYS 182.A N    ILE 178.A O    no hydrogen  3.153  N/A
ASN 183.A N    ASN 179.A O    no hydrogen  2.808  N/A
ASP 184.A N    LEU 180.A O    no hydrogen  2.643  N/A
SER 187.A N    ASP 184.A O    no hydrogen  3.409  N/A
ARG 189.A N    SER 187.A OG   no hydrogen  2.996  N/A
LEU 191.A N    ARG 189.A O    no hydrogen  3.032  N/A
LEU 192.A N    CYS 212.A O    no hydrogen  2.877  N/A
CYS 193.A N    GLN 173.A OE1  no hydrogen  2.885  N/A
CYS 193.A SG   TRP 195.A O    no hydrogen  3.877  N/A
CYS 193.A SG   ILE 210.A O    no hydrogen  3.887  N/A
ALA 194.A N    ILE 210.A O    no hydrogen  2.927  N/A
ASN 196.A N    ALA 194.A O    no hydrogen  3.043  N/A
ASN 196.A ND2  GLN 151.A OE1  no hydrogen  2.890  N/A
LYS 198.A N    ASN 196.A OD1  no hydrogen  3.174  N/A
LYS 198.A NZ   GLU 158.A OE2  no hydrogen  3.377  N/A
ASP 199.A N    ASN 196.A O    no hydrogen  2.924  N/A
GLN 202.A N    ASP 199.A O    no hydrogen  2.910  N/A
GLN 202.A NE2  LYS 198.A O    no hydrogen  3.614  N/A
MET 203.A N    LEU 200.A O    no hydrogen  3.033  N/A
ALA 204.A N    LEU 144.A O    no hydrogen  2.939  N/A
CYS 208.A N    TYR 148.A OH   no hydrogen  2.960  N/A
HIS 209.A N    TYR 148.A OH   no hydrogen  3.111  N/A
ILE 210.A N    TYR 226.A O    no hydrogen  3.091  N/A
CYS 212.A N    LEU 192.A O    no hydrogen  2.869  N/A
GLN 213.A N    ILE 224.A O    no hydrogen  2.740  N/A
PHE 214.A N    ILE 190.A O    no hydrogen  2.936  N/A
TYR 215.A N    SER 222.A O    no hydrogen  3.039  N/A
PHE 217.A N    LYS 220.A O    no hydrogen  3.089  N/A
LYS 220.A N    PHE 217.A O    no hydrogen  3.005  N/A
LEU 221.A N    GLN 257.A O    no hydrogen  2.918  N/A
SER 222.A N    TYR 215.A O    no hydrogen  2.854  N/A
CYS 223.A N    GLN 260.A O    no hydrogen  2.760  N/A
CYS 223.A SG   GLN 213.A O    no hydrogen  3.911  N/A
CYS 223.A SG   ILE 224.A O    no hydrogen  3.750  N/A
ILE 224.A N    GLN 213.A O    no hydrogen  2.864  N/A
MET 225.A N    ILE 262.A O    no hydrogen  2.908  N/A
TYR 226.A N    LEU 211.A O    no hydrogen  3.001  N/A
GLN 227.A N    VAL 264.A O    no hydrogen  2.865  N/A
GLN 227.A NE2  SER 229.A O    no hydrogen  3.111  N/A
GLN 227.A NE2  ASN 239.A OD1  no hydrogen  2.821  N/A
ARG 228.A N    CYS 208.A O    no hydrogen  3.008  N/A
ARG 228.A NE   PRO 207.A O    no hydrogen  2.667  N/A
ARG 228.A NH2  PRO 206.A O    no hydrogen  2.932  N/A
CYS 230.A N    ASN 267.A O    no hydrogen  2.743  N/A
CYS 230.A SG   GLN 227.A O    no hydrogen  3.640  N/A
CYS 230.A SG   ASN 267.A O    no hydrogen  3.694  N/A
LEU 232.A N    HIS 269.A O    no hydrogen  3.032  N/A
LEU 234.A N    ASP 231.A OD1  no hydrogen  3.210  N/A
VAL 236.A N    ASP 231.A O    no hydrogen  2.845  N/A
ASN 239.A N    GLY 235.A O    no hydrogen  3.018  N/A
ILE 240.A N    VAL 236.A O    no hydrogen  2.943  N/A
SER 242.A N    PHE 238.A O    no hydrogen  2.772  N/A
TYR 243.A N    ASN 239.A O    no hydrogen  3.059  N/A
SER 244.A N    ILE 240.A O    no hydrogen  3.090  N/A
SER 244.A OG   ILE 240.A O    no hydrogen  2.770  N/A
ILE 245.A N    ALA 241.A O    no hydrogen  2.975  N/A
PHE 246.A N    SER 242.A O    no hydrogen  3.096  N/A
THR 247.A N    TYR 243.A O    no hydrogen  2.871  N/A
THR 247.A OG1  TYR 243.A O    no hydrogen  2.821  N/A
HIS 248.A N    SER 244.A O    no hydrogen  3.113  N/A
MET 249.A N    ILE 245.A O    no hydrogen  2.938  N/A
ILE 250.A N    PHE 246.A O    no hydrogen  2.952  N/A
ALA 251.A N    THR 247.A O    no hydrogen  2.957  N/A
GLN 252.A N    HIS 248.A O    no hydrogen  2.894  N/A
GLN 252.A NE2  ASN 295.A O    no hydrogen  2.965  N/A
GLN 252.A NE2  ILE 298.A O    no hydrogen  2.900  N/A
VAL 253.A N    MET 249.A O    no hydrogen  3.187  N/A
CYS 254.A N    ALA 251.A O    no hydrogen  3.144  N/A
CYS 254.A SG   ILE 178.A O    no hydrogen  3.788  N/A
CYS 254.A SG   ILE 250.A O    no hydrogen  3.396  N/A
ASN 255.A N    GLN 252.A O    no hydrogen  3.018  N/A
LEU 256.A N    ALA 251.A O    no hydrogen  2.805  N/A
GLN 257.A N    GLY 219.A O    no hydrogen  3.042  N/A
ALA 259.A N    LEU 221.A O    no hydrogen  2.886  N/A
GLN 260.A N    SER 222.A OG   no hydrogen  3.167  N/A
PHE 261.A N    PHE 78.A O     no hydrogen  2.910  N/A
ILE 262.A N    CYS 223.A O    no hydrogen  2.664  N/A
HIS 263.A N    MET 76.A O     no hydrogen  2.827  N/A
HIS 263.A NE2  GLN 227.A OE1  no hydrogen  2.603  N/A
VAL 264.A N    MET 225.A O    no hydrogen  2.885  N/A
LEU 265.A N    TYR 74.A O     no hydrogen  2.748  N/A
GLY 266.A N    GLN 227.A O    no hydrogen  2.774  N/A
ASN 267.A N    ARG 228.A O    no hydrogen  2.987  N/A
ALA 268.A N    LYS 71.A O     no hydrogen  2.910  N/A
HIS 269.A N    CYS 230.A O    no hydrogen  2.942  N/A
HIS 269.A ND1  ASN 267.A OD1  no hydrogen  2.863  N/A
VAL 270.A N    LEU 69.A O     no hydrogen  2.868  N/A
TYR 271.A OH   ASP 62.A OD2   no hydrogen  2.867  N/A
ASN 272.A N    GLY 67.A O     no hydrogen  3.307  N/A
HIS 274.A N    TYR 271.A O    no hydrogen  2.800  N/A
ILE 275.A N    ASN 272.A O    no hydrogen  3.061  N/A
SER 277.A OG   SER 321.A O    no hydrogen  2.828  N/A
SER 277.A OG   MET 322.A O    no hydrogen  3.367  N/A
LEU 278.A N    HIS 274.A O    no hydrogen  2.847  N/A
LYS 279.A N    ILE 275.A O    no hydrogen  2.827  N/A
LYS 279.A NZ   ILE 25.A O     no hydrogen  3.083  N/A
LYS 279.A NZ   ASP 29.A OD2   no hydrogen  3.222  N/A
ILE 280.A N    ASP 276.A O    no hydrogen  3.226  N/A
GLN 281.A N    SER 277.A O    no hydrogen  3.062  N/A
GLN 281.A NE2  THR 89.A OG1   no hydrogen  2.792  N/A
LEU 282.A N    LEU 278.A O    no hydrogen  2.905  N/A
ASN 283.A N    ILE 280.A O    no hydrogen  3.103  N/A
ASN 283.A ND2  ASP 29.A O     no hydrogen  2.551  N/A
ASN 283.A ND2  LYS 279.A O    no hydrogen  2.844  N/A
ARG 284.A N    GLN 281.A O    no hydrogen  2.933  N/A
ARG 284.A NH1  THR 89.A O     no hydrogen  3.236  N/A
ARG 284.A NH1  GLU 318.A O    no hydrogen  2.768  N/A
TYR 287.A N    THR 88.A OG1   no hydrogen  2.960  N/A
THR 291.A N    GLN 312.A O    no hydrogen  2.950  N/A
THR 291.A OG1  GLN 312.A OE1  no hydrogen  3.304  N/A
LYS 293.A N    THR 310.A O    no hydrogen  2.820  N/A
ASN 295.A N    ASP 308.A O    no hydrogen  2.885  N/A
ASN 295.A ND2  ASP 308.A OD1  no hydrogen  2.838  N/A
ASP 297.A N    ASN 295.A OD1  no hydrogen  2.799  N/A
ILE 298.A N    ASN 295.A O    no hydrogen  3.466  N/A
LYS 299.A NZ   GLN 252.A O    no hydrogen  3.368  N/A
ASN 300.A ND2  ASP 303.A OD2  no hydrogen  3.218  N/A
ASP 303.A N    ASN 300.A O    no hydrogen  2.827  N/A
THR 305.A N    ASP 308.A OD2  no hydrogen  2.822  N/A
THR 305.A OG1  ASP 308.A OD2  no hydrogen  3.125  N/A
ASP 308.A N    THR 305.A O    no hydrogen  2.923  N/A
THR 310.A N    LYS 293.A O    no hydrogen  3.025  N/A
GLN 312.A N    THR 291.A O    no hydrogen  2.703  N/A
TYR 314.A OH   LEU 87.A O     no hydrogen  2.685  N/A
HIS 316.A ND1  HIS 317.A O    no hydrogen  2.756  N/A
HIS 317.A N    THR 88.A O     no hydrogen  2.787  N/A
HIS 317.A NE2  ILE 285.A O    no hydrogen  2.894  N/A