Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ni3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASN 254.A OD1 no hydrogen 2.851 N/A GLU 4.A N SER 9.A OG no hydrogen 2.859 N/A THR 6.A N GLU 4.A O no hydrogen 2.825 N/A TRP 7.A NE1 GLU 242.A OE1 no hydrogen 2.833 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.825 N/A SER 9.A N THR 6.A OG1 no hydrogen 3.006 N/A SER 9.A OG GLU 4.A O no hydrogen 3.539 N/A THR 10.A N THR 6.A O no hydrogen 3.049 N/A THR 10.A OG1 THR 6.A O no hydrogen 2.814 N/A THR 10.A OG1 TRP 7.A O no hydrogen 3.358 N/A ASP 11.A N TRP 7.A O no hydrogen 2.808 N/A LYS 12.A N SER 9.A O no hydrogen 3.236 N/A HIS 13.A N THR 10.A O no hydrogen 3.065 N/A HIS 13.A ND1 SER 278.A O no hydrogen 3.189 N/A TRP 19.A NE1 GLU 262.A O no hydrogen 2.913 N/A TYR 20.A N PRO 17.A O no hydrogen 3.029 N/A TYR 20.A OH GLN 297.A OE1 no hydrogen 2.518 N/A ARG 21.A N PRO 17.A O no hydrogen 3.117 N/A ARG 21.A NE ALA 16.A O no hydrogen 2.813 N/A ARG 21.A NH1 GLU 527.A OE2 no hydrogen 2.874 N/A ARG 21.A NH2 ALA 16.A O no hydrogen 3.358 N/A ASP 22.A N GLU 18.A O no hydrogen 2.846 N/A ALA 23.A N TYR 20.A O no hydrogen 3.165 N/A LYS 24.A NZ ARG 21.A O no hydrogen 2.862 N/A LYS 24.A NZ TYR 295.A OH no hydrogen 3.048 N/A LYS 24.A NZ THR 372.A O no hydrogen 2.825 N/A PHE 25.A N ALA 23.A O no hydrogen 2.782 N/A GLY 26.A N MET 335.A O.A no hydrogen 3.117 N/A GLY 26.A N MET 335.A O.B no hydrogen 2.954 N/A VAL 27.A N PHE 115.A O no hydrogen 3.045 N/A TYR 28.A N LEU 337.A O no hydrogen 2.921 N/A TYR 28.A OH ASP 299.A OD2 no hydrogen 2.742 N/A HIS 30.A N ASN 338.A OD1 no hydrogen 2.865 N/A HIS 30.A ND1 ASN 338.A OD1 no hydrogen 2.767 N/A TRP 31.A NE1 MET 342.A O no hydrogen 2.782 N/A GLY 32.A N THR 35.A OG1 no hydrogen 3.119 N/A THR 35.A N GLY 32.A O no hydrogen 2.922 N/A THR 35.A OG1 GLY 32.A O no hydrogen 3.234 N/A THR 35.A OG1 SER 308.A OG no hydrogen 2.903 N/A THR 36.A N ALA 33.A O no hydrogen 3.089 N/A THR 36.A OG1 ALA 33.A O no hydrogen 2.710 N/A GLN 38.A N THR 35.A O no hydrogen 2.810 N/A TYR 39.A OH ASP 54.A OD2 no hydrogen 2.425 N/A SER 41.A N TYR 39.A O no hydrogen 2.853 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.733 N/A TRP 43.A N SER 41.A OG no hydrogen 2.991 N/A TYR 44.A N SER 41.A O no hydrogen 2.999 N/A TYR 44.A OH HIS 59.A ND1 no hydrogen 2.750 N/A ARG 46.A N TRP 43.A O no hydrogen 2.884 N/A ARG 46.A NH1 PHE 175.A O no hydrogen 3.125 N/A ARG 46.A NH1 GLN 177.A OE1 no hydrogen 3.005 N/A ARG 46.A NH2 GLN 177.A OE1 no hydrogen 3.118 N/A ASN 47.A N TRP 43.A O no hydrogen 2.964 N/A ASN 47.A ND2 GLU 50.A OE1 no hydrogen 2.856 N/A MET 48.A N TYR 44.A O no hydrogen 2.905 N/A TYR 49.A N ARG 46.A O no hydrogen 3.406 N/A GLU 50.A N ASN 47.A O no hydrogen 3.028 N/A SER 53.A N GLU 50.A O no hydrogen 3.321 N/A SER 53.A OG ASN 47.A O no hydrogen 2.909 N/A SER 53.A OG GLU 50.A O no hydrogen 3.152 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 2.695 N/A ARG 56.A N SER 53.A OG no hydrogen 2.857 N/A ARG 56.A NE TYR 49.A O no hydrogen 3.420 N/A ARG 56.A NE GLU 50.A O no hydrogen 3.070 N/A ARG 56.A NH1 GLU 67.A OE1 no hydrogen 3.420 N/A ARG 56.A NH1 GLU 67.A OE2 no hydrogen 3.046 N/A ARG 56.A NH2 TYR 49.A O no hydrogen 2.831 N/A ARG 56.A NH2 GLU 67.A OE2 no hydrogen 2.748 N/A LYS 57.A N SER 53.A O no hydrogen 3.000 N/A HIS 58.A N ASP 54.A O no hydrogen 2.838 N/A HIS 59.A N GLN 55.A O no hydrogen 2.814 N/A HIS 59.A ND1 TYR 44.A OH no hydrogen 2.750 N/A HIS 59.A NE2 TRP 69.A O no hydrogen 2.776 N/A THR 60.A N ARG 56.A O no hydrogen 2.845 N/A THR 60.A OG1 ARG 56.A O no hydrogen 2.782 N/A GLU 61.A N LYS 57.A O no hydrogen 2.908 N/A THR 62.A N HIS 58.A O no hydrogen 2.917 N/A THR 62.A N HIS 59.A O no hydrogen 3.246 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.763 N/A TYR 63.A N HIS 59.A O no hydrogen 2.759 N/A GLY 64.A N HIS 59.A O no hydrogen 3.085 N/A GLU 68.A N PRO 65.A O no hydrogen 2.864 N/A TRP 69.A N PRO 65.A O no hydrogen 2.813 N/A TRP 69.A NE1 LYS 79.A O no hydrogen 2.875 N/A TYR 71.A N TYR 49.A OH no hydrogen 2.788 N/A TYR 71.A OH ASP 124.A OD2 no hydrogen 2.565 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.801 N/A ASN 73.A N GLY 70.A O no hydrogen 2.986 N/A PHE 74.A N TYR 71.A O no hydrogen 2.945 N/A ILE 75.A N GLU 72.A O no hydrogen 3.062 N/A LYS 76.A N GLU 72.A O no hydrogen 2.926 N/A GLY 77.A N ASN 73.A O no hydrogen 2.769 N/A ALA 78.A N VAL 86.A O no hydrogen 2.999 N/A ASP 80.A N ASN 84.A O no hydrogen 2.801 N/A LYS 81.A N THR 62.A O no hydrogen 3.035 N/A GLY 83.A N ASP 80.A O no hydrogen 2.981 N/A ASN 84.A N ASP 80.A OD1 no hydrogen 2.832 N/A VAL 86.A N ALA 78.A O no hydrogen 2.784 N/A GLN 87.A NE2 ILE 75.A O no hydrogen 2.902 N/A PHE 88.A N PHE 74.A O no hydrogen 2.840 N/A LYS 93.A N PHE 99.A O no hydrogen 2.776 N/A LYS 95.A N LEU 92.A O no hydrogen 2.847 N/A GLY 96.A N LYS 93.A O no hydrogen 2.984 N/A GLY 97.A N LEU 92.A O no hydrogen 2.888 N/A PHE 99.A N VAL 91.A O no hydrogen 2.993 N/A ALA 103.A N ASP 100.A OD1 no hydrogen 3.063 N/A ILE 104.A N ASP 100.A O no hydrogen 3.173 N/A ILE 105.A N PRO 101.A O no hydrogen 2.935 N/A LYS 106.A N GLU 102.A O no hydrogen 2.944 N/A LYS 106.A NZ ASN 158.A OD1 no hydrogen 2.813 N/A ILE 107.A N ALA 103.A O no hydrogen 2.990 N/A VAL 108.A N ILE 104.A O no hydrogen 2.860 N/A LYS 109.A N.A ILE 105.A O no hydrogen 2.828 N/A LYS 109.A N.B ILE 105.A O no hydrogen 2.847 N/A LYS 109.A NZ.A ASN 158.A O no hydrogen 3.030 N/A LYS 109.A NZ.A ASP 159.A O.A no hydrogen 3.349 N/A LYS 109.A NZ.A ASP 159.A O.B no hydrogen 2.881 N/A LYS 109.A NZ.B ASN 158.A O no hydrogen 2.955 N/A GLY 110.A N LYS 106.A O no hydrogen 2.925 N/A SER 111.A N ILE 107.A O no hydrogen 3.005 N/A SER 111.A N VAL 108.A O no hydrogen 3.094 N/A SER 111.A OG VAL 108.A O no hydrogen 2.666 N/A GLY 112.A N LYS 109.A O.A no hydrogen 3.150 N/A GLY 112.A N LYS 109.A O.B no hydrogen 3.101 N/A ARG 114.A N PHE 25.A O no hydrogen 2.845 N/A ARG 114.A NH1.A ASP 371.A OD1 no hydrogen 2.958 N/A ALA 116.A N LYS 161.A O no hydrogen 2.925 N/A GLY 117.A N VAL 27.A O no hydrogen 3.163 N/A VAL 119.A N TRP 29.A O no hydrogen 3.050 N/A ALA 120.A N ALA 165.A O no hydrogen 2.809 N/A HIS 123.A ND1 HIS 167.A O no hydrogen 2.845 N/A SER 127.A N TRP 136.A O no hydrogen 2.964 N/A SER 127.A OG GLU 121.A OE1 no hydrogen 2.662 N/A MET 128.A N ALA 120.A O no hydrogen 2.825 N/A TRP 129.A NE1 GLU 209.A OE1 no hydrogen 2.736 N/A ASP 130.A N ASP 146.A OD2 no hydrogen 3.185 N/A SER 131.A OG ASN 134.A O no hydrogen 3.379 N/A SER 131.A OG GLU 209.A OE1 no hydrogen 2.629 N/A LYS 132.A N GLU 209.A OE2 no hydrogen 2.826 N/A VAL 133.A N GLU 209.A OE2 no hydrogen 3.181 N/A ASN 134.A N SER 131.A OG no hydrogen 2.828 N/A ASN 134.A ND2 GLY 125.A O no hydrogen 2.910 N/A ASN 134.A ND2 SER 127.A OG no hydrogen 2.859 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.756 N/A TRP 136.A N ASN 134.A OD1 no hydrogen 2.949 N/A TRP 136.A NE1 SER 186.A O no hydrogen 2.772 N/A ASN 137.A ND2 ASN 134.A O no hydrogen 3.012 N/A VAL 139.A N ASN 137.A OD1 no hydrogen 2.857 N/A ASN 140.A N ASN 137.A OD1 no hydrogen 2.910 N/A ASN 140.A ND2 GLU 135.A O no hydrogen 2.961 N/A TYR 141.A N ASN 137.A O no hydrogen 3.081 N/A LEU 145.A N PRO 138.A O no hydrogen 2.902 N/A VAL 148.A N MET 128.A O no hydrogen 2.990 N/A LYS 149.A N.A ASP 146.A OD1 no hydrogen 2.951 N/A LYS 149.A N.B ASP 146.A OD1 no hydrogen 2.939 N/A LYS 149.A NZ.A ASP 153.A OD1 no hydrogen 2.912 N/A LEU 150.A N ASP 146.A O no hydrogen 2.976 N/A TRP 151.A N LEU 147.A O no hydrogen 2.930 N/A ALA 152.A N VAL 148.A O no hydrogen 2.889 N/A ASP 153.A N LYS 149.A O.A no hydrogen 2.882 N/A ASP 153.A N LYS 149.A O.B no hydrogen 2.887 N/A LEU 154.A N LEU 150.A O no hydrogen 3.106 N/A VAL 155.A N TRP 151.A O no hydrogen 2.854 N/A ARG 156.A N.A ALA 152.A O no hydrogen 3.029 N/A ARG 156.A N.B ALA 152.A O no hydrogen 3.032 N/A ARG 156.A NH1.B VAL 214.A O no hydrogen 2.805 N/A ARG 156.A NH2.B VAL 214.A O no hydrogen 2.892 N/A GLU 157.A N ASP 153.A O no hydrogen 2.965 N/A ASN 158.A N LEU 154.A O no hydrogen 3.108 N/A ASN 158.A N VAL 155.A O no hydrogen 3.178 N/A ASN 158.A ND2 LEU 154.A O no hydrogen 2.900 N/A ASP 159.A N.A ARG 156.A O.A no hydrogen 3.062 N/A ASP 159.A N.A ARG 156.A O.B no hydrogen 3.062 N/A ASP 159.A N.B ARG 156.A O.A no hydrogen 3.101 N/A ASP 159.A N.B ARG 156.A O.B no hydrogen 3.102 N/A MET 160.A N VAL 155.A O no hydrogen 3.279 N/A LYS 161.A N ARG 114.A O no hydrogen 3.063 N/A LEU 162.A N ASP 217.A OD2 no hydrogen 2.825 N/A VAL 163.A N ALA 116.A O no hydrogen 2.962 N/A ILE 164.A N ILE 218.A O no hydrogen 2.934 N/A ALA 165.A N PRO 118.A O no hydrogen 3.064 N/A MET 166.A N TRP 220.A O no hydrogen 2.810 N/A HIS 167.A N GLU 121.A O no hydrogen 2.834 N/A HIS 167.A ND1 ASP 222.A OD2 no hydrogen 2.836 N/A GLN 168.A N GLN 168.A OE1 no hydrogen 2.710 N/A GLN 168.A NE2 TRP 203.A O no hydrogen 3.051 N/A ASN 171.A ND2 HIS 123.A O no hydrogen 3.009 N/A ASN 171.A ND2 LEU 190.A O no hydrogen 3.007 N/A TYR 172.A N ALA 169.A O no hydrogen 3.392 N/A TYR 172.A OH ASP 200.A OD1 no hydrogen 2.718 N/A ASN 173.A N TYR 170.A O no hydrogen 2.989 N/A ASN 173.A ND2 ALA 169.A O no hydrogen 2.895 N/A ASN 173.A ND2 ALA 239.A O no hydrogen 3.034 N/A PHE 175.A N TYR 170.A O no hydrogen 3.081 N/A GLN 177.A N GLY 174.A O no hydrogen 2.937 N/A GLN 177.A NE2 SER 233.A OG no hydrogen 2.909 N/A ALA 179.A N PHE 176.A O no hydrogen 3.028 N/A THR 182.A N GLN 193.A OE1 no hydrogen 2.927 N/A ASP 184.A N THR 182.A OG1 no hydrogen 3.012 N/A SER 186.A OG GLU 135.A OE2 no hydrogen 2.681 N/A LEU 187.A N ASP 184.A OD1 no hydrogen 3.069 N/A GLN 188.A N ASP 184.A O no hydrogen 2.821 N/A GLN 188.A NE2 THR 182.A O no hydrogen 2.811 N/A LYS 189.A N THR 185.A O no hydrogen 3.207 N/A LYS 189.A N SER 186.A O no hydrogen 2.966 N/A LYS 189.A NZ VAL 133.A O no hydrogen 2.918 N/A LYS 189.A NZ GLU 135.A OE1 no hydrogen 2.790 N/A LEU 190.A N SER 186.A O no hydrogen 3.320 N/A LEU 191.A N LEU 187.A O no hydrogen 2.993 N/A GLN 193.A N GLN 188.A O no hydrogen 2.857 N/A GLN 193.A NE2 PRO 180.A O no hydrogen 2.931 N/A LEU 194.A N GLU 199.A OE2 no hydrogen 2.982 N/A ARG 196.A NH1 ASN 173.A OD1 no hydrogen 3.530 N/A ARG 196.A NH2 ASN 173.A OD1 no hydrogen 3.032 N/A GLU 199.A N PRO 195.A O no hydrogen 2.946 N/A ASP 200.A N ARG 196.A O no hydrogen 2.842 N/A GLN 201.A N ASP 197.A O no hydrogen 3.058 N/A GLN 201.A NE2 ASP 205.A OD1 no hydrogen 2.987 N/A LEU 202.A N GLU 198.A O no hydrogen 2.873 N/A TRP 203.A N GLU 199.A O no hydrogen 2.872 N/A PHE 204.A N ASP 200.A O no hydrogen 3.352 N/A ASP 205.A N GLN 201.A O no hydrogen 2.818 N/A LYS 206.A N LEU 202.A O no hydrogen 2.838 N/A LYS 206.A NZ GLU 121.A OE2 no hydrogen 2.619 N/A HIS 207.A N TRP 203.A O no hydrogen 3.299 N/A ARG 208.A N PHE 204.A O no hydrogen 2.852 N/A GLU 209.A N ASP 205.A O no hydrogen 2.968 N/A MET 210.A N LYS 206.A O no hydrogen 2.961 N/A LEU 211.A N HIS 207.A O no hydrogen 2.845 N/A ASP 212.A N ARG 208.A O no hydrogen 3.080 N/A HIS 213.A N GLU 209.A O no hydrogen 3.024 N/A HIS 213.A N MET 210.A O no hydrogen 3.054 N/A HIS 213.A NE2 ASP 146.A OD2 no hydrogen 2.726 N/A VAL 214.A N MET 210.A O no hydrogen 3.064 N/A GLN 215.A N LEU 211.A O no hydrogen 2.811 N/A ASP 217.A N LEU 162.A O no hydrogen 2.858 N/A ILE 218.A N LEU 162.A O no hydrogen 3.029 N/A ILE 219.A N VAL 264.A O no hydrogen 2.847 N/A TRP 220.A N ILE 164.A O no hydrogen 2.843 N/A TRP 220.A NE1 ASP 282.A OD2 no hydrogen 2.947 N/A ASN 221.A N THR 266.A O no hydrogen 3.010 N/A ASN 221.A ND2 THR 266.A O no hydrogen 3.072 N/A ASP 222.A N MET 166.A O no hydrogen 3.015 N/A PHE 223.A N ASP 222.A OD1 no hydrogen 2.762 N/A SER 224.A N SER 227.A OG.A no hydrogen 3.126 N/A SER 224.A N SER 227.A OG.B no hydrogen 2.851 N/A LEU 225.A N ASP 271.A OD2.A no hydrogen 3.014 N/A ASP 226.A N ASP 271.A OD1.A no hydrogen 2.756 N/A ASP 226.A N ASP 271.A OD1.B no hydrogen 2.820 N/A SER 227.A N.A CYS 238.A O no hydrogen 2.870 N/A SER 227.A N.B CYS 238.A O no hydrogen 2.894 N/A SER 227.A OG.A CYS 238.A O no hydrogen 3.548 N/A SER 227.A OG.B ASP 271.A OD1.B no hydrogen 2.701 N/A GLU 230.A N SER 227.A O.A no hydrogen 3.072 N/A GLU 230.A N SER 227.A O.B no hydrogen 3.094 N/A CYS 231.A SG ASN 173.A O no hydrogen 3.337 N/A CYS 231.A SG SER 224.A OG no hydrogen 3.706 N/A PHE 234.A N CYS 231.A O no hydrogen 3.357 N/A CYS 238.A SG SER 227.A O.A no hydrogen 3.048 N/A CYS 238.A SG SER 227.A O.B no hydrogen 3.074 N/A CYS 238.A SG SER 227.A OG.A no hydrogen 3.329 N/A ALA 239.A N ASN 173.A OD1 no hydrogen 3.266 N/A VAL 240.A N LEU 225.A O no hydrogen 2.839 N/A ASP 241.A N ASP 200.A OD1 no hydrogen 2.997 N/A LYS 244.A N ASP 241.A OD2 no hydrogen 3.212 N/A LYS 244.A NZ GLN 201.A OE1 no hydrogen 3.177 N/A LYS 244.A NZ GLU 247.A OE1 no hydrogen 2.903 N/A LYS 244.A NZ GLU 247.A OE2 no hydrogen 3.376 N/A ARG 245.A N ASP 241.A O no hydrogen 3.042 N/A ARG 245.A NE VAL 240.A O no hydrogen 2.812 N/A ARG 245.A NH1 GLY 273.A O no hydrogen 2.937 N/A ARG 245.A NH2 VAL 240.A O no hydrogen 3.190 N/A LEU 246.A N GLU 242.A O no hydrogen 2.992 N/A GLU 247.A N GLN 243.A O no hydrogen 2.882 N/A PHE 248.A N LYS 244.A O no hydrogen 2.944 N/A LEU 249.A N ARG 245.A O no hydrogen 3.043 N/A ALA 250.A N LEU 246.A O no hydrogen 3.001 N/A TYR 251.A N GLU 247.A O no hydrogen 2.857 N/A TYR 251.A OH ASP 212.A OD2 no hydrogen 2.576 N/A TYR 252.A N PHE 248.A O no hydrogen 2.864 N/A TYR 252.A OH PRO 216.A O no hydrogen 2.773 N/A PHE 253.A N LEU 249.A O no hydrogen 2.902 N/A ASN 254.A N ALA 250.A O no hydrogen 2.866 N/A ASN 254.A ND2 TYR 3.A O no hydrogen 3.047 N/A ARG 255.A N TYR 251.A O no hydrogen 2.940 N/A ARG 255.A NE ASP 212.A OD1 no hydrogen 2.979 N/A ARG 255.A NH1 GLU 258.A OE1 no hydrogen 2.607 N/A ARG 255.A NH2 TYR 251.A OH no hydrogen 2.789 N/A GLY 256.A N TYR 252.A O no hydrogen 2.900 N/A GLU 257.A N PHE 253.A O no hydrogen 3.170 N/A GLU 258.A N ASN 254.A O no hydrogen 3.005 N/A TRP 259.A N ARG 255.A O no hydrogen 2.744 N/A GLY 260.A N GLU 257.A O no hydrogen 3.193 N/A LYS 261.A N GLY 256.A O no hydrogen 2.983 N/A LYS 261.A NZ GLN 215.A O no hydrogen 2.756 N/A LYS 261.A NZ ASP 217.A OD1 no hydrogen 2.921 N/A VAL 264.A N ASP 217.A O no hydrogen 2.908 N/A THR 265.A OG1 ILE 219.A O no hydrogen 2.727 N/A THR 266.A N ILE 219.A O no hydrogen 3.043 N/A TYR 267.A N VAL 280.A O no hydrogen 3.134 N/A TYR 267.A OH ASP 281.A OD1 no hydrogen 2.754 N/A LYS 268.A NZ ASP 222.A OD1 no hydrogen 2.786 N/A LYS 268.A NZ GLU 284.A OE1 no hydrogen 2.818 N/A HIS 269.A N ASP 282.A O no hydrogen 2.851 N/A ASP 271.A N.A LYS 268.A O no hydrogen 2.920 N/A ASP 271.A N.B LYS 268.A O no hydrogen 2.910 N/A HIS 272.A N ASP 226.A O no hydrogen 2.868 N/A GLY 273.A N ASP 271.A OD1.A no hydrogen 2.767 N/A GLY 273.A N ASP 271.A OD2.B no hydrogen 2.953 N/A THR 277.A OG1 ASP 11.A OD1 no hydrogen 2.527 N/A SER 278.A N ARG 275.A O no hydrogen 3.240 N/A ALA 279.A N ARG 275.A O no hydrogen 2.964 N/A VAL 280.A N THR 265.A O no hydrogen 2.835 N/A ASP 282.A N TYR 267.A O no hydrogen 2.764 N/A TRP 283.A N GLN 297.A O no hydrogen 2.777 N/A GLU 284.A N SER 389.A OG.A no hydrogen 3.198 N/A ARG 285.A N ASP 299.A O no hydrogen 2.823 N/A ARG 285.A NH1 SER 303.A O no hydrogen 2.826 N/A ARG 285.A NH2 SER 303.A O no hydrogen 3.152 N/A GLY 287.A N GLY 388.A O no hydrogen 3.150 N/A VAL 292.A N LYS 331.A O no hydrogen 3.239 N/A ARG 293.A NH1 GLU 527.A OE1 no hydrogen 2.967 N/A TYR 295.A N GLU 527.A OE2 no hydrogen 3.024 N/A TYR 295.A OH ASN 334.A OD1 no hydrogen 2.656 N/A TRP 296.A N ASN 332.A O no hydrogen 3.414 N/A TRP 296.A NE1 LYS 331.A O no hydrogen 2.878 N/A GLN 297.A N ASP 281.A O no hydrogen 2.933 N/A GLN 297.A NE2 ASP 282.A OD2 no hydrogen 2.828 N/A THR 298.A N ASN 334.A O no hydrogen 2.888 N/A THR 298.A OG1 GLY 286.A O no hydrogen 2.638 N/A ASP 299.A N TRP 283.A O no hydrogen 2.992 N/A ASP 300.A N LEU 336.A O no hydrogen 2.931 N/A ALA 301.A N ASP 300.A OD1 no hydrogen 2.852 N/A ILE 302.A N ASN 338.A O no hydrogen 2.984 N/A SER 303.A OG SER 305.A OG no hydrogen 3.259 N/A SER 303.A OG LYS 314.A O no hydrogen 2.826 N/A SER 305.A N SER 303.A OG no hydrogen 3.142 N/A SER 305.A OG SER 303.A OG no hydrogen 3.259 N/A SER 306.A OG GLU 42.A OE1 no hydrogen 3.378 N/A SER 306.A OG SER 308.A O no hydrogen 2.634 N/A TRP 307.A N GLU 42.A OE1 no hydrogen 2.835 N/A SER 308.A N SER 306.A OG no hydrogen 2.973 N/A SER 308.A OG THR 35.A OG1 no hydrogen 2.903 N/A VAL 311.A N GLN 38.A O no hydrogen 3.017 N/A ILE 313.A N THR 310.A O no hydrogen 3.006 N/A TYR 316.A N ILE 302.A O no hydrogen 2.837 N/A SER 318.A OG.A ASP 357.A OD2 no hydrogen 2.575 N/A SER 318.A OG.B ASP 357.A OD2 no hydrogen 2.837 N/A ALA 320.A N SER 317.A OG no hydrogen 3.028 N/A MET 321.A N SER 317.A O no hydrogen 3.162 N/A VAL 322.A N SER 318.A O.A no hydrogen 2.856 N/A VAL 322.A N SER 318.A O.B no hydrogen 2.908 N/A HIS 323.A N LYS 319.A O no hydrogen 2.796 N/A HIS 323.A NE2 LEU 479.A O no hydrogen 2.896 N/A SER 324.A N ALA 320.A O no hydrogen 2.942 N/A SER 324.A OG ALA 320.A O no hydrogen 2.705 N/A LEU 325.A N MET 321.A O no hydrogen 2.989 N/A LEU 326.A N VAL 322.A O no hydrogen 3.005 N/A ASP 327.A N HIS 323.A O no hydrogen 2.930 N/A ARG 328.A N.A SER 324.A O no hydrogen 2.949 N/A ARG 328.A N.B SER 324.A O no hydrogen 2.922 N/A ARG 328.A NH1.B ASP 300.A OD2 no hydrogen 3.017 N/A ARG 328.A NH2.B ASP 300.A OD2 no hydrogen 3.364 N/A VAL 329.A N LEU 325.A O no hydrogen 2.920 N/A SER 330.A N LEU 326.A O no hydrogen 2.956 N/A SER 330.A OG LEU 326.A O no hydrogen 3.404 N/A SER 330.A OG ASP 327.A O no hydrogen 2.765 N/A SER 330.A OG TYR 378.A O no hydrogen 3.416 N/A LYS 331.A N ASP 327.A O no hydrogen 3.173 N/A LYS 331.A N ARG 328.A O.A no hydrogen 2.976 N/A LYS 331.A N ARG 328.A O.B no hydrogen 3.187 N/A LYS 331.A NZ PRO 288.A O no hydrogen 2.958 N/A LYS 331.A NZ ASP 327.A OD1 no hydrogen 3.349 N/A LYS 331.A NZ ASP 327.A OD2 no hydrogen 2.797 N/A ASN 332.A N VAL 329.A O no hydrogen 3.218 N/A ASN 332.A ND2 VAL 292.A O no hydrogen 3.015 N/A ASN 332.A ND2 GLU 527.A OE1 no hydrogen 2.816 N/A GLY 333.A N ARG 328.A O.A no hydrogen 2.987 N/A GLY 333.A N ARG 328.A O.B no hydrogen 2.951 N/A ASN 334.A N TRP 296.A O no hydrogen 3.045 N/A ASN 334.A ND2 TYR 20.A O no hydrogen 2.862 N/A MET 335.A N.A LYS 24.A O no hydrogen 2.835 N/A MET 335.A N.B LYS 24.A O no hydrogen 2.805 N/A LEU 336.A N THR 298.A O no hydrogen 2.771 N/A LEU 337.A N GLY 26.A O no hydrogen 2.840 N/A ASN 338.A N ASP 300.A O no hydrogen 2.757 N/A ASN 338.A ND2 TRP 307.A O no hydrogen 2.839 N/A ILE 339.A N TYR 28.A O no hydrogen 2.853 N/A SER 340.A N GLN 351.A OE1 no hydrogen 2.833 N/A SER 340.A OG TRP 307.A O no hydrogen 2.729 N/A MET 342.A N VAL 346.A O no hydrogen 2.841 N/A ALA 343.A N GLN 38.A OE1 no hydrogen 2.911 N/A GLY 345.A N MET 342.A O no hydrogen 2.886 N/A VAL 346.A N ASN 344.A OD1 no hydrogen 2.993 N/A GLN 351.A N PRO 348.A O no hydrogen 2.954 N/A GLN 351.A NE2 TYR 315.A OH no hydrogen 2.983 N/A GLN 351.A NE2 SER 340.A O no hydrogen 2.926 N/A ILE 352.A N PRO 348.A O no hydrogen 3.141 N/A LYS 353.A N GLU 349.A O no hydrogen 2.923 N/A LYS 353.A NZ ASP 357.A OD2 no hydrogen 3.176 N/A VAL 354.A N GLU 350.A O no hydrogen 3.233 N/A LEU 355.A N GLN 351.A O no hydrogen 3.033 N/A ASN 356.A N ILE 352.A O no hydrogen 2.797 N/A ASP 357.A N LYS 353.A O no hydrogen 2.926 N/A ILE 358.A N VAL 354.A O no hydrogen 2.934 N/A GLY 359.A N LEU 355.A O no hydrogen 2.921 N/A ASP 360.A N ASN 356.A O no hydrogen 2.838 N/A PHE 361.A N ASP 357.A O no hydrogen 3.096 N/A LEU 362.A N ILE 358.A O no hydrogen 2.903 N/A SER 363.A N.A GLY 359.A O no hydrogen 2.830 N/A SER 363.A N.B GLY 359.A O no hydrogen 2.816 N/A SER 363.A OG.A GLY 359.A O no hydrogen 3.004 N/A SER 363.A OG.A ASP 360.A O no hydrogen 3.291 N/A ARG 364.A N ASP 360.A O no hydrogen 3.287 N/A ARG 364.A N PHE 361.A O no hydrogen 3.245 N/A ARG 364.A NE GLY 448.A O no hydrogen 2.889 N/A ARG 364.A NH1 ALA 476.A O no hydrogen 3.038 N/A ARG 364.A NH1 GLU 477.A O no hydrogen 3.253 N/A ARG 364.A NH2 GLY 448.A O no hydrogen 3.464 N/A ARG 364.A NH2 ALA 476.A O no hydrogen 2.875 N/A TYR 365.A N PHE 361.A O no hydrogen 2.797 N/A TYR 365.A OH SER 478.A OG no hydrogen 2.848 N/A ALA 368.A N TYR 365.A O no hydrogen 2.946 N/A VAL 369.A N GLY 366.A O no hydrogen 2.896 N/A TYR 370.A N GLY 366.A O no hydrogen 2.882 N/A TYR 370.A OH GLY 112.A O no hydrogen 2.630 N/A ASP 371.A N ASP 22.A O no hydrogen 3.008 N/A THR 372.A N VAL 369.A O no hydrogen 3.298 N/A THR 372.A OG1 VAL 369.A O no hydrogen 2.732 N/A ARG 373.A N ARG 405.A O no hydrogen 2.941 N/A ARG 373.A NH1 ASP 22.A OD1 no hydrogen 2.774 N/A ARG 373.A NH1 THR 372.A O no hydrogen 2.859 N/A ARG 373.A NH2 GLU 18.A OE1 no hydrogen 2.695 N/A ARG 373.A NH2 ASP 22.A OD1 no hydrogen 2.903 N/A GLU 380.A N ILE 401.A O.A no hydrogen 2.863 N/A GLU 380.A N ILE 401.A O.B no hydrogen 2.980 N/A ASN 383.A N ASP 400.A OD1 no hydrogen 2.922 N/A ASN 383.A ND2 ASP 400.A OD2 no hydrogen 2.717 N/A GLN 384.A NE2 GLY 381.A O no hydrogen 3.015 N/A GLY 388.A N GLY 287.A O no hydrogen 2.855 N/A PHE 390.A N GLU 284.A O no hydrogen 2.918 N/A THR 391.A N ARG 285.A O no hydrogen 2.870 N/A THR 391.A OG1 GLY 388.A O no hydrogen 2.889 N/A LEU 394.A N SER 324.A OG no hydrogen 2.912 N/A GLY 396.A N HIS 323.A ND1 no hydrogen 2.892 N/A ASN 397.A N ASP 400.A OD2 no hydrogen 2.803 N/A SER 399.A N ASN 397.A OD1 no hydrogen 2.904 N/A ASP 400.A N ASN 397.A O no hydrogen 2.935 N/A ILE 401.A N.A GLU 380.A O no hydrogen 2.977 N/A ILE 401.A N.B GLU 380.A O no hydrogen 2.936 N/A ARG 402.A N THR 415.A O no hydrogen 2.862 N/A ARG 402.A NE ASP 327.A OD1 no hydrogen 2.854 N/A ARG 402.A NH1 ILE 401.A O.A no hydrogen 3.003 N/A ARG 402.A NH1 ILE 401.A O.B no hydrogen 2.723 N/A ARG 402.A NH2 ASP 327.A OD1 no hydrogen 3.394 N/A ARG 402.A NH2 ASN 383.A O no hydrogen 2.986 N/A PHE 403.A N TYR 378.A O no hydrogen 2.846 N/A THR 404.A N TYR 413.A O no hydrogen 3.098 N/A THR 404.A OG1 ALA 368.A O no hydrogen 2.733 N/A ARG 405.A N ARG 373.A O no hydrogen 2.890 N/A ARG 405.A NE ALA 374.A O no hydrogen 3.168 N/A ARG 405.A NH1 ASN 406.A O no hydrogen 2.955 N/A ASN 406.A N VAL 411.A O no hydrogen 3.040 N/A ASN 406.A ND2 ASP 410.A OD1 no hydrogen 2.943 N/A LYS 407.A NZ ASP 22.A OD1 no hydrogen 2.940 N/A LYS 407.A NZ ASP 22.A OD2 no hydrogen 3.036 N/A ASP 409.A N ASN 406.A O no hydrogen 3.057 N/A ASP 410.A N ASN 406.A OD1 no hydrogen 2.982 N/A VAL 411.A N ASN 406.A OD1 no hydrogen 3.026 N/A LEU 412.A N LEU 485.A O no hydrogen 2.932 N/A TYR 413.A N THR 404.A O no hydrogen 2.775 N/A TYR 413.A OH GLU 367.A OE2 no hydrogen 2.613 N/A VAL 414.A N LEU 483.A O no hydrogen 2.850 N/A THR 415.A N ARG 402.A O no hydrogen 2.944 N/A VAL 416.A N.A TYR 481.A O no hydrogen 2.806 N/A VAL 416.A N.B TYR 481.A O no hydrogen 2.772 N/A LEU 417.A N ASP 400.A O no hydrogen 2.972 N/A ASN 423.A N PRO 420.A O no hydrogen 2.936 N/A LEU 424.A N ASP 422.A OD1 no hydrogen 3.179 N/A VAL 425.A N ILE 469.A O no hydrogen 2.895 N/A SER 426.A OG ASP 468.A OD1 no hydrogen 2.753 N/A VAL 427.A N LEU 467.A O no hydrogen 2.804 N/A LYS 428.A N GLU 380.A OE1 no hydrogen 2.796 N/A ASN 429.A N GLU 380.A OE2 no hydrogen 2.745 N/A ASN 429.A ND2 GLU 380.A OE2 no hydrogen 2.648 N/A LEU 430.A N VAL 427.A O no hydrogen 3.103 N/A GLY 431.A N LYS 428.A O no hydrogen 3.101 N/A SER 432.A N.A SER 463.A O no hydrogen 2.961 N/A SER 432.A N.B SER 463.A O no hydrogen 2.929 N/A SER 432.A OG.A SER 463.A O no hydrogen 3.261 N/A SER 432.A OG.B SER 463.A O no hydrogen 3.548 N/A ASN 433.A N LYS 464.A O no hydrogen 2.917 N/A ALA 434.A N GLY 431.A O no hydrogen 3.213 N/A LEU 435.A N SER 432.A O.A no hydrogen 2.886 N/A LEU 435.A N SER 432.A O.B no hydrogen 2.785 N/A GLU 439.A N ASP 437.A OD1 no hydrogen 2.977 N/A LEU 441.A N LEU 438.A O no hydrogen 2.974 N/A LYS 442.A N THR 486.A O no hydrogen 2.864 N/A SER 443.A N THR 486.A O no hydrogen 3.441 N/A GLU 445.A N LYS 484.A O no hydrogen 2.977 N/A LEU 446.A N VAL 455.A O no hydrogen 2.800 N/A LEU 447.A N VAL 482.A O no hydrogen 2.871 N/A GLY 448.A N ASP 453.A O.A no hydrogen 2.796 N/A GLY 448.A N ASP 453.A O.B no hydrogen 3.085 N/A LYS 450.A NZ ASP 453.A OD1.B no hydrogen 3.453 N/A LYS 450.A NZ ASP 453.A OD2.A no hydrogen 2.773 N/A ASP 453.A N.A LYS 450.A O no hydrogen 3.045 N/A ASP 453.A N.B LYS 450.A O no hydrogen 2.999 N/A TYR 454.A OH GLU 367.A OE1 no hydrogen 2.555 N/A TYR 454.A OH GLU 367.A OE2 no hydrogen 3.430 N/A VAL 455.A N LEU 446.A O no hydrogen 2.839 N/A VAL 457.A N VAL 444.A O no hydrogen 2.989 N/A GLU 461.A N ASP 468.A O no hydrogen 2.984 N/A GLN 462.A NE2 LEU 430.A O no hydrogen 2.855 N/A GLN 462.A NE2 VAL 436.A O no hydrogen 2.835 N/A SER 463.A N ALA 466.A O no hydrogen 2.805 N/A SER 463.A OG ALA 466.A O no hydrogen 3.039 N/A SER 463.A OG ASP 468.A OD2 no hydrogen 2.889 N/A ALA 466.A N SER 463.A OG no hydrogen 3.125 N/A LEU 467.A N VAL 427.A O no hydrogen 2.885 N/A ASP 468.A N GLU 461.A O no hydrogen 2.690 N/A ILE 469.A N VAL 425.A O no hydrogen 2.837 N/A THR 470.A N GLU 459.A O no hydrogen 2.906 N/A LEU 471.A N ASN 423.A O no hydrogen 2.856 N/A GLN 474.A NE2 TYR 481.A OH no hydrogen 3.160 N/A ALA 476.A N ASP 449.A OD1 no hydrogen 2.977 N/A SER 478.A N TYR 481.A OH no hydrogen 3.059 N/A SER 478.A OG TYR 365.A OH no hydrogen 2.848 N/A SER 478.A OG ALA 480.A O no hydrogen 2.789 N/A TYR 481.A N VAL 416.A O.A no hydrogen 2.904 N/A TYR 481.A N VAL 416.A O.B no hydrogen 2.901 N/A LEU 483.A N VAL 414.A O no hydrogen 2.840 N/A LYS 484.A N GLU 445.A O no hydrogen 2.711 N/A LYS 484.A NZ GLU 367.A OE2 no hydrogen 2.800 N/A LYS 484.A NZ TYR 454.A OH no hydrogen 3.444 N/A LEU 485.A N LEU 412.A O no hydrogen 2.840 N/A THR 486.A N SER 443.A O no hydrogen 2.949 N/A PHE 487.A N ASP 410.A O no hydrogen 2.781 N/A ASP 488.A N SER 440.A O no hydrogen 2.783 N/A ILE 491.A N ASP 409.A O no hydrogen 3.056 N/A GLN 495.A N ALA 434.A O no hydrogen 2.859 N/A GLN 495.A NE2 ARG 539.A O no hydrogen 2.948 N/A GLN 495.A NE2 SER 541.A OG no hydrogen 2.862 N/A ARG 498.A NH1 GLU 497.A O no hydrogen 2.784 N/A GLY 499.A N THR 544.A OG1 no hydrogen 3.195 N/A ALA 500.A N LEU 515.A O no hydrogen 2.919 N/A ALA 501.A N ARG 539.A O no hydrogen 2.853 N/A VAL 502.A N VAL 513.A O no hydrogen 2.924 N/A PHE 503.A N SER 537.A O no hydrogen 2.917 N/A SER 504.A N LYS 511.A O no hydrogen 2.934 N/A LYS 505.A N THR 509.A O no hydrogen 3.203 N/A ALA 508.A N SER 537.A OG no hydrogen 2.940 N/A THR 509.A OG1 ASP 507.A OD1 no hydrogen 2.378 N/A LYS 511.A N SER 504.A OG no hydrogen 3.005 N/A VAL 513.A N VAL 502.A O no hydrogen 2.948 N/A ALA 514.A N ASP 376.A OD2 no hydrogen 3.198 N/A LEU 515.A N ALA 500.A O no hydrogen 2.752 N/A GLY 518.A N VAL 578.A O no hydrogen 2.933 N/A PHE 520.A N ILE 576.A O no hydrogen 2.826 N/A THR 522.A N PHE 552.A O no hydrogen 3.028 N/A THR 522.A OG1 PHE 552.A O no hydrogen 3.472 N/A THR 522.A OG1 GLY 574.A O no hydrogen 2.603 N/A PHE 524.A N ASP 521.A OD1 no hydrogen 2.845 N/A LEU 525.A N ASP 521.A O no hydrogen 3.042 N/A THR 526.A N THR 522.A O no hydrogen 2.967 N/A THR 526.A OG1 THR 522.A O no hydrogen 2.849 N/A GLU 527.A N VAL 523.A O no hydrogen 2.945 N/A ALA 528.A N PHE 524.A O no hydrogen 2.875 N/A GLY 529.A N THR 526.A O no hydrogen 2.995 N/A LEU 530.A N LEU 525.A O no hydrogen 2.999 N/A GLU 533.A N GLU 533.A OE1 no hydrogen 2.907 N/A GLU 534.A N LYS 531.A O no hydrogen 2.893 N/A ILE 535.A N PRO 532.A O no hydrogen 3.091 N/A ARG 536.A N PHE 503.A O no hydrogen 2.801 N/A ARG 536.A NH2 GLU 567.A OE1 no hydrogen 3.135 N/A SER 537.A N PHE 503.A O no hydrogen 3.340 N/A SER 537.A OG LYS 505.A O no hydrogen 2.671 N/A ILE 538.A N HIS 566.A O no hydrogen 2.884 N/A ARG 539.A N ALA 501.A O no hydrogen 2.810 N/A ARG 539.A NE GLN 495.A OE1 no hydrogen 2.892 N/A ARG 539.A NH2 GLU 565.A OE2 no hydrogen 3.362 N/A VAL 540.A N GLY 564.A O no hydrogen 2.817 N/A SER 541.A N GLY 499.A O no hydrogen 2.890 N/A SER 541.A OG PRO 496.A O no hydrogen 2.617 N/A SER 541.A OG GLY 499.A O no hydrogen 3.148 N/A THR 544.A N SER 541.A O no hydrogen 3.206 N/A THR 544.A OG1 SER 541.A O no hydrogen 3.389 N/A THR 544.A OG1 ASP 542.A O no hydrogen 3.114 N/A LYS 545.A N SER 579.A O.A no hydrogen 2.769 N/A LYS 545.A N SER 579.A O.B no hydrogen 2.771 N/A LYS 545.A NZ GLU 560.A OE1 no hydrogen 3.332 N/A ALA 546.A N LEU 561.A O no hydrogen 2.926 N/A THR 547.A N VAL 577.A O no hydrogen 2.769 N/A LEU 548.A N LYS 559.A O no hydrogen 2.833 N/A PHE 549.A N SER 575.A O no hydrogen 2.833 N/A SER 550.A N GLU 557.A O no hydrogen 2.809 N/A SER 550.A OG GLU 557.A O no hydrogen 3.561 N/A GLY 551.A N THR 555.A O no hydrogen 2.857 N/A ARG 553.A NE ASP 521.A OD2 no hydrogen 2.745 N/A ARG 553.A NH2 ASP 521.A OD2 no hydrogen 3.055 N/A PHE 554.A N SER 575.A OG no hydrogen 2.867 N/A GLU 557.A N SER 550.A OG no hydrogen 2.963 N/A LYS 559.A N LEU 548.A O no hydrogen 2.922 N/A LEU 561.A N ALA 546.A O no hydrogen 2.726 N/A GLY 564.A N VAL 540.A O no hydrogen 2.848 N/A HIS 566.A N ILE 538.A O no hydrogen 2.829 N/A HIS 566.A NE2 SER 562.A O no hydrogen 2.734 N/A VAL 568.A N ARG 536.A O no hydrogen 2.769 N/A GLY 571.A N GLU 533.A O no hydrogen 2.877 N/A SER 572.A N GLU 569.A O no hydrogen 3.176 N/A SER 572.A OG GLU 569.A O no hydrogen 2.511 N/A GLY 574.A N PHE 549.A O no hydrogen 2.759 N/A SER 575.A N PHE 549.A O no hydrogen 3.201 N/A SER 575.A OG GLY 551.A O no hydrogen 2.784 N/A ILE 576.A N PHE 520.A O no hydrogen 2.883 N/A VAL 577.A N THR 547.A O no hydrogen 2.918 N/A VAL 578.A N GLY 518.A O no hydrogen 2.843 N/A SER 579.A N.A LYS 545.A O no hydrogen 2.853 N/A SER 579.A N.B LYS 545.A O no hydrogen 2.871 N/A ILE 581.A N GLY 543.A O no hydrogen 3.010 N/A