Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
	#0 2yiw_A.cif

H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
ARG 1.A NH1    PRO 2.A O      no hydrogen  2.980  N/A
ARG 1.A NH2    PRO 85.A O     no hydrogen  2.701  N/A
TYR 5.A N      VAL 16.A O     no hydrogen  3.156  N/A
TYR 5.A OH     TYR 20.A O     no hydrogen  2.729  N/A
LEU 9.A N      THR 12.A O     no hydrogen  2.744  N/A
THR 12.A N     LEU 9.A O      no hydrogen  3.286  N/A
TRP 14.A N     GLN 7.A O      no hydrogen  2.787  N/A
GLU 15.A N     TYR 96.A OH    no hydrogen  2.934  N/A
VAL 16.A N     TYR 5.A O      no hydrogen  3.219  N/A
GLU 18.A N     THR 3.A O      no hydrogen  2.803  N/A
ARG 19.A N     GLU 18.A OE1   no hydrogen  2.800  N/A
ARG 19.A NE    ASP 36.A OD1   no hydrogen  2.996  N/A
ARG 19.A NH2   ASP 36.A OD1   no hydrogen  3.091  N/A
ARG 19.A NH2   ASP 36.A OD2   no hydrogen  2.888  N/A
TYR 20.A N     PRO 17.A O     no hydrogen  3.228  N/A
TYR 20.A OH    ASP 81.A OD2   no hydrogen  2.619  N/A
GLN 21.A N     PHE 35.A O     no hydrogen  2.940  N/A
GLN 21.A NE2   GLU 18.A O     no hydrogen  2.752  N/A
SER 24.A N     ALA 33.A O     no hydrogen  2.776  N/A
VAL 26.A N     VAL 31.A O     no hydrogen  2.835  N/A
GLY 27.A N     VAL 31.A O     no hydrogen  3.367  N/A
SER 28.A OG    SER 30.A OG    no hydrogen  3.326  N/A
SER 30.A N     LYS 47.A O     no hydrogen  3.295  N/A
SER 30.A OG    SER 28.A OG    no hydrogen  3.326  N/A
VAL 31.A N     GLY 27.A O     no hydrogen  2.734  N/A
CYS 32.A N     VAL 45.A O     no hydrogen  2.928  N/A
ALA 33.A N     SER 24.A O     no hydrogen  2.657  N/A
ALA 34.A N     VAL 43.A O     no hydrogen  2.839  N/A
PHE 35.A N     GLN 21.A O     no hydrogen  2.841  N/A
ASP 36.A N     LEU 41.A O     no hydrogen  2.945  N/A
THR 37.A N     ARG 19.A O     no hydrogen  2.948  N/A
THR 37.A OG1   ARG 19.A O     no hydrogen  3.057  N/A
LYS 38.A N     ASP 36.A OD1   no hydrogen  3.122  N/A
THR 39.A OG1   ASP 36.A OD2   no hydrogen  2.570  N/A
GLY 40.A N     ASP 36.A O     no hydrogen  2.744  N/A
VAL 43.A N     ALA 34.A O     no hydrogen  2.850  N/A
ALA 44.A N     THR 99.A O     no hydrogen  2.715  N/A
VAL 45.A N     CYS 32.A O     no hydrogen  2.798  N/A
LYS 46.A N     LEU 97.A O     no hydrogen  2.686  N/A
LYS 46.A NZ    GLU 64.A OE1   no hydrogen  2.768  N/A
LYS 46.A NZ    GLU 64.A OE2   no hydrogen  3.036  N/A
LYS 47.A N     SER 30.A O     no hydrogen  2.838  N/A
LYS 47.A NZ    ILE 13.A O     no hydrogen  2.719  N/A
LEU 48.A N     VAL 95.A O     no hydrogen  2.774  N/A
ARG 50.A NH1   GLN 53.A OE1   no hydrogen  3.389  N/A
SER 54.A OG    HIS 57.A ND1   no hydrogen  2.687  N/A
HIS 57.A N     SER 54.A OG    no hydrogen  3.103  N/A
HIS 57.A ND1   SER 54.A OG    no hydrogen  2.687  N/A
ALA 58.A N     SER 54.A O     no hydrogen  2.870  N/A
LYS 59.A N     ILE 55.A O     no hydrogen  2.836  N/A
LYS 59.A NZ    GLU 301.A O    no hydrogen  2.653  N/A
LYS 59.A NZ    ARG 303.A O    no hydrogen  2.927  N/A
ARG 60.A N     ILE 56.A O     no hydrogen  3.041  N/A
THR 61.A N     HIS 57.A O     no hydrogen  2.821  N/A
THR 61.A OG1   PRO 51.A O     no hydrogen  2.843  N/A
THR 61.A OG1   HIS 57.A O     no hydrogen  2.905  N/A
TYR 62.A N     ALA 58.A O     no hydrogen  3.138  N/A
ARG 63.A N     LYS 59.A O     no hydrogen  2.883  N/A
ARG 63.A NE    GLU 301.A OE1  no hydrogen  3.249  N/A
ARG 63.A NE    GLU 301.A OE2  no hydrogen  2.875  N/A
ARG 63.A NH2   GLU 301.A OE1  no hydrogen  2.755  N/A
GLU 64.A N     ARG 60.A O     no hydrogen  2.929  N/A
LEU 65.A N     THR 61.A O     no hydrogen  3.107  N/A
ARG 66.A N     TYR 62.A O     no hydrogen  2.885  N/A
ARG 66.A NH1   TYR 62.A OH    no hydrogen  2.901  N/A
ARG 66.A NH2   ASP 297.A O    no hydrogen  2.524  N/A
LEU 67.A N     ARG 63.A O     no hydrogen  2.793  N/A
LEU 68.A N     GLU 64.A O     no hydrogen  2.922  N/A
LYS 69.A N     LEU 65.A O     no hydrogen  2.951  N/A
LYS 69.A NZ    GLU 317.A O    no hydrogen  2.745  N/A
LYS 69.A NZ    GLU 317.A OE1  no hydrogen  2.731  N/A
HIS 70.A N     ARG 66.A O     no hydrogen  3.230  N/A
HIS 70.A N     LEU 67.A O     no hydrogen  3.030  N/A
HIS 70.A NE2   ASP 294.A O    no hydrogen  2.858  N/A
MET 71.A N     LEU 67.A O     no hydrogen  3.059  N/A
LYS 72.A N     TYR 125.A OH   no hydrogen  2.866  N/A
ASN 75.A ND2   LEU 149.A O    no hydrogen  3.142  N/A
VAL 76.A N     HIS 73.A O     no hydrogen  3.419  N/A
ILE 77.A N     ILE 151.A O    no hydrogen  3.069  N/A
LEU 80.A N     VAL 98.A O     no hydrogen  2.824  N/A
ASP 81.A N     VAL 98.A O     no hydrogen  3.460  N/A
VAL 82.A N     ASP 81.A OD1   no hydrogen  2.917  N/A
PHE 83.A N     TYR 96.A O     no hydrogen  3.128  N/A
THR 84.A OG1   ASP 94.A O     no hydrogen  2.835  N/A
ARG 87.A N     GLU 91.A OE1   no hydrogen  2.867  N/A
GLU 90.A N     GLU 90.A OE1   no hydrogen  2.919  N/A
PHE 92.A N     LEU 89.A O     no hydrogen  3.155  N/A
TYR 96.A N     PHE 83.A O     no hydrogen  3.036  N/A
LEU 97.A N     LYS 46.A O     no hydrogen  2.800  N/A
VAL 98.A N     ASP 81.A O     no hydrogen  2.805  N/A
THR 99.A N     ALA 44.A O     no hydrogen  2.832  N/A
THR 99.A OG1   GLY 78.A O     no hydrogen  2.668  N/A
LEU 101.A N    ARG 42.A O     no hydrogen  3.079  N/A
ALA 104.A N    VAL 143.A O    no hydrogen  3.322  N/A
LEU 106.A N    PRO 138.A O    no hydrogen  3.184  N/A
ASN 107.A N    ASP 105.A OD1  no hydrogen  2.750  N/A
VAL 112.A N    THR 108.A O    no hydrogen  3.249  N/A
GLN 113.A N    ASP 109.A O    no hydrogen  2.971  N/A
PHE 114.A N    ASP 110.A O    no hydrogen  3.115  N/A
LEU 115.A N    HIS 111.A O    no hydrogen  3.003  N/A
ILE 116.A N    VAL 112.A O    no hydrogen  2.898  N/A
TYR 117.A N    GLN 113.A O    no hydrogen  2.945  N/A
TYR 117.A OH   GLU 290.A OE2  no hydrogen  2.535  N/A
GLN 118.A N    PHE 114.A O    no hydrogen  3.073  N/A
GLN 118.A NE2  PHE 114.A O    no hydrogen  3.471  N/A
GLN 118.A NE2  CYS 147.A O    no hydrogen  3.091  N/A
ILE 119.A N    LEU 115.A O    no hydrogen  3.168  N/A
LEU 120.A N    ILE 116.A O    no hydrogen  2.871  N/A
ARG 121.A N    TYR 117.A O    no hydrogen  2.760  N/A
ARG 121.A NE   ASP 289.A O    no hydrogen  2.821  N/A
ARG 121.A NH1  GLU 74.A OE1   no hydrogen  3.184  N/A
ARG 121.A NH1  ASN 75.A OD1   no hydrogen  2.809  N/A
ARG 121.A NH2  GLU 74.A OE1   no hydrogen  3.521  N/A
ARG 121.A NH2  ASP 289.A O    no hydrogen  3.157  N/A
GLY 122.A N    GLN 118.A O    no hydrogen  2.944  N/A
LEU 123.A N    ILE 119.A O    no hydrogen  2.769  N/A
LYS 124.A N    LEU 120.A O    no hydrogen  2.848  N/A
LYS 124.A NZ   GLU 290.A O    no hydrogen  2.706  N/A
TYR 125.A N    ARG 121.A O    no hydrogen  3.472  N/A
TYR 125.A OH   HIS 70.A O     no hydrogen  3.286  N/A
ILE 126.A N    GLY 122.A O    no hydrogen  3.004  N/A
HIS 127.A N    LEU 123.A O    no hydrogen  2.834  N/A
HIS 127.A NE2  ASP 178.A OD2  no hydrogen  2.813  N/A
SER 128.A N    LYS 124.A O    no hydrogen  3.023  N/A
SER 128.A OG   TYR 125.A O    no hydrogen  2.532  N/A
ALA 129.A N    ILE 126.A O    no hydrogen  2.960  N/A
ASP 130.A N    HIS 127.A O    no hydrogen  3.053  N/A
ILE 131.A N    ILE 126.A O    no hydrogen  3.323  N/A
HIS 133.A N    ASP 178.A OD2  no hydrogen  2.647  N/A
ARG 134.A N    ASP 178.A OD1  no hydrogen  2.835  N/A
LYS 137.A NZ   THR 158.A OG1  no hydrogen  2.640  N/A
ASN 140.A N    LYS 137.A O    no hydrogen  2.895  N/A
ASN 140.A ND2  ASP 135.A O    no hydrogen  2.783  N/A
LEU 141.A N    PRO 138.A O    no hydrogen  3.136  N/A
ALA 142.A N    LYS 150.A O    no hydrogen  2.921  N/A
VAL 143.A N    ALA 104.A O    no hydrogen  2.735  N/A
ASN 144.A N    GLU 148.A O    no hydrogen  2.991  N/A
ASN 144.A ND2  GLU 148.A OE1  no hydrogen  2.830  N/A
CYS 147.A N    ASN 144.A O    no hydrogen  3.331  N/A
GLU 148.A N    ASN 144.A OD1  no hydrogen  2.819  N/A
LEU 149.A N    GLN 118.A OE1  no hydrogen  2.975  N/A
LYS 150.A N    ALA 142.A O    no hydrogen  2.916  N/A
LYS 150.A NZ   HIS 73.A O     no hydrogen  3.569  N/A
LYS 150.A NZ   GLU 74.A O     no hydrogen  3.192  N/A
LYS 150.A NZ   VAL 76.A O     no hydrogen  3.255  N/A
ILE 151.A N    ASN 75.A O     no hydrogen  2.937  N/A
LEU 152.A N    ASN 140.A O    no hydrogen  2.894  N/A
PHE 154.A N    ASN 140.A OD1  no hydrogen  2.784  N/A
THR 158.A OG1  ASP 135.A OD1  no hydrogen  2.676  N/A
THR 158.A OG1  ASP 135.A OD2  no hydrogen  3.253  N/A
ARG 159.A NE   GLY 198.A O    no hydrogen  3.164  N/A
ARG 159.A NH2  GLY 198.A O    no hydrogen  3.260  N/A
TRP 160.A N    ALA 157.A O    no hydrogen  3.413  N/A
TRP 160.A NE1  GLY 198.A O    no hydrogen  2.981  N/A
TYR 161.A N    THR 158.A O    no hydrogen  3.149  N/A
TYR 161.A OH   GLU 188.A OE1  no hydrogen  2.419  N/A
TYR 161.A OH   GLU 188.A OE2  no hydrogen  3.351  N/A
ARG 162.A N    ARG 159.A O    no hydrogen  3.259  N/A
ARG 162.A NH1  ARG 134.A O    no hydrogen  2.739  N/A
GLU 165.A N    GLU 165.A OE1  no hydrogen  2.799  N/A
ILE 166.A N    ALA 163.A O    no hydrogen  2.991  N/A
MET 167.A N    ALA 163.A O    no hydrogen  3.436  N/A
LEU 168.A N    PRO 164.A O    no hydrogen  3.013  N/A
ASN 169.A N    ILE 166.A O    no hydrogen  3.044  N/A
TRP 170.A N    GLU 165.A O    no hydrogen  2.871  N/A
GLN 175.A NE2  HIS 127.A O    no hydrogen  2.819  N/A
THR 176.A OG1  SER 266.A O    no hydrogen  3.173  N/A
VAL 177.A N    ASN 174.A O    no hydrogen  3.179  N/A
ASP 178.A N    GLN 175.A O    no hydrogen  3.116  N/A
ILE 179.A N    THR 176.A O    no hydrogen  3.003  N/A
TRP 180.A N    THR 176.A O    no hydrogen  3.063  N/A
SER 181.A N    VAL 177.A O    no hydrogen  3.422  N/A
SER 181.A OG   TYR 161.A O    no hydrogen  2.698  N/A
SER 181.A OG   VAL 177.A O    no hydrogen  3.201  N/A
VAL 182.A N    ASP 178.A O    no hydrogen  3.006  N/A
GLY 183.A N    ILE 179.A O    no hydrogen  2.866  N/A
CYS 184.A N    TRP 180.A O    no hydrogen  3.025  N/A
CYS 184.A SG   TRP 180.A O    no hydrogen  3.667  N/A
ILE 185.A N    SER 181.A O    no hydrogen  2.868  N/A
MET 186.A N    VAL 182.A O    no hydrogen  2.823  N/A
ALA 187.A N    GLY 183.A O    no hydrogen  2.970  N/A
GLU 188.A N    CYS 184.A O    no hydrogen  3.180  N/A
LEU 189.A N    ILE 185.A O    no hydrogen  3.041  N/A
LEU 190.A N    MET 186.A O    no hydrogen  3.112  N/A
LEU 190.A N    ALA 187.A O    no hydrogen  3.104  N/A
THR 191.A N    ALA 187.A O    no hydrogen  3.042  N/A
THR 191.A OG1  ALA 187.A O    no hydrogen  3.171  N/A
GLY 192.A N    GLU 188.A O    no hydrogen  2.960  N/A
ARG 193.A N    THR 191.A OG1  no hydrogen  3.300  N/A
GLY 198.A N    PHE 196.A O    no hydrogen  2.956  N/A
GLY 198.A N    GLN 204.A OE1  no hydrogen  3.067  N/A
THR 199.A N    ASP 203.A OD2  no hydrogen  2.875  N/A
THR 199.A OG1  ASP 200.A OD2  no hydrogen  3.285  N/A
THR 199.A OG1  ASP 203.A OD2  no hydrogen  3.125  N/A
ASP 203.A N    ASP 200.A OD1  no hydrogen  2.887  N/A
GLN 204.A N    ASP 200.A O    no hydrogen  2.936  N/A
GLN 204.A NE2  TRP 160.A O    no hydrogen  3.370  N/A
GLN 204.A NE2  PHE 196.A O    no hydrogen  3.159  N/A
LEU 205.A N    HIS 201.A O    no hydrogen  3.264  N/A
LYS 206.A N    ILE 202.A O    no hydrogen  3.090  N/A
LEU 207.A N    ASP 203.A O    no hydrogen  2.859  N/A
ILE 208.A N    GLN 204.A O    no hydrogen  3.045  N/A
LEU 209.A N    LEU 205.A O    no hydrogen  3.054  N/A
ARG 210.A N    LYS 206.A O    no hydrogen  3.134  N/A
LEU 211.A N    ILE 208.A O    no hydrogen  3.016  N/A
VAL 212.A N    ILE 208.A O    no hydrogen  3.016  N/A
GLY 213.A N    LEU 209.A O    no hydrogen  2.803  N/A
THR 214.A N    MET 238.A O    no hydrogen  2.857  N/A
THR 214.A OG1  MET 238.A O    no hydrogen  3.237  N/A
LEU 220.A N    GLY 216.A O    no hydrogen  2.977  N/A
LYS 221.A N    ALA 217.A O    no hydrogen  3.110  N/A
LYS 222.A N    LEU 219.A O    no hydrogen  2.929  N/A
LYS 222.A NZ   ASP 265.A OD2  no hydrogen  2.713  N/A
LYS 222.A NZ   ASP 267.A OD2  no hydrogen  3.248  N/A
ILE 223.A N    LEU 220.A O    no hydrogen  3.383  N/A
SER 227.A OG   SER 225.A OG   no hydrogen  2.823  N/A
ALA 228.A N    SER 225.A OG   no hydrogen  2.795  N/A
ARG 229.A N    SER 225.A O    no hydrogen  2.920  N/A
ARG 229.A NH1  ILE 223.A O    no hydrogen  2.999  N/A
ARG 229.A NH1  SER 224.A O    no hydrogen  2.803  N/A
ASN 230.A N    GLU 226.A O    no hydrogen  2.628  N/A
TYR 231.A OH   ILE 202.A O    no hydrogen  3.218  N/A
ILE 232.A N    ALA 228.A O    no hydrogen  3.193  N/A
GLN 233.A N    ARG 229.A O    no hydrogen  2.889  N/A
SER 234.A OG   ASN 230.A O    no hydrogen  2.855  N/A
LEU 235.A N    ILE 232.A O    no hydrogen  3.226  N/A
MET 238.A N    THR 214.A OG1  no hydrogen  3.097  N/A
LYS 240.A NZ   MET 241.A O    no hydrogen  3.038  N/A
LYS 240.A NZ   GLU 259.A OE2  no hydrogen  3.376  N/A
MET 241.A N    LEU 211.A O    no hydrogen  2.852  N/A
ALA 244.A N    ASN 242.A OD1  no hydrogen  3.225  N/A
ASN 245.A N    ASN 242.A O    no hydrogen  3.059  N/A
VAL 246.A N    ASN 242.A O    no hydrogen  3.134  N/A
PHE 247.A N    PHE 243.A O    no hydrogen  2.862  N/A
ALA 250.A N    PHE 247.A O    no hydrogen  3.136  N/A
ASN 251.A ND2  ASP 109.A OD2  no hydrogen  3.032  N/A
LEU 253.A N    ASN 251.A OD1  no hydrogen  3.167  N/A
VAL 255.A N    ASN 251.A O    no hydrogen  3.155  N/A
ASP 256.A N    PRO 252.A O    no hydrogen  2.922  N/A
LEU 257.A N    LEU 253.A O    no hydrogen  2.939  N/A
LEU 258.A N    ALA 254.A O    no hydrogen  2.977  N/A
GLU 259.A N    VAL 255.A O    no hydrogen  3.018  N/A
LYS 260.A N    ASP 256.A O    no hydrogen  3.380  N/A
LYS 260.A N    LEU 257.A O    no hydrogen  3.000  N/A
LYS 260.A NZ   ASP 256.A OD2  no hydrogen  2.972  N/A
MET 261.A N    LEU 257.A O    no hydrogen  3.063  N/A
LEU 262.A N    LEU 258.A O    no hydrogen  2.941  N/A
ASP 267.A N    ASP 265.A OD1  no hydrogen  3.023  N/A
LYS 268.A N    ASP 265.A O    no hydrogen  2.949  N/A
ARG 269.A N    SER 266.A O    no hydrogen  3.470  N/A
ARG 269.A NH1  GLU 165.A OE1  no hydrogen  3.357  N/A
ARG 269.A NH1  VAL 263.A O    no hydrogen  2.983  N/A
ARG 269.A NH2  GLU 165.A OE1  no hydrogen  3.481  N/A
ARG 269.A NH2  GLU 165.A OE2  no hydrogen  2.518  N/A
ARG 269.A NH2  THR 176.A O    no hydrogen  3.145  N/A
ILE 270.A N    LYS 260.A O    no hydrogen  3.014  N/A
THR 271.A N    GLN 274.A OE1  no hydrogen  3.199  N/A
GLN 274.A N    THR 271.A OG1  no hydrogen  3.194  N/A
ALA 275.A N    THR 271.A O    no hydrogen  2.957  N/A
LEU 276.A N    ALA 272.A O    no hydrogen  3.139  N/A
ALA 277.A N    GLN 274.A O    no hydrogen  3.194  N/A
HIS 278.A N    ALA 275.A O    no hydrogen  3.189  N/A
HIS 278.A NE2  ASP 256.A OD2  no hydrogen  2.718  N/A
TYR 280.A N    HIS 278.A ND1  no hydrogen  3.147  N/A
TYR 280.A OH   ASP 109.A OD1  no hydrogen  3.021  N/A
PHE 281.A N    HIS 278.A O    no hydrogen  3.100  N/A
ALA 282.A N    ALA 279.A O    no hydrogen  3.160  N/A
TYR 284.A N    PHE 281.A O    no hydrogen  2.797  N/A
TYR 284.A OH   ASP 110.A OD1  no hydrogen  2.612  N/A
HIS 285.A N    PHE 281.A O    no hydrogen  2.739  N/A
HIS 285.A ND1  GLU 290.A OE2  no hydrogen  2.856  N/A
ASP 286.A N    GLU 290.A OE2  no hydrogen  3.274  N/A
ASP 288.A N    ASP 286.A OD1  no hydrogen  3.366  N/A
ASP 289.A N    ASP 286.A O    no hydrogen  2.806  N/A
ALA 293.A N    SER 128.A OG   no hydrogen  2.816  N/A
GLN 298.A NE2  ASP 130.A O    no hydrogen  2.718  N/A
SER 299.A N    ASP 297.A OD1  no hydrogen  2.993  N/A
SER 299.A OG   ASP 297.A OD1  no hydrogen  2.734  N/A
GLU 301.A N    GLN 298.A O    no hydrogen  3.079  N/A
SER 302.A N    SER 299.A O    no hydrogen  3.205  N/A
SER 302.A OG   SER 299.A O    no hydrogen  2.686  N/A
ARG 303.A N    PHE 300.A O    no hydrogen  2.957  N/A
ARG 303.A NH1  SER 299.A OG   no hydrogen  3.365  N/A
LEU 306.A N    GLU 309.A OE1  no hydrogen  3.008  N/A
GLU 309.A N    LEU 306.A O    no hydrogen  3.002  N/A
TRP 310.A N    LEU 306.A O    no hydrogen  3.097  N/A
LYS 311.A N    ILE 307.A O    no hydrogen  2.802  N/A
LYS 311.A NZ   PHE 92.A O     no hydrogen  2.925  N/A
SER 312.A N    ASP 308.A O    no hydrogen  2.885  N/A
LEU 313.A N    GLU 309.A O    no hydrogen  2.891  N/A
THR 314.A N    TRP 310.A O    no hydrogen  2.945  N/A
THR 314.A OG1  TRP 310.A O    no hydrogen  2.796  N/A
TYR 315.A N    LYS 311.A O    no hydrogen  3.045  N/A
ASP 316.A N    SER 312.A O    no hydrogen  3.094  N/A
GLU 317.A N    LEU 313.A O    no hydrogen  3.202  N/A
VAL 318.A N    THR 314.A O    no hydrogen  3.047  N/A
ILE 319.A N    TYR 315.A O    no hydrogen  3.068  N/A
SER 320.A N    ASP 316.A O    no hydrogen  2.942  N/A
SER 320.A OG   ASP 316.A O    no hydrogen  3.371  N/A
SER 320.A OG   GLU 317.A O    no hydrogen  3.493  N/A
PHE 321.A N    VAL 318.A O    no hydrogen  3.374  N/A