Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
	#0 4ib3_A.cif

H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
LYS 5.A N      GLU 2.A O      no hydrogen  3.062  N/A
PHE 7.A N      SER 3.A O      no hydrogen  2.554  N/A
LEU 8.A N      VAL 4.A O      no hydrogen  2.733  N/A
ALA 9.A N      LYS 5.A O      no hydrogen  2.942  N/A
LYS 10.A N     GLU 6.A O      no hydrogen  2.932  N/A
LYS 10.A NZ    ASP 14.A OD1   no hydrogen  3.444  N/A
LYS 10.A NZ    ASP 14.A OD2   no hydrogen  3.323  N/A
ALA 11.A N     PHE 7.A O      no hydrogen  2.853  N/A
LYS 12.A N     LEU 8.A O      no hydrogen  2.743  N/A
LYS 12.A NZ    SER 147.A O    no hydrogen  3.056  N/A
LYS 12.A NZ    ASP 149.A OD2  no hydrogen  3.144  N/A
GLU 13.A N     ALA 9.A O      no hydrogen  3.203  N/A
ASP 14.A N     LYS 10.A O     no hydrogen  3.081  N/A
PHE 15.A N     ALA 11.A O     no hydrogen  3.019  N/A
LEU 16.A N     LYS 12.A O     no hydrogen  2.893  N/A
LYS 17.A N     GLU 13.A O     no hydrogen  3.219  N/A
TRP 19.A N     PHE 15.A O     no hydrogen  2.745  N/A
GLU 20.A N     LEU 16.A O     no hydrogen  2.726  N/A
THR 21.A N     LYS 17.A O     no hydrogen  3.060  N/A
SER 23.A N     GLN 85.A OE1   no hydrogen  2.859  N/A
GLN 24.A NE2   THR 334.A O    no hydrogen  3.301  N/A
GLN 24.A NE2   PHE 336.A O    no hydrogen  2.926  N/A
THR 26.A N     SER 98.A O     no hydrogen  3.043  N/A
THR 26.A OG1   SER 98.A O     no hydrogen  3.439  N/A
GLN 28.A N     GLN 31.A OE1   no hydrogen  2.961  N/A
GLN 28.A NE2   ASP 30.A OD1   no hydrogen  2.804  N/A
GLN 28.A NE2   ASP 30.A OD2   no hydrogen  2.901  N/A
GLN 31.A N     GLN 28.A O     no hydrogen  3.175  N/A
PHE 32.A N     LEU 29.A O     no hydrogen  3.091  N/A
ASP 33.A N     LYS 50.A O     no hydrogen  2.912  N/A
ILE 35.A N     LEU 48.A O     no hydrogen  2.909  N/A
LYS 36.A N     LEU 48.A O     no hydrogen  3.419  N/A
LYS 36.A NZ    ASP 316.A OD1  no hydrogen  2.735  N/A
THR 37.A N     GLU 319.A OE2  no hydrogen  3.130  N/A
THR 37.A OG1   GLU 319.A OE1  no hydrogen  2.708  N/A
LEU 38.A N     VAL 46.A O     no hydrogen  2.661  N/A
GLY 39.A N     VAL 46.A O     no hydrogen  3.402  N/A
ARG 45.A N     ILE 62.A O     no hydrogen  3.203  N/A
ARG 45.A NH1   THR 37.A OG1   no hydrogen  2.720  N/A
ARG 45.A NH1   GLU 318.A O    no hydrogen  3.224  N/A
VAL 46.A N     GLY 39.A O     no hydrogen  2.942  N/A
MET 47.A N     MET 60.A O     no hydrogen  2.896  N/A
LEU 48.A N     LYS 36.A O     no hydrogen  2.593  N/A
VAL 49.A N     TYR 58.A O     no hydrogen  2.787  N/A
LYS 50.A N     ASP 33.A O     no hydrogen  3.019  N/A
HIS 51.A N     ASN 56.A O     no hydrogen  2.788  N/A
HIS 51.A ND1   SER 54.A OG    no hydrogen  2.818  N/A
LYS 52.A N     GLN 31.A O     no hydrogen  2.984  N/A
LYS 52.A NZ    ASP 30.A O     no hydrogen  2.738  N/A
SER 54.A N     HIS 51.A ND1   no hydrogen  3.245  N/A
SER 54.A OG    HIS 51.A ND1   no hydrogen  2.818  N/A
GLY 55.A N     HIS 51.A O     no hydrogen  2.609  N/A
ASN 56.A N     SER 54.A OG    no hydrogen  3.249  N/A
TYR 58.A N     VAL 49.A O     no hydrogen  2.823  N/A
ALA 59.A N     MET 109.A O    no hydrogen  2.918  N/A
MET 60.A N     MET 47.A O     no hydrogen  2.718  N/A
LYS 61.A N     MET 107.A O    no hydrogen  2.802  N/A
LYS 61.A NZ    GLU 80.A OE2   no hydrogen  2.760  N/A
ILE 62.A N     ARG 45.A O     no hydrogen  2.743  N/A
LEU 63.A N     LEU 105.A O    no hydrogen  2.875  N/A
LYS 65.A N     SER 103.A O    no hydrogen  2.824  N/A
LYS 65.A NZ    ASP 101.A O    no hydrogen  2.690  N/A
LYS 65.A NZ    ASN 102.A O    no hydrogen  3.222  N/A
LYS 65.A NZ    LYS 328.A O    no hydrogen  2.817  N/A
GLN 66.A N     ASP 64.A OD1   no hydrogen  2.853  N/A
LYS 67.A N     ASP 64.A O     no hydrogen  3.026  N/A
LYS 67.A NZ    ASP 64.A OD2   no hydrogen  3.228  N/A
VAL 68.A N     ASP 64.A O     no hydrogen  3.063  N/A
VAL 69.A N     LYS 65.A O     no hydrogen  3.176  N/A
LYS 70.A N     GLN 66.A O     no hydrogen  3.069  N/A
LEU 71.A N     LYS 67.A O     no hydrogen  2.962  N/A
LYS 72.A N     VAL 69.A O     no hydrogen  2.678  N/A
GLN 73.A N     VAL 68.A O     no hydrogen  2.870  N/A
GLN 73.A NE2   LEU 71.A O     no hydrogen  2.891  N/A
HIS 76.A ND1   GLN 73.A OE1   no hydrogen  2.814  N/A
THR 77.A N     GLN 73.A O     no hydrogen  2.805  N/A
THR 77.A OG1   GLN 73.A O     no hydrogen  2.728  N/A
LEU 78.A N     ILE 74.A O     no hydrogen  2.979  N/A
ASN 79.A N     GLU 75.A O     no hydrogen  2.855  N/A
GLU 80.A N     HIS 76.A O     no hydrogen  2.938  N/A
LYS 81.A N     THR 77.A O     no hydrogen  3.142  N/A
LYS 81.A NZ    SER 23.A O     no hydrogen  2.679  N/A
LYS 81.A NZ    GLU 335.A O    no hydrogen  3.497  N/A
ARG 82.A N     LEU 78.A O     no hydrogen  2.987  N/A
ARG 82.A NE    TRP 19.A O     no hydrogen  3.062  N/A
ARG 82.A NH2   TRP 19.A O     no hydrogen  2.829  N/A
ILE 83.A N     ASN 79.A O     no hydrogen  2.759  N/A
LEU 84.A N     GLU 80.A O     no hydrogen  2.908  N/A
GLN 85.A N     LYS 81.A O     no hydrogen  3.078  N/A
GLN 85.A NE2   LYS 18.A O     no hydrogen  2.877  N/A
GLN 85.A NE2   ARG 82.A O     no hydrogen  2.826  N/A
ALA 86.A N     ILE 83.A O     no hydrogen  2.990  N/A
VAL 87.A N     ILE 83.A O     no hydrogen  3.051  N/A
ASN 88.A N     TYR 144.A OH   no hydrogen  2.982  N/A
LEU 92.A N     PHE 89.A O     no hydrogen  3.115  N/A
VAL 93.A N     VAL 170.A O    no hydrogen  3.037  N/A
LYS 94.A NZ    GLU 96.A OE1   no hydrogen  2.848  N/A
GLU 96.A N     VAL 108.A O    no hydrogen  2.621  N/A
PHE 97.A N     VAL 108.A O    no hydrogen  3.070  N/A
SER 98.A N     THR 26.A OG1   no hydrogen  3.154  N/A
PHE 99.A N     TYR 106.A O    no hydrogen  3.025  N/A
LYS 100.A NZ   PHE 333.A O    no hydrogen  2.701  N/A
LYS 100.A NZ   PHE 336.A O    no hydrogen  3.314  N/A
ASP 101.A N    ASN 104.A O    no hydrogen  3.021  N/A
SER 103.A N    ASP 101.A OD1  no hydrogen  2.864  N/A
ASN 104.A N    ASP 101.A OD1  no hydrogen  2.805  N/A
ASN 104.A ND2  TYR 106.A OH   no hydrogen  2.837  N/A
ASN 104.A ND2  ARG 323.A O    no hydrogen  3.238  N/A
LEU 105.A N    LEU 63.A O     no hydrogen  2.769  N/A
TYR 106.A N    PHE 99.A O     no hydrogen  2.739  N/A
TYR 106.A OH   ASP 101.A OD2  no hydrogen  2.501  N/A
MET 107.A N    LYS 61.A O     no hydrogen  3.037  N/A
VAL 108.A N    PHE 97.A O     no hydrogen  2.811  N/A
MET 109.A N    ALA 59.A O     no hydrogen  2.827  N/A
GLU 110.A N    LYS 94.A O     no hydrogen  2.969  N/A
TYR 111.A OH   ASP 310.A O    no hydrogen  2.596  N/A
MET 117.A N    LEU 160.A O    no hydrogen  2.718  N/A
PHE 118.A N    PRO 157.A O    no hydrogen  3.349  N/A
SER 119.A OG   GLU 116.A O    no hydrogen  2.818  N/A
HIS 120.A NE2  GLY 114.A O    no hydrogen  2.678  N/A
LEU 121.A N    MET 117.A O    no hydrogen  2.755  N/A
ARG 122.A N    PHE 118.A O    no hydrogen  2.936  N/A
ARG 122.A NH1  GLU 217.A OE2  no hydrogen  2.888  N/A
ARG 122.A NH2  GLU 217.A OE2  no hydrogen  3.099  N/A
ARG 123.A N    SER 119.A O    no hydrogen  2.933  N/A
ARG 123.A NH1  HIS 120.A ND1  no hydrogen  3.370  N/A
ARG 123.A NH2  HIS 120.A ND1  no hydrogen  2.995  N/A
ILE 124.A N    HIS 120.A O    no hydrogen  2.839  N/A
GLY 125.A N    LEU 121.A O    no hydrogen  2.760  N/A
PHE 127.A N    MET 218.A O    no hydrogen  2.768  N/A
HIS 130.A NE2  TYR 134.A OH   no hydrogen  3.078  N/A
ARG 132.A N    GLU 128.A O    no hydrogen  2.586  N/A
ARG 132.A NE   TRP 283.A O    no hydrogen  2.616  N/A
ARG 132.A NH2  TRP 283.A O    no hydrogen  3.038  N/A
PHE 133.A N    PRO 129.A O    no hydrogen  2.900  N/A
TYR 134.A N    HIS 130.A O    no hydrogen  3.315  N/A
TYR 134.A OH   HIS 130.A NE2  no hydrogen  3.078  N/A
ALA 135.A N    ALA 131.A O    no hydrogen  2.811  N/A
ALA 136.A N    ARG 132.A O    no hydrogen  2.959  N/A
GLN 137.A NE2  PHE 133.A O    no hydrogen  3.019  N/A
ILE 138.A N    TYR 134.A O    no hydrogen  3.220  N/A
VAL 139.A N    ALA 135.A O    no hydrogen  2.897  N/A
LEU 140.A N    ALA 136.A O    no hydrogen  3.044  N/A
THR 141.A N    GLN 137.A O    no hydrogen  2.986  N/A
THR 141.A OG1  GLN 137.A O    no hydrogen  2.824  N/A
PHE 142.A N    ILE 138.A O    no hydrogen  2.823  N/A
GLU 143.A N    VAL 139.A O    no hydrogen  3.078  N/A
TYR 144.A N    LEU 140.A O    no hydrogen  3.084  N/A
LEU 145.A N    THR 141.A O    no hydrogen  2.869  N/A
HIS 146.A N    PHE 142.A O    no hydrogen  2.773  N/A
HIS 146.A ND1  LEU 150.A O    no hydrogen  3.093  N/A
SER 147.A N    GLU 143.A O    no hydrogen  3.112  N/A
SER 147.A OG   TYR 144.A O    no hydrogen  2.629  N/A
LEU 148.A N    LEU 145.A O    no hydrogen  2.869  N/A
ASP 149.A N    HIS 146.A O    no hydrogen  2.883  N/A
LEU 150.A N    LEU 145.A O    no hydrogen  3.139  N/A
ILE 151.A N    LYS 177.A O    no hydrogen  2.869  N/A
TYR 152.A N    ASP 207.A OD2  no hydrogen  2.772  N/A
TYR 152.A OH   THR 171.A O    no hydrogen  2.494  N/A
TYR 152.A OH   ASP 172.A O    no hydrogen  3.203  N/A
ARG 153.A N    ASP 207.A OD1  no hydrogen  2.888  N/A
ARG 153.A NE   PHE 175.A O    no hydrogen  2.838  N/A
ARG 153.A NH1  TYR 202.A OH   no hydrogen  2.920  N/A
ARG 153.A NH2  PHE 175.A O    no hydrogen  2.887  N/A
LYS 156.A NZ   THR 188.A OG1  no hydrogen  2.984  N/A
GLU 158.A N    GLU 158.A OE1  no hydrogen  2.671  N/A
ASN 159.A N    LYS 156.A O    no hydrogen  2.965  N/A
ASN 159.A ND2  ASP 154.A O    no hydrogen  2.979  N/A
ASN 159.A ND2  ASP 154.A OD2  no hydrogen  2.785  N/A
LEU 160.A N    PRO 157.A O    no hydrogen  3.098  N/A
LEU 161.A N    GLN 169.A O    no hydrogen  2.968  N/A
ILE 162.A N    GLY 115.A O    no hydrogen  3.008  N/A
ASP 163.A N    TYR 167.A O    no hydrogen  2.782  N/A
GLN 165.A N    ASP 163.A OD1  no hydrogen  2.996  N/A
GLY 166.A N    ASP 163.A O    no hydrogen  2.763  N/A
TYR 167.A N    ASP 163.A OD1  no hydrogen  2.783  N/A
TYR 167.A OH   VAL 297.A O    no hydrogen  2.570  N/A
ILE 168.A N    GLN 137.A OE1  no hydrogen  2.869  N/A
GLN 169.A N    LEU 161.A O    no hydrogen  2.710  N/A
GLN 169.A NE2  PRO 90.A O     no hydrogen  3.081  N/A
GLN 169.A NE2  ILE 168.A O    no hydrogen  3.181  N/A
VAL 170.A N    PHE 91.A O     no hydrogen  2.801  N/A
THR 171.A N    ASN 159.A O    no hydrogen  2.972  N/A
GLY 174.A N    ASP 172.A OD1  no hydrogen  3.031  N/A
ALA 176.A N    PHE 173.A O    no hydrogen  2.903  N/A
LYS 177.A N    ILE 151.A O    no hydrogen  3.059  N/A
LYS 177.A NZ   THR 183.A OG1  no hydrogen  3.139  N/A
ARG 178.A NE   LEU 148.A O    no hydrogen  2.950  N/A
ARG 178.A NH2  ASP 149.A OD2  no hydrogen  3.047  N/A
VAL 179.A N    ASP 149.A O    no hydrogen  2.721  N/A
LYS 180.A NZ   ASP 149.A OD2  no hydrogen  2.749  N/A
THR 183.A N    TYR 202.A O    no hydrogen  2.996  N/A
THR 188.A OG1  ASP 154.A OD1  no hydrogen  3.249  N/A
GLU 190.A N    GLU 190.A OE1  no hydrogen  2.750  N/A
TYR 191.A N    THR 188.A O    no hydrogen  2.807  N/A
TYR 191.A OH   GLU 217.A OE1  no hydrogen  2.609  N/A
LEU 192.A N    PRO 189.A O    no hydrogen  3.217  N/A
GLU 195.A N    GLU 195.A OE2  no hydrogen  2.748  N/A
ILE 196.A N    ALA 193.A O    no hydrogen  2.924  N/A
ILE 197.A N    ALA 193.A O    no hydrogen  3.397  N/A
LEU 198.A N    PRO 194.A O    no hydrogen  2.941  N/A
SER 199.A N    ILE 196.A O    no hydrogen  3.300  N/A
TYR 202.A N    THR 183.A O    no hydrogen  2.949  N/A
LYS 204.A NZ   VAL 179.A O    no hydrogen  2.950  N/A
ALA 205.A N    ASN 203.A OD1  no hydrogen  2.903  N/A
VAL 206.A N    ASN 203.A O    no hydrogen  3.011  N/A
ASP 207.A N    LYS 204.A O    no hydrogen  2.802  N/A
TRP 208.A N    ALA 205.A O    no hydrogen  3.121  N/A
TRP 209.A N    ALA 205.A O    no hydrogen  3.207  N/A
ALA 210.A N    VAL 206.A O    no hydrogen  3.042  N/A
LEU 211.A N    ASP 207.A O    no hydrogen  3.042  N/A
GLY 212.A N    TRP 208.A O    no hydrogen  3.214  N/A
VAL 213.A N    TRP 209.A O    no hydrogen  3.045  N/A
LEU 214.A N    ALA 210.A O    no hydrogen  2.798  N/A
ILE 215.A N    LEU 211.A O    no hydrogen  2.868  N/A
TYR 216.A N    GLY 212.A O    no hydrogen  2.974  N/A
TYR 216.A OH   ARG 243.A O    no hydrogen  2.684  N/A
GLU 217.A N    VAL 213.A O    no hydrogen  2.871  N/A
MET 218.A N    LEU 214.A O    no hydrogen  2.879  N/A
ALA 219.A N    ILE 215.A O    no hydrogen  3.015  N/A
ALA 220.A N    TYR 216.A O    no hydrogen  2.727  N/A
GLY 221.A N    GLU 217.A O    no hydrogen  2.766  N/A
GLN 232.A N    GLN 229.A O    no hydrogen  2.911  N/A
ILE 233.A N    GLN 229.A O    no hydrogen  3.194  N/A
TYR 234.A N    PRO 230.A O    no hydrogen  2.868  N/A
GLU 235.A N    ILE 231.A O    no hydrogen  3.343  N/A
LYS 236.A N    GLN 232.A O    no hydrogen  3.324  N/A
LYS 236.A NZ   PHE 226.A O    no hydrogen  2.726  N/A
ILE 237.A N    ILE 233.A O    no hydrogen  2.985  N/A
VAL 238.A N    TYR 234.A O    no hydrogen  2.900  N/A
SER 239.A N    GLU 235.A O    no hydrogen  3.169  N/A
SER 239.A OG   GLU 235.A O    no hydrogen  2.853  N/A
GLY 240.A N    LYS 236.A O    no hydrogen  3.212  N/A
PHE 248.A N    PRO 245.A O    no hydrogen  3.060  N/A
SER 249.A N    GLU 128.A OE2  no hydrogen  2.898  N/A
SER 249.A OG   GLU 128.A OE1  no hydrogen  2.678  N/A
SER 249.A OG   GLU 128.A OE2  no hydrogen  3.431  N/A
LEU 252.A N    SER 249.A OG   no hydrogen  3.044  N/A
LYS 253.A N    SER 249.A O    no hydrogen  3.056  N/A
ASP 254.A N    SER 250.A O    no hydrogen  3.044  N/A
LEU 255.A N    ASP 251.A O    no hydrogen  3.006  N/A
LEU 256.A N    LEU 252.A O    no hydrogen  2.866  N/A
ARG 257.A N    LYS 253.A O    no hydrogen  2.861  N/A
ASN 258.A N    ASP 254.A O    no hydrogen  3.238  N/A
LEU 259.A N    LEU 255.A O    no hydrogen  3.019  N/A
LEU 259.A N    LEU 256.A O    no hydrogen  3.160  N/A
LEU 260.A N    LEU 256.A O    no hydrogen  2.757  N/A
ASP 263.A N    GLN 261.A OE1  no hydrogen  3.083  N/A
THR 265.A N    ASP 263.A OD1  no hydrogen  2.766  N/A
THR 265.A OG1  ASP 263.A OD1  no hydrogen  2.489  N/A
LYS 266.A N    ASP 263.A O    no hydrogen  2.710  N/A
LYS 266.A NZ   ASP 263.A OD2  no hydrogen  2.656  N/A
ARG 267.A N    ASP 263.A O    no hydrogen  2.875  N/A
ARG 267.A NE   GLN 261.A O    no hydrogen  2.786  N/A
ARG 267.A NH1  GLU 195.A OE1  no hydrogen  2.621  N/A
ARG 267.A NH1  ALA 205.A O    no hydrogen  3.120  N/A
ARG 267.A NH2  GLU 195.A OE1  no hydrogen  3.359  N/A
ARG 267.A NH2  GLU 195.A OE2  no hydrogen  2.843  N/A
ARG 267.A NH2  GLN 261.A O    no hydrogen  3.139  N/A
PHE 268.A N    ASN 258.A O    no hydrogen  2.880  N/A
ASN 270.A N    ARG 267.A O    no hydrogen  3.123  N/A
ASN 270.A ND2  LEU 264.A O    no hydrogen  2.730  N/A
GLY 274.A N    LEU 271.A O    no hydrogen  2.826  N/A
ASN 276.A N    ASN 273.A O    no hydrogen  3.191  N/A
ASP 277.A N    GLY 274.A O    no hydrogen  3.154  N/A
ILE 278.A N    VAL 275.A O    no hydrogen  2.987  N/A
LYS 279.A N    VAL 275.A O    no hydrogen  3.065  N/A
LYS 279.A NZ   GLU 143.A OE1  no hydrogen  2.843  N/A
LYS 279.A NZ   GLU 143.A OE2  no hydrogen  3.410  N/A
ASN 280.A N    ASN 276.A O    no hydrogen  2.952  N/A
HIS 281.A N    ILE 278.A O    no hydrogen  2.962  N/A
HIS 281.A NE2  ASP 254.A OD1  no hydrogen  2.620  N/A
TRP 283.A N    HIS 281.A ND1  no hydrogen  3.029  N/A
TRP 283.A NE1  GLU 128.A OE1  no hydrogen  2.876  N/A
PHE 284.A N    HIS 281.A O    no hydrogen  2.902  N/A
ALA 285.A N    LYS 282.A O    no hydrogen  3.068  N/A
THR 287.A N    PHE 284.A O    no hydrogen  3.009  N/A
ALA 291.A N    ASP 288.A OD1  no hydrogen  3.265  N/A
ILE 292.A N    ASP 288.A O    no hydrogen  2.972  N/A
TYR 293.A N    TRP 289.A O    no hydrogen  3.109  N/A
GLN 294.A N    ILE 290.A O    no hydrogen  2.926  N/A
ARG 295.A N    ILE 292.A O    no hydrogen  2.933  N/A
ARG 295.A NH1  ASP 163.A OD2  no hydrogen  3.287  N/A
ARG 295.A NH2  ASP 163.A OD1  no hydrogen  3.483  N/A
ARG 295.A NH2  ASP 163.A OD2  no hydrogen  2.754  N/A
ARG 295.A NH2  GLN 165.A OE1  no hydrogen  2.626  N/A
LYS 296.A N    ALA 291.A O    no hydrogen  2.892  N/A
ASP 310.A N    GLY 307.A O    no hydrogen  3.505  N/A
SER 312.A N    ASP 310.A OD1  no hydrogen  3.294  N/A
SER 312.A OG   ASP 310.A OD1  no hydrogen  3.189  N/A
SER 312.A OG   ASP 310.A OD2  no hydrogen  2.726  N/A
ASN 313.A ND2  ALA 113.A O    no hydrogen  3.078  N/A
ASN 313.A ND2  LYS 304.A O    no hydrogen  3.341  N/A
PHE 314.A N    THR 311.A O    no hydrogen  3.030  N/A
LYS 328.A N    ASN 102.A O    no hydrogen  2.743  N/A
GLU 332.A N    GLU 332.A OE1  no hydrogen  2.539  N/A
PHE 333.A N    CYS 329.A O    no hydrogen  3.401  N/A
THR 334.A N    LYS 331.A O    no hydrogen  3.307  N/A
THR 334.A OG1  GLY 330.A O    no hydrogen  3.243  N/A
THR 334.A OG1  LYS 331.A O    no hydrogen  2.564  N/A
PHE 336.A N    PHE 333.A O    no hydrogen  3.087  N/A