Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N LEU 2.A O no hydrogen 2.955 N/A GLU 6.A N ALA 3.A O no hydrogen 3.057 N/A SER 10.A N ASP 8.A OD1 no hydrogen 3.001 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.534 N/A THR 15.A OG1 SER 16.A O no hydrogen 2.940 N/A SER 16.A N GLY 20.A O no hydrogen 2.820 N/A VAL 18.A N SER 16.A OG no hydrogen 3.164 N/A GLY 19.A N SER 16.A O no hydrogen 2.975 N/A ILE 22.A N LEU 14.A O no hydrogen 2.891 N/A GLN 23.A NE2 THR 26.A O no hydrogen 2.962 N/A GLN 25.A N GLN 23.A OE1 no hydrogen 2.922 N/A GLN 25.A NE2 ASP 24.A OD1 no hydrogen 2.916 N/A THR 26.A N GLN 23.A OE1 no hydrogen 2.995 N/A LEU 28.A N ASP 40.A OD2 no hydrogen 2.854 N/A ALA 30.A N PRO 35.A O no hydrogen 3.083 N/A GLY 34.A N GLY 31.A O no hydrogen 3.022 N/A LEU 37.A N LEU 28.A O no hydrogen 2.938 N/A ASP 40.A N LEU 37.A O no hydrogen 3.100 N/A PHE 43.A N ASP 40.A OD1 no hydrogen 3.048 N/A ARG 44.A N ASP 40.A O no hydrogen 3.258 N/A ARG 44.A NE LEU 38.A O no hydrogen 2.947 N/A ARG 44.A NH2 LEU 38.A O no hydrogen 2.983 N/A GLN 45.A N PHE 41.A O no hydrogen 2.934 N/A GLN 45.A NE2 MET 42.A O no hydrogen 3.151 N/A LYS 46.A N MET 42.A O no hydrogen 3.355 N/A LYS 46.A NZ ASP 24.A O no hydrogen 2.939 N/A ILE 47.A N PHE 43.A O no hydrogen 2.963 N/A GLN 48.A N ARG 44.A O no hydrogen 2.792 N/A HIS 49.A N GLN 45.A O no hydrogen 3.185 N/A PHE 50.A N LYS 46.A O no hydrogen 3.139 N/A ASP 51.A N ILE 47.A O no hydrogen 2.740 N/A HIS 52.A N GLN 48.A O no hydrogen 3.175 N/A HIS 52.A N HIS 49.A O no hydrogen 3.105 N/A GLU 53.A N PHE 50.A O no hydrogen 3.119 N/A ARG 54.A NH1 GLU 53.A OE1 no hydrogen 3.051 N/A ARG 58.A NH1 GLU 320.A O no hydrogen 3.043 N/A ARG 58.A NH2 THR 319.A O no hydrogen 2.941 N/A ARG 58.A NH2 GLU 320.A O no hydrogen 3.193 N/A HIS 61.A N PHE 102.A O no hydrogen 2.914 N/A ARG 63.A NE ASP 110.A OD1 no hydrogen 2.932 N/A ARG 63.A NH1 ARG 106.A O.B no hydrogen 3.267 N/A ARG 63.A NH2 ASP 110.A OD1 no hydrogen 3.324 N/A ARG 63.A NH2 ALA 248.A O no hydrogen 2.974 N/A ARG 63.A NH2 ASP 249.A OD1 no hydrogen 2.842 N/A ALA 65.A N PHE 99.A O no hydrogen 2.858 N/A ALA 67.A N VAL 97.A O no hydrogen 2.953 N/A HIS 68.A N ARG 310.A O no hydrogen 2.774 N/A HIS 68.A NE2 GLU 318.A OE1 no hydrogen 2.696 N/A GLY 69.A N VAL 95.A O no hydrogen 3.009 N/A THR 70.A N LYS 307.A O no hydrogen 2.899 N/A PHE 71.A N THR 93.A O no hydrogen 2.772 N/A THR 72.A N LEU 305.A O no hydrogen 2.827 N/A SER 73.A N LYS 91.A O no hydrogen 2.930 N/A SER 73.A OG ALA 75.A O no hydrogen 2.787 N/A TYR 74.A N LEU 303.A O no hydrogen 2.777 N/A TYR 74.A OH ASP 268.A OD1 no hydrogen 2.658 N/A TRP 77.A N LEU 86.A O no hydrogen 2.871 N/A TRP 77.A NE1 LEU 303.A O no hydrogen 3.097 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.919 N/A SER 78.A OG.A ASP 76.A OD1 no hydrogen 2.563 N/A SER 78.A OG.B ASP 76.A OD1 no hydrogen 2.916 N/A ILE 80.A N TRP 77.A O no hydrogen 2.876 N/A THR 81.A N TRP 77.A O no hydrogen 2.891 N/A THR 81.A OG1 GLY 332.A O no hydrogen 2.863 N/A ALA 82.A N VAL 213.A O no hydrogen 2.867 N/A ALA 83.A N THR 81.A OG1 no hydrogen 3.016 N/A SER 84.A OG ASP 125.A OD1 no hydrogen 2.523 N/A SER 84.A OG ASP 125.A OD2 no hydrogen 3.236 N/A LEU 86.A N ALA 83.A O no hydrogen 3.055 N/A ASN 87.A N SER 84.A O no hydrogen 3.128 N/A GLY 90.A N SER 73.A O no hydrogen 2.798 N/A LYS 91.A N ALA 88.A O no hydrogen 3.243 N/A LYS 91.A NZ SER 84.A O no hydrogen 3.015 N/A LYS 91.A NZ SER 84.A OG no hydrogen 3.038 N/A LYS 91.A NZ ASP 125.A OD2 no hydrogen 2.573 N/A GLN 92.A NE2 THR 72.A OG1 no hydrogen 3.203 N/A THR 93.A N PHE 71.A O no hydrogen 2.899 N/A VAL 95.A N GLY 69.A O no hydrogen 2.989 N/A PHE 96.A N ARG 121.A O no hydrogen 3.097 N/A VAL 97.A N ALA 67.A O no hydrogen 2.954 N/A ARG 98.A N ALA 119.A O no hydrogen 2.962 N/A ARG 98.A NH1 HIS 61.A O no hydrogen 2.984 N/A ARG 98.A NH2 HIS 61.A O no hydrogen 3.021 N/A PHE 99.A N ALA 65.A O no hydrogen 2.817 N/A SER 100.A N GLY 117.A O no hydrogen 3.170 N/A SER 100.A OG THR 101.A O no hydrogen 3.035 N/A THR 101.A N ARG 63.A O no hydrogen 2.958 N/A PHE 102.A N ASP 114.A OD2 no hydrogen 2.927 N/A ALA 103.A N ASP 114.A OD2 no hydrogen 2.704 N/A SER 105.A N GLN 164.A OE1 no hydrogen 2.858 N/A SER 105.A OG GLU 57.A OE2 no hydrogen 2.761 N/A ARG 106.A N.A GLU 57.A OE1 no hydrogen 2.906 N/A ARG 106.A N.B GLU 57.A OE1 no hydrogen 2.962 N/A ARG 106.A NH2.B GLU 320.A OE1 no hydrogen 2.932 N/A SER 108.A N SER 105.A O no hydrogen 3.132 N/A SER 108.A OG SER 105.A O no hydrogen 2.783 N/A ASP 110.A N ALA 248.A O no hydrogen 3.001 N/A THR 111.A OG1 ALA 240.A O no hydrogen 3.319 N/A THR 111.A OG1 SER 244.A OG no hydrogen 2.772 N/A ALA 112.A N ALA 109.A O no hydrogen 3.469 N/A ARG 113.A NH1 ALA 189.A O no hydrogen 3.013 N/A ARG 113.A NH1 SER 191.A O no hydrogen 3.017 N/A ASP 114.A N GLY 194.A O no hydrogen 3.090 N/A HIS 116.A N ASN 135.A OD1 no hydrogen 2.962 N/A GLY 117.A N SER 100.A O no hydrogen 2.807 N/A PHE 118.A N GLY 133.A O no hydrogen 2.791 N/A ALA 119.A N ARG 98.A O no hydrogen 2.905 N/A THR 120.A N ILE 131.A O no hydrogen 2.839 N/A ARG 121.A N PHE 96.A O no hydrogen 2.832 N/A ARG 121.A NE ASP 130.A OD1 no hydrogen 2.859 N/A ARG 121.A NH1 ILE 366.A O no hydrogen 3.224 N/A ARG 121.A NH1 ASN 367.A OD1 no hydrogen 2.954 N/A ARG 121.A NH2 ASP 130.A OD2 no hydrogen 2.995 N/A ARG 121.A NH2 MET 323.A O no hydrogen 2.737 N/A PHE 122.A N PHE 129.A O no hydrogen 2.696 N/A TYR 123.A N PRO 94.A O no hydrogen 3.048 N/A TYR 123.A OH ILE 366.A O no hydrogen 2.774 N/A THR 124.A N PHE 122.A O no hydrogen 2.942 N/A THR 124.A OG1 GLY 127.A O no hydrogen 2.524 N/A GLU 126.A N THR 124.A OG1 no hydrogen 3.011 N/A GLY 127.A N THR 124.A O no hydrogen 3.197 N/A PHE 129.A N PHE 122.A O no hydrogen 2.857 N/A ASP 130.A N HIS 328.A O no hydrogen 3.164 N/A ILE 131.A N THR 120.A O no hydrogen 2.792 N/A GLY 133.A N PHE 118.A O no hydrogen 3.001 N/A ASN 134.A N PHE 205.A O no hydrogen 3.060 N/A ASN 135.A N HIS 116.A O no hydrogen 2.863 N/A ASN 135.A ND2 HIS 193.A O no hydrogen 3.006 N/A PHE 139.A N PRO 289.A O no hydrogen 2.974 N/A GLN 142.A NE2 ASP 288.A OD1 no hydrogen 3.042 N/A GLN 142.A NE2 PHE 434.A O no hydrogen 3.016 N/A ALA 144.A N PRO 339.A O no hydrogen 3.061 N/A ILE 145.A N ASP 143.A OD1 no hydrogen 2.943 N/A GLN 146.A N ASP 143.A O no hydrogen 3.003 N/A PHE 147.A N ALA 144.A O no hydrogen 3.013 N/A LEU 150.A N GLN 146.A O no hydrogen 3.060 N/A ILE 151.A N PHE 147.A O no hydrogen 2.924 N/A HIS 152.A N PRO 148.A O no hydrogen 2.927 N/A SER 153.A N ASP 149.A O no hydrogen 3.047 N/A SER 153.A OG LEU 150.A O no hydrogen 2.795 N/A VAL 154.A N LEU 150.A O no hydrogen 3.057 N/A VAL 154.A N ILE 151.A O no hydrogen 3.162 N/A LYS 155.A N ILE 151.A O no hydrogen 2.869 N/A LYS 155.A NZ ALA 103.A O no hydrogen 2.819 N/A ARG 157.A N ILE 162.A O no hydrogen 2.932 N/A ARG 157.A NE ASP 159.A OD1 no hydrogen 2.777 N/A ARG 157.A NE ASP 159.A OD2 no hydrogen 3.375 N/A ARG 157.A NH2 ASP 159.A OD2 no hydrogen 3.032 N/A GLU 161.A N ARG 157.A O no hydrogen 2.749 N/A ILE 162.A N ASN 160.A OD1 no hydrogen 3.187 N/A THR 167.A OG1 GLU 463.A OE1 no hydrogen 2.742 N/A THR 167.A OG1 GLU 463.A OE2 no hydrogen 3.191 N/A HIS 169.A N THR 167.A O no hydrogen 2.821 N/A HIS 169.A NE2 VAL 154.A O no hydrogen 2.964 N/A SER 171.A OG SER 153.A O no hydrogen 2.651 N/A SER 171.A OG HIS 169.A ND1 no hydrogen 3.071 N/A TRP 173.A N HIS 169.A O no hydrogen 3.481 N/A TRP 173.A NE1 GLU 463.A OE1 no hydrogen 3.070 N/A ASP 174.A N ASP 170.A O no hydrogen 2.771 N/A PHE 175.A N SER 171.A O no hydrogen 3.049 N/A PHE 176.A N ALA 172.A O no hydrogen 2.910 N/A SER 177.A N TRP 173.A O no hydrogen 3.059 N/A SER 177.A OG TRP 173.A O no hydrogen 2.754 N/A SER 177.A OG ASP 174.A O no hydrogen 3.030 N/A GLN 178.A N ASP 174.A O no hydrogen 2.995 N/A GLN 178.A N PHE 175.A O no hydrogen 3.121 N/A GLN 179.A N PHE 175.A O no hydrogen 2.754 N/A SER 181.A OG PHE 140.A O no hydrogen 2.840 N/A THR 182.A N GLN 179.A O no hydrogen 3.033 N/A THR 182.A OG1 PHE 176.A O no hydrogen 3.092 N/A THR 182.A OG1 GLN 179.A O no hydrogen 2.789 N/A MET 183.A N PRO 180.A O no hydrogen 2.940 N/A HIS 184.A ND1 THR 290.A O no hydrogen 2.967 N/A THR 185.A OG1 VAL 138.A O no hydrogen 2.817 N/A LEU 186.A N THR 182.A O no hydrogen 2.915 N/A PHE 187.A N MET 183.A O no hydrogen 2.931 N/A TRP 188.A N HIS 184.A O no hydrogen 3.226 N/A TRP 188.A NE1 HIS 184.A NE2 no hydrogen 3.129 N/A ALA 189.A N THR 185.A O no hydrogen 2.841 N/A MET 190.A N LEU 186.A O no hydrogen 2.848 N/A SER 191.A N TRP 188.A O no hydrogen 3.085 N/A SER 191.A OG TRP 188.A O no hydrogen 2.632 N/A HIS 193.A N SER 191.A OG no hydrogen 3.156 N/A HIS 193.A NE2 VAL 515.A O no hydrogen 2.764 N/A GLY 194.A N SER 191.A O no hydrogen 3.059 N/A ILE 195.A N GLY 192.A O no hydrogen 2.975 N/A ARG 197.A N ALA 233.A O no hydrogen 2.888 N/A ARG 197.A NE ASP 584.A OD1 no hydrogen 2.800 N/A ARG 197.A NH1 ARG 197.A O no hydrogen 2.970 N/A ARG 197.A NH1 ASP 254.A OD2 no hydrogen 3.106 N/A ARG 197.A NH2 ASP 584.A OD1 no hydrogen 3.439 N/A ARG 197.A NH2 ASP 584.A OD2 no hydrogen 2.807 N/A SER 198.A OG HIS 201.A ND1 no hydrogen 2.806 N/A ARG 200.A NE ASP 254.A OD1 no hydrogen 2.787 N/A ARG 200.A NH1 THR 528.A OG1 no hydrogen 3.089 N/A ARG 200.A NH2 ASP 254.A OD2 no hydrogen 2.907 N/A ARG 200.A NH2 THR 528.A OG1 no hydrogen 2.922 N/A HIS 201.A N SER 198.A O no hydrogen 3.262 N/A HIS 201.A N SER 198.A OG no hydrogen 3.074 N/A HIS 201.A ND1 SER 198.A OG no hydrogen 2.806 N/A GLY 204.A N PHE 226.A O no hydrogen 2.948 N/A PHE 205.A N ASN 134.A O no hydrogen 2.748 N/A GLY 206.A N TRP 224.A O no hydrogen 3.256 N/A HIS 208.A N GLY 206.A O no hydrogen 2.728 N/A HIS 208.A ND1 ASP 338.A OD2 no hydrogen 2.744 N/A THR 209.A OG1 LEU 286.A O no hydrogen 2.595 N/A PHE 210.A N ILE 222.A O no hydrogen 2.957 N/A ARG 211.A N ASP 334.A O no hydrogen 2.848 N/A ARG 211.A NE GLU 276.A OE2 no hydrogen 2.694 N/A ARG 211.A NH1 PHE 335.A O no hydrogen 3.125 N/A ARG 211.A NH1 GLU 337.A OE1 no hydrogen 3.130 N/A ARG 211.A NH2 GLU 276.A OE1 no hydrogen 3.043 N/A PHE 212.A N LYS 220.A O no hydrogen 2.884 N/A VAL 213.A N GLY 332.A O no hydrogen 2.746 N/A LYS 214.A N SER 218.A O no hydrogen 3.035 N/A LYS 214.A NZ ASN 79.A O no hydrogen 3.315 N/A GLY 217.A N LYS 214.A O no hydrogen 2.937 N/A SER 218.A N ASP 216.A OD1 no hydrogen 3.053 N/A SER 218.A OG ASP 216.A OD1 no hydrogen 2.865 N/A SER 219.A OG GLU 276.A OE2 no hydrogen 2.586 N/A LYS 220.A N PHE 212.A O no hydrogen 2.993 N/A LYS 220.A NZ ASP 275.A OD1 no hydrogen 2.940 N/A LEU 221.A N VAL 274.A O no hydrogen 2.886 N/A ILE 222.A N PHE 210.A O no hydrogen 2.797 N/A LYS 223.A N GLN 272.A O no hydrogen 3.083 N/A LYS 223.A NZ VAL 207.A O no hydrogen 2.934 N/A LYS 223.A NZ THR 209.A OG1 no hydrogen 2.955 N/A HIS 225.A N CYS 270.A O no hydrogen 2.792 N/A HIS 225.A NE2 GLN 272.A OE1 no hydrogen 2.905 N/A PHE 226.A N GLY 204.A O no hydrogen 2.696 N/A LYS 227.A N ASP 268.A O no hydrogen 2.833 N/A LYS 227.A NZ ASP 203.A OD2 no hydrogen 2.571 N/A SER 228.A N ASP 203.A OD1 no hydrogen 2.854 N/A SER 228.A OG ARG 200.A O no hydrogen 2.824 N/A SER 228.A OG GLY 231.A O no hydrogen 3.309 N/A ARG 229.A N GLU 266.A O no hydrogen 3.005 N/A GLN 230.A N SER 228.A OG no hydrogen 3.047 N/A GLN 230.A NE2 ARG 200.A O no hydrogen 3.042 N/A GLN 230.A NE2 GLU 266.A O no hydrogen 3.065 N/A ALA 233.A N HIS 201.A O no hydrogen 3.358 N/A SER 234.A OG.A LEU 235.A O no hydrogen 3.335 N/A SER 234.A OG.B GLY 192.A O no hydrogen 2.439 N/A LEU 235.A N ILE 195.A O no hydrogen 2.812 N/A VAL 236.A N GLU 239.A OE1 no hydrogen 3.073 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.694 N/A GLU 239.A N VAL 236.A O no hydrogen 3.072 N/A ALA 240.A N VAL 236.A O no hydrogen 2.925 N/A GLN 241.A N TRP 237.A O no hydrogen 3.032 N/A LEU 243.A N GLU 239.A O no hydrogen 2.927 N/A SER 244.A N ALA 240.A O no hydrogen 2.945 N/A SER 244.A OG THR 111.A OG1 no hydrogen 2.772 N/A SER 244.A OG ALA 240.A O no hydrogen 3.042 N/A GLY 245.A N VAL 242.A O no hydrogen 2.968 N/A LYS 246.A N VAL 242.A O no hydrogen 2.898 N/A ASN 247.A N LEU 243.A O no hydrogen 2.787 N/A ASP 249.A N ASN 247.A OD1 no hydrogen 2.901 N/A PHE 250.A N ASN 247.A O no hydrogen 3.131 N/A HIS 251.A NE2 PRO 196.A O no hydrogen 3.024 N/A ARG 252.A N ASP 110.A OD2 no hydrogen 3.025 N/A GLN 253.A N ASP 249.A O no hydrogen 2.809 N/A GLN 253.A NE2 ASP 257.A OD1 no hydrogen 2.948 N/A ASP 254.A N PHE 250.A O no hydrogen 2.914 N/A LEU 255.A N HIS 251.A O no hydrogen 3.036 N/A TRP 256.A N ARG 252.A O no hydrogen 3.013 N/A ASP 257.A N GLN 253.A O no hydrogen 2.917 N/A ALA 258.A N ASP 254.A O no hydrogen 3.051 N/A ILE 259.A N LEU 255.A O no hydrogen 3.104 N/A GLU 260.A N TRP 256.A O no hydrogen 2.985 N/A SER 261.A N ASP 257.A O no hydrogen 3.060 N/A SER 261.A OG ASP 257.A O no hydrogen 3.175 N/A SER 261.A OG ALA 258.A O no hydrogen 3.195 N/A SER 261.A OG ASN 263.A OD1 no hydrogen 3.027 N/A GLY 262.A N ILE 259.A O no hydrogen 3.157 N/A ASN 263.A N ALA 258.A O no hydrogen 2.855 N/A GLU 266.A N GLN 230.A OE1 no hydrogen 2.812 N/A TRP 267.A N LEU 306.A O no hydrogen 2.835 N/A TRP 267.A NE1 MET 202.A O no hydrogen 2.845 N/A ASP 268.A N LYS 227.A O no hydrogen 2.914 N/A VAL 269.A N GLY 304.A O no hydrogen 2.859 N/A CYS 270.A N HIS 225.A O no hydrogen 2.669 N/A CYS 270.A SG ASP 268.A O no hydrogen 3.532 N/A VAL 271.A N THR 301.A O no hydrogen 3.071 N/A GLN 272.A N LYS 223.A O no hydrogen 3.055 N/A GLN 272.A NE2 ILE 293.A O no hydrogen 2.976 N/A GLN 272.A NE2 ALA 298.A O no hydrogen 2.727 N/A VAL 274.A N LEU 221.A O no hydrogen 2.869 N/A ASP 275.A N GLN 278.A OE1 no hydrogen 3.007 N/A GLN 278.A N ASP 275.A O no hydrogen 2.925 N/A ALA 279.A N GLU 276.A O no hydrogen 3.313 N/A ALA 281.A N GLN 278.A O no hydrogen 3.116 N/A LEU 286.A N ALA 279.A O no hydrogen 2.950 N/A LEU 287.A N ASP 285.A OD1 no hydrogen 3.028 N/A ASP 288.A N ASP 285.A O no hydrogen 2.842 N/A THR 290.A N ASP 288.A OD1 no hydrogen 2.999 N/A THR 290.A OG1 ASP 288.A OD1 no hydrogen 2.818 N/A THR 290.A OG1 ASP 288.A OD2 no hydrogen 3.440 N/A LYS 291.A N ASP 288.A O no hydrogen 3.341 N/A LYS 291.A NZ ASP 288.A OD2 no hydrogen 3.030 N/A LYS 291.A NZ THR 290.A OG1 no hydrogen 3.244 N/A LYS 291.A NZ ASP 436.A O no hydrogen 2.700 N/A TYR 297.A N PRO 294.A O no hydrogen 2.933 N/A THR 301.A N VAL 271.A O no hydrogen 2.781 N/A LEU 303.A N VAL 269.A O no hydrogen 2.803 N/A LEU 305.A N THR 72.A O no hydrogen 2.821 N/A LEU 306.A N TRP 267.A O no hydrogen 2.829 N/A LYS 307.A N THR 70.A O no hydrogen 2.961 N/A LYS 307.A NZ GLY 264.A O no hydrogen 2.918 N/A LYS 307.A NZ GLU 266.A OE2 no hydrogen 2.935 N/A LEU 308.A N PRO 265.A O no hydrogen 3.084 N/A ASP 309.A N HIS 68.A O no hydrogen 3.094 N/A ARG 310.A N HIS 68.A O no hydrogen 3.161 N/A ASN 311.A ND2 TRP 256.A O no hydrogen 3.109 N/A ASN 311.A ND2 GLU 260.A OE2.A no hydrogen 2.832 N/A THR 313.A N GLU 318.A OE2 no hydrogen 2.694 N/A ASN 314.A N GLU 318.A OE2 no hydrogen 2.828 N/A TYR 315.A OH GLY 64.A O no hydrogen 2.677 N/A ALA 317.A N ASN 314.A OD1 no hydrogen 2.969 N/A GLU 318.A N ASN 314.A O no hydrogen 3.106 N/A GLU 320.A N TYR 315.A O no hydrogen 2.973 N/A GLN 321.A N PHE 316.A O no hydrogen 3.126 N/A GLN 321.A NE2 ALA 317.A O no hydrogen 3.175 N/A MET 323.A N ASN 367.A OD1 no hydrogen 2.966 N/A GLN 325.A N ASP 130.A OD2 no hydrogen 2.975 N/A HIS 328.A N GLN 325.A O no hydrogen 3.045 N/A HIS 328.A ND1 ASP 130.A OD2 no hydrogen 2.627 N/A HIS 328.A NE2 GLU 362.A OE2 no hydrogen 2.644 N/A ARG 331.A NE ASP 215.A OD1 no hydrogen 2.892 N/A ARG 331.A NH1 ASN 407.A O no hydrogen 3.114 N/A ARG 331.A NH1 GLN 408.A O no hydrogen 3.213 N/A ARG 331.A NH1 GLY 413.A O no hydrogen 2.787 N/A ARG 331.A NH2 ASP 215.A OD1 no hydrogen 2.839 N/A ARG 331.A NH2 GLN 408.A O no hydrogen 2.740 N/A ILE 333.A N VAL 330.A O no hydrogen 3.159 N/A ASP 334.A N ARG 211.A O no hydrogen 2.902 N/A PHE 335.A N ASP 334.A OD1 no hydrogen 2.684 N/A THR 336.A OG1 THR 209.A O no hydrogen 2.680 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.672 N/A LEU 340.A N ASP 338.A OD1 no hydrogen 2.837 N/A LEU 341.A N ASP 338.A OD1 no hydrogen 3.144 N/A GLN 342.A N ASP 338.A O no hydrogen 2.806 N/A GLN 342.A NE2 THR 336.A O no hydrogen 2.920 N/A GLY 343.A N LEU 340.A O no hydrogen 3.319 N/A ARG 344.A N LEU 340.A O no hydrogen 3.299 N/A ARG 344.A NE TYR 348.A OH no hydrogen 2.982 N/A ARG 344.A NH1 HIS 208.A NE2 no hydrogen 2.930 N/A ARG 344.A NH2 VAL 132.A O no hydrogen 3.016 N/A ARG 344.A NH2 TYR 348.A OH no hydrogen 2.773 N/A SER 347.A N GLY 343.A O no hydrogen 3.204 N/A TYR 348.A N ARG 344.A O no hydrogen 3.141 N/A ASP 350.A N PHE 346.A O no hydrogen 3.251 N/A THR 351.A N SER 347.A O no hydrogen 2.892 N/A LEU 353.A N ASP 350.A O no hydrogen 3.132 N/A ARG 355.A N THR 351.A O no hydrogen 3.144 N/A ARG 355.A NH1 VAL 322.A O no hydrogen 3.516 N/A ARG 355.A NH2 GLU 320.A O no hydrogen 2.854 N/A ARG 355.A NH2 VAL 322.A O no hydrogen 2.789 N/A ASN 356.A N GLN 352.A O no hydrogen 2.751 N/A ASN 356.A ND2 GLY 358.A O no hydrogen 3.280 N/A GLY 357.A N LEU 353.A O no hydrogen 2.953 N/A ASN 360.A ND2 ASP 379.A O no hydrogen 3.073 N/A ASN 360.A ND2 ALA 381.A O no hydrogen 2.955 N/A GLN 363.A N ASN 360.A O no hydrogen 3.029 N/A GLN 363.A NE2 GLN 383.A OE1 no hydrogen 2.941 N/A LEU 364.A N PHE 361.A O no hydrogen 3.274 N/A ASN 367.A N LEU 364.A O no hydrogen 2.885 N/A ASN 367.A ND2 GLN 321.A O no hydrogen 3.350 N/A ASN 367.A ND2 PHE 361.A O no hydrogen 2.969 N/A MET 368.A N PRO 365.A O no hydrogen 3.202 N/A ARG 370.A NH1 PRO 1.A O no hydrogen 3.225 N/A ASN 377.A N ASN 375.A OD1 no hydrogen 2.952 N/A ARG 378.A NH1 ASN 375.A O no hydrogen 3.037 N/A ARG 378.A NH1 ASN 377.A O no hydrogen 3.035 N/A ARG 378.A NH2 ASN 389.A O no hydrogen 3.079 N/A GLN 383.A NE2 ASP 379.A O no hydrogen 2.895 N/A MET 384.A N GLN 363.A OE1 no hydrogen 2.940 N/A PHE 385.A N GLN 383.A OE1 no hydrogen 2.836 N/A TYR 391.A N ASN 389.A OD1 no hydrogen 2.961 N/A TYR 393.A N TYR 391.A O no hydrogen 2.781 N/A ASN 396.A ND2 TYR 393.A O no hydrogen 2.861 N/A ASN 396.A ND2 TYR 402.A O no hydrogen 3.195 N/A ASN 399.A N ASN 396.A OD1 no hydrogen 2.801 N/A ASN 399.A ND2 TYR 402.A O no hydrogen 3.021 N/A SER 400.A N THR 397.A O no hydrogen 2.769 N/A GLY 401.A N ASN 396.A OD1 no hydrogen 3.047 N/A TYR 402.A N ASN 399.A O no hydrogen 3.153 N/A ASN 407.A N ALA 410.A O no hydrogen 2.766 N/A GLN 408.A NE2 ASP 215.A O no hydrogen 3.629 N/A ASN 409.A N ASN 407.A OD1 no hydrogen 3.035 N/A ALA 410.A N ASN 407.A O no hydrogen 3.253 N/A ARG 412.A NE.A GLU 126.A OE2.A no hydrogen 2.440 N/A ARG 412.A NH1.A ASP 215.A OD2 no hydrogen 3.274 N/A ARG 412.A NH2.A ALA 82.A O no hydrogen 3.048 N/A ARG 412.A NH2.A GLU 126.A OE1.A no hydrogen 2.809 N/A ARG 412.A NH2.A GLU 126.A OE2.A no hydrogen 3.091 N/A ARG 412.A NH2.B ASP 215.A OD2 no hydrogen 2.628 N/A GLY 413.A N ASN 407.A O no hydrogen 3.089 N/A GLY 413.A N ALA 410.A O no hydrogen 3.384 N/A ALA 417.A N ASP 334.A OD2 no hydrogen 2.883 N/A ARG 420.A N ALA 417.A O no hydrogen 3.164 N/A ARG 420.A NE GLU 337.A OE2 no hydrogen 3.036 N/A ARG 420.A NH1 ASP 334.A OD2 no hydrogen 2.930 N/A ARG 420.A NH2 GLU 337.A OE2 no hydrogen 3.054 N/A SER 431.A OG THR 433.A OG1 no hydrogen 2.450 N/A THR 433.A N SER 431.A OG no hydrogen 3.290 N/A THR 433.A OG1 ASP 285.A OD2 no hydrogen 2.812 N/A THR 433.A OG1 SER 431.A OG no hydrogen 2.450 N/A PHE 434.A N SER 431.A O no hydrogen 2.965 N/A ASN 435.A N PRO 432.A O no hydrogen 3.231 N/A TRP 438.A N ASP 436.A OD1 no hydrogen 2.951 N/A TRP 438.A NE1 GLN 479.A OE1 no hydrogen 2.944 N/A SER 439.A N ASP 436.A OD1 no hydrogen 2.937 N/A SER 439.A OG ASP 436.A OD1 no hydrogen 3.393 N/A SER 439.A OG ASP 436.A OD2 no hydrogen 2.604 N/A ARG 442.A N TRP 438.A O no hydrogen 3.249 N/A ARG 442.A NE ASN 446.A OD1 no hydrogen 2.963 N/A ARG 442.A NH1 VAL 483.A O no hydrogen 2.933 N/A LEU 443.A N SER 439.A O no hydrogen 2.833 N/A PHE 444.A N GLN 440.A O no hydrogen 2.785 N/A PHE 445.A N PRO 441.A O no hydrogen 2.940 N/A ASN 446.A N ARG 442.A O no hydrogen 2.856 N/A ASN 446.A ND2 HIS 508.A O no hydrogen 2.952 N/A ASN 446.A ND2 ASN 510.A O no hydrogen 3.071 N/A SER 447.A N PHE 444.A O no hydrogen 2.950 N/A SER 447.A OG LEU 443.A O no hydrogen 2.790 N/A SER 447.A OG THR 512.A O no hydrogen 3.185 N/A LEU 448.A N PHE 445.A O no hydrogen 3.038 N/A THR 449.A N GLU 452.A OE1 no hydrogen 3.169 N/A GLU 452.A N THR 449.A OG1.B no hydrogen 3.199 N/A GLN 453.A N THR 449.A O no hydrogen 2.804 N/A GLN 453.A NE2 PHE 445.A O no hydrogen 3.042 N/A GLN 454.A N PRO 450.A O no hydrogen 3.104 N/A GLN 454.A NE2 ASN 458.A OD1 no hydrogen 2.780 N/A GLN 454.A NE2 ASP 670.A OD2 no hydrogen 3.197 N/A PHE 455.A N VAL 451.A O no hydrogen 2.946 N/A LEU 456.A N GLU 452.A O no hydrogen 3.183 N/A VAL 457.A N GLN 453.A O no hydrogen 3.051 N/A ASN 458.A N GLN 454.A O no hydrogen 2.888 N/A ALA 459.A N PHE 455.A O no hydrogen 2.946 N/A MET 460.A N LEU 456.A O no hydrogen 3.043 N/A ARG 461.A N VAL 457.A O no hydrogen 2.715 N/A ARG 461.A NE ARG 490.A O no hydrogen 2.673 N/A ARG 461.A NH1 ASN 458.A OD1 no hydrogen 3.094 N/A ARG 461.A NH1 ASP 670.A OD1 no hydrogen 3.151 N/A ARG 461.A NH2 ARG 490.A O no hydrogen 2.723 N/A ARG 461.A NH2 ASP 670.A OD1 no hydrogen 3.079 N/A PHE 462.A N ASN 458.A O no hydrogen 2.916 N/A GLU 463.A N ALA 459.A O no hydrogen 2.915 N/A ILE 464.A N MET 460.A O no hydrogen 2.800 N/A SER 465.A N ARG 461.A O no hydrogen 3.130 N/A SER 465.A OG ARG 461.A O no hydrogen 3.322 N/A SER 465.A OG PHE 462.A O no hydrogen 2.916 N/A LEU 466.A N GLU 463.A O no hydrogen 3.015 N/A VAL 467.A N ILE 464.A O no hydrogen 2.991 N/A LYS 468.A N ASP 170.A OD1 no hydrogen 2.728 N/A SER 469.A N ASP 170.A OD2 no hydrogen 2.793 N/A VAL 472.A N SER 469.A OG no hydrogen 3.029 N/A LYS 473.A N SER 469.A O no hydrogen 3.098 N/A LYS 473.A NZ VAL 467.A O no hydrogen 3.485 N/A LYS 473.A NZ GLU 470.A OE2.A no hydrogen 3.547 N/A LYS 474.A N GLU 470.A O no hydrogen 2.999 N/A ASN 475.A N GLU 471.A O no hydrogen 2.968 N/A ASN 475.A ND2 GLU 471.A OE2.B no hydrogen 3.253 N/A VAL 476.A N VAL 472.A O no hydrogen 2.854 N/A LEU 477.A N LYS 473.A O no hydrogen 3.064 N/A THR 478.A N LYS 474.A O no hydrogen 3.033 N/A THR 478.A OG1 LYS 474.A O no hydrogen 3.218 N/A GLN 479.A N ASN 475.A O no hydrogen 3.316 N/A GLN 479.A NE2 SER 177.A O no hydrogen 3.046 N/A LEU 480.A N VAL 476.A O no hydrogen 2.943 N/A ASN 481.A N LEU 477.A O no hydrogen 2.974 N/A ASN 481.A ND2 ASP 501.A O no hydrogen 2.939 N/A ARG 482.A N GLN 479.A O no hydrogen 2.990 N/A ARG 482.A NH1 GLN 479.A OE1 no hydrogen 3.074 N/A VAL 483.A N LEU 480.A O no hydrogen 3.027 N/A SER 484.A N LEU 480.A O no hydrogen 2.911 N/A HIS 485.A ND1 ASN 481.A OD1 no hydrogen 2.734 N/A VAL 487.A N SER 484.A OG no hydrogen 3.249 N/A ALA 488.A N SER 484.A O no hydrogen 3.257 N/A VAL 489.A N HIS 485.A O no hydrogen 2.850 N/A ARG 490.A N ASP 486.A O no hydrogen 2.978 N/A ARG 490.A NE ASP 670.A OD2 no hydrogen 2.842 N/A ARG 490.A NH1 ASP 486.A OD2 no hydrogen 3.154 N/A ARG 490.A NH2 GLN 454.A OE1 no hydrogen 2.739 N/A ARG 490.A NH2 ASP 670.A OD2 no hydrogen 3.547 N/A VAL 491.A N VAL 487.A O no hydrogen 2.957 N/A ALA 492.A N ALA 488.A O no hydrogen 2.910 N/A ALA 493.A N VAL 489.A O no hydrogen 3.105 N/A ALA 494.A N VAL 491.A O no hydrogen 3.078 N/A ILE 495.A N ALA 492.A O no hydrogen 3.119 N/A LEU 497.A N ALA 492.A O no hydrogen 3.414 N/A ASP 503.A N TYR 507.A OH no hydrogen 3.042 N/A THR 505.A OG1 ASP 503.A OD1 no hydrogen 3.149 N/A TYR 507.A N ASP 504.A O no hydrogen 3.136 N/A TYR 507.A OH ASN 481.A O no hydrogen 2.556 N/A HIS 508.A NE2 SER 439.A O no hydrogen 2.972 N/A ASN 510.A N HIS 508.A ND1 no hydrogen 3.092 N/A THR 512.A N SER 447.A OG no hydrogen 2.800 N/A THR 512.A OG1 GLU 296.A OE1 no hydrogen 2.765 N/A THR 512.A OG1 GLU 296.A OE2 no hydrogen 3.531 N/A ALA 513.A N GLU 296.A OE2 no hydrogen 2.798 N/A SER 516.A OG GLU 452.A OE1 no hydrogen 2.325 N/A SER 516.A OG GLU 452.A OE2 no hydrogen 3.325 N/A ILE 517.A N GLU 452.A OE2 no hydrogen 2.652 N/A VAL 518.A N GLU 452.A OE2 no hydrogen 2.825 N/A GLY 519.A N SER 516.A OG no hydrogen 3.063 N/A SER 520.A N ILE 517.A O no hydrogen 3.185 N/A SER 520.A OG ILE 517.A O no hydrogen 2.599 N/A LEU 523.A N ALA 659.A O no hydrogen 2.807 N/A LYS 527.A N THR 525.A OG1 no hydrogen 3.242 N/A THR 528.A N GLY 557.A O no hydrogen 2.946 N/A THR 528.A OG1 LYS 527.A O no hydrogen 2.468 N/A LEU 529.A N ILE 526.A O no hydrogen 3.143 N/A ARG 530.A N ASP 584.A OD2 no hydrogen 2.833 N/A ARG 530.A NE ASP 584.A OD2 no hydrogen 3.012 N/A ARG 530.A NH1 THR 581.A O no hydrogen 3.033 N/A ARG 530.A NH2 ASP 584.A OD1 no hydrogen 3.037 N/A VAL 531.A N VAL 559.A O no hydrogen 2.879 N/A GLY 532.A N GLY 585.A O no hydrogen 2.980 N/A ILE 533.A N THR 561.A O no hydrogen 2.867 N/A LEU 534.A N VAL 587.A O no hydrogen 2.751 N/A ALA 535.A N VAL 563.A O no hydrogen 2.918 N/A THR 536.A OG1 SER 538.A OG.B no hydrogen 2.794 N/A THR 536.A OG1 GLU 565.A OE1 no hydrogen 3.370 N/A THR 536.A OG1 GLU 565.A OE2 no hydrogen 2.585 N/A THR 537.A N GLU 565.A OE1 no hydrogen 2.881 N/A THR 537.A OG1 GLU 565.A OE1 no hydrogen 3.317 N/A SER 538.A N THR 536.A OG1 no hydrogen 3.064 N/A SER 538.A OG.B THR 536.A OG1 no hydrogen 2.794 N/A LEU 543.A N GLU 539.A O no hydrogen 3.480 N/A ASP 544.A N SER 540.A O no hydrogen 2.940 N/A GLN 545.A N SER 541.A O no hydrogen 2.862 N/A ALA 546.A N ALA 542.A O no hydrogen 2.883 N/A ALA 547.A N LEU 543.A O no hydrogen 2.785 N/A GLN 548.A N ASP 544.A O no hydrogen 2.946 N/A LEU 549.A N GLN 545.A O no hydrogen 2.942 N/A ARG 550.A N ALA 546.A O no hydrogen 2.796 N/A ARG 550.A NH1 GLU 554.A OE2 no hydrogen 3.119 N/A ARG 550.A NH1 VAL 560.A O no hydrogen 3.350 N/A ARG 550.A NH1 ASP 572.A OD2 no hydrogen 3.422 N/A ARG 550.A NH2 GLY 570.A O no hydrogen 3.148 N/A ARG 550.A NH2 ASP 572.A OD2 no hydrogen 2.593 N/A THR 551.A N ALA 547.A O no hydrogen 3.122 N/A THR 551.A OG1 ALA 547.A O no hydrogen 3.133 N/A ARG 552.A N GLN 548.A O no hydrogen 3.403 N/A ARG 552.A NH1 ARG 552.A O no hydrogen 2.925 N/A ARG 552.A NH1 ASP 556.A OD2 no hydrogen 2.786 N/A LEU 553.A N LEU 549.A O no hydrogen 2.999 N/A GLU 554.A N ARG 550.A O no hydrogen 2.880 N/A LYS 555.A N THR 551.A O no hydrogen 3.428 N/A ASP 556.A N LEU 553.A O no hydrogen 3.094 N/A GLY 557.A N GLU 554.A O no hydrogen 2.974 N/A VAL 559.A N LEU 529.A O no hydrogen 2.930 N/A THR 561.A N VAL 531.A O no hydrogen 2.949 N/A VAL 562.A N ASP 572.A OD2 no hydrogen 2.829 N/A VAL 563.A N ILE 533.A O no hydrogen 2.807 N/A ALA 564.A N GLN 573.A O no hydrogen 3.108 N/A GLU 565.A N GLU 565.A OE1 no hydrogen 2.769 N/A ARG 568.A NE.B GLU 569.A O no hydrogen 3.515 N/A VAL 571.A N ARG 568.A O no hydrogen 2.985 N/A ASP 572.A N VAL 562.A O no hydrogen 2.878 N/A GLN 573.A N VAL 562.A O no hydrogen 3.181 N/A TYR 575.A N ALA 564.A O no hydrogen 3.046 N/A TYR 575.A OH ALA 535.A O no hydrogen 2.722 N/A THR 577.A N THR 574.A O no hydrogen 3.037 N/A THR 577.A OG1 GLN 573.A OE1 no hydrogen 3.159 N/A THR 577.A OG1 THR 574.A O no hydrogen 3.404 N/A ALA 578.A N TYR 575.A O no hydrogen 3.226 N/A THR 581.A N ASP 579.A OD2 no hydrogen 2.949 N/A THR 581.A OG1 ASP 579.A OD2 no hydrogen 2.686 N/A GLY 582.A N ASP 579.A O no hydrogen 3.009 N/A PHE 583.A N ALA 580.A O no hydrogen 3.135 N/A ASP 584.A N ARG 530.A O no hydrogen 2.664 N/A GLY 585.A N ARG 530.A O no hydrogen 3.105 N/A VAL 586.A N PRO 620.A O no hydrogen 3.131 N/A VAL 587.A N GLY 532.A O no hydrogen 2.862 N/A VAL 588.A N GLY 622.A O no hydrogen 2.827 N/A VAL 589.A N LEU 534.A O no hydrogen 3.165 N/A ASP 590.A N CYS 624.A O no hydrogen 2.962 N/A GLY 591.A N GLN 545.A OE1 no hydrogen 3.021 N/A ALA 592.A N VAL 589.A O no hydrogen 2.890 N/A ALA 593.A N ASP 590.A O no hydrogen 3.192 N/A LEU 595.A N ALA 592.A O no hydrogen 2.960 N/A PHE 596.A N ALA 593.A O no hydrogen 3.008 N/A ALA 597.A N ALA 594.A O no hydrogen 3.261 N/A LEU 601.A N SER 599.A OG no hydrogen 3.127 N/A ARG 606.A N PRO 603.A O no hydrogen 3.087 N/A ARG 606.A NH1 TYR 575.A O no hydrogen 2.932 N/A ARG 606.A NH1 SER 576.A O no hydrogen 2.892 N/A GLN 609.A N GLY 605.A O no hydrogen 2.938 N/A GLN 609.A NE2 ASP 613.A OD1 no hydrogen 2.804 N/A ILE 610.A N ARG 606.A O no hydrogen 3.041 N/A PHE 611.A N PRO 607.A O no hydrogen 3.424 N/A VAL 612.A N LEU 608.A O no hydrogen 2.815 N/A ASP 613.A N GLN 609.A O no hydrogen 2.739 N/A ALA 614.A N ILE 610.A O no hydrogen 2.996 N/A TYR 615.A N PHE 611.A O no hydrogen 3.080 N/A ARG 616.A N VAL 612.A O no hydrogen 2.948 N/A TRP 617.A N ASP 613.A O no hydrogen 2.982 N/A GLY 618.A N TYR 615.A O no hydrogen 2.966 N/A LYS 619.A N ALA 614.A O no hydrogen 2.965 N/A LYS 619.A NZ GLU 239.A OE2 no hydrogen 2.706 N/A LYS 619.A NZ PHE 583.A O no hydrogen 2.910 N/A VAL 621.A N GLY 640.A O no hydrogen 3.015 N/A GLY 622.A N VAL 586.A O no hydrogen 3.069 N/A VAL 623.A N TYR 642.A O no hydrogen 2.935 N/A CYS 624.A N VAL 588.A O no hydrogen 2.936 N/A CYS 624.A SG GLU 644.A O no hydrogen 4.025 N/A GLY 625.A N GLU 644.A O no hydrogen 2.767 N/A ASP 630.A N SER 626.A O no hydrogen 2.807 N/A ALA 631.A N GLU 627.A O no hydrogen 3.150 N/A ALA 632.A N VAL 628.A O no hydrogen 3.009 N/A ASP 633.A N ASP 630.A O no hydrogen 2.708 N/A VAL 634.A N LEU 629.A O no hydrogen 2.730 N/A GLY 638.A N PRO 635.A O no hydrogen 3.009 N/A VAL 641.A N GLY 638.A O no hydrogen 3.139 N/A TYR 642.A N VAL 621.A O no hydrogen 2.968 N/A SER 643.A OG GLU 636.A OE1 no hydrogen 3.298 N/A GLU 644.A N VAL 623.A O no hydrogen 3.293 N/A MET 649.A N SER 646.A OG no hydrogen 3.175 N/A PHE 650.A N SER 646.A O no hydrogen 2.956 N/A VAL 651.A N VAL 647.A O no hydrogen 2.960 N/A GLU 652.A N ASP 648.A O no hydrogen 3.264 N/A GLU 653.A N MET 649.A O no hydrogen 3.208 N/A PHE 654.A N PHE 650.A O no hydrogen 2.809 N/A GLU 655.A N VAL 651.A O no hydrogen 2.888 N/A GLY 657.A N GLU 653.A O no hydrogen 3.207 N/A LEU 658.A N PHE 654.A O no hydrogen 2.921 N/A ALA 659.A N GLU 655.A O no hydrogen 3.203 N/A THR 660.A N LYS 656.A O no hydrogen 3.068 N/A THR 660.A OG1 LYS 656.A O no hydrogen 3.219 N/A PHE 661.A N GLY 657.A O no hydrogen 2.755 N/A ARG 662.A N THR 660.A O no hydrogen 2.787 N/A ARG 662.A NE.A TRP 617.A O no hydrogen 2.563 N/A ARG 662.A NH1.B SER 234.A O no hydrogen 3.107 N/A ARG 662.A NH1.B SER 234.A OG.A no hydrogen 3.132 N/A ARG 662.A NH2.A GLU 239.A OE2 no hydrogen 3.567 N/A ARG 662.A NH2.A TRP 617.A O no hydrogen 3.072 N/A ARG 662.A NH2.B SER 234.A O no hydrogen 2.311 N/A PHE 663.A N GLY 618.A O no hydrogen 2.805 N/A ARG 666.A NH1 TYR 615.A O no hydrogen 2.782 N/A ARG 666.A NH1 LYS 619.A O no hydrogen 2.680 N/A ARG 666.A NH2 LYS 619.A O no hydrogen 3.269 N/A ARG 666.A NH2 ASP 639.A O no hydrogen 3.015 N/A PHE 667.A N THR 664.A O no hydrogen 3.305 N/A ASP 670.A N GLN 454.A OE1 no hydrogen 2.912 N/A SER 671.A OG ASP 670.A O no hydrogen 2.921 N/A