Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9au8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ARG 64.A O no hydrogen 3.268 N/A SER 3.A OG SER 1.A O no hydrogen 3.415 N/A ILE 5.A N ALA 66.A O no hydrogen 2.896 N/A VAL 7.A N TYR 68.A O no hydrogen 3.137 N/A SER 9.A N ASP 6.A O no hydrogen 3.401 N/A SER 9.A OG ASP 6.A O no hydrogen 2.822 N/A GLN 11.A NE2 GLN 15.A OE1 no hydrogen 3.209 N/A PHE 14.A N ASP 10.A O no hydrogen 2.929 N/A GLN 15.A N GLN 11.A O no hydrogen 2.904 N/A THR 16.A N ASN 12.A O no hydrogen 2.933 N/A PHE 17.A N LEU 13.A O no hydrogen 2.902 N/A ILE 18.A N PHE 14.A O no hydrogen 2.895 N/A LYS 19.A N GLN 15.A O no hydrogen 2.924 N/A GLU 20.A N THR 16.A O no hydrogen 2.913 N/A TRP 21.A N PHE 17.A O no hydrogen 2.869 N/A ARG 22.A N ILE 18.A O no hydrogen 2.905 N/A CYS 23.A N LYS 19.A O no hydrogen 2.937 N/A CYS 23.A SG LYS 19.A O no hydrogen 3.285 N/A LYS 24.A N TRP 21.A O no hydrogen 3.081 N/A PHE 27.A N SER 100.A O no hydrogen 3.090 N/A SER 28.A OG VAL 102.A O no hydrogen 3.105 N/A SER 28.A OG SER 189.A O no hydrogen 3.442 N/A SER 30.A OG GLU 188.A OE1 no hydrogen 2.686 N/A SER 30.A OG GLU 188.A OE2 no hydrogen 2.881 N/A LEU 31.A N SER 30.A OG no hydrogen 2.801 N/A CYS 33.A SG GLY 172.A O no hydrogen 3.257 N/A GLU 34.A N LEU 53.A O no hydrogen 2.908 N/A LYS 35.A NZ ALA 175.A O no hydrogen 2.994 N/A ILE 46.A N THR 52.A O no hydrogen 3.440 N/A THR 52.A N CYS 49.A O no hydrogen 3.240 N/A LEU 53.A N GLU 34.A O no hydrogen 2.889 N/A VAL 54.A N PHE 44.A O no hydrogen 3.274 N/A VAL 55.A N ALA 32.A O no hydrogen 2.841 N/A LEU 57.A N PHE 69.A O no hydrogen 2.859 N/A VAL 59.A N TYR 67.A O no hydrogen 3.336 N/A CYS 60.A SG GLY 62.A O no hydrogen 3.953 N/A CYS 60.A SG GLY 63.A O no hydrogen 3.689 N/A ALA 66.A N SER 3.A O no hydrogen 2.915 N/A TYR 67.A N VAL 59.A O no hydrogen 2.821 N/A PHE 69.A N LEU 57.A O no hydrogen 2.875 N/A LEU 71.A N VAL 55.A O no hydrogen 3.352 N/A GLN 72.A N SER 70.A OG no hydrogen 3.244 N/A GLN 72.A NE2 ASP 42.A OD1 no hydrogen 3.001 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.902 N/A SER 77.A N ASP 75.A OD1 no hydrogen 3.439 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 2.919 N/A SER 77.A OG ASP 75.A OD2 no hydrogen 3.082 N/A LEU 78.A N ASP 75.A O no hydrogen 3.226 N/A MET 84.A N LEU 80.A O no hydrogen 2.887 N/A TRP 85.A N LYS 81.A O no hydrogen 2.915 N/A TYR 86.A N ASP 82.A O no hydrogen 2.885 N/A LEU 87.A N ARG 83.A O no hydrogen 2.917 N/A GLN 88.A N MET 84.A O no hydrogen 2.903 N/A SER 89.A N TRP 85.A O no hydrogen 2.894 N/A SER 89.A OG TRP 85.A O no hydrogen 2.914 N/A CYS 90.A N TYR 86.A O no hydrogen 2.945 N/A CYS 90.A SG TYR 86.A O no hydrogen 2.961 N/A CYS 90.A SG LEU 87.A O no hydrogen 3.478 N/A LEU 91.A N GLN 88.A O no hydrogen 3.295 N/A ARG 92.A NH1 GLU 94.A OE1 no hydrogen 3.493 N/A ARG 92.A NH2 GLN 88.A OE1 no hydrogen 2.960 N/A SER 95.A OG GLU 94.A O no hydrogen 2.709 N/A CYS 99.A N LYS 97.A O no hydrogen 2.961 N/A CYS 99.A SG LYS 24.A O no hydrogen 3.372 N/A SER 100.A N LYS 25.A O no hydrogen 2.960 N/A VAL 101.A N SER 124.A O no hydrogen 2.781 N/A VAL 102.A N PHE 27.A O no hydrogen 2.901 N/A TYR 104.A OH PRO 142.A O no hydrogen 2.805 N/A PHE 106.A N ASP 127.A OD2 no hydrogen 2.775 N/A SER 109.A N ASP 105.A O no hydrogen 3.041 N/A SER 109.A OG TYR 104.A O no hydrogen 3.427 N/A SER 109.A OG ASP 105.A O no hydrogen 3.175 N/A TYR 110.A N PHE 106.A O no hydrogen 2.852 N/A TYR 110.A OH HIS 572.A NE2 no hydrogen 2.959 N/A LYS 111.A N ILE 107.A O no hydrogen 2.946 N/A LYS 111.A NZ GLU 227.A OE2 no hydrogen 3.275 N/A ILE 112.A N GLN 108.A O no hydrogen 2.913 N/A LEU 113.A N SER 109.A O no hydrogen 2.900 N/A LEU 114.A N TYR 110.A O no hydrogen 2.928 N/A LEU 115.A N LYS 111.A O no hydrogen 2.926 N/A SER 116.A N ILE 112.A O no hydrogen 3.195 N/A SER 116.A OG ILE 112.A O no hydrogen 2.662 N/A CYS 117.A N ILE 112.A O no hydrogen 3.390 N/A CYS 117.A SG ILE 112.A O no hydrogen 3.400 N/A CYS 117.A SG SER 116.A OG no hydrogen 3.455 N/A GLY 118.A N LEU 114.A O no hydrogen 3.240 N/A ILE 119.A N LEU 113.A O no hydrogen 2.959 N/A GLU 122.A N GLN 123.A OE1 no hydrogen 3.270 N/A GLN 123.A NE2 CYS 90.A O no hydrogen 3.449 N/A SER 124.A N CYS 99.A O no hydrogen 3.030 N/A TYR 125.A OH LEU 121.A O no hydrogen 3.180 N/A GLU 126.A N VAL 101.A O no hydrogen 2.911 N/A LYS 129.A N ASP 127.A OD1 no hydrogen 2.809 N/A LYS 129.A NZ ASP 105.A OD1 no hydrogen 3.426 N/A ALA 131.A N ASP 127.A O no hydrogen 3.400 N/A CYS 132.A N PRO 128.A O no hydrogen 2.897 N/A TRP 133.A N LYS 129.A O no hydrogen 2.908 N/A TRP 133.A NE1 THR 351.A O no hydrogen 2.986 N/A LEU 134.A N VAL 130.A O no hydrogen 2.873 N/A LEU 135.A N ALA 131.A O no hydrogen 2.943 N/A ASP 136.A N CYS 132.A O no hydrogen 3.261 N/A SER 139.A N ASP 136.A O no hydrogen 3.114 N/A SER 139.A OG ASP 136.A O no hydrogen 2.869 N/A SER 139.A OG GLN 140.A O no hydrogen 3.334 N/A THR 143.A OG1 SER 165.A O no hydrogen 2.820 N/A THR 143.A OG1 GLY 167.A O no hydrogen 2.735 N/A HIS 145.A N SER 165.A O no hydrogen 3.261 N/A SER 146.A OG THR 143.A O no hydrogen 2.768 N/A ILE 147.A N THR 143.A O no hydrogen 3.151 N/A VAL 148.A N LEU 144.A O no hydrogen 2.921 N/A THR 149.A N HIS 145.A O no hydrogen 2.889 N/A THR 149.A OG1 HIS 145.A ND1 no hydrogen 3.374 N/A THR 149.A OG1 HIS 145.A O no hydrogen 2.856 N/A SER 150.A N SER 146.A O no hydrogen 2.916 N/A PHE 151.A N ILE 147.A O no hydrogen 2.896 N/A LEU 152.A N VAL 148.A O no hydrogen 2.879 N/A LEU 156.A N PRO 153.A O no hydrogen 2.913 N/A LEU 158.A N GLU 155.A O no hydrogen 2.965 N/A LEU 159.A N LEU 156.A O no hydrogen 2.954 N/A GLU 160.A N PRO 157.A O no hydrogen 3.241 N/A GLY 167.A N THR 164.A O no hydrogen 3.393 N/A LEU 173.A N SER 170.A O no hydrogen 3.272 N/A ASN 174.A ND2 SER 170.A O no hydrogen 3.193 N/A GLY 176.A N ASN 174.A OD1 no hydrogen 3.033 N/A SER 180.A OG GLU 34.A OE2 no hydrogen 3.308 N/A GLY 181.A N GLU 34.A OE2 no hydrogen 2.915 N/A ARG 182.A NE ASP 6.A OD1 no hydrogen 3.066 N/A ARG 184.A N SER 180.A O no hydrogen 2.940 N/A ARG 184.A NE LEU 171.A O no hydrogen 2.903 N/A ARG 184.A NH2 CYS 33.A O no hydrogen 2.896 N/A ARG 184.A NH2 ASN 174.A O no hydrogen 2.901 N/A ALA 185.A N GLY 181.A O no hydrogen 2.892 N/A SER 186.A N ARG 182.A O no hydrogen 2.905 N/A SER 186.A OG ARG 182.A O no hydrogen 2.838 N/A VAL 187.A N TYR 183.A O no hydrogen 2.946 N/A GLU 188.A N ARG 184.A O no hydrogen 2.932 N/A SER 189.A N ALA 185.A O no hydrogen 2.843 N/A SER 189.A OG ALA 185.A O no hydrogen 3.498 N/A SER 189.A OG SER 186.A O no hydrogen 2.797 N/A ILE 190.A N SER 186.A O no hydrogen 2.986 N/A LEU 191.A N VAL 187.A O no hydrogen 2.945 N/A ILE 192.A N GLU 188.A O no hydrogen 2.862 N/A PHE 193.A N SER 189.A O no hydrogen 2.921 N/A ASN 194.A N ILE 190.A O no hydrogen 3.003 N/A ASN 194.A ND2 GLY 63.A O no hydrogen 3.330 N/A ASN 194.A ND2 ILE 190.A O no hydrogen 2.917 N/A SER 195.A N LEU 191.A O no hydrogen 2.892 N/A SER 195.A OG LEU 191.A O no hydrogen 2.939 N/A SER 195.A OG ILE 192.A O no hydrogen 2.898 N/A MET 196.A N ILE 192.A O no hydrogen 2.824 N/A ASN 197.A N PHE 193.A O no hydrogen 2.933 N/A GLN 198.A N ASN 194.A O no hydrogen 3.009 N/A LEU 199.A N SER 195.A O no hydrogen 2.836 N/A ASN 200.A N MET 196.A O no hydrogen 2.821 N/A ASN 200.A ND2 GLU 126.A OE1 no hydrogen 3.360 N/A ASN 200.A ND2 GLU 126.A OE2 no hydrogen 2.873 N/A SER 201.A N ASN 197.A O no hydrogen 2.988 N/A SER 201.A OG ASN 197.A O no hydrogen 3.399 N/A LEU 202.A N GLN 198.A O no hydrogen 2.931 N/A LEU 203.A N LEU 199.A O no hydrogen 2.833 N/A GLN 204.A N ASN 200.A O no hydrogen 2.901 N/A LYS 205.A N SER 201.A O no hydrogen 2.946 N/A GLU 206.A N LEU 202.A O no hydrogen 2.891 N/A ASN 207.A N GLN 204.A O no hydrogen 3.370 N/A LEU 208.A N LEU 203.A O no hydrogen 2.915 N/A PHE 212.A N GLN 209.A O no hydrogen 3.151 N/A ARG 213.A N GLN 209.A O no hydrogen 2.888 N/A LYS 214.A N ASP 210.A O no hydrogen 2.912 N/A GLU 216.A N VAL 211.A O no hydrogen 3.262 N/A MET 217.A N PHE 212.A O no hydrogen 3.022 N/A SER 219.A N VAL 215.A O no hydrogen 2.807 N/A GLN 220.A N GLU 216.A O no hydrogen 2.896 N/A GLN 220.A NE2 GLU 216.A OE1 no hydrogen 3.355 N/A GLN 220.A NE2 SER 349.A OG no hydrogen 2.940 N/A TYR 221.A N MET 217.A O no hydrogen 2.926 N/A TYR 221.A OH GLU 561.A OE2 no hydrogen 3.075 N/A CYS 222.A N PRO 218.A O no hydrogen 2.878 N/A CYS 222.A SG PRO 218.A O no hydrogen 3.264 N/A CYS 222.A SG THR 553.A O no hydrogen 3.719 N/A LEU 223.A N SER 219.A O no hydrogen 2.854 N/A ALA 224.A N GLN 220.A O no hydrogen 2.877 N/A LEU 225.A N TYR 221.A O no hydrogen 2.964 N/A LEU 226.A N CYS 222.A O no hydrogen 2.855 N/A GLU 227.A N LEU 223.A O no hydrogen 2.857 N/A LEU 228.A N ALA 224.A O no hydrogen 2.923 N/A ASN 229.A N LEU 225.A O no hydrogen 2.892 N/A ASN 229.A ND2 PHE 585.A O no hydrogen 3.357 N/A GLY 230.A N LEU 226.A O no hydrogen 2.864 N/A ILE 231.A N ILE 343.A O no hydrogen 2.889 N/A PHE 233.A N GLU 341.A O no hydrogen 3.120 N/A SER 234.A N ALA 385.A O no hydrogen 2.916 N/A SER 234.A OG ALA 385.A O no hydrogen 3.308 N/A THR 235.A OG1 GLU 341.A OE1 no hydrogen 2.969 N/A CYS 238.A N THR 235.A O no hydrogen 3.362 N/A GLU 239.A N THR 235.A O no hydrogen 2.919 N/A LYS 242.A N CYS 238.A O no hydrogen 2.899 N/A HIS 243.A N GLU 239.A O no hydrogen 2.897 N/A ILE 244.A N SER 240.A O no hydrogen 2.930 N/A MET 245.A N GLN 241.A O no hydrogen 2.931 N/A GLN 246.A N LYS 242.A O no hydrogen 2.897 N/A ALA 247.A N HIS 243.A O no hydrogen 2.899 N/A LYS 248.A N ILE 244.A O no hydrogen 2.938 N/A LYS 248.A NZ LYS 373.A O no hydrogen 2.851 N/A LEU 249.A N MET 245.A O no hydrogen 2.841 N/A ASP 250.A N GLN 246.A O no hydrogen 2.966 N/A ALA 251.A N ALA 247.A O no hydrogen 2.929 N/A ILE 252.A N LYS 248.A O no hydrogen 2.888 N/A GLU 253.A N LEU 249.A O no hydrogen 2.881 N/A THR 254.A N ASP 250.A O no hydrogen 2.928 N/A THR 254.A OG1 ASP 250.A O no hydrogen 3.168 N/A THR 254.A OG1 ALA 251.A O no hydrogen 2.751 N/A GLN 255.A N ALA 251.A O no hydrogen 2.923 N/A ALA 256.A N ILE 252.A O no hydrogen 2.884 N/A TYR 257.A N GLU 253.A O no hydrogen 2.895 N/A TYR 257.A OH PHE 264.A O no hydrogen 2.885 N/A GLN 258.A N THR 254.A O no hydrogen 2.924 N/A GLN 258.A NE2 GLN 255.A O no hydrogen 2.769 N/A LEU 259.A N GLN 255.A O no hydrogen 2.907 N/A ALA 260.A N ALA 256.A O no hydrogen 2.903 N/A GLY 261.A N TYR 257.A O no hydrogen 2.886 N/A HIS 262.A ND1 ALA 260.A O no hydrogen 2.939 N/A SER 268.A OG SER 265.A O no hydrogen 3.063 N/A ILE 272.A N SER 268.A O no hydrogen 3.353 N/A ALA 273.A N SER 269.A O no hydrogen 2.899 N/A GLU 274.A N ASP 270.A O no hydrogen 2.901 N/A VAL 275.A N ASP 271.A O no hydrogen 2.901 N/A LEU 276.A N ILE 272.A O no hydrogen 2.893 N/A PHE 277.A N ALA 273.A O no hydrogen 2.910 N/A GLU 279.A N GLU 274.A O no hydrogen 3.036 N/A LEU 280.A N VAL 275.A O no hydrogen 3.115 N/A LYS 281.A NZ GLU 279.A O no hydrogen 3.037 N/A LEU 282.A N LEU 276.A O no hydrogen 3.286 N/A SER 292.A OG GLU 287.A O no hydrogen 3.069 N/A VAL 297.A N ASP 296.A OD1 no hydrogen 2.755 N/A LEU 298.A N SER 294.A O no hydrogen 3.291 N/A ASN 299.A N LYS 295.A O no hydrogen 2.893 N/A LYS 300.A N ASP 296.A O no hydrogen 2.912 N/A LEU 301.A N VAL 297.A O no hydrogen 2.900 N/A LYS 302.A N ASN 299.A O no hydrogen 3.249 N/A HIS 305.A N LEU 301.A O no hydrogen 3.338 N/A LEU 307.A N HIS 305.A ND1 no hydrogen 3.013 N/A LEU 310.A N PRO 306.A O no hydrogen 3.220 N/A ILE 311.A N LEU 307.A O no hydrogen 2.908 N/A LEU 312.A N PRO 308.A O no hydrogen 2.884 N/A GLU 313.A N GLY 309.A O no hydrogen 2.919 N/A TRP 314.A N LEU 310.A O no hydrogen 2.884 N/A ARG 315.A N ILE 311.A O no hydrogen 2.900 N/A ARG 315.A NH1 THR 293.A O no hydrogen 2.885 N/A ARG 315.A NH2 THR 293.A O no hydrogen 3.263 N/A ARG 316.A N LEU 312.A O no hydrogen 2.954 N/A ILE 317.A N GLU 313.A O no hydrogen 2.932 N/A THR 318.A N TRP 314.A O no hydrogen 2.858 N/A ASN 319.A N ARG 315.A O no hydrogen 2.897 N/A ALA 320.A N ARG 316.A O no hydrogen 2.883 N/A ILE 321.A N ILE 317.A O no hydrogen 2.874 N/A THR 322.A N THR 318.A O no hydrogen 2.905 N/A THR 322.A OG1 THR 318.A O no hydrogen 2.757 N/A LYS 323.A N ASN 319.A O no hydrogen 2.983 N/A VAL 325.A N ALA 320.A O no hydrogen 3.019 N/A LEU 328.A N VAL 324.A O no hydrogen 3.135 N/A GLN 329.A N VAL 325.A O no hydrogen 2.951 N/A ARG 330.A N PHE 326.A O no hydrogen 2.886 N/A LYS 332.A NZ GLN 329.A O no hydrogen 3.076 N/A LYS 332.A NZ GLN 329.A OE1 no hydrogen 3.456 N/A CYS 333.A N ARG 342.A O no hydrogen 2.883 N/A LEU 338.A N ASN 335.A OD1 no hydrogen 3.343 N/A GLY 339.A N PRO 336.A O no hydrogen 3.190 N/A ARG 342.A N CYS 333.A O no hydrogen 3.047 N/A ARG 342.A NE ASN 229.A O no hydrogen 2.921 N/A ARG 342.A NH1 GLU 596.A OE2 no hydrogen 2.925 N/A ARG 342.A NH2 GLY 230.A O no hydrogen 2.947 N/A ARG 342.A NH2 GLU 596.A OE2 no hydrogen 3.307 N/A ILE 343.A N ILE 231.A O no hydrogen 2.910 N/A VAL 346.A N THR 359.A O no hydrogen 2.950 N/A SER 347.A N GLU 227.A OE1 no hydrogen 3.262 N/A SER 347.A OG GLU 227.A OE1 no hydrogen 2.807 N/A GLN 348.A N THR 357.A O no hydrogen 2.890 N/A HIS 350.A NE2 SER 139.A O no hydrogen 2.996 N/A HIS 350.A NE2 GLN 140.A O no hydrogen 3.081 N/A THR 351.A OG1 ARG 355.A O no hydrogen 2.785 N/A THR 357.A N GLN 348.A O no hydrogen 2.927 N/A THR 357.A OG1 GLN 348.A O no hydrogen 3.253 N/A THR 359.A N VAL 346.A O no hydrogen 2.865 N/A THR 359.A OG1 VAL 346.A O no hydrogen 3.131 N/A ASN 362.A ND2 GLN 364.A OE1 no hydrogen 3.310 N/A GLN 364.A NE2 ILE 356.A O no hydrogen 2.976 N/A GLN 364.A NE2 GLN 588.A O no hydrogen 2.913 N/A PHE 378.A N ILE 372.A O no hydrogen 3.494 N/A SER 381.A N GLN 241.A OE1 no hydrogen 3.185 N/A SER 381.A OG ASP 369.A OD1 no hydrogen 2.798 N/A ALA 385.A N MET 382.A O no hydrogen 3.130 N/A PHE 386.A N ARG 383.A O no hydrogen 3.406 N/A PHE 389.A N GLU 596.A OE2 no hydrogen 2.986 N/A SER 393.A N VAL 597.A O no hydrogen 2.981 N/A LEU 395.A N TYR 595.A O no hydrogen 2.867 N/A ALA 397.A N LEU 593.A O no hydrogen 2.999 N/A ASP 398.A N LYS 626.A O no hydrogen 2.915 N/A TYR 399.A N ASP 591.A O no hydrogen 3.329 N/A TYR 399.A OH MET 613.A O no hydrogen 2.783 N/A SER 400.A N LYS 624.A O no hydrogen 2.919 N/A ARG 405.A N GLN 401.A O no hydrogen 3.048 N/A ARG 405.A NE SER 400.A O no hydrogen 2.880 N/A ARG 405.A NH1 LEU 420.A O no hydrogen 2.845 N/A ARG 405.A NH2 LEU 420.A O no hydrogen 3.148 N/A ILE 406.A N LEU 402.A O no hydrogen 2.893 N/A LEU 407.A N GLU 403.A O no hydrogen 2.909 N/A ALA 408.A N LEU 404.A O no hydrogen 2.883 N/A HIS 409.A N ARG 405.A O no hydrogen 2.889 N/A HIS 409.A ND1 SER 620.A OG no hydrogen 3.079 N/A LEU 410.A N ILE 406.A O no hydrogen 2.986 N/A SER 411.A OG LEU 407.A O no hydrogen 2.712 N/A SER 411.A OG ASP 413.A OD1 no hydrogen 2.768 N/A HIS 412.A N ALA 408.A O no hydrogen 2.852 N/A ILE 417.A N ASP 413.A O no hydrogen 2.840 N/A GLN 418.A N ARG 414.A O no hydrogen 2.910 N/A VAL 419.A N ARG 415.A O no hydrogen 2.891 N/A LEU 420.A N LEU 416.A O no hydrogen 2.893 N/A ASN 421.A N ILE 417.A O no hydrogen 2.903 N/A ARG 428.A NE ASP 425.A OD2 no hydrogen 2.932 N/A SER 429.A N ASP 425.A O no hydrogen 3.159 N/A ILE 430.A N VAL 426.A O no hydrogen 2.892 N/A ALA 431.A N PHE 427.A O no hydrogen 2.931 N/A ALA 432.A N ARG 428.A O no hydrogen 2.893 N/A GLU 433.A N SER 429.A O no hydrogen 2.902 N/A TRP 434.A N ILE 430.A O no hydrogen 2.893 N/A LYS 435.A N ALA 431.A O no hydrogen 2.916 N/A ILE 437.A N ALA 432.A O no hydrogen 3.309 N/A SER 441.A N GLU 438.A O no hydrogen 2.975 N/A VAL 442.A N PRO 439.A O no hydrogen 3.394 N/A ARG 447.A N GLY 443.A O no hydrogen 2.977 N/A ARG 447.A NH2 ASP 425.A OD1 no hydrogen 2.980 N/A GLN 448.A N ASP 444.A O no hydrogen 2.902 N/A GLN 449.A N ASP 445.A O no hydrogen 2.891 N/A ALA 450.A N LEU 446.A O no hydrogen 2.905 N/A LYS 451.A N ARG 447.A O no hydrogen 2.875 N/A LYS 451.A NZ GLN 448.A OE1 no hydrogen 3.231 N/A GLN 452.A N GLN 448.A O no hydrogen 2.904 N/A ILE 453.A N GLN 449.A O no hydrogen 2.913 N/A CYS 454.A N ALA 450.A O no hydrogen 2.871 N/A TYR 455.A N LYS 451.A O no hydrogen 2.916 N/A GLY 456.A N GLN 452.A O no hydrogen 2.924 N/A ILE 457.A N ILE 453.A O no hydrogen 2.978 N/A ILE 458.A N CYS 454.A O no hydrogen 2.894 N/A TYR 459.A N TYR 455.A O no hydrogen 2.895 N/A GLY 460.A N ILE 457.A O no hydrogen 3.136 N/A LEU 466.A N GLY 462.A O no hydrogen 3.093 N/A GLY 467.A N ALA 463.A O no hydrogen 2.895 N/A GLU 468.A N LYS 464.A O no hydrogen 2.907 N/A GLN 469.A N SER 465.A O no hydrogen 2.938 N/A MET 470.A N LEU 466.A O no hydrogen 2.861 N/A ILE 472.A N GLY 467.A O no hydrogen 3.158 N/A ALA 477.A N LYS 473.A O no hydrogen 2.887 N/A ALA 478.A N GLU 474.A O no hydrogen 2.894 N/A CYS 479.A N ASN 475.A O no hydrogen 2.911 N/A CYS 479.A SG ASP 476.A O no hydrogen 3.116 N/A TYR 480.A N ASP 476.A O no hydrogen 2.895 N/A ILE 481.A N ALA 477.A O no hydrogen 2.886 N/A ASP 482.A N ALA 478.A O no hydrogen 2.907 N/A SER 483.A N CYS 479.A O no hydrogen 2.888 N/A SER 483.A OG CYS 479.A O no hydrogen 3.361 N/A SER 483.A OG TYR 480.A O no hydrogen 2.772 N/A PHE 484.A N TYR 480.A O no hydrogen 2.914 N/A LYS 485.A N ILE 481.A O no hydrogen 2.894 N/A SER 486.A N ASP 482.A O no hydrogen 2.881 N/A SER 486.A OG ASP 482.A O no hydrogen 2.989 N/A SER 486.A OG SER 483.A O no hydrogen 2.931 N/A ARG 487.A N SER 483.A O no hydrogen 2.907 N/A TYR 488.A N PHE 484.A O no hydrogen 3.376 N/A ASN 492.A ND2 LYS 485.A O no hydrogen 2.907 N/A GLN 493.A N THR 489.A O no hydrogen 2.917 N/A PHE 494.A N GLY 490.A O no hydrogen 2.882 N/A MET 495.A N ILE 491.A O no hydrogen 2.890 N/A THR 496.A N ASN 492.A O no hydrogen 2.904 N/A THR 496.A OG1 ASN 492.A O no hydrogen 2.839 N/A THR 496.A OG1 GLN 493.A O no hydrogen 2.777 N/A GLU 497.A N GLN 493.A O no hydrogen 2.913 N/A THR 498.A N PHE 494.A O no hydrogen 2.881 N/A VAL 499.A N MET 495.A O no hydrogen 2.912 N/A LYS 500.A N THR 496.A O no hydrogen 2.916 N/A ASN 501.A N GLU 497.A O no hydrogen 2.888 N/A CYS 502.A N THR 498.A O no hydrogen 2.887 N/A LYS 503.A N VAL 499.A O no hydrogen 2.917 N/A ARG 504.A N LYS 500.A O no hydrogen 2.893 N/A ARG 504.A NH2 ASN 501.A OD1 no hydrogen 2.968 N/A ASP 505.A N ASN 501.A O no hydrogen 2.895 N/A GLY 506.A N CYS 502.A O no hydrogen 2.993 N/A VAL 508.A N ARG 516.A O no hydrogen 3.139 N/A THR 510.A N ARG 514.A O no hydrogen 2.815 N/A THR 510.A OG1 ARG 514.A O no hydrogen 2.910 N/A GLY 513.A N THR 510.A O no hydrogen 2.842 N/A ARG 514.A NE ASP 547.A OD2 no hydrogen 2.927 N/A ARG 514.A NH2 THR 353.A O no hydrogen 3.291 N/A ARG 516.A N VAL 508.A O no hydrogen 3.376 N/A LEU 518.A N GLY 506.A O no hydrogen 3.468 N/A ILE 521.A N LEU 518.A O no hydrogen 3.527 N/A LYS 522.A N PRO 519.A O no hydrogen 2.929 N/A ASP 523.A N GLY 520.A O no hydrogen 3.095 N/A ASN 525.A N ASP 523.A OD1 no hydrogen 3.258 N/A TYR 527.A N ASN 525.A OD1 no hydrogen 2.956 N/A LYS 529.A N ASN 525.A O no hydrogen 2.876 N/A LYS 529.A NZ ILE 521.A O no hydrogen 2.977 N/A ALA 530.A N PRO 526.A O no hydrogen 2.934 N/A HIS 531.A N TYR 527.A O no hydrogen 2.866 N/A ALA 532.A N ARG 528.A O no hydrogen 2.859 N/A GLU 533.A N LYS 529.A O no hydrogen 2.927 N/A ARG 534.A N ALA 530.A O no hydrogen 2.972 N/A GLN 535.A N HIS 531.A O no hydrogen 2.808 N/A ALA 536.A N ALA 532.A O no hydrogen 2.834 N/A ILE 537.A N GLU 533.A O no hydrogen 3.015 N/A ASN 538.A N ARG 534.A O no hydrogen 2.952 N/A ASN 538.A ND2 GLN 542.A OE1 no hydrogen 3.021 N/A THR 539.A N GLN 535.A O no hydrogen 2.767 N/A THR 539.A OG1 GLN 535.A O no hydrogen 2.821 N/A ILE 540.A N ALA 536.A O no hydrogen 2.959 N/A VAL 541.A N ILE 537.A O no hydrogen 3.078 N/A GLN 542.A N ASN 538.A O no hydrogen 2.792 N/A GLY 543.A N THR 539.A O no hydrogen 2.827 N/A SER 544.A N ILE 540.A O no hydrogen 2.959 N/A SER 544.A OG ILE 540.A O no hydrogen 2.753 N/A ALA 545.A N VAL 541.A O no hydrogen 2.967 N/A ALA 546.A N GLN 542.A O no hydrogen 2.854 N/A ASP 547.A N GLY 543.A O no hydrogen 2.864 N/A ILE 548.A N SER 544.A O no hydrogen 2.897 N/A VAL 549.A N ALA 545.A O no hydrogen 2.952 N/A LYS 550.A N ALA 546.A O no hydrogen 2.877 N/A LYS 550.A NZ GLU 216.A OE2 no hydrogen 2.916 N/A LYS 550.A NZ GLY 354.A O no hydrogen 3.409 N/A ILE 551.A N ASP 547.A O no hydrogen 2.887 N/A ALA 552.A N ILE 548.A O no hydrogen 2.919 N/A THR 553.A N VAL 549.A O no hydrogen 2.875 N/A THR 553.A OG1 VAL 549.A O no hydrogen 2.647 N/A VAL 554.A N LYS 550.A O no hydrogen 2.950 N/A ASN 555.A N ILE 551.A O no hydrogen 2.892 N/A ILE 556.A N ALA 552.A O no hydrogen 2.896 N/A GLN 557.A N THR 553.A O no hydrogen 2.923 N/A LYS 558.A N VAL 554.A O no hydrogen 2.903 N/A GLN 559.A N ASN 555.A O no hydrogen 2.904 N/A LEU 560.A N ILE 556.A O no hydrogen 2.910 N/A GLU 561.A N LYS 558.A O no hydrogen 3.146 N/A THR 562.A N LYS 558.A O no hydrogen 2.929 N/A THR 562.A OG1 LYS 558.A O no hydrogen 3.395 N/A THR 562.A OG1 GLN 559.A O no hydrogen 2.869 N/A PHE 563.A N GLN 559.A O no hydrogen 3.028 N/A THR 566.A N HIS 564.A O no hydrogen 2.712 N/A THR 566.A OG1 PHE 567.A O no hydrogen 3.400 N/A THR 566.A OG1 ARG 581.A O no hydrogen 2.868 N/A LYS 568.A NZ GLU 122.A OE2 no hydrogen 2.939 N/A LYS 568.A NZ TYR 221.A OH no hydrogen 2.992 N/A LYS 568.A NZ GLU 561.A OE2 no hydrogen 2.872 N/A SER 569.A OG ASN 229.A OD1 no hydrogen 2.823 N/A HIS 570.A N ASN 229.A OD1 no hydrogen 2.908 N/A GLY 571.A N SER 569.A OG no hydrogen 3.094 N/A ARG 573.A N SER 569.A O no hydrogen 2.919 N/A GLU 574.A N HIS 570.A O no hydrogen 2.911 N/A GLY 575.A N HIS 572.A O no hydrogen 3.236 N/A ARG 581.A NE ASP 601.A OD2 no hydrogen 2.949 N/A ILE 586.A N LEU 594.A O no hydrogen 2.921 N/A LEU 589.A N GLU 592.A O no hydrogen 3.060 N/A LEU 594.A N LEU 587.A O no hydrogen 2.836 N/A TYR 595.A N LEU 395.A O no hydrogen 3.135 N/A GLU 596.A N PHE 584.A O no hydrogen 2.887 N/A GLU 599.A N GLY 391.A O no hydrogen 2.903 N/A VAL 605.A N ASP 601.A O no hydrogen 3.359 N/A ALA 606.A N VAL 602.A O no hydrogen 3.380 N/A GLN 607.A N VAL 603.A O no hydrogen 2.828 N/A ILE 608.A N GLN 604.A O no hydrogen 2.926 N/A VAL 609.A N VAL 605.A O no hydrogen 2.930 N/A LYS 610.A N ALA 606.A O no hydrogen 2.808 N/A LYS 610.A NZ VAL 641.A O no hydrogen 3.069 N/A ASN 611.A N GLN 607.A O no hydrogen 2.825 N/A ASN 611.A N ILE 608.A O no hydrogen 2.959 N/A GLU 612.A N ILE 608.A O no hydrogen 2.849 N/A MET 613.A N VAL 609.A O no hydrogen 2.827 N/A SER 615.A N ASN 611.A O no hydrogen 2.901 N/A SER 615.A OG ASN 611.A O no hydrogen 3.375 N/A SER 620.A N HIS 409.A ND1 no hydrogen 3.018 N/A SER 620.A OG HIS 409.A ND1 no hydrogen 3.079 N/A LYS 626.A N ASP 398.A O no hydrogen 2.888 N/A LYS 626.A NZ SER 400.A OG no hydrogen 3.009 N/A LYS 628.A N ALA 396.A O no hydrogen 2.893 N/A ILE 629.A N LYS 637.A O no hydrogen 2.936 N/A GLY 630.A N ILE 394.A O no hydrogen 2.934 N/A SER 632.A OG HIS 384.A ND1 no hydrogen 3.385 N/A SER 632.A OG ALA 631.A O no hydrogen 2.769 N/A LYS 637.A N ILE 629.A O no hydrogen 2.866 N/A PHE 639.A N VAL 627.A O no hydrogen 3.079 N/A