Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N SER 4.A OG no hydrogen 2.960 N/A MET 8.A N SER 4.A O no hydrogen 2.991 N/A ALA 9.A N THR 5.A O no hydrogen 2.713 N/A ASN 10.A N THR 6.A O no hydrogen 2.825 N/A ALA 11.A N LEU 7.A O no hydrogen 3.102 N/A ARG 13.A N ALA 9.A O no hydrogen 3.286 N/A ARG 13.A NE MET 32.A O no hydrogen 3.206 N/A ARG 13.A NH1 ASN 10.A OD1 no hydrogen 3.069 N/A ARG 13.A NH1 GLU 36.A OE2 no hydrogen 2.841 N/A ARG 13.A NH2 GLU 36.A OE1 no hydrogen 2.862 N/A ARG 13.A NH2 GLU 36.A OE2 no hydrogen 3.360 N/A ALA 14.A N ASN 10.A O no hydrogen 2.804 N/A LEU 15.A N ALA 11.A O no hydrogen 3.072 N/A ALA 16.A N ILE 12.A O no hydrogen 2.895 N/A MET 17.A N ARG 13.A O no hydrogen 2.928 N/A ASP 18.A N ALA 14.A O no hydrogen 2.867 N/A ALA 19.A N LEU 15.A O no hydrogen 2.832 N/A VAL 20.A N ALA 16.A O no hydrogen 3.026 N/A GLN 21.A N MET 17.A O no hydrogen 3.036 N/A GLN 22.A N ASP 18.A O no hydrogen 2.924 N/A ALA 23.A N ALA 19.A O no hydrogen 2.970 N/A ASN 24.A N GLN 21.A O no hydrogen 3.120 N/A SER 25.A N VAL 20.A O no hydrogen 3.315 N/A MET 32.A N PRO 28.A O no hydrogen 3.152 N/A GLY 33.A N GLY 29.A O no hydrogen 2.778 N/A MET 34.A N MET 30.A O no hydrogen 2.924 N/A GLY 38.A N MET 34.A O no hydrogen 2.835 N/A VAL 39.A N ALA 35.A O no hydrogen 2.956 N/A ALA 40.A N GLU 36.A O no hydrogen 2.858 N/A LEU 41.A N ILE 37.A O no hydrogen 2.880 N/A TRP 42.A N GLY 38.A O no hydrogen 2.845 N/A SER 43.A N VAL 39.A O no hydrogen 2.998 N/A SER 43.A OG VAL 39.A O no hydrogen 2.861 N/A ARG 44.A NH1 ASP 222.A OD1 no hydrogen 2.940 N/A ARG 44.A NH1 ASP 225.A OD2 no hydrogen 2.991 N/A HIS 45.A N LEU 41.A O no hydrogen 2.998 N/A HIS 45.A NE2 ASP 225.A OD1 no hydrogen 2.712 N/A LEU 46.A N LEU 41.A O no hydrogen 2.880 N/A LYS 47.A N ASP 59.A OD2 no hydrogen 2.728 N/A LYS 47.A NZ ASP 57.A O no hydrogen 3.256 N/A LYS 47.A NZ ASP 57.A OD2 no hydrogen 3.364 N/A LYS 47.A NZ ASP 147.A O no hydrogen 2.796 N/A HIS 48.A ND1 TYR 81.A OH no hydrogen 2.649 N/A ASN 49.A ND2 GLU 283.A OE1 no hydrogen 2.691 N/A THR 51.A N ASN 49.A OD1 no hydrogen 3.297 N/A ASN 52.A N ASN 49.A O no hydrogen 2.813 N/A ASN 52.A ND2 GLU 283.A OE2 no hydrogen 2.842 N/A HIS 54.A N ASN 52.A OD1 no hydrogen 3.007 N/A TRP 55.A N ASN 52.A O no hydrogen 3.086 N/A ARG 58.A N TRP 55.A O no hydrogen 3.404 N/A ARG 58.A NE GLU 111.A OE2 no hydrogen 2.759 N/A ARG 58.A NH1 TRP 55.A O no hydrogen 2.722 N/A ARG 58.A NH2 GLU 111.A OE1 no hydrogen 2.858 N/A ARG 58.A NH2 GLU 111.A OE2 no hydrogen 3.551 N/A ASP 59.A N LYS 47.A O no hydrogen 2.879 N/A ARG 60.A N HIS 149.A O no hydrogen 2.904 N/A ARG 60.A NH1 ALA 56.A O no hydrogen 2.775 N/A ARG 60.A NH1 ARG 58.A O no hydrogen 2.863 N/A ARG 60.A NH2 ALA 56.A O no hydrogen 3.497 N/A ARG 60.A NH2 HIS 409.A O no hydrogen 2.804 N/A VAL 62.A N TYR 151.A O no hydrogen 2.745 N/A SER 64.A N PHE 153.A O no hydrogen 2.855 N/A ASN 65.A N ASN 65.A OD1 no hydrogen 2.536 N/A SER 69.A OG GLY 100.A O no hydrogen 2.721 N/A LEU 71.A N GLY 68.A O no hydrogen 2.978 N/A TYR 73.A N SER 69.A O no hydrogen 2.951 N/A TYR 73.A OH PRO 99.A O no hydrogen 2.886 N/A SER 74.A N MET 70.A O no hydrogen 2.834 N/A SER 74.A OG MET 70.A O no hydrogen 2.789 N/A LEU 75.A N LEU 71.A O no hydrogen 2.993 N/A LEU 76.A N LEU 72.A O no hydrogen 2.812 N/A HIS 77.A N TYR 73.A O no hydrogen 2.866 N/A HIS 77.A ND1 LEU 83.A O no hydrogen 2.713 N/A HIS 77.A NE2 TYR 270.A OH no hydrogen 2.557 N/A LEU 78.A N SER 74.A O no hydrogen 2.684 N/A THR 79.A N LEU 75.A O no hydrogen 2.985 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.853 N/A TYR 81.A N LEU 76.A O no hydrogen 2.979 N/A TYR 81.A OH HIS 48.A ND1 no hydrogen 2.649 N/A LEU 83.A N TYR 81.A O no hydrogen 2.787 N/A GLU 87.A N PRO 84.A O no hydrogen 3.019 N/A LYS 89.A N ILE 85.A O no hydrogen 2.964 N/A ASN 90.A N GLU 86.A O no hydrogen 3.165 N/A PHE 91.A N LEU 88.A O no hydrogen 3.121 N/A ARG 92.A N THR 98.A O no hydrogen 2.854 N/A ARG 92.A NH1 SER 25.A OG no hydrogen 3.013 N/A ARG 92.A NH2 GLY 100.A O no hydrogen 3.512 N/A GLN 93.A N ASN 90.A O no hydrogen 3.132 N/A GLN 93.A NE2 PHE 91.A O no hydrogen 3.085 N/A SER 96.A N GLN 93.A O no hydrogen 2.929 N/A SER 96.A OG ASN 90.A O no hydrogen 3.058 N/A SER 96.A OG GLN 93.A O no hydrogen 3.299 N/A SER 96.A OG THR 98.A OG1 no hydrogen 2.894 N/A LYS 97.A N GLU 87.A OE1 no hydrogen 2.810 N/A THR 98.A N SER 96.A OG no hydrogen 2.895 N/A THR 98.A OG1 GLU 87.A O no hydrogen 2.734 N/A THR 98.A OG1 SER 96.A OG no hydrogen 2.894 N/A TYR 104.A N THR 113.A OG1 no hydrogen 2.813 N/A ILE 106.A N GLU 103.A O no hydrogen 3.237 N/A THR 107.A OG1 LYS 97.A O no hydrogen 2.660 N/A VAL 110.A N THR 107.A O no hydrogen 3.179 N/A THR 112.A OG1 ASN 123.A OD1 no hydrogen 2.827 N/A THR 114.A OG1 LEU 63.A O no hydrogen 2.791 N/A GLN 119.A NE2 ASN 428.A OD1 no hydrogen 2.709 N/A LEU 121.A N GLY 118.A O no hydrogen 3.168 N/A ALA 122.A N GLY 118.A O no hydrogen 3.275 N/A ASN 123.A N GLN 119.A O no hydrogen 2.640 N/A ASN 123.A ND2 ALA 401.A O no hydrogen 2.889 N/A ALA 124.A N GLY 120.A O no hydrogen 2.795 N/A VAL 125.A N LEU 121.A O no hydrogen 2.989 N/A GLY 126.A N ALA 122.A O no hydrogen 3.134 N/A MET 127.A N ASN 123.A O no hydrogen 2.893 N/A ALA 128.A N ALA 124.A O no hydrogen 2.858 N/A LEU 129.A N VAL 125.A O no hydrogen 2.814 N/A GLY 130.A N GLY 126.A O no hydrogen 2.914 N/A GLU 131.A N MET 127.A O no hydrogen 3.001 N/A ALA 132.A N ALA 128.A O no hydrogen 2.974 N/A LEU 133.A N LEU 129.A O no hydrogen 2.902 N/A LEU 134.A N GLY 130.A O no hydrogen 2.972 N/A ALA 135.A N GLU 131.A O no hydrogen 3.071 N/A ALA 136.A N ALA 132.A O no hydrogen 3.079 N/A GLU 137.A N LEU 133.A O no hydrogen 2.833 N/A PHE 138.A N LEU 134.A O no hydrogen 2.682 N/A ASN 139.A N ALA 135.A O no hydrogen 2.907 N/A ASN 139.A ND2 VAL 146.A O no hydrogen 2.843 N/A ARG 140.A N ALA 143.A O no hydrogen 2.882 N/A ARG 140.A NH1 GLU 137.A O no hydrogen 2.963 N/A ARG 140.A NH1 ASN 139.A O no hydrogen 3.336 N/A ALA 143.A N ARG 140.A O no hydrogen 3.103 N/A LYS 144.A NZ ASP 147.A OD2 no hydrogen 3.237 N/A ILE 145.A N ASN 139.A OD1 no hydrogen 2.954 N/A VAL 146.A N ASN 139.A OD1 no hydrogen 2.813 N/A ASP 147.A N ASP 57.A OD1 no hydrogen 2.962 N/A HIS 148.A N GLU 131.A OE2 no hydrogen 2.971 N/A HIS 148.A ND1 ASP 57.A OD1 no hydrogen 2.888 N/A HIS 148.A NE2 HIS 409.A NE2 no hydrogen 2.697 N/A HIS 149.A N ASP 59.A OD1 no hydrogen 2.792 N/A THR 150.A N LYS 177.A O no hydrogen 3.030 N/A TYR 151.A N ARG 60.A O no hydrogen 2.805 N/A VAL 152.A N ILE 179.A O no hydrogen 3.133 N/A PHE 153.A N VAL 62.A O no hydrogen 2.805 N/A LEU 154.A N LEU 181.A O no hydrogen 3.021 N/A MET 159.A N ASP 156.A O no hydrogen 3.045 N/A MET 159.A N GLY 157.A O no hydrogen 3.216 N/A GLU 160.A N GLY 157.A O no hydrogen 3.204 N/A SER 163.A N GLU 160.A O no hydrogen 2.974 N/A SER 163.A OG LEU 158.A O no hydrogen 3.207 N/A SER 163.A OG GLU 160.A O no hydrogen 2.773 N/A HIS 164.A ND1 TYR 208.A OH no hydrogen 2.578 N/A GLU 165.A N GLY 161.A O no hydrogen 3.139 N/A ALA 166.A N ILE 162.A O no hydrogen 2.952 N/A CYS 167.A N SER 163.A O no hydrogen 2.803 N/A CYS 167.A SG SER 163.A O no hydrogen 3.344 N/A SER 168.A N HIS 164.A O no hydrogen 3.123 N/A LEU 169.A N GLU 165.A O no hydrogen 3.348 N/A ALA 170.A N ALA 166.A O no hydrogen 2.997 N/A GLY 171.A N CYS 167.A O no hydrogen 2.889 N/A THR 172.A N SER 168.A O no hydrogen 2.942 N/A THR 172.A OG1 SER 168.A O no hydrogen 3.138 N/A LEU 173.A N LEU 169.A O no hydrogen 2.922 N/A LYS 174.A N GLY 171.A O no hydrogen 3.336 N/A LYS 174.A NZ ASN 378.A O no hydrogen 2.729 N/A LYS 174.A NZ ALA 379.A O no hydrogen 3.351 N/A LYS 174.A NZ GLY 381.A O no hydrogen 3.472 N/A LEU 175.A N ALA 170.A O no hydrogen 3.115 N/A ASN 176.A N LYS 174.A O no hydrogen 2.852 N/A ASN 176.A ND2 SER 234.A O no hydrogen 3.270 N/A LYS 177.A NZ GLU 131.A OE2 no hydrogen 2.712 N/A LYS 177.A NZ ASP 147.A OD1 no hydrogen 2.584 N/A LEU 178.A N LEU 175.A O no hydrogen 3.159 N/A ILE 179.A N THR 150.A O no hydrogen 2.869 N/A ALA 180.A N SER 238.A O no hydrogen 2.762 N/A LEU 181.A N VAL 152.A O no hydrogen 2.797 N/A TYR 182.A N ILE 240.A O no hydrogen 2.779 N/A TYR 182.A OH ASP 156.A OD1 no hydrogen 2.361 N/A ASP 183.A N LEU 154.A O no hydrogen 2.821 N/A ASP 184.A N CYS 242.A O no hydrogen 2.765 N/A ILE 187.A N ASN 185.A OD1 no hydrogen 3.243 N/A SER 188.A N GLY 191.A O no hydrogen 3.059 N/A GLY 191.A N SER 188.A O no hydrogen 3.118 N/A VAL 193.A N GLY 186.A O no hydrogen 2.991 N/A ASN 195.A N ASP 192.A O no hydrogen 3.423 N/A TRP 196.A N VAL 193.A O no hydrogen 2.872 N/A TRP 196.A NE1 SER 188.A OG no hydrogen 2.963 N/A PHE 197.A N VAL 193.A O no hydrogen 2.542 N/A LYS 203.A N ASP 200.A OD1 no hydrogen 3.185 N/A ARG 204.A N ASP 200.A O no hydrogen 2.947 N/A ARG 204.A NE TYR 208.A OH no hydrogen 2.903 N/A ARG 204.A NH1 LEU 158.A O no hydrogen 2.812 N/A ARG 204.A NH2 SER 163.A OG no hydrogen 3.012 N/A ARG 204.A NH2 TYR 208.A OH no hydrogen 3.153 N/A PHE 205.A N THR 201.A O no hydrogen 2.944 N/A GLU 206.A N PRO 202.A O no hydrogen 3.000 N/A ALA 207.A N LYS 203.A O no hydrogen 2.874 N/A TYR 208.A N PHE 205.A O no hydrogen 2.975 N/A TYR 208.A OH HIS 164.A ND1 no hydrogen 2.578 N/A GLY 209.A N GLU 206.A O no hydrogen 2.902 N/A TRP 210.A N PHE 205.A O no hydrogen 2.978 N/A TRP 210.A NE1 CYS 167.A O no hydrogen 2.853 N/A ASN 211.A N PRO 237.A O no hydrogen 2.781 N/A ASN 211.A ND2 SER 238.A OG no hydrogen 2.892 N/A ILE 213.A N LEU 239.A O no hydrogen 2.865 N/A VAL 216.A N CYS 241.A O no hydrogen 2.908 N/A GLY 218.A N LYS 243.A O no hydrogen 2.730 N/A HIS 219.A N ASN 217.A OD1 no hydrogen 2.912 N/A HIS 219.A ND1 GLU 36.A OE1 no hydrogen 2.603 N/A ASP 220.A N ASN 217.A O no hydrogen 3.032 N/A ALA 223.A N ASP 220.A OD2 no hydrogen 3.112 N/A ILE 224.A N ASP 220.A O no hydrogen 2.964 N/A ASP 225.A N VAL 221.A O no hydrogen 2.795 N/A ALA 226.A N ASP 222.A O no hydrogen 2.903 N/A ALA 227.A N ALA 223.A O no hydrogen 2.940 N/A ILE 228.A N ILE 224.A O no hydrogen 2.815 N/A ALA 229.A N ASP 225.A O no hydrogen 2.899 N/A LYS 230.A N ALA 226.A O no hydrogen 2.957 N/A ALA 231.A N ALA 227.A O no hydrogen 2.949 N/A LYS 232.A N ILE 228.A O no hydrogen 2.956 N/A ARG 233.A N LYS 230.A O no hydrogen 2.813 N/A SER 234.A N ALA 231.A O no hydrogen 2.968 N/A SER 234.A OG LYS 236.A O no hydrogen 2.906 N/A LYS 236.A N SER 234.A OG no hydrogen 2.940 N/A SER 238.A N LEU 178.A O no hydrogen 3.081 N/A SER 238.A OG LYS 236.A O no hydrogen 3.533 N/A LEU 239.A N ASN 211.A O no hydrogen 2.852 N/A ILE 240.A N ALA 180.A O no hydrogen 2.755 N/A CYS 241.A N ILE 213.A O no hydrogen 2.935 N/A CYS 242.A N TYR 182.A O no hydrogen 2.833 N/A CYS 242.A SG ILE 240.A O no hydrogen 3.901 N/A LYS 243.A N VAL 216.A O no hydrogen 2.866 N/A LYS 243.A NZ ASP 184.A OD2 no hydrogen 2.753 N/A THR 244.A N ASP 184.A O no hydrogen 3.412 N/A THR 244.A OG1 ASP 183.A OD1 no hydrogen 2.491 N/A ILE 249.A N GLY 245.A O no hydrogen 3.058 N/A ALA 250.A N ALA 246.A O no hydrogen 2.981 N/A LYS 251.A N ASP 247.A O no hydrogen 2.961 N/A THR 252.A N GLU 248.A O no hydrogen 2.906 N/A THR 252.A OG1 GLU 248.A O no hydrogen 2.755 N/A ARG 253.A N ILE 249.A O no hydrogen 3.007 N/A ARG 253.A NE TRP 260.A O no hydrogen 3.050 N/A ARG 253.A NH1 ASP 18.A OD1 no hydrogen 2.779 N/A ARG 253.A NH1 ASP 18.A OD2 no hydrogen 3.465 N/A ARG 253.A NH2 ASP 18.A OD2 no hydrogen 2.718 N/A ARG 253.A NH2 TRP 260.A O no hydrogen 2.799 N/A GLU 254.A N ALA 250.A O no hydrogen 3.258 N/A ALA 255.A N LYS 251.A O no hydrogen 2.965 N/A LEU 256.A N THR 252.A O no hydrogen 2.819 N/A GLY 257.A N GLU 254.A O no hydrogen 3.082 N/A TRP 258.A N ARG 253.A O no hydrogen 2.919 N/A VAL 264.A N ALA 261.A O no hydrogen 3.023 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.922 N/A VAL 269.A N PRO 266.A O no hydrogen 2.953 N/A TYR 270.A N PRO 266.A O no hydrogen 3.284 N/A TYR 270.A OH HIS 77.A NE2 no hydrogen 2.557 N/A ALA 271.A N GLN 267.A O no hydrogen 2.901 N/A ALA 272.A N GLU 268.A O no hydrogen 3.001 N/A TRP 273.A N VAL 269.A O no hydrogen 2.936 N/A TRP 273.A N TYR 270.A O no hydrogen 3.196 N/A TRP 273.A NE1 MET 8.A O no hydrogen 3.015 N/A ASP 274.A N TYR 270.A O no hydrogen 2.751 N/A ALA 275.A N THR 79.A O no hydrogen 2.756 N/A LYS 276.A N ASP 274.A OD2 no hydrogen 2.972 N/A LYS 276.A NZ ASP 274.A OD1 no hydrogen 2.802 N/A GLY 279.A N ALA 275.A O no hydrogen 2.779 N/A LYS 280.A N LYS 276.A O no hydrogen 2.865 N/A LYS 280.A NZ ASP 284.A OD2 no hydrogen 3.060 N/A ARG 281.A N GLU 277.A O no hydrogen 3.253 N/A SER 282.A N ALA 278.A O no hydrogen 2.971 N/A SER 282.A OG ALA 278.A O no hydrogen 3.039 N/A GLU 283.A N GLY 279.A O no hydrogen 2.955 N/A ASP 284.A N LYS 280.A O no hydrogen 2.727 N/A ASP 285.A N ARG 281.A O no hydrogen 2.831 N/A TRP 286.A N SER 282.A O no hydrogen 2.964 N/A TRP 286.A NE1 ILE 145.A O no hydrogen 2.770 N/A ASN 287.A N GLU 283.A O no hydrogen 2.718 N/A ALA 288.A N ASP 284.A O no hydrogen 3.037 N/A ALA 289.A N ASP 285.A O no hydrogen 2.908 N/A PHE 290.A N TRP 286.A O no hydrogen 2.836 N/A ALA 291.A N ASN 287.A O no hydrogen 2.902 N/A GLN 292.A N ALA 288.A O no hydrogen 3.091 N/A TYR 293.A N ALA 289.A O no hydrogen 3.155 N/A TYR 293.A OH PHE 138.A O no hydrogen 2.612 N/A ARG 294.A N PHE 290.A O no hydrogen 2.772 N/A ARG 294.A NH2 GLU 305.A OE1 no hydrogen 2.974 N/A ALA 295.A N ALA 291.A O no hydrogen 2.949 N/A LYS 296.A N GLN 292.A O no hydrogen 3.202 N/A TYR 297.A N TYR 293.A O no hydrogen 2.620 N/A TYR 297.A OH ASP 142.A OD1 no hydrogen 2.612 N/A GLU 300.A N GLU 300.A OE1 no hydrogen 2.767 N/A ALA 301.A N TYR 297.A O no hydrogen 2.929 N/A ALA 302.A N PRO 298.A O no hydrogen 3.214 N/A GLU 303.A N ALA 299.A O no hydrogen 2.953 N/A PHE 304.A N GLU 300.A O no hydrogen 2.810 N/A GLU 305.A N ALA 301.A O no hydrogen 3.109 N/A ARG 306.A N ALA 302.A O no hydrogen 2.965 N/A ARG 306.A NE GLU 303.A OE2 no hydrogen 2.824 N/A ARG 306.A NH1 THR 311.A O no hydrogen 2.738 N/A ARG 306.A NH1 GLU 353.A OE2 no hydrogen 2.809 N/A ARG 306.A NH2 GLU 303.A OE1 no hydrogen 2.895 N/A ARG 306.A NH2 GLU 353.A OE1 no hydrogen 2.775 N/A ARG 307.A N GLU 303.A O no hydrogen 2.908 N/A ARG 307.A NE GLY 411.A O no hydrogen 3.064 N/A ARG 307.A NH1 GLU 137.A OE2 no hydrogen 2.792 N/A ARG 307.A NH2 GLU 137.A OE1 no hydrogen 2.861 N/A ARG 307.A NH2 GLU 137.A OE2 no hydrogen 3.381 N/A ARG 307.A NH2 GLY 411.A O no hydrogen 3.165 N/A MET 308.A N PHE 304.A O no hydrogen 2.721 N/A ALA 309.A N GLU 305.A O no hydrogen 3.150 N/A GLY 310.A N ARG 307.A O no hydrogen 3.030 N/A THR 311.A N ARG 306.A O no hydrogen 3.147 N/A TRP 316.A N PRO 313.A O no hydrogen 2.900 N/A LYS 319.A N ASP 315.A O no hydrogen 3.091 N/A LYS 319.A NZ ASP 315.A OD1 no hydrogen 3.084 N/A ALA 320.A N TRP 316.A O no hydrogen 2.831 N/A ALA 321.A N ALA 317.A O no hydrogen 3.111 N/A ALA 322.A N ALA 318.A O no hydrogen 3.115 N/A ILE 323.A N LYS 319.A O no hydrogen 3.244 N/A VAL 324.A N ALA 320.A O no hydrogen 3.061 N/A ALA 325.A N ALA 321.A O no hydrogen 2.803 N/A GLY 326.A N ALA 322.A O no hydrogen 2.993 N/A ALA 327.A N ILE 323.A O no hydrogen 3.234 N/A ASN 328.A N VAL 324.A O no hydrogen 3.122 N/A GLU 329.A N ALA 325.A O no hydrogen 2.811 N/A ARG 330.A N GLY 326.A O no hydrogen 2.968 N/A GLY 331.A N ALA 327.A O no hydrogen 3.259 N/A THR 336.A N SER 503.A OG no hydrogen 2.971 N/A THR 336.A OG1 SER 503.A OG no hydrogen 3.317 N/A ARG 337.A N SER 503.A O no hydrogen 3.075 N/A ARG 337.A NE ARG 504.A O no hydrogen 3.358 N/A ARG 337.A NH1 SER 364.A O no hydrogen 2.964 N/A LYS 338.A N ALA 335.A O no hydrogen 2.857 N/A ALA 339.A N ALA 335.A O no hydrogen 2.994 N/A SER 340.A N THR 336.A O no hydrogen 2.751 N/A GLN 341.A N ARG 337.A O no hydrogen 3.056 N/A GLN 341.A NE2.A ASN 368.A O no hydrogen 2.753 N/A GLN 341.A NE2.B ASN 368.A O no hydrogen 3.037 N/A GLN 342.A N LYS 338.A O no hydrogen 2.910 N/A GLN 342.A NE2 GLU 332.A OE1 no hydrogen 3.080 N/A THR 343.A N ALA 339.A O no hydrogen 2.950 N/A THR 343.A OG1 ALA 339.A O no hydrogen 3.154 N/A ILE 344.A N SER 340.A O no hydrogen 2.774 N/A GLU 345.A N GLN 341.A O no hydrogen 2.899 N/A GLY 346.A N GLN 342.A O no hydrogen 3.075 N/A LEU 347.A N THR 343.A O no hydrogen 2.694 N/A ALA 348.A N ILE 344.A O no hydrogen 2.760 N/A VAL 350.A N LEU 347.A O no hydrogen 3.077 N/A LEU 351.A N LEU 347.A O no hydrogen 2.718 N/A GLU 353.A N GLU 353.A OE1 no hydrogen 2.786 N/A LEU 354.A N LEU 351.A O no hydrogen 3.015 N/A LEU 355.A N LYS 413.A O no hydrogen 2.923 N/A GLY 356.A N ASN 388.A O no hydrogen 2.928 N/A SER 358.A N ILE 390.A O no hydrogen 3.078 N/A SER 358.A OG ASN 365.A OD1 no hydrogen 2.900 N/A SER 358.A OG GLY 417.A O no hydrogen 3.480 N/A ALA 359.A N GLY 417.A O no hydrogen 2.923 N/A LEU 361.A N SER 358.A OG no hydrogen 2.978 N/A ASN 365.A N LEU 361.A O no hydrogen 2.654 N/A ASN 365.A ND2 THR 445.A OG1 no hydrogen 2.994 N/A LEU 366.A N THR 362.A O no hydrogen 2.858 N/A THR 367.A OG1 HIS 389.A NE2 no hydrogen 2.902 N/A TRP 369.A N ASN 368.A OD1 no hydrogen 3.033 N/A LYS 370.A NZ GLU 345.A OE1 no hydrogen 3.237 N/A SER 372.A N TRP 369.A O no hydrogen 2.939 N/A SER 372.A OG ASN 368.A OD1 no hydrogen 2.558 N/A SER 372.A OG TRP 369.A O no hydrogen 3.022 N/A LYS 373.A N ASN 388.A OD1 no hydrogen 2.792 N/A VAL 375.A N HIS 389.A O no hydrogen 2.987 N/A ARG 376.A NH1 VAL 375.A O no hydrogen 2.814 N/A ARG 376.A NH1 ASN 391.A OD1 no hydrogen 2.924 N/A ARG 376.A NH2 ASN 391.A OD1 no hydrogen 3.055 N/A ASN 378.A N GLY 383.A O no hydrogen 2.964 N/A ASN 378.A ND2 PRO 382.A O no hydrogen 2.688 N/A GLY 383.A N LYS 174.A O no hydrogen 2.634 N/A GLN 385.A N ARG 376.A O no hydrogen 2.725 N/A ASN 388.A N LYS 373.A O no hydrogen 2.771 N/A HIS 389.A N LYS 373.A O no hydrogen 3.231 N/A HIS 389.A NE2 THR 367.A OG1 no hydrogen 2.902 N/A ILE 390.A N GLY 356.A O no hydrogen 2.838 N/A TYR 392.A N SER 358.A O no hydrogen 2.998 N/A ARG 395.A N GLY 393.A O no hydrogen 2.730 N/A ARG 395.A NH1 TYR 392.A O no hydrogen 2.658 N/A ARG 395.A NH2 SER 168.A OG no hydrogen 2.878 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.747 N/A GLY 398.A N GLU 165.A OE1 no hydrogen 2.730 N/A MET 399.A N ARG 395.A O no hydrogen 2.704 N/A SER 400.A N GLU 396.A O no hydrogen 2.894 N/A SER 400.A OG GLU 396.A O no hydrogen 2.909 N/A ALA 401.A N PHE 397.A O no hydrogen 2.857 N/A ALA 402.A N GLY 398.A O no hydrogen 2.912 N/A ILE 403.A N MET 399.A O no hydrogen 2.818 N/A ASN 404.A N SER 400.A O no hydrogen 3.037 N/A ASN 404.A ND2 ALA 429.A O no hydrogen 3.071 N/A GLY 405.A N ALA 401.A O no hydrogen 3.049 N/A LEU 406.A N ALA 402.A O no hydrogen 2.719 N/A VAL 407.A N ILE 403.A O no hydrogen 2.754 N/A LEU 408.A N ASN 404.A O no hydrogen 2.833 N/A HIS 409.A N GLY 405.A O no hydrogen 2.834 N/A HIS 409.A ND1 GLY 410.A O no hydrogen 2.970 N/A HIS 409.A NE2 HIS 148.A NE2 no hydrogen 2.697 N/A GLY 410.A N LEU 406.A O no hydrogen 3.468 N/A TYR 412.A OH GLU 137.A OE1 no hydrogen 2.856 N/A LYS 413.A N GLU 353.A O no hydrogen 2.787 N/A LYS 413.A NZ VAL 492.A O no hydrogen 3.379 N/A PHE 415.A N LEU 355.A O no hydrogen 2.896 N/A GLY 416.A N ILE 441.A O no hydrogen 3.216 N/A GLY 417.A N GLY 357.A O no hydrogen 2.960 N/A THR 418.A N VAL 443.A O no hydrogen 3.101 N/A LEU 420.A N THR 445.A O no hydrogen 2.949 N/A THR 421.A OG1 HIS 458.A O no hydrogen 2.571 N/A THR 421.A OG1 SER 460.A OG no hydrogen 2.928 N/A PHE 422.A N PHE 419.A O no hydrogen 2.920 N/A SER 423.A N LEU 420.A O no hydrogen 2.815 N/A SER 423.A OG LEU 420.A O no hydrogen 2.528 N/A ASP 424.A N THR 421.A O no hydrogen 3.046 N/A TYR 425.A N PHE 422.A O no hydrogen 2.975 N/A SER 426.A N PHE 422.A O no hydrogen 3.428 N/A ARG 427.A NH1 SER 466.A OG no hydrogen 2.865 N/A ARG 427.A NH2 SER 466.A O no hydrogen 2.602 N/A ALA 429.A N SER 426.A O no hydrogen 2.962 N/A LEU 430.A N SER 426.A O no hydrogen 3.389 N/A ARG 431.A N ARG 427.A O no hydrogen 2.978 N/A VAL 432.A N ASN 428.A O no hydrogen 2.963 N/A ALA 433.A N ALA 429.A O no hydrogen 3.162 N/A ALA 434.A N LEU 430.A O no hydrogen 3.115 N/A LEU 435.A N ARG 431.A O no hydrogen 2.921 N/A MET 436.A N VAL 432.A O no hydrogen 2.716 N/A VAL 438.A N ALA 433.A O no hydrogen 3.158 N/A SER 440.A N VAL 438.A O no hydrogen 2.818 N/A SER 440.A OG ASN 404.A OD1 no hydrogen 2.845 N/A PHE 442.A N SER 498.A O no hydrogen 2.785 N/A VAL 443.A N GLY 416.A O no hydrogen 2.839 N/A PHE 444.A N LEU 500.A O no hydrogen 2.810 N/A THR 445.A N THR 418.A O no hydrogen 3.035 N/A THR 445.A OG1 HIS 446.A ND1 no hydrogen 2.868 N/A HIS 446.A ND1 THR 445.A OG1 no hydrogen 2.868 N/A GLY 450.A N SER 448.A OG no hydrogen 2.880 N/A LEU 451.A N SER 448.A O no hydrogen 3.109 N/A GLY 452.A N ILE 449.A O no hydrogen 2.852 N/A GLU 453.A N GLU 453.A OE1 no hydrogen 2.676 N/A GLY 455.A N GLY 452.A O no hydrogen 3.104 N/A HIS 458.A N GLY 455.A O no hydrogen 3.019 N/A GLN 459.A N GLY 455.A O no hydrogen 2.996 N/A GLN 459.A NE2 GLY 452.A O no hydrogen 2.651 N/A GLN 459.A NE2 GLU 623.A O no hydrogen 2.853 N/A SER 460.A OG THR 421.A OG1 no hydrogen 2.928 N/A GLU 462.A N GLU 462.A OE1 no hydrogen 2.754 N/A HIS 463.A NE2 ASP 424.A OD2 no hydrogen 2.635 N/A SER 466.A N GLU 462.A O no hydrogen 2.794 N/A SER 466.A OG GLU 462.A O no hydrogen 3.413 N/A SER 466.A OG HIS 463.A O no hydrogen 3.159 N/A LEU 467.A N HIS 463.A O no hydrogen 2.964 N/A ARG 468.A N VAL 464.A O no hydrogen 3.164 N/A ARG 468.A NH1 GLU 598.A OE1 no hydrogen 2.751 N/A ARG 468.A NH2 GLU 598.A OE2 no hydrogen 2.986 N/A LEU 469.A N ALA 465.A O no hydrogen 3.288 N/A ILE 470.A N LEU 467.A O no hydrogen 3.100 N/A ASN 472.A ND2 ALA 434.A O no hydrogen 2.833 N/A LEU 473.A N ILE 470.A O no hydrogen 3.314 N/A ASP 474.A N PRO 497.A O no hydrogen 3.027 N/A VAL 475.A N ASP 574.A OD2 no hydrogen 2.854 N/A TRP 476.A N CYS 499.A O no hydrogen 2.758 N/A ARG 477.A N PRO 571.A O no hydrogen 2.790 N/A ARG 477.A NE ASP 447.A OD2 no hydrogen 2.764 N/A ARG 477.A NH1 THR 544.A OG1 no hydrogen 2.831 N/A ARG 477.A NH1 GLU 547.A OE1 no hydrogen 2.860 N/A ARG 477.A NH2 ASP 447.A OD2 no hydrogen 3.131 N/A ARG 477.A NH2 GLU 547.A OE1 no hydrogen 2.855 N/A ALA 479.A N GLU 483.A OE1 no hydrogen 2.788 N/A GLU 483.A N ASP 480.A OD1 no hydrogen 2.955 N/A THR 484.A N ASP 480.A O no hydrogen 2.895 N/A THR 484.A OG1 ASP 480.A O no hydrogen 2.765 N/A ALA 485.A N THR 481.A O no hydrogen 2.955 N/A VAL 486.A N VAL 482.A O no hydrogen 3.012 N/A ALA 487.A N GLU 483.A O no hydrogen 2.835 N/A TRP 488.A N THR 484.A O no hydrogen 2.977 N/A TRP 488.A NE1 SER 340.A OG no hydrogen 2.912 N/A THR 489.A N ALA 485.A O no hydrogen 2.970 N/A THR 489.A OG1 ALA 485.A O no hydrogen 2.819 N/A THR 489.A OG1 VAL 486.A O no hydrogen 3.251 N/A TYR 490.A N VAL 486.A O no hydrogen 2.813 N/A ALA 491.A N ALA 487.A O no hydrogen 2.875 N/A VAL 492.A N TRP 488.A O no hydrogen 2.990 N/A ALA 493.A N TYR 490.A O no hydrogen 3.136 N/A HIS 494.A ND1 TYR 490.A O no hydrogen 2.721 N/A HIS 496.A ND1 ASN 472.A OD1 no hydrogen 2.508 N/A SER 498.A N SER 440.A O no hydrogen 3.034 N/A CYS 499.A N ASP 474.A O no hydrogen 2.803 N/A LEU 500.A N PHE 442.A O no hydrogen 2.890 N/A ILE 501.A N TRP 476.A O no hydrogen 2.661 N/A PHE 502.A N PHE 444.A O no hydrogen 2.632 N/A SER 503.A N THR 336.A OG1 no hydrogen 2.842 N/A SER 503.A OG THR 336.A OG1 no hydrogen 3.317 N/A SER 503.A OG GLN 505.A O no hydrogen 2.861 N/A GLN 505.A N GLN 505.A OE1 no hydrogen 2.769 N/A LEU 507.A N VAL 334.A O no hydrogen 2.991 N/A ALA 508.A N GLU 549.A OE1 no hydrogen 3.014 N/A PHE 509.A N THR 333.A OG1 no hydrogen 3.105 N/A ASN 510.A N ASP 480.A OD2 no hydrogen 3.091 N/A ASN 510.A ND2 ASP 480.A OD2 no hydrogen 2.966 N/A ARG 512.A NE TYR 525.A OH no hydrogen 2.853 N/A ARG 512.A NH1 ASP 480.A OD2 no hydrogen 2.983 N/A ARG 512.A NH2 ASP 480.A OD1 no hydrogen 3.431 N/A ARG 512.A NH2 ASP 480.A OD2 no hydrogen 2.836 N/A ARG 512.A NH2 GLU 483.A OE2 no hydrogen 3.334 N/A ARG 512.A NH2 TYR 525.A OH no hydrogen 3.117 N/A THR 513.A N GLN 516.A OE1 no hydrogen 2.984 N/A GLN 516.A N THR 513.A OG1 no hydrogen 3.061 N/A LEU 517.A N THR 513.A O no hydrogen 2.882 N/A ALA 518.A N ASP 514.A O no hydrogen 3.063 N/A ALA 518.A N ALA 515.A O no hydrogen 3.218 N/A ASN 519.A N GLN 516.A O no hydrogen 3.007 N/A LYS 522.A N ASN 519.A O no hydrogen 2.952 N/A GLY 523.A N VAL 520.A O no hydrogen 3.015 N/A TYR 525.A N SER 569.A O no hydrogen 2.960 N/A TYR 525.A OH GLU 483.A OE2 no hydrogen 2.532 N/A LEU 527.A N VAL 567.A O no hydrogen 2.783 N/A ARG 528.A N VAL 567.A O no hydrogen 3.260 N/A ARG 528.A NH1 ALA 565.A O no hydrogen 3.077 N/A TRP 530.A N ASP 529.A OD1 no hydrogen 2.828 N/A TRP 530.A NE1 ALA 564.A O no hydrogen 3.085 N/A ILE 539.A N ALA 564.A O no hydrogen 3.024 N/A ILE 540.A N ARG 593.A O no hydrogen 2.931 N/A LEU 541.A N ARG 566.A O no hydrogen 2.681 N/A ILE 542.A N VAL 595.A O no hydrogen 2.831 N/A ALA 543.A N VAL 568.A O no hydrogen 2.868 N/A THR 544.A OG1 GLU 598.A OE2 no hydrogen 2.573 N/A GLY 545.A N ARG 477.A O no hydrogen 3.147 N/A SER 546.A OG GLU 547.A OE1 no hydrogen 3.163 N/A SER 546.A OG GLU 547.A OE2 no hydrogen 2.661 N/A GLU 547.A N THR 544.A O no hydrogen 2.903 N/A VAL 548.A N GLY 545.A O no hydrogen 3.128 N/A ALA 551.A N GLU 547.A O no hydrogen 2.964 N/A MET 552.A N VAL 548.A O no hydrogen 2.972 N/A LYS 553.A N GLU 549.A O no hydrogen 2.973 N/A ALA 554.A N ALA 551.A O no hydrogen 3.200 N/A VAL 555.A N MET 552.A O no hydrogen 3.388 N/A LEU 558.A N ALA 554.A O no hydrogen 2.748 N/A ALA 559.A N VAL 555.A O no hydrogen 2.974 N/A GLN 560.A N GLU 556.A O no hydrogen 2.987 N/A GLN 561.A N LEU 558.A O no hydrogen 2.899 N/A GLY 562.A N ALA 559.A O no hydrogen 2.777 N/A ILE 563.A N LEU 558.A O no hydrogen 2.837 N/A ALA 564.A N ARG 537.A O no hydrogen 2.725 N/A ARG 566.A N ILE 539.A O no hydrogen 2.975 N/A ARG 566.A NE ASP 529.A OD1 no hydrogen 3.012 N/A ARG 566.A NH1 ARG 586.A O no hydrogen 2.783 N/A ARG 566.A NH1 VAL 587.A O no hydrogen 2.813 N/A ARG 566.A NH2 ASP 529.A OD1 no hydrogen 2.870 N/A ARG 566.A NH2 ASP 529.A OD2 no hydrogen 3.521 N/A VAL 567.A N ARG 528.A O no hydrogen 2.829 N/A VAL 568.A N LEU 541.A O no hydrogen 2.695 N/A SER 569.A N TYR 525.A O no hydrogen 2.870 N/A SER 569.A OG GLU 483.A OE2 no hydrogen 2.703 N/A MET 570.A N ALA 543.A O no hydrogen 2.839 N/A SER 572.A N GLY 523.A O no hydrogen 2.913 N/A SER 572.A OG VAL 475.A O no hydrogen 2.895 N/A VAL 575.A N SER 572.A OG no hydrogen 3.265 N/A PHE 576.A N SER 572.A O no hydrogen 2.858 N/A ASP 577.A N SER 573.A O no hydrogen 2.919 N/A ARG 578.A N VAL 575.A O no hydrogen 3.179 N/A ARG 578.A NH1 ASP 474.A OD1 no hydrogen 2.867 N/A ARG 578.A NH2 ASP 474.A OD2 no hydrogen 3.249 N/A ARG 578.A NH2 TYR 490.A OH no hydrogen 2.835 N/A GLN 579.A N PHE 576.A O no hydrogen 3.193 N/A GLN 579.A NE2 VAL 575.A O no hydrogen 2.922 N/A TYR 583.A N ASP 580.A OD1 no hydrogen 3.294 N/A TYR 583.A OH GLY 524.A O no hydrogen 2.727 N/A ARG 584.A N ASP 580.A O no hydrogen 3.157 N/A ARG 584.A NE GLN 579.A O no hydrogen 2.774 N/A ARG 584.A NH2 GLN 579.A O no hydrogen 3.500 N/A GLU 585.A N ALA 581.A O no hydrogen 2.949 N/A ARG 586.A N GLU 582.A O no hydrogen 2.976 N/A VAL 587.A N TYR 583.A O no hydrogen 3.032 N/A LEU 588.A N ARG 584.A O no hydrogen 2.901 N/A HIS 590.A N GLU 585.A OE1 no hydrogen 2.815 N/A VAL 592.A N PRO 589.A O no hydrogen 3.205 N/A ARG 593.A NH1 VAL 648.A O no hydrogen 2.733 N/A ARG 593.A NH1 ALA 650.A O no hydrogen 3.517 N/A ARG 594.A NE VAL 592.A O no hydrogen 2.633 N/A ARG 594.A NH1 TYR 608.A O no hydrogen 2.766 N/A ARG 594.A NH2 PRO 589.A O no hydrogen 2.921 N/A VAL 595.A N ILE 540.A O no hydrogen 2.760 N/A ALA 596.A N GLY 614.A O no hydrogen 2.847 N/A ILE 597.A N ILE 542.A O no hydrogen 2.645 N/A GLU 598.A N VAL 616.A O no hydrogen 3.033 N/A ALA 599.A N GLU 547.A OE1 no hydrogen 2.788 N/A GLY 600.A N GLU 598.A O no hydrogen 2.793 N/A VAL 601.A N VAL 461.A O no hydrogen 2.724 N/A THR 602.A N ASP 619.A OD1 no hydrogen 2.854 N/A THR 602.A OG1 ASP 619.A OD1 no hydrogen 3.189 N/A THR 602.A OG1 ASP 619.A OD2 no hydrogen 2.628 N/A TRP 605.A N THR 602.A O no hydrogen 2.949 N/A TRP 605.A NE1 GLU 598.A OE1 no hydrogen 2.973 N/A ARG 606.A N ASP 603.A O no hydrogen 3.165 N/A ARG 606.A NH1 GLY 610.A O no hydrogen 3.242 N/A ARG 606.A NH1 GLY 613.A O no hydrogen 2.871 N/A LYS 607.A N PHE 604.A O no hydrogen 3.456 N/A LYS 607.A NZ ASP 577.A OD1 no hydrogen 3.324 N/A LYS 607.A NZ ASP 577.A OD2 no hydrogen 3.020 N/A LYS 607.A NZ TYR 608.A OH no hydrogen 3.292 N/A TYR 608.A N TRP 605.A O no hydrogen 2.795 N/A TYR 608.A OH ASP 577.A OD1 no hydrogen 2.559 N/A TYR 608.A OH ASP 577.A OD2 no hydrogen 3.172 N/A VAL 609.A N TRP 605.A O no hydrogen 2.793 N/A GLY 610.A N ARG 606.A O no hydrogen 2.851 N/A GLU 612.A N GLU 612.A OE1 no hydrogen 2.248 N/A GLY 613.A N GLY 610.A O no hydrogen 3.314 N/A GLY 614.A N ARG 594.A O no hydrogen 2.922 N/A VAL 616.A N ALA 596.A O no hydrogen 2.723 N/A ILE 618.A N GLY 600.A O no hydrogen 3.097 N/A THR 620.A OG1 PHE 621.A O no hydrogen 2.874 N/A SER 624.A OG GLU 453.A O no hydrogen 2.444 N/A LEU 630.A N PRO 626.A O no hydrogen 2.943 N/A PHE 631.A N ALA 627.A O no hydrogen 2.878 N/A LYS 632.A N GLY 628.A O no hydrogen 3.291 N/A HIS 633.A N VAL 629.A O no hydrogen 2.910 N/A PHE 634.A N LEU 630.A O no hydrogen 2.765 N/A GLY 635.A N LYS 632.A O no hydrogen 3.011 N/A PHE 636.A N PHE 631.A O no hydrogen 2.771 N/A HIS 640.A N THR 637.A OG1 no hydrogen 2.963 N/A HIS 640.A ND1 GLY 635.A O no hydrogen 2.810 N/A VAL 641.A N THR 637.A O no hydrogen 2.935 N/A ILE 642.A N VAL 638.A O no hydrogen 2.757 N/A GLU 643.A N GLU 639.A O no hydrogen 2.892 N/A THR 644.A N HIS 640.A O no hydrogen 2.990 N/A THR 644.A OG1 HIS 640.A O no hydrogen 2.698 N/A ALA 645.A N VAL 641.A O no hydrogen 2.912 N/A LYS 646.A N ILE 642.A O no hydrogen 2.984 N/A LYS 646.A NZ GLN 561.A OE1 no hydrogen 3.389 N/A ALA 647.A N GLU 643.A O no hydrogen 2.990 N/A VAL 648.A N THR 644.A O no hydrogen 2.873 N/A LEU 649.A N ALA 645.A O no hydrogen 2.869 N/A