Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ua4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASN 1.A O no hydrogen 3.167 N/A TRP 8.A N PHE 37.A O no hydrogen 3.104 N/A TRP 8.A NE1 ASP 14.A OD1 no hydrogen 2.906 N/A MET 9.A N LEU 260.A O no hydrogen 3.261 N/A ALA 10.A N VAL 39.A O no hydrogen 2.968 N/A THR 11.A N ASP 14.A OD2 no hydrogen 3.203 N/A THR 11.A OG1 ASP 14.A OD1 no hydrogen 3.464 N/A ASN 18.A N GLU 17.A OE1 no hydrogen 3.095 N/A ARG 21.A N ASN 18.A O no hydrogen 2.765 N/A ARG 21.A NH2 ASP 64.A OD1 no hydrogen 3.343 N/A HIS 22.A N ASN 18.A O no hydrogen 3.054 N/A VAL 23.A N GLN 69.A OE1 no hydrogen 2.855 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.148 N/A PHE 26.A N HIS 22.A O no hydrogen 3.242 N/A CYS 27.A N VAL 23.A O no hydrogen 2.899 N/A CYS 27.A SG VAL 23.A O no hydrogen 3.122 N/A THR 28.A N ALA 24.A O no hydrogen 2.913 N/A THR 28.A OG1 ALA 24.A O no hydrogen 2.903 N/A ARG 29.A N THR 25.A O no hydrogen 2.914 N/A LEU 30.A N PHE 26.A O no hydrogen 2.915 N/A GLY 31.A N CYS 27.A O no hydrogen 2.897 N/A GLU 32.A N THR 28.A O no hydrogen 2.878 N/A PHE 33.A N ARG 29.A O no hydrogen 2.966 N/A PHE 37.A N ASN 36.A OD1 no hydrogen 3.285 N/A VAL 38.A N TYR 78.A O no hydrogen 3.286 N/A VAL 39.A N TRP 8.A O no hydrogen 3.146 N/A TYR 40.A N VAL 80.A O no hydrogen 3.136 N/A TYR 40.A OH ASP 20.A OD1 no hydrogen 2.641 N/A ILE 42.A N LYS 82.A O no hydrogen 3.074 N/A GLY 44.A N PRO 41.A O no hydrogen 3.022 N/A VAL 45.A N ASP 20.A OD1 no hydrogen 2.822 N/A ARG 47.A N GLY 44.A O no hydrogen 3.006 N/A ARG 47.A NE GLU 107.A OE2 no hydrogen 2.991 N/A ARG 47.A NH1 PRO 61.A O no hydrogen 2.774 N/A ARG 47.A NH2 HIS 103.A ND1 no hydrogen 2.696 N/A ALA 48.A N GLY 44.A O no hydrogen 2.668 N/A PHE 49.A N VAL 45.A O no hydrogen 3.277 N/A TRP 50.A N ARG 47.A O no hydrogen 3.132 N/A TRP 50.A NE1 ASN 58.A OD1 no hydrogen 3.306 N/A GLY 54.A N PRO 52.A O no hydrogen 2.864 N/A GLU 57.A N SER 55.A OG no hydrogen 3.282 N/A ASN 58.A N SER 55.A O no hydrogen 3.035 N/A HIS 59.A ND1 GLU 57.A O no hydrogen 3.048 N/A ASP 64.A N GLY 43.A O no hydrogen 2.875 N/A ASP 67.A N ASP 67.A OD1 no hydrogen 2.452 N/A GLN 69.A NE2 ASP 20.A O no hydrogen 2.579 N/A GLN 69.A NE2 PRO 66.A O no hydrogen 2.975 N/A LEU 70.A N ASP 67.A O no hydrogen 2.848 N/A LEU 74.A N ARG 71.A O no hydrogen 3.069 N/A TRP 75.A N ARG 71.A O no hydrogen 3.434 N/A TRP 75.A NE1 ASP 67.A O no hydrogen 2.947 N/A GLU 76.A N ASN 72.A O no hydrogen 2.946 N/A SER 77.A N ASP 73.A O no hydrogen 2.943 N/A SER 77.A OG ASP 73.A O no hydrogen 3.327 N/A TYR 78.A N LEU 74.A O no hydrogen 2.950 N/A VAL 80.A N VAL 38.A O no hydrogen 2.663 N/A GLY 81.A N THR 118.A O no hydrogen 3.312 N/A LYS 82.A N TYR 40.A O no hydrogen 3.100 N/A ILE 83.A N ALA 120.A O no hydrogen 3.193 N/A SER 84.A N GLU 107.A OE1 no hydrogen 2.873 N/A SER 84.A OG GLU 107.A OE1 no hydrogen 3.477 N/A SER 84.A OG GLU 107.A OE2 no hydrogen 2.511 N/A TRP 86.A NE1 ARG 47.A O no hydrogen 2.840 N/A ILE 87.A N SER 84.A O no hydrogen 3.062 N/A ASP 88.A N SER 100.A OG no hydrogen 3.015 N/A ASP 90.A N ASP 88.A OD2 no hydrogen 3.223 N/A SER 91.A N ASP 88.A O no hydrogen 2.858 N/A SER 91.A OG ASP 93.A O no hydrogen 3.325 N/A ASP 93.A N SER 91.A OG no hydrogen 2.948 N/A ALA 95.A N ASP 93.A OD1 no hydrogen 3.316 N/A ALA 97.A N ASP 93.A O no hydrogen 3.047 N/A SER 98.A N PRO 94.A O no hydrogen 2.924 N/A SER 98.A OG PRO 94.A O no hydrogen 3.224 N/A LEU 99.A N ALA 95.A O no hydrogen 2.908 N/A SER 100.A N PHE 96.A O no hydrogen 2.896 N/A SER 100.A OG PHE 96.A O no hydrogen 2.603 N/A GLU 101.A N ALA 97.A O no hydrogen 2.882 N/A GLU 102.A N SER 98.A O no hydrogen 2.971 N/A HIS 103.A N LEU 99.A O no hydrogen 2.905 N/A LEU 104.A N SER 100.A O no hydrogen 2.821 N/A LEU 105.A N GLU 101.A O no hydrogen 2.911 N/A LYS 106.A N GLU 102.A O no hydrogen 2.973 N/A GLU 107.A N HIS 103.A O no hydrogen 2.926 N/A LEU 108.A N LEU 104.A O no hydrogen 2.925 N/A SER 109.A N LEU 105.A O no hydrogen 2.927 N/A TYR 110.A N LYS 106.A O no hydrogen 2.946 N/A TYR 110.A OH LEU 65.A O no hydrogen 2.610 N/A ILE 111.A N GLU 107.A O no hydrogen 2.920 N/A CYS 112.A N LEU 108.A O no hydrogen 2.994 N/A TYR 113.A N SER 109.A O no hydrogen 2.961 N/A TYR 113.A OH THR 364.A OG1 no hydrogen 2.703 N/A LEU 114.A N TYR 110.A O no hydrogen 2.917 N/A GLY 115.A N ILE 111.A O no hydrogen 3.084 N/A GLN 117.A NE2 GLU 76.A OE2 no hydrogen 3.248 N/A MET 119.A N THR 147.A O no hydrogen 3.123 N/A ALA 120.A N GLY 81.A O no hydrogen 2.649 N/A ILE 121.A N TRP 149.A O no hydrogen 2.858 N/A LEU 123.A N GLN 151.A O no hydrogen 3.003 N/A ARG 125.A NE ASP 88.A OD2 no hydrogen 3.150 N/A ARG 125.A NH2 ASP 88.A OD1 no hydrogen 2.791 N/A ILE 126.A N ASP 161.A OD1 no hydrogen 3.207 N/A ILE 126.A N ASP 161.A OD2 no hydrogen 2.778 N/A SER 127.A N ASP 161.A OD1 no hydrogen 3.238 N/A ARG 130.A N ASP 90.A OD1 no hydrogen 2.810 N/A ARG 130.A NE GLU 101.A OE2 no hydrogen 2.607 N/A ARG 130.A NH2 GLU 101.A OE2 no hydrogen 2.616 N/A THR 131.A N ASP 90.A OD2 no hydrogen 3.069 N/A THR 131.A OG1 ASP 90.A OD2 no hydrogen 2.749 N/A ALA 132.A N SER 128.A O no hydrogen 2.786 N/A ALA 133.A N PRO 129.A O no hydrogen 2.864 N/A ILE 134.A N ARG 130.A O no hydrogen 2.964 N/A LEU 135.A N THR 131.A O no hydrogen 2.913 N/A LYS 136.A N ALA 132.A O no hydrogen 2.820 N/A LYS 136.A NZ GLU 480.A O no hydrogen 2.917 N/A LYS 137.A N ALA 133.A O no hydrogen 3.032 N/A TRP 138.A N ILE 134.A O no hydrogen 2.939 N/A ILE 139.A N LEU 135.A O no hydrogen 2.942 N/A TRP 140.A N LYS 136.A O no hydrogen 2.958 N/A TRP 140.A NE1 CYS 183.A O no hydrogen 2.689 N/A THR 141.A N LYS 137.A O no hydrogen 2.996 N/A THR 141.A N TRP 138.A O no hydrogen 2.818 N/A THR 141.A OG1 LYS 137.A O no hydrogen 2.819 N/A THR 141.A OG1 TRP 138.A O no hydrogen 3.085 N/A ARG 142.A NH2 THR 141.A OG1 no hydrogen 3.384 N/A ARG 145.A NE SER 144.A O no hydrogen 3.177 N/A THR 147.A N GLN 117.A O no hydrogen 3.179 N/A VAL 148.A N TYR 190.A O no hydrogen 2.859 N/A TRP 149.A N MET 119.A O no hydrogen 2.568 N/A VAL 150.A N GLN 192.A O no hydrogen 2.915 N/A GLN 151.A N ILE 121.A O no hydrogen 3.158 N/A GLN 151.A NE2 THR 196.A OG1 no hydrogen 3.014 N/A LEU 152.A N ALA 194.A O no hydrogen 2.958 N/A LYS 158.A N ALA 155.A O no hydrogen 3.288 N/A CYS 159.A N ILE 156.A O no hydrogen 2.915 N/A LYS 160.A N THR 124.A O no hydrogen 2.901 N/A LYS 160.A NZ ASP 88.A OD1 no hydrogen 3.500 N/A TYR 162.A N CYS 159.A O no hydrogen 2.918 N/A THR 166.A N ASP 163.A O no hydrogen 2.952 N/A THR 166.A OG1 ASP 163.A O no hydrogen 3.283 N/A THR 166.A OG1 ASP 163.A OD2 no hydrogen 3.313 N/A GLU 168.A N THR 166.A O no hydrogen 2.657 N/A LEU 172.A N GLU 204.A OE2 no hydrogen 2.795 N/A TRP 173.A NE1 GLU 217.A OE1 no hydrogen 2.899 N/A THR 174.A N ASP 171.A OD1 no hydrogen 2.590 N/A ILE 175.A N ASP 171.A O no hydrogen 3.065 N/A TRP 176.A N LEU 172.A O no hydrogen 2.973 N/A TRP 176.A NE1 GLU 217.A OE2 no hydrogen 2.709 N/A ALA 177.A N TRP 173.A O no hydrogen 2.815 N/A ASP 178.A N THR 174.A O no hydrogen 2.890 N/A PHE 179.A N ILE 175.A O no hydrogen 2.951 N/A ARG 180.A N TRP 176.A O no hydrogen 2.875 N/A ARG 180.A NH1 ASN 185.A OD1 no hydrogen 2.954 N/A ARG 180.A NH2 GLU 217.A OE1 no hydrogen 3.326 N/A LYS 181.A N ALA 177.A O no hydrogen 2.927 N/A ASN 182.A N ASP 178.A O no hydrogen 2.893 N/A CYS 183.A N PHE 179.A O no hydrogen 2.941 N/A CYS 183.A SG ALA 132.A O no hydrogen 3.993 N/A CYS 183.A SG PHE 179.A O no hydrogen 3.482 N/A GLY 184.A N LYS 181.A O no hydrogen 2.688 N/A ASN 185.A N ARG 180.A O no hydrogen 3.016 N/A VAL 189.A N SER 187.A OG no hydrogen 3.059 N/A TYR 190.A N SER 187.A O no hydrogen 2.732 N/A PHE 191.A N SER 187.A O no hydrogen 2.750 N/A GLN 192.A N VAL 148.A O no hydrogen 2.898 N/A GLN 192.A NE2 GLY 188.A O no hydrogen 3.331 N/A VAL 193.A N PRO 218.A O no hydrogen 2.829 N/A ALA 194.A N VAL 150.A O no hydrogen 2.863 N/A LEU 195.A N ALA 221.A O no hydrogen 2.888 N/A THR 196.A OG1 LEU 152.A O no hydrogen 2.838 N/A ILE 197.A N VAL 223.A O no hydrogen 2.954 N/A LEU 205.A N PRO 202.A O no hydrogen 3.152 N/A THR 206.A N ASP 203.A O no hydrogen 2.866 N/A THR 206.A OG1 ASP 203.A O no hydrogen 3.038 N/A GLU 207.A N ASP 203.A O no hydrogen 2.800 N/A LYS 209.A NZ GLU 207.A OE1 no hydrogen 3.349 N/A LEU 210.A N GLU 207.A O no hydrogen 2.713 N/A ASP 212.A N LEU 208.A O no hydrogen 3.005 N/A ARG 213.A N LEU 210.A O no hydrogen 3.128 N/A ARG 213.A NH1 GLU 204.A OE1 no hydrogen 3.171 N/A ARG 213.A NH1 LEU 210.A O no hydrogen 3.468 N/A ARG 213.A NH2 ASP 171.A OD1 no hydrogen 3.290 N/A ARG 213.A NH2 ASP 171.A OD2 no hydrogen 2.867 N/A LYS 215.A N ASP 212.A O no hydrogen 3.026 N/A LYS 215.A NZ ASP 212.A OD1 no hydrogen 3.316 N/A ALA 216.A N ARG 213.A O no hydrogen 2.748 N/A LEU 219.A N GLU 217.A O no hydrogen 2.631 N/A ALA 220.A N VAL 193.A O no hydrogen 2.886 N/A PHE 222.A N ARG 257.A O no hydrogen 3.405 N/A VAL 223.A N LEU 195.A O no hydrogen 2.571 N/A ILE 224.A N VAL 259.A O no hydrogen 2.788 N/A GLU 225.A N ILE 197.A O no hydrogen 3.288 N/A SER 226.A N ARG 261.A O no hydrogen 2.832 N/A SER 226.A OG ARG 261.A O no hydrogen 3.087 N/A SER 226.A OG THR 263.A OG1 no hydrogen 3.332 N/A LEU 228.A N SER 226.A O no hydrogen 2.722 N/A ARG 233.A NH1 GLU 236.A OE1 no hydrogen 2.897 N/A GLU 236.A N GLY 232.A O no hydrogen 2.615 N/A SER 238.A N PHE 229.A O no hydrogen 3.419 N/A HIS 243.A NE2 SER 199.A O no hydrogen 3.237 N/A ILE 244.A N PRO 240.A O no hydrogen 2.941 N/A ASN 245.A N SER 241.A O no hydrogen 2.892 N/A ASN 245.A ND2 SER 241.A O no hydrogen 2.536 N/A LEU 246.A N ALA 242.A O no hydrogen 2.908 N/A LEU 247.A N HIS 243.A O no hydrogen 2.934 N/A LYS 248.A N ILE 244.A O no hydrogen 2.856 N/A HIS 249.A N ASN 245.A O no hydrogen 2.920 N/A LEU 250.A N LEU 246.A O no hydrogen 2.932 N/A LEU 250.A N LEU 247.A O no hydrogen 3.169 N/A TRP 251.A N LYS 248.A O no hydrogen 3.437 N/A ALA 255.A N THR 253.A OG1 no hydrogen 3.281 N/A LEU 256.A N THR 253.A O no hydrogen 3.305 N/A ILE 258.A N HIS 5.A O no hydrogen 3.436 N/A VAL 259.A N PHE 222.A O no hydrogen 3.016 N/A LEU 260.A N GLY 7.A O no hydrogen 2.898 N/A ARG 261.A N ILE 224.A O no hydrogen 2.521 N/A THR 263.A N SER 226.A OG no hydrogen 2.759 N/A THR 263.A OG1 SER 226.A OG no hydrogen 3.332 N/A LYS 268.A N THR 266.A OG1 no hydrogen 2.587 N/A THR 271.A N PHE 267.A O no hydrogen 2.828 N/A SER 275.A OG SER 272.A O no hydrogen 3.277 N/A TYR 277.A N ILE 273.A O no hydrogen 2.885 N/A SER 278.A N LYS 274.A O no hydrogen 2.929 N/A SER 278.A OG PHE 33.A O no hydrogen 3.239 N/A SER 278.A OG LYS 34.A O no hydrogen 3.466 N/A SER 278.A OG LYS 274.A O no hydrogen 2.854 N/A GLN 279.A N SER 275.A O no hydrogen 2.933 N/A ALA 280.A N GLU 276.A O no hydrogen 2.929 N/A LEU 281.A N TYR 277.A O no hydrogen 2.892 N/A ARG 282.A N SER 278.A O no hydrogen 2.893 N/A ARG 282.A NE ILE 4.A O no hydrogen 3.201 N/A ARG 282.A NH1 LYS 34.A O no hydrogen 2.832 N/A ARG 282.A NH2 ILE 4.A O no hydrogen 3.346 N/A ARG 282.A NH2 LYS 34.A O no hydrogen 3.497 N/A HIS 283.A N GLN 279.A O no hydrogen 2.962 N/A ALA 284.A N LEU 281.A O no hydrogen 3.192 N/A LYS 291.A N ASP 288.A OD2 no hydrogen 3.186 N/A LYS 291.A NZ SER 575.A OG no hydrogen 2.900 N/A ASP 293.A N GLN 289.A O no hydrogen 2.872 N/A VAL 294.A N ILE 290.A O no hydrogen 2.921 N/A TYR 295.A N LYS 291.A O no hydrogen 2.973 N/A TYR 295.A OH SER 404.A O no hydrogen 2.407 N/A GLY 296.A N TYR 292.A O no hydrogen 2.899 N/A GLU 297.A N ASP 293.A O no hydrogen 2.919 N/A ALA 298.A N VAL 294.A O no hydrogen 2.954 N/A VAL 299.A N TYR 295.A O no hydrogen 2.898 N/A VAL 300.A N GLY 296.A O no hydrogen 2.912 N/A GLY 301.A N GLU 297.A O no hydrogen 2.960 N/A ALA 302.A N ALA 298.A O no hydrogen 2.942 N/A LEU 303.A N VAL 299.A O no hydrogen 2.854 N/A LYS 304.A N GLY 301.A O no hydrogen 2.794 N/A ASP 305.A N GLY 301.A O no hydrogen 2.935 N/A GLY 307.A N LEU 303.A O no hydrogen 2.868 N/A ASP 309.A N LEU 306.A O no hydrogen 3.054 N/A GLY 310.A N GLY 307.A O no hydrogen 2.747 N/A THR 313.A OG1 LYS 349.A O no hydrogen 3.446 N/A VAL 314.A N LYS 349.A O no hydrogen 2.910 N/A VAL 315.A N ASP 400.A OD2 no hydrogen 3.063 N/A ILE 316.A N LYS 351.A O no hydrogen 2.883 N/A TYR 317.A N ILE 401.A O no hydrogen 2.964 N/A LEU 318.A N TYR 353.A O no hydrogen 2.877 N/A LEU 319.A N VAL 403.A O no hydrogen 2.709 N/A GLY 320.A N VAL 355.A O no hydrogen 2.815 N/A GLY 322.A N GLU 356.A OE2 no hydrogen 3.001 N/A THR 328.A OG1 PRO 325.A O no hydrogen 2.729 N/A LYS 329.A N PRO 325.A O no hydrogen 2.929 N/A LYS 329.A NZ ASP 293.A OD1 no hydrogen 3.276 N/A ILE 330.A N ILE 326.A O no hydrogen 2.878 N/A LEU 331.A N GLY 327.A O no hydrogen 2.956 N/A LYS 332.A N THR 328.A O no hydrogen 2.939 N/A SER 333.A N LYS 329.A O no hydrogen 2.892 N/A SER 333.A OG GLY 296.A O no hydrogen 3.156 N/A SER 333.A OG LYS 329.A O no hydrogen 3.159 N/A GLU 334.A N ILE 330.A O no hydrogen 2.929 N/A ARG 335.A N LEU 331.A O no hydrogen 2.951 N/A GLU 336.A N LYS 332.A O no hydrogen 2.935 N/A TYR 337.A N SER 333.A O no hydrogen 2.920 N/A ASN 338.A N GLU 334.A O no hydrogen 2.922 N/A ASN 338.A ND2 LEU 348.A O no hydrogen 2.664 N/A ASN 339.A N ARG 335.A O no hydrogen 2.892 N/A THR 340.A N GLU 336.A O no hydrogen 2.978 N/A THR 340.A N TYR 337.A O no hydrogen 3.218 N/A THR 340.A OG1 GLU 336.A O no hydrogen 2.858 N/A PHE 341.A N TYR 337.A O no hydrogen 2.885 N/A ARG 342.A N ASN 338.A O no hydrogen 3.306 N/A ARG 342.A NH1 ARG 311.A O no hydrogen 2.692 N/A ARG 342.A NH2 TYR 337.A OH no hydrogen 2.828 N/A GLN 343.A NE2 ASN 339.A O no hydrogen 2.938 N/A GLN 345.A N ARG 342.A O no hydrogen 3.143 N/A GLN 345.A NE2 PHE 341.A O no hydrogen 3.559 N/A LEU 348.A N ASN 338.A OD1 no hydrogen 3.030 N/A LYS 349.A N LYS 312.A O no hydrogen 2.566 N/A VAL 350.A N GLU 334.A OE2 no hydrogen 3.060 N/A LYS 351.A N VAL 314.A O no hydrogen 2.917 N/A LYS 351.A NZ TYR 353.A OH no hydrogen 3.175 N/A TYR 353.A N ILE 316.A O no hydrogen 2.910 N/A ILE 354.A N THR 378.A O no hydrogen 2.941 N/A VAL 355.A N LEU 318.A O no hydrogen 2.896 N/A GLU 356.A N ILE 380.A O no hydrogen 2.951 N/A LYS 357.A N GLU 356.A OE1 no hydrogen 2.781 N/A ALA 361.A N ASN 358.A OD1 no hydrogen 2.713 N/A ILE 362.A N ASN 358.A O no hydrogen 3.072 N/A VAL 363.A N PRO 359.A O no hydrogen 2.927 N/A THR 364.A N ASN 360.A O no hydrogen 2.996 N/A THR 364.A OG1 ASP 67.A OD1 no hydrogen 2.473 N/A THR 364.A OG1 ASP 67.A OD2 no hydrogen 3.085 N/A THR 364.A OG1 TYR 113.A OH no hydrogen 2.703 N/A THR 364.A OG1 ASN 360.A O no hydrogen 3.473 N/A LEU 365.A N ALA 361.A O no hydrogen 2.849 N/A LYS 366.A N ILE 362.A O no hydrogen 2.925 N/A MET 368.A N THR 364.A O no hydrogen 2.935 N/A ASN 369.A N LEU 365.A O no hydrogen 2.875 N/A ASN 369.A ND2 VAL 377.A O no hydrogen 3.106 N/A VAL 370.A N LYS 366.A O no hydrogen 2.906 N/A VAL 370.A N TYR 367.A O no hydrogen 3.136 N/A ARG 371.A N TYR 367.A O no hydrogen 2.924 N/A THR 372.A N MET 368.A O no hydrogen 2.975 N/A TRP 373.A N MET 368.A O no hydrogen 3.066 N/A ARG 375.A N ASN 369.A O no hydrogen 2.598 N/A ARG 376.A N TRP 373.A O no hydrogen 3.286 N/A ARG 376.A NH2 VAL 350.A O no hydrogen 3.033 N/A VAL 377.A N ASN 369.A OD1 no hydrogen 3.314 N/A THR 378.A N LEU 352.A O no hydrogen 3.117 N/A ILE 380.A N ILE 354.A O no hydrogen 2.897 N/A SER 382.A N GLU 356.A O no hydrogen 2.908 N/A SER 382.A OG ASP 383.A O no hydrogen 2.963 N/A SER 386.A N ASP 383.A O no hydrogen 2.680 N/A LEU 387.A N MET 384.A O no hydrogen 2.898 N/A ALA 391.A N LEU 387.A O no hydrogen 2.814 N/A ASP 393.A N GLY 389.A O no hydrogen 3.049 N/A ARG 394.A N ILE 390.A O no hydrogen 2.990 N/A PHE 396.A N ALA 391.A O no hydrogen 2.781 N/A ASP 400.A N VAL 315.A O no hydrogen 2.827 N/A ILE 401.A N VAL 315.A O no hydrogen 3.376 N/A ILE 402.A N ILE 432.A O no hydrogen 3.390 N/A VAL 403.A N TYR 317.A O no hydrogen 2.692 N/A SER 404.A N ILE 434.A O no hydrogen 2.846 N/A LEU 407.A N GLU 405.A OE2 no hydrogen 3.458 N/A GLY 408.A N GLY 411.A O no hydrogen 3.041 N/A SER 409.A OG PHE 577.A O no hydrogen 2.428 N/A PHE 410.A N ASN 413.A OD1 no hydrogen 3.016 N/A GLY 411.A N GLY 408.A O no hydrogen 2.736 N/A ASP 412.A N PHE 410.A O no hydrogen 2.962 N/A LEU 415.A N ASP 412.A O no hydrogen 3.246 N/A SER 416.A OG TYR 438.A OH no hydrogen 2.636 N/A GLU 418.A N LEU 415.A O no hydrogen 3.105 N/A CYS 419.A N LEU 415.A O no hydrogen 3.199 N/A CYS 419.A SG LEU 415.A O no hydrogen 3.785 N/A LEU 420.A N SER 416.A O no hydrogen 2.917 N/A ASP 421.A N PRO 417.A O no hydrogen 2.883 N/A GLY 422.A N GLU 418.A O no hydrogen 2.967 N/A GLY 422.A N CYS 419.A O no hydrogen 3.254 N/A VAL 423.A N LEU 420.A O no hydrogen 3.269 N/A LEU 427.A N THR 424.A O no hydrogen 3.397 N/A LYS 428.A NZ ASP 400.A OD1 no hydrogen 2.998 N/A THR 431.A N LYS 428.A O no hydrogen 2.901 N/A THR 431.A OG1 PRO 399.A O no hydrogen 3.071 N/A THR 431.A OG1 LYS 428.A O no hydrogen 2.972 N/A SER 433.A OG PRO 435.A O no hydrogen 3.353 N/A ILE 434.A N ILE 402.A O no hydrogen 3.187 N/A GLN 436.A N GLN 555.A O no hydrogen 2.841 N/A GLN 436.A N LEU 556.A O no hydrogen 2.977 N/A LYS 437.A N GLN 555.A O no hydrogen 3.145 N/A TYR 438.A N PHE 519.A O no hydrogen 2.947 N/A TYR 438.A OH SER 416.A OG no hydrogen 2.636 N/A TYR 438.A OH HIS 521.A NE2 no hydrogen 3.258 N/A THR 439.A N ASP 553.A O no hydrogen 2.904 N/A SER 440.A N PHE 517.A O no hydrogen 2.855 N/A SER 440.A OG PHE 410.A O no hydrogen 3.101 N/A SER 440.A OG TYR 551.A O no hydrogen 3.418 N/A TYR 441.A N TYR 551.A O no hydrogen 2.893 N/A VAL 442.A N LYS 514.A O no hydrogen 3.044 N/A LYS 443.A N ALA 549.A O no hydrogen 2.920 N/A ILE 445.A N GLY 547.A O no hydrogen 2.932 N/A MET 446.A N ILE 507.A O no hydrogen 2.739 N/A SER 447.A OG LYS 505.A O no hydrogen 2.485 N/A HIS 449.A N SER 447.A OG no hydrogen 3.121 N/A ILE 450.A N SER 447.A OG no hydrogen 3.269 N/A HIS 451.A N SER 447.A O no hydrogen 3.424 N/A HIS 451.A NE2 LEU 583.A O no hydrogen 3.040 N/A HIS 451.A NE2 ARG 584.A O no hydrogen 3.140 N/A GLN 452.A N THR 448.A O no hydrogen 2.868 N/A THR 453.A N HIS 449.A O no hydrogen 2.884 N/A THR 453.A OG1 HIS 449.A O no hydrogen 3.202 N/A ILE 454.A N ILE 450.A O no hydrogen 2.900 N/A LYS 455.A N HIS 451.A O no hydrogen 2.913 N/A LYS 455.A NZ ARG 584.A O no hydrogen 3.006 N/A ALA 456.A N GLN 452.A O no hydrogen 3.178 N/A SER 458.A OG ALA 456.A O no hydrogen 3.488 N/A SER 463.A N PRO 460.A O no hydrogen 2.709 N/A ARG 464.A N TYR 461.A O no hydrogen 3.167 N/A ARG 464.A NH2 ASP 477.A OD2 no hydrogen 3.009 N/A ILE 466.A N SER 463.A O no hydrogen 3.232 N/A SER 468.A N GLN 484.A OE1 no hydrogen 2.713 N/A SER 468.A OG GLY 472.A O no hydrogen 2.933 N/A GLY 470.A N SER 468.A OG no hydrogen 3.318 N/A ARG 471.A NE ASN 632.A O no hydrogen 3.115 N/A ARG 471.A NH2 ASP 604.A OD2 no hydrogen 2.802 N/A GLU 475.A N ILE 483.A O no hydrogen 2.876 N/A ASP 477.A N MET 481.A O no hydrogen 2.881 N/A GLU 480.A N ASP 477.A O no hydrogen 3.089 N/A MET 481.A N ASP 477.A OD1 no hydrogen 2.918 N/A ILE 483.A N GLU 475.A O no hydrogen 2.731 N/A GLN 484.A N ARG 464.A O no hydrogen 2.812 N/A GLN 484.A NE2 LYS 485.A O no hydrogen 3.330 N/A LYS 485.A NZ GLU 475.A OE1 no hydrogen 3.439 N/A GLN 488.A N GLN 488.A OE1 no hydrogen 2.680 N/A GLN 488.A NE2 SER 635.A OG no hydrogen 3.111 N/A GLY 489.A N TYR 486.A O no hydrogen 3.057 N/A ASN 493.A N GLY 489.A O no hydrogen 3.026 N/A ASN 494.A N HIS 490.A O no hydrogen 2.845 N/A ASN 494.A ND2 LYS 455.A O no hydrogen 2.808 N/A ASN 494.A ND2 GLN 457.A O no hydrogen 3.032 N/A MET 495.A N VAL 491.A O no hydrogen 2.927 N/A MET 495.A N ARG 492.A O no hydrogen 2.823 N/A ASP 496.A N ARG 492.A O no hydrogen 3.060 N/A GLN 497.A NE2 ASN 493.A O no hydrogen 3.024 N/A TYR 499.A N VAL 580.A O no hydrogen 2.951 N/A TYR 499.A OH GLN 457.A OE1 no hydrogen 3.250 N/A TYR 499.A OH ASN 494.A O no hydrogen 2.429 N/A VAL 501.A N PRO 578.A O no hydrogen 3.024 N/A LEU 509.A N PRO 444.A O no hydrogen 2.893 N/A THR 513.A OG1 GLU 565.A OE1 no hydrogen 2.612 N/A LYS 514.A N VAL 442.A O no hydrogen 2.991 N/A LYS 514.A NZ GLU 536.A O no hydrogen 2.958 N/A VAL 516.A N SER 440.A O no hydrogen 2.634 N/A PHE 517.A N SER 440.A O no hydrogen 2.984 N/A PHE 519.A N TYR 438.A O no hydrogen 2.880 N/A GLU 520.A N GLU 520.A OE2 no hydrogen 3.097 N/A HIS 521.A N GLN 436.A O no hydrogen 2.694 N/A HIS 521.A NE2 TYR 438.A OH no hydrogen 3.258 N/A ASN 523.A ND2 ASP 421.A OD1 no hydrogen 3.562 N/A ASN 523.A ND2 SER 527.A O no hydrogen 3.462 N/A ASN 523.A ND2 SER 527.A OG no hydrogen 3.261 N/A ASN 523.A ND2 ASN 529.A OD1 no hydrogen 3.663 N/A ASN 526.A N ASN 523.A O no hydrogen 2.985 N/A SER 527.A N ASN 523.A OD1 no hydrogen 3.022 N/A SER 527.A OG ASN 523.A OD1 no hydrogen 3.352 N/A ASN 529.A ND2 GLU 418.A OE2 no hydrogen 3.476 N/A ASN 529.A ND2 ASP 421.A OD2 no hydrogen 2.914 N/A ARG 531.A N ARG 601.A O no hydrogen 2.932 N/A ARG 531.A NE SER 528.A O no hydrogen 3.256 N/A ARG 531.A NH1 THR 518.A O no hydrogen 3.557 N/A ARG 531.A NH2 THR 518.A O no hydrogen 2.584 N/A SER 532.A OG ASP 600.A OD2 no hydrogen 3.082 N/A ASP 533.A N ILE 599.A O no hydrogen 2.951 N/A ILE 535.A N LEU 597.A O no hydrogen 2.919 N/A PHE 537.A N ILE 595.A O no hydrogen 2.882 N/A MET 539.A N ASP 593.A O no hydrogen 2.993 N/A ALA 543.A N VAL 589.A O no hydrogen 2.917 N/A LEU 545.A N LEU 587.A O no hydrogen 2.659 N/A MET 546.A N ILE 445.A O no hydrogen 3.358 N/A PHE 548.A N ILE 581.A O no hydrogen 2.952 N/A ALA 549.A N LYS 443.A O no hydrogen 2.880 N/A GLY 550.A N ALA 579.A O no hydrogen 2.891 N/A TYR 551.A N TYR 441.A O no hydrogen 2.903 N/A ASP 553.A N THR 439.A O no hydrogen 2.912 N/A LEU 554.A N LEU 562.A O no hydrogen 2.923 N/A GLN 555.A N LYS 437.A O no hydrogen 2.714 N/A TYR 557.A N VAL 560.A O no hydrogen 3.147 N/A LYS 558.A N GLN 436.A OE1 no hydrogen 2.763 N/A LYS 558.A NZ ASP 305.A OD2 no hydrogen 2.739 N/A LEU 562.A N LEU 554.A O no hydrogen 2.942 N/A SER 563.A N THR 570.A OG1 no hydrogen 3.209 N/A SER 563.A OG THR 568.A O no hydrogen 2.909 N/A SER 563.A OG THR 568.A OG1 no hydrogen 3.318 N/A ILE 564.A N PHE 552.A O no hydrogen 3.099 N/A GLU 565.A N SER 563.A OG no hydrogen 3.253 N/A THR 568.A N GLU 565.A O no hydrogen 3.002 N/A THR 568.A OG1 SER 563.A OG no hydrogen 3.318 N/A THR 570.A N SER 563.A O no hydrogen 3.118 N/A THR 570.A OG1 SER 563.A O no hydrogen 3.561 N/A MET 573.A N THR 570.A O no hydrogen 3.149 N/A VAL 574.A N ASP 288.A OD1 no hydrogen 3.193 N/A TRP 576.A NE1 LEU 407.A O no hydrogen 2.991 N/A ALA 579.A N GLY 550.A O no hydrogen 2.911 N/A VAL 580.A N TYR 499.A O no hydrogen 2.852 N/A ILE 581.A N PHE 548.A O no hydrogen 2.877 N/A LEU 583.A N MET 546.A O no hydrogen 2.982 N/A ARG 584.A NE ASP 496.A OD1 no hydrogen 3.351 N/A ARG 584.A NH2 ASP 496.A OD2 no hydrogen 3.483 N/A LEU 587.A N LEU 545.A O no hydrogen 2.817 N/A ARG 588.A NH2 ASP 544.A OD2 no hydrogen 3.499 N/A VAL 589.A N ALA 543.A O no hydrogen 2.878 N/A GLY 592.A N MET 539.A O no hydrogen 2.765 N/A ASP 593.A N GLY 590.A O no hydrogen 3.352 N/A ARG 594.A N LYS 617.A O no hydrogen 2.873 N/A ILE 595.A N PHE 537.A O no hydrogen 2.929 N/A SER 596.A N GLU 615.A O no hydrogen 2.872 N/A LEU 597.A N ILE 535.A O no hydrogen 2.897 N/A LYS 598.A N HIS 613.A O no hydrogen 2.916 N/A LYS 598.A NZ SER 534.A OG no hydrogen 2.915 N/A ILE 599.A N ASP 533.A O no hydrogen 2.965 N/A ASP 600.A N GLU 611.A O no hydrogen 2.930 N/A ARG 601.A N ARG 531.A O no hydrogen 2.933 N/A ARG 601.A NE ASP 412.A OD1 no hydrogen 3.085 N/A ARG 601.A NH1 GLU 418.A OE2 no hydrogen 2.990 N/A ARG 601.A NH2 ASP 412.A O no hydrogen 3.023 N/A ARG 601.A NH2 GLU 418.A OE1 no hydrogen 3.320 N/A ARG 601.A NH2 GLU 418.A OE2 no hydrogen 3.403 N/A LYS 602.A N TRP 609.A O no hydrogen 2.902 N/A ASP 604.A N GLY 607.A O no hydrogen 2.683 N/A THR 606.A N ASP 604.A OD1 no hydrogen 3.078 N/A THR 606.A OG1 ASP 604.A OD1 no hydrogen 2.781 N/A THR 606.A OG1 TYR 637.A OH no hydrogen 2.483 N/A VAL 608.A N MET 638.A O no hydrogen 2.639 N/A TRP 609.A N LYS 602.A O no hydrogen 2.970 N/A TRP 609.A NE1 GLU 611.A OE2 no hydrogen 2.941 N/A TYR 610.A OH ASP 412.A OD1 no hydrogen 2.717 N/A GLU 611.A N ASP 600.A O no hydrogen 2.963 N/A TRP 612.A N GLN 629.A O no hydrogen 3.354 N/A TRP 612.A NE1 PRO 582.A O no hydrogen 3.057 N/A HIS 613.A N LYS 598.A O no hydrogen 2.940 N/A VAL 614.A N THR 626.A OG1 no hydrogen 3.085 N/A GLU 615.A N SER 596.A O no hydrogen 2.907 N/A LYS 616.A N VAL 624.A O no hydrogen 2.886 N/A LYS 616.A NZ ARG 588.A O no hydrogen 2.975 N/A LYS 617.A N ARG 594.A O no hydrogen 2.921 N/A LYS 618.A N GLU 622.A O no hydrogen 3.294 N/A LYS 618.A NZ ASN 620.A OD1 no hydrogen 3.185 N/A ASN 620.A N ASN 620.A OD1 no hydrogen 2.443 N/A GLY 621.A N LYS 618.A O no hydrogen 3.266 N/A SER 623.A OG LYS 616.A O no hydrogen 3.109 N/A VAL 624.A N LYS 616.A O no hydrogen 2.881 N/A THR 626.A N VAL 614.A O no hydrogen 2.917 N/A GLN 629.A N TRP 612.A O no hydrogen 2.866 N/A GLN 629.A NE2 PRO 582.A O no hydrogen 2.904 N/A ASN 630.A ND2 TYR 610.A O no hydrogen 2.618 N/A ASN 630.A ND2 TYR 636.A O no hydrogen 2.934 N/A ASN 632.A N GLU 611.A OE2 no hydrogen 3.045 N/A GLY 633.A N ASN 630.A O no hydrogen 3.100 N/A SER 635.A N ASN 630.A OD1 no hydrogen 3.417 N/A TYR 636.A N ASN 630.A OD1 no hydrogen 3.237 N/A TYR 636.A N GLY 633.A O no hydrogen 3.149 N/A TYR 637.A N HIS 469.A O no hydrogen 2.834 N/A TYR 637.A OH ASP 604.A OD1 no hydrogen 2.695 N/A TYR 637.A OH THR 606.A OG1 no hydrogen 2.483 N/A MET 638.A N VAL 608.A O no hydrogen 2.978 N/A ARG 639.A NH1 ARG 471.A O no hydrogen 3.206 N/A MET 640.A N THR 606.A O no hydrogen 2.903 N/A