Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gg1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LYS 164.A O no hydrogen 2.843 N/A HIS 4.A N TRP 162.A O no hydrogen 2.878 N/A HIS 4.A NE2 LYS 32.A O no hydrogen 2.780 N/A GLY 5.A N SER 2.A OG no hydrogen 2.946 N/A THR 6.A N SER 2.A O no hydrogen 2.920 N/A THR 6.A OG1 SER 2.A O no hydrogen 2.958 N/A THR 7.A N VAL 3.A O no hydrogen 2.857 N/A THR 7.A OG1 VAL 3.A O no hydrogen 2.792 N/A TYR 8.A N HIS 4.A O no hydrogen 3.066 N/A TYR 8.A OH PHE 30.A O no hydrogen 2.772 N/A GLU 9.A N GLY 5.A O no hydrogen 3.008 N/A LEU 10.A N THR 6.A O no hydrogen 2.915 N/A LEU 11.A N THR 7.A O no hydrogen 2.904 N/A ARG 12.A N TYR 8.A O no hydrogen 2.954 N/A ARG 12.A NE ASP 37.A OD2 no hydrogen 2.802 N/A ARG 12.A NH1 GLU 9.A OE1 no hydrogen 2.867 N/A ARG 12.A NH2 ASP 37.A OD1 no hydrogen 2.956 N/A ARG 13.A N GLU 9.A O no hydrogen 2.877 N/A ARG 13.A NE ASP 175.A OD1 no hydrogen 2.807 N/A ARG 13.A NH1 GLU 9.A OE2 no hydrogen 2.869 N/A ARG 13.A NH2 ASP 175.A OD1 no hydrogen 3.500 N/A ARG 13.A NH2 ASP 175.A OD2 no hydrogen 2.911 N/A GLN 14.A N LEU 10.A O no hydrogen 2.947 N/A GLN 14.A N LEU 11.A O no hydrogen 3.082 N/A GLN 14.A NE2 PHE 174.A O no hydrogen 2.873 N/A GLN 14.A NE2 ARG 176.A O no hydrogen 2.985 N/A GLY 15.A N ARG 12.A O no hydrogen 3.037 N/A ILE 16.A N LEU 11.A O no hydrogen 2.901 N/A THR 18.A OG1 ASP 17.A OD1 no hydrogen 2.842 N/A VAL 19.A N ARG 39.A O.A no hydrogen 2.773 N/A VAL 19.A N ARG 39.A O.B no hydrogen 2.857 N/A PHE 20.A N PHE 65.A O no hydrogen 2.918 N/A GLY 21.A N ILE 41.A O no hydrogen 2.995 N/A ASN 22.A N ASN 67.A O no hydrogen 3.273 N/A ASN 22.A ND2 ALA 43.A O no hydrogen 2.876 N/A ASN 26.A ND2 GLY 96.A O no hydrogen 3.106 N/A ASN 26.A ND2 LEU 109.A O no hydrogen 3.039 N/A GLU 27.A N GLY 24.A O no hydrogen 3.090 N/A LEU 28.A N SER 25.A O.B no hydrogen 3.167 N/A PHE 30.A N GLU 27.A O no hydrogen 2.989 N/A LEU 31.A N GLU 27.A O no hydrogen 2.958 N/A LYS 32.A N LEU 28.A O no hydrogen 2.885 N/A LYS 32.A NZ PRO 29.A O no hydrogen 2.863 N/A LYS 32.A NZ ASP 163.A OD1 no hydrogen 2.749 N/A PHE 38.A N PRO 35.A O no hydrogen 3.059 N/A ARG 39.A N.A ASP 17.A O no hydrogen 2.916 N/A ARG 39.A N.B ASP 17.A O no hydrogen 2.985 N/A ARG 39.A NE.B THR 18.A OG1 no hydrogen 2.874 N/A ILE 41.A N VAL 19.A O no hydrogen 2.818 N/A LEU 42.A N TYR 443.A OH no hydrogen 3.001 N/A ALA 43.A N GLY 21.A O no hydrogen 3.181 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.742 N/A ALA 47.A N GLN 45.A OE1 no hydrogen 2.821 N/A CYS 48.A SG SER 433.A O no hydrogen 3.791 N/A CYS 48.A SG SER 435.A OG no hydrogen 3.468 N/A VAL 49.A N GLN 45.A O no hydrogen 3.020 N/A VAL 50.A N GLU 46.A O no hydrogen 3.000 N/A GLY 51.A N ALA 47.A O no hydrogen 2.938 N/A ILE 52.A N CYS 48.A O no hydrogen 2.895 N/A ALA 53.A N VAL 49.A O no hydrogen 3.040 N/A ASP 54.A N VAL 50.A O no hydrogen 2.813 N/A GLY 55.A N GLY 51.A O no hydrogen 2.975 N/A TYR 56.A N ILE 52.A O no hydrogen 2.972 N/A ALA 57.A N ALA 53.A O no hydrogen 2.836 N/A GLN 58.A N ASP 54.A O no hydrogen 2.869 N/A GLN 58.A NE2 ASP 54.A OD1 no hydrogen 2.872 N/A ALA 59.A N GLY 55.A O no hydrogen 2.990 N/A SER 60.A N.A TYR 56.A O no hydrogen 2.903 N/A SER 60.A N.B TYR 56.A O no hydrogen 2.839 N/A SER 60.A OG.A TYR 56.A O no hydrogen 2.718 N/A SER 60.A OG.A ALA 57.A O no hydrogen 3.478 N/A SER 60.A OG.B TYR 56.A O no hydrogen 2.787 N/A ARG 61.A N ALA 57.A O no hydrogen 2.839 N/A ARG 61.A NE ASP 211.A O no hydrogen 2.910 N/A ARG 61.A NE ALA 212.A O no hydrogen 3.257 N/A ARG 61.A NH2 ASP 211.A O no hydrogen 2.945 N/A ARG 61.A NH2 ASP 211.A OD1 no hydrogen 3.389 N/A LYS 62.A N ALA 57.A O no hydrogen 3.403 N/A ALA 64.A N PRO 90.A O no hydrogen 3.013 N/A ILE 66.A N ILE 92.A O no hydrogen 2.875 N/A ASN 67.A N PHE 20.A O no hydrogen 2.911 N/A ASN 67.A ND2 THR 94.A OG1 no hydrogen 3.044 N/A LEU 68.A N THR 94.A O no hydrogen 2.813 N/A HIS 69.A ND1 GLU 27.A OE1 no hydrogen 2.725 N/A SER 70.A N GLU 27.A OE2 no hydrogen 3.266 N/A SER 70.A OG LEU 109.A O no hydrogen 2.743 N/A GLY 73.A N HIS 69.A O no hydrogen 2.787 N/A THR 74.A N SER 70.A O no hydrogen 3.151 N/A THR 74.A OG1 SER 70.A O no hydrogen 2.708 N/A THR 74.A OG1 TYR 154.A OH no hydrogen 2.773 N/A GLY 75.A N ALA 71.A O no hydrogen 2.716 N/A ASN 76.A N ALA 72.A O no hydrogen 2.946 N/A ASN 76.A ND2 GLU 46.A OE1 no hydrogen 2.915 N/A ALA 77.A N THR 74.A O no hydrogen 2.962 N/A MET 78.A N.A GLY 75.A O no hydrogen 3.054 N/A MET 78.A N.B GLY 75.A O no hydrogen 3.095 N/A LEU 81.A N ALA 77.A O no hydrogen 2.977 N/A SER 82.A N.A MET 78.A O.A no hydrogen 3.041 N/A SER 82.A N.A MET 78.A O.B no hydrogen 3.074 N/A SER 82.A N.B MET 78.A O.A no hydrogen 2.973 N/A SER 82.A N.B MET 78.A O.B no hydrogen 3.007 N/A SER 82.A N.B GLY 79.A O no hydrogen 3.108 N/A SER 82.A OG.A GLY 79.A O no hydrogen 2.755 N/A ASN 83.A N GLY 79.A O no hydrogen 3.423 N/A ASN 83.A ND2 GLY 401.A O no hydrogen 2.931 N/A ALA 84.A N ALA 80.A O no hydrogen 3.037 N/A TRP 85.A N LEU 81.A O no hydrogen 2.873 N/A ASN 86.A N.A SER 82.A O.A no hydrogen 3.289 N/A ASN 86.A N.B SER 82.A O.A no hydrogen 3.301 N/A ASN 86.A ND2.A ALA 398.A O no hydrogen 2.984 N/A SER 87.A N ASN 83.A O no hydrogen 3.006 N/A SER 87.A OG ASN 83.A O no hydrogen 3.184 N/A SER 87.A OG ALA 84.A O no hydrogen 3.289 N/A SER 87.A OG SER 89.A OG no hydrogen 2.622 N/A HIS 88.A N TRP 85.A O no hydrogen 3.243 N/A HIS 88.A ND1 ASP 209.A OD1 no hydrogen 2.798 N/A HIS 88.A NE2 ASP 300.A OD2 no hydrogen 2.749 N/A SER 89.A N ALA 84.A O no hydrogen 2.991 N/A SER 89.A OG ASP 54.A OD1 no hydrogen 2.620 N/A SER 89.A OG SER 87.A OG no hydrogen 2.622 N/A ILE 92.A N ALA 64.A O no hydrogen 2.858 N/A VAL 93.A N VAL 153.A O no hydrogen 2.897 N/A THR 94.A N ILE 66.A O no hydrogen 2.895 N/A THR 94.A OG1 ILE 66.A O no hydrogen 2.870 N/A ALA 95.A N LEU 155.A O no hydrogen 2.946 N/A GLY 96.A N LEU 68.A O no hydrogen 3.278 N/A GLN 97.A N VAL 157.A O no hydrogen 2.931 N/A GLN 97.A NE2 ASN 111.A O no hydrogen 2.883 N/A GLN 97.A NE2 GLU 127.A OE1.A no hydrogen 2.882 N/A GLN 98.A N GLN 97.A OE1 no hydrogen 2.895 N/A GLN 98.A NE2 LEU 108.A O no hydrogen 2.829 N/A THR 99.A N GLN 98.A OE1 no hydrogen 2.996 N/A ARG 100.A N ASP 160.A OD1 no hydrogen 2.921 N/A ARG 100.A NE ASP 161.A OD1 no hydrogen 2.812 N/A ARG 100.A NH1 PRO 128.A O no hydrogen 3.149 N/A ARG 100.A NH2 PRO 128.A O no hydrogen 2.983 N/A ARG 100.A NH2 ASP 161.A OD1 no hydrogen 3.507 N/A ARG 100.A NH2 ASP 161.A OD2 no hydrogen 2.747 N/A MET 102.A N.A THR 99.A O no hydrogen 2.932 N/A MET 102.A N.B THR 99.A O no hydrogen 2.838 N/A MET 102.A N.C THR 99.A O no hydrogen 2.847 N/A ILE 103.A N ARG 100.A O no hydrogen 3.362 N/A GLU 106.A N ILE 103.A O no hydrogen 2.994 N/A ALA 107.A N MET 102.A O.A no hydrogen 3.396 N/A ALA 107.A N MET 102.A O.B no hydrogen 3.372 N/A ALA 107.A N MET 102.A O.C no hydrogen 3.395 N/A THR 110.A N ALA 107.A O no hydrogen 2.994 N/A THR 110.A OG1 ALA 107.A O no hydrogen 2.771 N/A ASN 111.A N GLN 97.A OE1 no hydrogen 2.827 N/A ASN 116.A N ASP 113.A O.A no hydrogen 2.901 N/A ASN 116.A N ASP 113.A O.B no hydrogen 3.041 N/A ASN 116.A ND2 ASP 113.A OD2.A no hydrogen 2.870 N/A LEU 117.A N ALA 114.A O no hydrogen 3.011 N/A ARG 119.A NH1 ASN 116.A OD1 no hydrogen 2.744 N/A LEU 121.A N PRO 118.A O no hydrogen 2.895 N/A LYS 123.A N PRO 152.A O no hydrogen 2.793 N/A LYS 123.A NZ MET 144.A O no hydrogen 2.761 N/A LYS 123.A NZ PRO 149.A O no hydrogen 2.716 N/A SER 125.A OG.A ALA 115.A O no hydrogen 2.714 N/A SER 125.A OG.B ALA 115.A O no hydrogen 2.823 N/A TYR 126.A N TYR 154.A O no hydrogen 2.980 N/A TYR 126.A OH GLU 133.A OE2 no hydrogen 2.526 N/A ALA 129.A N GLU 133.A OE1 no hydrogen 2.826 N/A GLU 133.A N SER 130.A O no hydrogen 3.200 N/A VAL 134.A N ALA 131.A O no hydrogen 2.947 N/A ALA 137.A N GLU 133.A O no hydrogen 2.914 N/A MET 138.A N VAL 134.A O no hydrogen 2.847 N/A SER 139.A N PRO 135.A O no hydrogen 2.875 N/A ARG 140.A N HIS 136.A O.A no hydrogen 2.942 N/A ARG 140.A N HIS 136.A O.B no hydrogen 2.919 N/A ALA 141.A N ALA 137.A O no hydrogen 2.948 N/A ILE 142.A N MET 138.A O no hydrogen 2.902 N/A HIS 143.A N SER 139.A O no hydrogen 3.032 N/A MET 144.A N ARG 140.A O no hydrogen 2.796 N/A ALA 145.A N ALA 141.A O no hydrogen 2.985 N/A SER 146.A N ILE 142.A O no hydrogen 3.151 N/A SER 146.A N HIS 143.A O no hydrogen 3.135 N/A SER 146.A OG ILE 142.A O no hydrogen 2.766 N/A MET 147.A N HIS 143.A O no hydrogen 2.912 N/A ALA 148.A N SER 180.A OG no hydrogen 3.000 N/A GLN 150.A NE2 SER 146.A O no hydrogen 2.924 N/A GLY 151.A N ALA 145.A O no hydrogen 3.261 N/A VAL 153.A N LEU 91.A O no hydrogen 2.894 N/A TYR 154.A N TRP 124.A O no hydrogen 2.933 N/A TYR 154.A OH THR 74.A OG1 no hydrogen 2.773 N/A LEU 155.A N VAL 93.A O no hydrogen 2.874 N/A SER 156.A N TYR 126.A O no hydrogen 2.965 N/A SER 156.A OG GLU 127.A OE1.A no hydrogen 2.765 N/A VAL 157.A N ALA 95.A O no hydrogen 3.011 N/A TYR 159.A N GLN 97.A O no hydrogen 2.961 N/A ASP 161.A N PRO 158.A O no hydrogen 2.979 N/A LYS 164.A N ASP 161.A O no hydrogen 3.098 N/A ALA 166.A N ALA 1.A O no hydrogen 2.859 N/A GLN 169.A N ASP 167.A OD1 no hydrogen 2.946 N/A SER 170.A N ASP 167.A O no hydrogen 2.961 N/A SER 170.A OG ASP 167.A O no hydrogen 3.226 N/A HIS 171.A N PRO 168.A O no hydrogen 3.408 N/A HIS 172.A N GLN 169.A O no hydrogen 3.292 N/A LEU 173.A N SER 170.A O no hydrogen 2.917 N/A PHE 174.A N HIS 171.A O no hydrogen 3.133 N/A ARG 176.A N LEU 173.A O no hydrogen 3.360 N/A SER 181.A N.A SER 179.A OG no hydrogen 3.030 N/A SER 181.A N.B SER 179.A OG no hydrogen 3.041 N/A ARG 183.A NH1 LEU 184.A O no hydrogen 2.844 N/A ARG 183.A NH1 ASP 186.A OD1 no hydrogen 2.763 N/A ARG 183.A NH2 ASP 186.A OD1 no hydrogen 3.159 N/A ASN 185.A ND2 ASP 188.A OD2 no hydrogen 2.898 N/A ASP 188.A N ASN 185.A OD1 no hydrogen 2.905 N/A LEU 189.A N ASN 185.A O no hydrogen 2.839 N/A ASP 190.A N ASP 186.A O no hydrogen 2.881 N/A ILE 191.A N GLN 187.A O no hydrogen 3.198 N/A LEU 192.A N ASP 188.A O no hydrogen 3.016 N/A VAL 193.A N LEU 189.A O no hydrogen 2.826 N/A LYS 194.A N ASP 190.A O no hydrogen 2.941 N/A ALA 195.A N ILE 191.A O no hydrogen 2.976 N/A LEU 196.A N LEU 192.A O no hydrogen 2.987 N/A ASN 197.A N VAL 193.A O no hydrogen 2.816 N/A SER 198.A N.A LYS 194.A O no hydrogen 2.931 N/A SER 198.A N.B LYS 194.A O no hydrogen 2.977 N/A SER 198.A OG.A LYS 194.A O no hydrogen 2.831 N/A SER 198.A OG.B LYS 194.A O no hydrogen 3.083 N/A SER 198.A OG.B ALA 195.A O no hydrogen 3.472 N/A ALA 199.A N LEU 196.A O no hydrogen 3.283 N/A SER 200.A N ASP 267.A OD2 no hydrogen 2.837 N/A SER 200.A OG ASP 267.A OD2 no hydrogen 3.105 N/A ASN 201.A N ASP 267.A OD1 no hydrogen 2.807 N/A ASN 201.A ND2 GLY 265.A O no hydrogen 2.870 N/A ALA 203.A N VAL 268.A O no hydrogen 2.995 N/A ILE 204.A N PRO 229.A O no hydrogen 2.955 N/A VAL 205.A N LEU 270.A O no hydrogen 2.850 N/A LEU 206.A N TRP 231.A O.A no hydrogen 2.879 N/A LEU 206.A N TRP 231.A O.B no hydrogen 2.878 N/A GLY 207.A N ILE 272.A O no hydrogen 2.935 N/A ASP 209.A N GLY 273.A O no hydrogen 3.047 N/A VAL 210.A N GLY 207.A O no hydrogen 3.145 N/A ALA 212.A N PRO 208.A O no hydrogen 2.966 N/A ALA 213.A N ASP 209.A O no hydrogen 3.014 N/A ASN 214.A N ASP 211.A O no hydrogen 2.993 N/A ALA 215.A N VAL 210.A O no hydrogen 2.954 N/A ASN 216.A ND2 ASP 211.A OD1 no hydrogen 2.976 N/A ASN 216.A ND2 CYS 239.A O no hydrogen 3.461 N/A CYS 219.A N ALA 215.A O no hydrogen 2.893 N/A CYS 219.A SG ALA 215.A O no hydrogen 3.463 N/A VAL 220.A N ASN 216.A O no hydrogen 2.931 N/A MET 221.A N ALA 217.A O no hydrogen 3.045 N/A LEU 222.A N ASP 218.A O no hydrogen 2.893 N/A ALA 223.A N CYS 219.A O no hydrogen 2.909 N/A GLU 224.A N VAL 220.A O no hydrogen 2.916 N/A ARG 225.A N MET 221.A O no hydrogen 2.904 N/A ARG 225.A NH1 GLU 330.A OE1 no hydrogen 3.018 N/A LEU 226.A N LEU 222.A O no hydrogen 2.924 N/A LYS 227.A N.A GLU 224.A O no hydrogen 3.222 N/A LYS 227.A N.B GLU 224.A O no hydrogen 3.288 N/A LYS 227.A NZ.A GLU 224.A O no hydrogen 2.910 N/A LYS 227.A NZ.A ARG 225.A O no hydrogen 3.521 N/A LYS 227.A NZ.A GLU 330.A OE2 no hydrogen 2.829 N/A LYS 227.A NZ.A SER 331.A O no hydrogen 3.125 N/A LYS 227.A NZ.B SER 331.A O no hydrogen 2.598 N/A LYS 227.A NZ.B ARG 333.A O no hydrogen 2.811 N/A ALA 228.A N ALA 223.A O no hydrogen 3.009 N/A VAL 230.A N CYS 247.A O no hydrogen 2.891 N/A TRP 231.A N.A ILE 204.A O no hydrogen 2.921 N/A TRP 231.A N.B ILE 204.A O no hydrogen 2.850 N/A VAL 232.A N GLY 250.A O no hydrogen 2.908 N/A ALA 233.A N LEU 206.A O no hydrogen 2.883 N/A SER 235.A OG ARG 278.A O.A no hydrogen 2.834 N/A SER 235.A OG ARG 278.A O.B no hydrogen 2.786 N/A ARG 238.A NE ASP 211.A OD2 no hydrogen 2.771 N/A ARG 238.A NH1 GLN 58.A O no hydrogen 3.340 N/A ARG 238.A NH2 GLN 58.A O no hydrogen 3.002 N/A ARG 238.A NH2 ASP 211.A OD2 no hydrogen 3.021 N/A CYS 239.A SG PHE 241.A O no hydrogen 3.133 N/A THR 243.A N MET 388.A O no hydrogen 3.103 N/A THR 243.A OG1 LEU 386.A O no hydrogen 2.970 N/A ARG 244.A NH1 THR 243.A O no hydrogen 3.034 N/A ARG 244.A NH2 GLN 384.A O no hydrogen 2.887 N/A HIS 245.A N PRO 242.A O no hydrogen 3.192 N/A HIS 245.A NE2 GLU 224.A OE2 no hydrogen 2.806 N/A CYS 247.A N HIS 245.A ND1 no hydrogen 2.982 N/A CYS 247.A SG ALA 223.A O no hydrogen 4.041 N/A CYS 247.A SG ALA 228.A O no hydrogen 3.391 N/A PHE 248.A N HIS 245.A O no hydrogen 2.948 N/A ARG 249.A N VAL 230.A O no hydrogen 2.767 N/A ARG 249.A NH1 PRO 246.A O no hydrogen 2.971 N/A ARG 249.A NH1 PHE 248.A O no hydrogen 2.987 N/A ARG 249.A NH1 THR 337.A O no hydrogen 3.109 N/A ARG 249.A NH2 THR 337.A O no hydrogen 2.849 N/A MET 252.A N.A VAL 232.A O no hydrogen 2.953 N/A MET 252.A N.B VAL 232.A O no hydrogen 2.945 N/A ALA 257.A N ASP 283.A O no hydrogen 2.929 N/A ALA 258.A N ASP 283.A OD2 no hydrogen 2.983 N/A ILE 259.A N GLY 255.A O no hydrogen 2.997 N/A SER 260.A N ILE 256.A O no hydrogen 3.091 N/A SER 260.A OG ILE 256.A O no hydrogen 3.502 N/A SER 260.A OG ALA 257.A O no hydrogen 3.229 N/A SER 260.A OG GLN 286.A O no hydrogen 2.707 N/A GLN 261.A N ALA 257.A O no hydrogen 2.980 N/A GLN 261.A NE2 GLN 261.A O no hydrogen 3.006 N/A GLN 261.A NE2 GLU 264.A OE1 no hydrogen 2.711 N/A LEU 262.A N ALA 258.A O no hydrogen 2.993 N/A LEU 263.A N ILE 259.A O no hydrogen 2.958 N/A GLU 264.A N GLN 261.A O no hydrogen 3.222 N/A HIS 266.A N LEU 263.A O no hydrogen 2.975 N/A HIS 266.A ND1 ASN 201.A O no hydrogen 2.836 N/A VAL 269.A N ARG 293.A O no hydrogen 2.877 N/A LEU 270.A N ALA 203.A O no hydrogen 2.908 N/A VAL 271.A N ILE 295.A O no hydrogen 2.828 N/A ILE 272.A N VAL 205.A O no hydrogen 2.836 N/A GLY 273.A N VAL 297.A O no hydrogen 2.843 N/A ARG 278.A NH2.B ALA 398.A O no hydrogen 3.046 N/A HIS 280.A N ALA 254.A O no hydrogen 2.839 N/A GLN 281.A N GLN 281.A OE1 no hydrogen 2.835 N/A LYS 289.A NZ GLN 286.A OE1 no hydrogen 2.913 N/A THR 292.A N LYS 289.A O no hydrogen 3.061 N/A THR 292.A OG1 LEU 263.A O no hydrogen 3.228 N/A THR 292.A OG1 HIS 266.A O no hydrogen 2.824 N/A ARG 293.A N ASP 267.A O no hydrogen 2.912 N/A ILE 295.A N VAL 269.A O no hydrogen 2.861 N/A SER 296.A N ASP 311.A O no hydrogen 2.851 N/A VAL 297.A N VAL 271.A O no hydrogen 2.789 N/A THR 298.A N ILE 313.A O no hydrogen 2.924 N/A THR 298.A OG1 ASP 300.A O no hydrogen 3.419 N/A THR 298.A OG1 GLU 303.A OE1 no hydrogen 2.654 N/A ASP 300.A N THR 298.A OG1 no hydrogen 2.960 N/A LEU 302.A N ASP 300.A OD1 no hydrogen 2.907 N/A GLU 303.A N ASP 300.A O no hydrogen 2.913 N/A ALA 304.A N ASP 300.A O no hydrogen 3.148 N/A ALA 305.A N PRO 301.A O no hydrogen 2.877 N/A ARG 306.A N LEU 302.A O no hydrogen 3.256 N/A ALA 307.A N GLU 303.A O no hydrogen 3.187 N/A ASP 311.A N LEU 294.A O no hydrogen 2.974 N/A ILE 313.A N SER 296.A O no hydrogen 2.797 N/A ALA 315.A N THR 298.A O no hydrogen 2.949 N/A ASP 316.A N VAL 182.A O no hydrogen 3.026 N/A ALA 319.A N ASP 316.A OD2 no hydrogen 2.818 N/A MET 320.A N ASP 316.A O no hydrogen 3.001 N/A ALA 321.A N ILE 317.A O no hydrogen 2.860 N/A SER 322.A N GLY 318.A O no hydrogen 3.073 N/A ALA 323.A N ALA 319.A O no hydrogen 3.060 N/A LEU 324.A N MET 320.A O no hydrogen 2.898 N/A ALA 325.A N ALA 321.A O no hydrogen 2.974 N/A ASN 326.A N SER 322.A O no hydrogen 3.126 N/A ASN 326.A ND2 SER 322.A O no hydrogen 2.837 N/A LEU 327.A N LEU 324.A O no hydrogen 3.188 N/A VAL 328.A N LEU 324.A O no hydrogen 3.125 N/A GLU 329.A N ASN 197.A OD1 no hydrogen 2.892 N/A SER 331.A N ARG 225.A O no hydrogen 2.785 N/A ARG 333.A N SER 331.A OG no hydrogen 3.044 N/A ARG 333.A NH2 LEU 226.A O no hydrogen 2.896 N/A LYS 344.A NZ VAL 345.A O no hydrogen 3.356 N/A GLN 347.A NE2 ASP 348.A O no hydrogen 2.987 N/A GLN 347.A NE2 ARG 351.A O no hydrogen 2.948 N/A GLY 350.A N ASP 348.A OD1 no hydrogen 2.841 N/A ARG 351.A NE THR 522.A O no hydrogen 2.922 N/A ARG 351.A NH2 THR 522.A O no hydrogen 2.980 N/A LEU 352.A N SER 521.A O no hydrogen 2.858 N/A HIS 353.A N GLN 347.A OE1 no hydrogen 2.940 N/A GLU 355.A N GLU 355.A OE1 no hydrogen 2.753 N/A THR 356.A OG1 GLN 347.A OE1 no hydrogen 2.711 N/A VAL 357.A N HIS 353.A O no hydrogen 3.251 N/A PHE 358.A N PRO 354.A O no hydrogen 2.962 N/A ASP 359.A N GLU 355.A O no hydrogen 2.950 N/A THR 360.A N THR 356.A O no hydrogen 2.970 N/A THR 360.A OG1 THR 356.A O no hydrogen 2.841 N/A LEU 361.A N VAL 357.A O no hydrogen 2.895 N/A ASN 362.A N PHE 358.A O no hydrogen 2.894 N/A ASP 363.A N ASP 359.A O no hydrogen 2.957 N/A MET 364.A N THR 360.A O no hydrogen 2.953 N/A MET 364.A N LEU 361.A O no hydrogen 3.196 N/A ALA 365.A N LEU 361.A O no hydrogen 2.801 N/A ALA 369.A N PRO 366.A O no hydrogen 3.037 N/A ILE 370.A N GLN 420.A O no hydrogen 2.931 N/A TYR 371.A N SER 393.A O no hydrogen 2.793 N/A LEU 372.A N ILE 422.A O no hydrogen 3.028 N/A ASN 373.A N TYR 395.A O no hydrogen 2.900 N/A ASN 373.A ND2 THR 379.A OG1 no hydrogen 2.948 N/A ASN 373.A ND2 TYR 394.A OH no hydrogen 2.932 N/A GLU 374.A N VAL 424.A O no hydrogen 2.809 N/A SER 375.A N ASN 373.A OD1 no hydrogen 2.898 N/A SER 375.A OG THR 378.A OG1 no hydrogen 2.714 N/A THR 378.A N SER 375.A O no hydrogen 3.077 N/A THR 378.A OG1 SER 375.A O no hydrogen 3.106 N/A THR 378.A OG1 SER 375.A OG no hydrogen 2.714 N/A MET 382.A N THR 378.A O no hydrogen 2.971 N/A TRP 383.A N THR 379.A O no hydrogen 3.011 N/A GLN 384.A N ALA 380.A O no hydrogen 3.180 N/A GLN 384.A N GLN 381.A O no hydrogen 3.170 N/A ARG 385.A N MET 382.A O no hydrogen 3.158 N/A ARG 385.A NE GLN 381.A OE1 no hydrogen 2.798 N/A ARG 385.A NH1 ALA 343.A O no hydrogen 2.902 N/A ARG 385.A NH1 ASP 359.A OD1 no hydrogen 2.900 N/A ARG 385.A NH2 ALA 343.A O no hydrogen 2.908 N/A ARG 385.A NH2 GLN 381.A OE1 no hydrogen 3.225 N/A LEU 386.A N MET 382.A O no hydrogen 3.243 N/A ASN 387.A N ASN 362.A OD1 no hydrogen 2.873 N/A MET 388.A N THR 243.A OG1 no hydrogen 2.947 N/A GLY 392.A N ASP 211.A OD1 no hydrogen 2.838 N/A SER 393.A OG ASN 390.A O no hydrogen 2.685 N/A SER 393.A OG PRO 391.A O no hydrogen 3.300 N/A TYR 395.A N TYR 371.A O no hydrogen 3.037 N/A PHE 396.A N PRO 237.A O no hydrogen 2.976 N/A ALA 399.A N ASN 83.A OD1 no hydrogen 2.923 N/A GLY 400.A N CYS 397.A O no hydrogen 2.866 N/A GLY 401.A N ASN 83.A OD1 no hydrogen 3.137 N/A GLY 403.A N GLU 374.A OE2 no hydrogen 2.781 N/A PHE 404.A N GLU 374.A OE1 no hydrogen 3.043 N/A ALA 405.A N GLU 374.A OE1 no hydrogen 2.910 N/A ALA 408.A N PHE 404.A O no hydrogen 2.837 N/A ALA 409.A N ALA 405.A O no hydrogen 2.860 N/A ILE 410.A N PRO 407.A O no hydrogen 3.000 N/A GLY 411.A N PRO 407.A O no hydrogen 3.189 N/A VAL 412.A N ALA 408.A O no hydrogen 2.806 N/A GLN 413.A N ALA 409.A O no hydrogen 3.030 N/A GLN 413.A NE2 GLN 413.A O no hydrogen 3.240 N/A GLN 413.A NE2 ARG 419.A O no hydrogen 2.851 N/A LEU 414.A N ILE 410.A O no hydrogen 2.964 N/A ALA 415.A N GLY 411.A O no hydrogen 2.950 N/A GLU 416.A N VAL 412.A O no hydrogen 2.890 N/A ARG 419.A N GLU 416.A O no hydrogen 3.063 N/A ARG 419.A NE ASN 368.A O no hydrogen 2.779 N/A ARG 419.A NH1 PRO 391.A O no hydrogen 2.854 N/A ARG 419.A NH2 ASN 368.A O no hydrogen 3.334 N/A ARG 419.A NH2 ALA 369.A O no hydrogen 3.294 N/A ARG 419.A NH2 PRO 391.A O no hydrogen 3.450 N/A ARG 419.A NH2 SER 393.A OG no hydrogen 2.930 N/A GLN 420.A NE2 VAL 421.A O no hydrogen 2.960 N/A GLN 420.A NE2 PRO 446.A O no hydrogen 2.945 N/A VAL 421.A N GLN 413.A OE1 no hydrogen 2.948 N/A ILE 422.A N ILE 370.A O no hydrogen 2.804 N/A ALA 423.A N ILE 448.A O no hydrogen 2.827 N/A VAL 424.A N LEU 372.A O no hydrogen 2.844 N/A ILE 425.A N VAL 450.A O no hydrogen 2.883 N/A GLY 426.A N GLU 374.A O no hydrogen 2.873 N/A ASP 427.A N MET 452.A O no hydrogen 2.991 N/A SER 429.A OG GLU 374.A O no hydrogen 3.309 N/A ALA 430.A N GLY 426.A O no hydrogen 2.926 N/A ASN 431.A N GLY 428.A O no hydrogen 3.343 N/A ASN 431.A ND2 GLY 428.A O no hydrogen 3.142 N/A TYR 432.A N SER 429.A O no hydrogen 3.283 N/A SER 433.A OG GLY 403.A O no hydrogen 2.803 N/A ILE 434.A N ASN 431.A O no hydrogen 3.375 N/A ALA 436.A N SER 433.A O no hydrogen 3.046 N/A LEU 437.A N ILE 434.A O no hydrogen 3.163 N/A TRP 438.A N SER 435.A O no hydrogen 3.050 N/A THR 439.A N ALA 436.A O no hydrogen 2.956 N/A THR 439.A OG1 LEU 42.A O no hydrogen 2.811 N/A ALA 441.A N LEU 437.A O no hydrogen 3.101 N/A GLN 442.A N TRP 438.A O no hydrogen 2.844 N/A TYR 443.A N THR 439.A O no hydrogen 3.089 N/A TYR 443.A OH TYR 40.A O no hydrogen 3.367 N/A ASN 444.A N ALA 441.A O no hydrogen 3.249 N/A ASN 444.A ND2 LYS 513.A O no hydrogen 3.039 N/A ILE 445.A N ALA 440.A O no hydrogen 2.910 N/A THR 447.A N ILE 445.A O no hydrogen 2.896 N/A THR 447.A OG1 ALA 409.A O no hydrogen 3.190 N/A ILE 448.A N VAL 421.A O no hydrogen 3.022 N/A PHE 449.A N VAL 516.A O no hydrogen 2.818 N/A VAL 450.A N ALA 423.A O no hydrogen 2.744 N/A ILE 451.A N ILE 518.A O no hydrogen 2.818 N/A MET 452.A N ILE 425.A O no hydrogen 2.836 N/A ASN 453.A N VAL 520.A O no hydrogen 2.784 N/A ASN 453.A ND2 GLU 519.A OE2 no hydrogen 2.904 N/A ASN 454.A N ASP 427.A OD1 no hydrogen 3.362 N/A GLY 455.A N ASN 453.A OD1 no hydrogen 3.157 N/A THR 456.A N ASN 454.A OD1 no hydrogen 3.297 N/A THR 456.A OG1 LEU 475.A O no hydrogen 2.875 N/A THR 456.A OG1 ASP 476.A OD1 no hydrogen 2.843 N/A TYR 457.A N LEU 475.A O no hydrogen 2.836 N/A ARG 461.A N.A TYR 457.A O no hydrogen 3.204 N/A ARG 461.A N.A GLY 458.A O no hydrogen 2.961 N/A ARG 461.A N.B TYR 457.A O no hydrogen 3.000 N/A ARG 461.A NE.A THR 456.A OG1 no hydrogen 2.901 N/A ARG 461.A NE.B THR 456.A OG1 no hydrogen 3.102 N/A ARG 461.A NH2.A ASP 476.A OD1 no hydrogen 2.710 N/A ARG 461.A NH2.B ASP 476.A OD1 no hydrogen 2.714 N/A TRP 462.A N.A GLY 458.A O no hydrogen 2.999 N/A TRP 462.A N.B GLY 458.A O no hydrogen 2.932 N/A PHE 463.A N.A ALA 459.A O no hydrogen 2.818 N/A PHE 463.A N.B ALA 459.A O no hydrogen 3.328 N/A ALA 464.A N.A LEU 460.A O no hydrogen 3.048 N/A ALA 464.A N.B LEU 460.A O no hydrogen 2.916 N/A GLY 465.A N.A ARG 461.A O.A no hydrogen 2.999 N/A GLY 465.A N.B ARG 461.A O.A no hydrogen 2.919 N/A GLY 465.A N.B ARG 461.A O.B no hydrogen 3.047 N/A VAL 466.A N.A TRP 462.A O.A no hydrogen 3.019 N/A VAL 466.A N.B TRP 462.A O.B no hydrogen 3.062 N/A LEU 467.A N.A PHE 463.A O.A no hydrogen 2.920 N/A LEU 467.A N.A PHE 463.A O.B no hydrogen 3.024 N/A LEU 467.A N.B PHE 463.A O.B no hydrogen 3.002 N/A LEU 467.A N.B ALA 464.A O.A no hydrogen 2.076 N/A GLU 468.A N.A GLY 465.A O.A no hydrogen 2.952 N/A GLU 468.A N.B GLY 465.A O.A no hydrogen 3.451 N/A GLU 468.A N.B GLY 465.A O.B no hydrogen 3.188 N/A ALA 469.A N.A ALA 464.A O.A no hydrogen 2.857 N/A ALA 469.A N.B ALA 464.A O.B no hydrogen 2.778 N/A VAL 477.A N GLY 455.A O no hydrogen 2.915 N/A PHE 482.A N GLU 519.A OE1 no hydrogen 3.030 N/A ALA 484.A N ASP 481.A OD1 no hydrogen 3.036 N/A LEU 485.A N ASP 481.A O no hydrogen 3.125 N/A ALA 486.A N PHE 482.A O no hydrogen 2.959 N/A LYS 487.A N ARG 483.A O no hydrogen 2.940 N/A GLY 488.A N ALA 484.A O no hydrogen 2.815 N/A TYR 489.A N LEU 485.A O no hydrogen 3.186 N/A TYR 489.A N ALA 486.A O no hydrogen 3.076 N/A GLY 490.A N LYS 487.A O no hydrogen 3.102 N/A VAL 491.A N ALA 486.A O no hydrogen 2.897 N/A GLN 492.A NE2 GLU 508.A OE2.A no hydrogen 3.109 N/A LEU 494.A N LEU 517.A O no hydrogen 2.814 N/A ALA 496.A N GLU 519.A O no hydrogen 2.812 N/A ASP 497.A N GLN 501.A OE1 no hydrogen 2.801 N/A GLN 501.A N ASN 498.A OD1 no hydrogen 2.868 N/A LEU 502.A N ASN 498.A O no hydrogen 2.867 N/A LYS 503.A N LEU 499.A O no hydrogen 2.949 N/A GLY 504.A N GLU 500.A O no hydrogen 3.097 N/A SER 505.A N.A GLN 501.A O no hydrogen 2.801 N/A SER 505.A N.B GLN 501.A O no hydrogen 2.819 N/A SER 505.A OG.A GLN 501.A O no hydrogen 2.876 N/A SER 505.A OG.B GLN 501.A O no hydrogen 2.972 N/A SER 505.A OG.B LEU 502.A O no hydrogen 2.947 N/A LEU 506.A N LEU 502.A O no hydrogen 2.890 N/A GLN 507.A N LYS 503.A O no hydrogen 2.940 N/A GLU 508.A N.A GLY 504.A O no hydrogen 3.057 N/A GLU 508.A N.B GLY 504.A O no hydrogen 3.099 N/A ALA 509.A N SER 505.A O.A no hydrogen 2.842 N/A ALA 509.A N SER 505.A O.B no hydrogen 2.825 N/A LEU 510.A N LEU 506.A O no hydrogen 2.834 N/A SER 511.A N.A GLN 507.A O no hydrogen 3.245 N/A SER 511.A N.A GLU 508.A O.B no hydrogen 2.863 N/A SER 511.A N.B GLN 507.A O no hydrogen 3.296 N/A SER 511.A N.B GLU 508.A O.B no hydrogen 2.888 N/A SER 511.A OG.A GLN 507.A O no hydrogen 3.017 N/A SER 511.A OG.B GLN 507.A O no hydrogen 3.126 N/A SER 511.A OG.B GLU 508.A O.A no hydrogen 3.376 N/A SER 511.A OG.B GLU 508.A O.B no hydrogen 3.084 N/A ALA 512.A N ALA 509.A O no hydrogen 3.168 N/A VAL 516.A N THR 447.A O no hydrogen 3.151 N/A LEU 517.A N GLN 492.A O no hydrogen 2.873 N/A ILE 518.A N PHE 449.A O no hydrogen 2.788 N/A GLU 519.A N LEU 494.A O no hydrogen 2.868 N/A VAL 520.A N ILE 451.A O no hydrogen 2.795 N/A SER 521.A N ALA 496.A O no hydrogen 2.899 N/A SER 521.A OG ASP 497.A OD1 no hydrogen 2.700 N/A THR 522.A N ASN 453.A O no hydrogen 2.996 N/A VAL 523.A N LEU 352.A O no hydrogen 2.899 N/A SER 524.A OG PRO 525.A O no hydrogen 3.431 N/A