Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q8e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG TYR 416.A OH no hydrogen 3.330 N/A LEU 6.A N SER 52.A O no hydrogen 2.893 N/A GLY 7.A N THR 22.A O no hydrogen 2.780 N/A TYR 8.A N ILE 50.A O no hydrogen 2.788 N/A TYR 8.A OH GLY 157.A O no hydrogen 2.609 N/A TYR 9.A N VAL 20.A O no hydrogen 2.900 N/A TYR 9.A OH LEU 29.A O no hydrogen 2.774 N/A PHE 10.A N SER 48.A O no hydrogen 2.928 N/A SER 11.A N ALA 17.A O no hydrogen 3.172 N/A ASN 14.A N ASP 12.A OD2 no hydrogen 3.094 N/A PHE 15.A N SER 48.A OG no hydrogen 3.295 N/A GLN 16.A N ASP 12.A OD1 no hydrogen 3.073 N/A GLN 16.A N ASP 12.A OD2 no hydrogen 3.014 N/A GLN 16.A NE2 ASN 14.A O no hydrogen 3.250 N/A GLN 16.A NE2 PHE 15.A O no hydrogen 3.150 N/A ALA 17.A N ASP 12.A OD1 no hydrogen 2.877 N/A MET 19.A N TYR 9.A O no hydrogen 2.791 N/A VAL 20.A N TYR 9.A O no hydrogen 3.271 N/A VAL 21.A N LEU 178.A O no hydrogen 2.796 N/A THR 22.A N GLY 7.A O no hydrogen 3.052 N/A THR 22.A OG1 SER 23.A O no hydrogen 3.508 N/A THR 22.A OG1 THR 176.A O no hydrogen 2.996 N/A SER 24.A N LEU 5.A O no hydrogen 3.249 N/A SER 24.A OG THR 26.A O no hydrogen 3.305 N/A SER 24.A OG ASP 28.A O no hydrogen 3.351 N/A GLY 27.A N ILE 128.A O no hydrogen 2.780 N/A ASP 28.A N THR 26.A OG1 no hydrogen 2.943 N/A LEU 29.A N PHE 114.A O no hydrogen 2.857 N/A SER 30.A N ASP 28.A OD1 no hydrogen 2.919 N/A SER 30.A OG ASP 28.A OD1 no hydrogen 2.665 N/A SER 30.A OG ASP 113.A OD1 no hydrogen 3.300 N/A SER 30.A OG PHE 114.A O no hydrogen 3.483 N/A ILE 31.A N LEU 112.A O no hydrogen 2.725 N/A GLU 35.A N PRO 32.A O no hydrogen 2.875 N/A LEU 36.A N SER 33.A O no hydrogen 3.013 N/A ILE 39.A N LEU 36.A O no hydrogen 3.101 N/A ASN 43.A N PRO 40.A O no hydrogen 2.773 N/A GLN 44.A N SER 41.A O no hydrogen 3.219 N/A GLN 44.A NE2 ILE 39.A O no hydrogen 3.245 N/A GLN 47.A N PHE 10.A O no hydrogen 3.051 N/A GLN 47.A NE2 SER 11.A O no hydrogen 3.113 N/A SER 48.A N PHE 10.A O no hydrogen 3.437 N/A SER 48.A OG ASP 12.A O no hydrogen 2.653 N/A ALA 49.A N TYR 102.A O no hydrogen 2.892 N/A ILE 50.A N TYR 8.A O no hydrogen 2.966 N/A TRP 51.A N ILE 100.A O no hydrogen 2.927 N/A TRP 51.A NE1 TYR 9.A OH no hydrogen 2.959 N/A GLY 53.A N ILE 98.A O no hydrogen 3.152 N/A PHE 54.A N GLN 134.A O no hydrogen 2.828 N/A ILE 55.A N TYR 96.A O no hydrogen 2.800 N/A LYS 56.A N ASN 132.A O no hydrogen 2.943 N/A GLU 62.A N ASP 61.A OD1 no hydrogen 2.658 N/A TYR 63.A N ILE 88.A O no hydrogen 2.926 N/A TYR 63.A OH LYS 59.A O no hydrogen 2.683 N/A THR 64.A N THR 119.A O no hydrogen 2.977 N/A THR 64.A OG1 ASN 86.A O no hydrogen 3.554 N/A ALA 66.A N TYR 117.A O no hydrogen 3.083 N/A THR 67.A N ASP 70.A OD1 no hydrogen 2.856 N/A THR 67.A OG1 ASP 70.A OD1 no hydrogen 2.742 N/A SER 68.A N LYS 115.A O no hydrogen 2.890 N/A ALA 69.A N THR 67.A OG1 no hydrogen 3.028 N/A HIS 72.A N ALA 69.A O no hydrogen 2.775 N/A VAL 73.A N ASP 70.A O no hydrogen 3.338 N/A THR 74.A N GLN 101.A O no hydrogen 3.059 N/A MET 75.A N ILE 83.A O no hydrogen 2.922 N/A TRP 76.A N LYS 99.A O no hydrogen 2.865 N/A VAL 77.A N GLN 80.A O no hydrogen 2.751 N/A ASP 78.A N GLN 97.A O no hydrogen 3.130 N/A GLN 80.A N VAL 77.A O no hydrogen 2.841 N/A VAL 82.A N MET 75.A O no hydrogen 2.941 N/A ILE 83.A N MET 75.A O no hydrogen 3.387 N/A SER 85.A N ASN 86.A OD1 no hydrogen 3.319 N/A ILE 88.A N TYR 63.A O no hydrogen 2.888 N/A LEU 90.A N ASP 61.A O no hydrogen 2.933 N/A GLU 91.A N TYR 96.A OH no hydrogen 2.887 N/A LYS 92.A N SER 60.A OG no hydrogen 3.004 N/A LYS 92.A NZ LYS 58.A O no hydrogen 3.459 N/A GLY 93.A N VAL 57.A O no hydrogen 3.342 N/A ARG 94.A N GLU 91.A O no hydrogen 3.366 N/A TYR 96.A N ILE 55.A O no hydrogen 2.852 N/A GLN 97.A N ASP 78.A OD1 no hydrogen 2.870 N/A ILE 98.A N GLY 53.A O no hydrogen 3.003 N/A LYS 99.A N TRP 76.A O no hydrogen 3.129 N/A ILE 100.A N TRP 51.A O no hydrogen 3.029 N/A GLN 101.A N THR 74.A O no hydrogen 2.836 N/A TYR 102.A N ALA 49.A O no hydrogen 2.857 N/A GLN 103.A N HIS 72.A O no hydrogen 3.047 N/A GLN 103.A NE2 LEU 13.A O no hydrogen 2.886 N/A GLN 103.A NE2 ASN 14.A OD1 no hydrogen 3.659 N/A ARG 104.A N GLN 47.A O no hydrogen 2.895 N/A ASN 106.A N GLN 47.A OE1 no hydrogen 2.966 N/A GLY 111.A N GLN 44.A O no hydrogen 2.752 N/A LEU 112.A N ILE 31.A O no hydrogen 2.815 N/A PHE 114.A N SER 30.A OG no hydrogen 3.187 N/A LYS 115.A N SER 68.A OG no hydrogen 2.889 N/A LEU 116.A N GLY 27.A O no hydrogen 2.837 N/A TYR 117.A N ALA 66.A O no hydrogen 2.623 N/A TRP 118.A N GLU 126.A O no hydrogen 3.063 N/A THR 119.A N THR 64.A O no hydrogen 2.900 N/A ASP 120.A N LYS 124.A O no hydrogen 3.235 N/A SER 121.A N ASP 61.A OD2 no hydrogen 3.321 N/A SER 121.A OG ASP 61.A OD1 no hydrogen 2.658 N/A SER 121.A OG ASP 61.A OD2 no hydrogen 3.007 N/A ASN 123.A N ASP 120.A O no hydrogen 3.311 N/A LYS 124.A N ASP 120.A OD1 no hydrogen 2.953 N/A LYS 124.A NZ GLU 126.A OE2 no hydrogen 2.875 N/A GLU 126.A N TRP 118.A O no hydrogen 3.034 N/A ILE 128.A N LEU 116.A O no hydrogen 3.065 N/A SER 130.A OG ASP 131.A OD1 no hydrogen 3.529 N/A ASN 132.A N SER 129.A O no hydrogen 3.082 N/A LEU 133.A N SER 130.A O no hydrogen 3.348 N/A GLN 134.A N PHE 54.A O no hydrogen 2.875 N/A LEU 138.A N PRO 136.A O no hydrogen 3.004 N/A LYS 139.A NZ GLU 212.A OE2 no hydrogen 2.709 N/A LYS 139.A NZ TYR 416.A O no hydrogen 2.974 N/A SER 143.A N ARG 146.A O no hydrogen 3.057 N/A ARG 146.A N SER 143.A OG no hydrogen 3.167 N/A ARG 146.A NE GLU 137.A OE1 no hydrogen 2.833 N/A ARG 146.A NH1 GLN 134.A OE1 no hydrogen 2.861 N/A ARG 146.A NH1 LEU 135.A O no hydrogen 2.847 N/A ARG 146.A NH2 LEU 135.A O no hydrogen 2.799 N/A ARG 146.A NH2 GLU 137.A OE1 no hydrogen 2.771 N/A LYS 148.A NZ GLN 140.A O no hydrogen 2.740 N/A ARG 153.A N ASP 160.A OD1 no hydrogen 2.926 N/A ARG 153.A NE GLU 199.A OE1 no hydrogen 2.852 N/A ASN 155.A N ASP 152.A O no hydrogen 3.096 N/A ASN 155.A ND2 GLU 137.A O no hydrogen 3.114 N/A ASN 155.A ND2 LYS 139.A O no hydrogen 2.909 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 2.977 N/A GLY 157.A N ASP 152.A OD2 no hydrogen 2.790 N/A ILE 158.A N ASP 156.A OD1 no hydrogen 2.892 N/A ASP 160.A N PRO 151.A O no hydrogen 2.952 N/A GLU 163.A N PRO 159.A O no hydrogen 3.213 N/A VAL 164.A N ASP 160.A O no hydrogen 2.969 N/A GLU 165.A N SER 161.A O no hydrogen 2.990 N/A GLY 166.A N LEU 162.A O no hydrogen 2.875 N/A TYR 167.A N TYR 194.A O no hydrogen 2.800 N/A TYR 167.A OH SER 196.A OG no hydrogen 2.729 N/A THR 168.A N SER 179.A O no hydrogen 2.844 N/A THR 168.A OG1 VAL 169.A O no hydrogen 3.507 N/A ASP 170.A N PHE 177.A O no hydrogen 3.039 N/A LYS 172.A N ARG 175.A O no hydrogen 2.670 N/A LYS 172.A NZ GLU 35.A O no hydrogen 3.011 N/A LYS 172.A NZ ASP 170.A OD2 no hydrogen 3.119 N/A ARG 175.A NH1 SER 30.A O no hydrogen 3.568 N/A ARG 175.A NH2 SER 30.A O no hydrogen 3.464 N/A PHE 177.A N ASP 170.A O no hydrogen 2.968 N/A LEU 178.A N VAL 21.A O no hydrogen 2.931 N/A SER 179.A N THR 168.A O no hydrogen 3.081 N/A SER 179.A OG MET 19.A O no hydrogen 2.818 N/A TRP 181.A N GLY 166.A O no hydrogen 2.952 N/A ILE 182.A N HIS 186.A ND1 no hydrogen 2.999 N/A ILE 185.A N ILE 182.A O no hydrogen 3.337 N/A HIS 186.A N ILE 182.A O no hydrogen 3.015 N/A HIS 186.A NE2 ASN 38.A O no hydrogen 2.904 N/A GLU 187.A N SER 183.A O no hydrogen 3.076 N/A LYS 189.A N ILE 185.A O no hydrogen 3.349 N/A GLY 190.A N GLU 187.A O no hydrogen 3.176 N/A LEU 191.A N HIS 186.A O no hydrogen 3.130 N/A TYR 194.A N TYR 167.A O no hydrogen 2.835 N/A SER 196.A N GLU 163.A O no hydrogen 3.047 N/A SER 196.A OG GLU 163.A OE2 no hydrogen 2.737 N/A SER 196.A OG TYR 167.A OH no hydrogen 2.729 N/A SER 197.A N THR 203.A OG1 no hydrogen 2.880 N/A SER 197.A OG THR 471.A OG1 no hydrogen 2.687 N/A GLU 199.A N SER 197.A OG no hydrogen 3.075 N/A LYS 200.A N SER 197.A O no hydrogen 3.355 N/A LYS 200.A NZ THR 203.A O no hydrogen 2.966 N/A LYS 200.A NZ SER 205.A OG no hydrogen 2.787 N/A LYS 200.A NZ GLU 469.A OE1 no hydrogen 3.226 N/A LYS 200.A NZ GLU 469.A OE2 no hydrogen 3.459 N/A TRP 201.A NE1 LEU 138.A O no hydrogen 2.867 N/A SER 202.A OG ASP 206.A O no hydrogen 3.193 N/A SER 202.A OG ASP 206.A OD1 no hydrogen 2.802 N/A SER 202.A OG TYR 208.A O no hydrogen 3.043 N/A THR 203.A N ASP 210.A OD1 no hydrogen 2.842 N/A THR 203.A OG1 ASP 210.A OD1 no hydrogen 3.457 N/A THR 203.A OG1 ASP 210.A OD2 no hydrogen 2.549 N/A SER 205.A N SER 202.A O no hydrogen 2.922 N/A SER 205.A OG THR 441.A OG1 no hydrogen 3.172 N/A ASP 206.A N SER 202.A OG no hydrogen 2.979 N/A TYR 208.A N ASP 206.A OD1 no hydrogen 3.122 N/A SER 209.A N GLU 212.A OE1 no hydrogen 3.020 N/A ASP 210.A N TRP 201.A O no hydrogen 2.945 N/A GLU 212.A N SER 209.A OG no hydrogen 2.856 N/A LYS 213.A N SER 209.A O no hydrogen 2.899 N/A LYS 213.A NZ ASP 206.A OD2 no hydrogen 2.801 N/A LYS 213.A NZ ALA 226.A O no hydrogen 3.341 N/A LYS 213.A NZ HIS 228.A O no hydrogen 3.499 N/A LYS 213.A NZ VAL 231.A O no hydrogen 2.945 N/A VAL 214.A N ASP 210.A O no hydrogen 3.254 N/A THR 215.A N PHE 211.A O no hydrogen 2.966 N/A THR 215.A OG1 PHE 211.A O no hydrogen 2.638 N/A GLY 216.A N LYS 213.A O no hydrogen 3.375 N/A ARG 217.A NE SER 2.A OG no hydrogen 2.952 N/A ARG 217.A NH1 THR 215.A OG1 no hydrogen 3.018 N/A ARG 217.A NH2 SER 2.A OG no hydrogen 2.823 N/A ILE 218.A N GLY 216.A O no hydrogen 2.849 N/A ASN 221.A N ASP 219.A OD1 no hydrogen 2.818 N/A ASN 221.A ND2 ASP 219.A OD1 no hydrogen 3.046 N/A ASN 221.A ND2 TYR 329.A OH no hydrogen 3.233 N/A VAL 222.A N ASP 219.A O no hydrogen 3.057 N/A SER 223.A N THR 325.A O no hydrogen 2.944 N/A SER 223.A OG GLY 324.A O no hydrogen 3.516 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.911 N/A ALA 226.A N SER 223.A O no hydrogen 3.086 N/A ARG 227.A N PRO 224.A O no hydrogen 3.238 N/A ARG 227.A NE VAL 222.A O no hydrogen 3.185 N/A ARG 227.A NH2 VAL 222.A O no hydrogen 2.903 N/A HIS 228.A N GLU 225.A O no hydrogen 3.285 N/A LEU 230.A N HIS 228.A ND1 no hydrogen 3.061 N/A VAL 231.A N HIS 228.A O no hydrogen 2.953 N/A ALA 232.A N ARG 458.A O no hydrogen 2.984 N/A ALA 233.A N ASP 206.A OD2 no hydrogen 2.870 N/A TYR 234.A N THR 325.A OG1 no hydrogen 3.119 N/A TYR 234.A OH GLU 456.A OE2 no hydrogen 2.559 N/A ILE 236.A N ASN 322.A OD1 no hydrogen 3.228 N/A HIS 238.A N VAL 321.A O no hydrogen 3.105 N/A ASP 240.A N ARG 319.A O no hydrogen 2.701 N/A MET 241.A N THR 270.A OG1 no hydrogen 2.929 N/A GLU 242.A N ASN 317.A O no hydrogen 2.881 N/A ILE 244.A N LYS 266.A O no hydrogen 2.961 N/A ILE 245.A N ASN 315.A O no hydrogen 2.800 N/A LEU 246.A N ILE 264.A O no hydrogen 2.813 N/A SER 247.A N ARG 313.A O no hydrogen 2.984 N/A LYS 248.A NZ GLY 305.A O no hydrogen 3.280 N/A ASN 249.A N THR 311.A O no hydrogen 2.930 N/A ASN 249.A ND2 THR 311.A OG1 no hydrogen 3.322 N/A ASN 249.A ND2 THR 387.A OG1 no hydrogen 2.964 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.803 N/A SER 253.A N ASP 251.A OD2 no hydrogen 2.967 N/A ILE 264.A N LEU 246.A O no hydrogen 2.873 N/A LYS 266.A N ILE 244.A O no hydrogen 3.046 N/A THR 268.A N GLU 242.A O no hydrogen 3.268 N/A THR 268.A OG1 MET 241.A O no hydrogen 2.867 N/A SER 269.A N ALA 289.A O no hydrogen 2.848 N/A THR 270.A OG1 ASP 240.A OD1 no hydrogen 3.318 N/A THR 270.A OG1 MET 241.A O no hydrogen 2.788 N/A SER 271.A N THR 287.A O no hydrogen 3.062 N/A ARG 272.A NH1 VAL 237.A O no hydrogen 3.544 N/A ARG 272.A NH1 ASN 284.A OD1 no hydrogen 3.087 N/A ARG 272.A NH2 ASN 284.A OD1 no hydrogen 3.045 N/A THR 273.A N SER 285.A O no hydrogen 2.855 N/A THR 273.A OG1 SER 285.A O no hydrogen 3.423 N/A HIS 274.A N ASN 555.A O no hydrogen 3.018 N/A GLY 279.A N HIS 274.A NE2 no hydrogen 2.975 N/A SER 281.A OG SER 283.A OG no hydrogen 3.074 N/A SER 283.A N SER 281.A OG no hydrogen 3.280 N/A SER 283.A OG SER 281.A OG no hydrogen 3.074 N/A ASN 284.A ND2 THR 406.A O no hydrogen 3.450 N/A ASN 284.A ND2 ASP 407.A O no hydrogen 3.092 N/A ASN 284.A ND2 TYR 410.A OH no hydrogen 2.870 N/A SER 285.A OG LEU 404.A O no hydrogen 3.557 N/A SER 285.A OG ASP 405.A OD1 no hydrogen 2.798 N/A SER 286.A N LEU 404.A O no hydrogen 3.011 N/A SER 286.A OG VAL 239.A O no hydrogen 2.762 N/A THR 287.A N SER 271.A O no hydrogen 3.014 N/A VAL 288.A N LEU 402.A O no hydrogen 2.799 N/A ALA 289.A N SER 269.A O no hydrogen 2.745 N/A ILE 290.A N LYS 400.A O no hydrogen 3.035 N/A ASP 291.A N ASN 267.A O no hydrogen 2.925 N/A SER 293.A N ASP 291.A OD1 no hydrogen 3.142 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 3.113 N/A SER 293.A OG ASP 291.A OD2 no hydrogen 2.847 N/A LEU 294.A N ASP 615.A O no hydrogen 2.755 N/A SER 295.A OG SER 265.A O no hydrogen 3.494 N/A THR 299.A N GLU 302.A OE1 no hydrogen 3.068 N/A PHE 300.A N GLU 397.A OE2 no hydrogen 2.992 N/A GLU 302.A N THR 299.A OG1 no hydrogen 2.973 N/A THR 303.A N THR 299.A O no hydrogen 2.889 N/A THR 303.A OG1 THR 299.A O no hydrogen 3.040 N/A MET 304.A N PHE 300.A O no hydrogen 3.028 N/A LEU 306.A N ALA 301.A O no hydrogen 2.910 N/A ASN 307.A N ASP 310.A OD2 no hydrogen 2.857 N/A ALA 309.A N ASN 307.A OD1 no hydrogen 2.938 N/A ASP 310.A N ASN 307.A O no hydrogen 2.855 N/A ALA 312.A N MET 388.A O no hydrogen 3.017 N/A ARG 313.A N SER 247.A O no hydrogen 2.856 N/A ARG 313.A NH1 ASN 249.A OD1 no hydrogen 2.821 N/A ARG 313.A NH1 GLU 250.A OE1 no hydrogen 3.002 N/A LEU 314.A N ILE 386.A O no hydrogen 2.951 N/A ASN 315.A N ILE 245.A O no hydrogen 2.860 N/A ASN 317.A N ASN 243.A O no hydrogen 3.217 N/A ASN 317.A ND2 ASN 243.A OD1 no hydrogen 2.946 N/A ILE 318.A N ILE 373.A O no hydrogen 2.750 N/A ARG 319.A N ASP 240.A O no hydrogen 2.807 N/A ARG 319.A NE PRO 366.A O no hydrogen 3.015 N/A ARG 319.A NH1 GLU 242.A OE2 no hydrogen 3.440 N/A ARG 319.A NH1 LEU 370.A O no hydrogen 3.386 N/A ARG 319.A NH2 PRO 366.A O no hydrogen 2.988 N/A ARG 319.A NH2 LEU 370.A O no hydrogen 2.650 N/A TYR 320.A N TYR 365.A O no hydrogen 2.891 N/A VAL 321.A N HIS 238.A O no hydrogen 2.806 N/A ASN 322.A N ASN 363.A O no hydrogen 2.953 N/A ASN 322.A ND2 ALA 326.A O no hydrogen 2.911 N/A ASN 322.A ND2 LEU 359.A O no hydrogen 3.157 N/A THR 323.A N ILE 236.A O no hydrogen 2.850 N/A THR 323.A OG1 ILE 236.A O no hydrogen 3.546 N/A GLY 324.A N ASN 322.A OD1 no hydrogen 2.919 N/A THR 325.A N TYR 234.A O no hydrogen 2.819 N/A THR 325.A OG1 ALA 232.A O no hydrogen 2.824 N/A THR 325.A OG1 TYR 234.A O no hydrogen 3.446 N/A ALA 326.A N TYR 234.A O no hydrogen 3.237 N/A ILE 328.A N LEU 359.A O no hydrogen 3.009 N/A TYR 329.A OH ASP 219.A OD1 no hydrogen 3.176 N/A TYR 329.A OH ASP 219.A OD2 no hydrogen 2.651 N/A ASN 330.A ND2 ASN 412.A OD1 no hydrogen 2.903 N/A THR 334.A N ASP 407.A OD1 no hydrogen 3.086 N/A THR 335.A N ILE 348.A O no hydrogen 3.076 N/A THR 335.A OG1 THR 406.A OG1 no hydrogen 2.769 N/A SER 336.A N ASP 405.A O no hydrogen 2.846 N/A LEU 337.A N ALA 346.A O no hydrogen 2.995 N/A VAL 338.A N ARG 403.A O no hydrogen 2.817 N/A LEU 339.A N GLN 343.A O no hydrogen 2.815 N/A GLN 343.A N LEU 339.A O no hydrogen 3.150 N/A GLN 343.A NE2 LEU 339.A O no hydrogen 3.680 N/A GLN 343.A NE2 GLU 395.A OE1 no hydrogen 2.852 N/A LEU 345.A N LEU 337.A O no hydrogen 2.786 N/A ILE 348.A N THR 335.A O no hydrogen 2.687 N/A ASN 353.A N ASN 330.A O no hydrogen 2.749 N/A GLN 354.A N LYS 351.A O no hydrogen 3.076 N/A SER 356.A N TYR 365.A OH no hydrogen 2.861 N/A SER 356.A OG TYR 365.A OH no hydrogen 2.913 N/A GLN 357.A NE2 SER 367.A OG no hydrogen 3.203 N/A LEU 359.A N ILE 328.A O no hydrogen 2.928 N/A ASN 363.A N ASN 322.A O no hydrogen 3.408 N/A TYR 364.A N ASN 363.A OD1 no hydrogen 2.692 N/A TYR 365.A N TYR 320.A O no hydrogen 2.905 N/A SER 367.A OG GLN 357.A OE1 no hydrogen 3.061 N/A LEU 370.A N SER 367.A O no hydrogen 2.896 N/A ILE 373.A N ILE 318.A O no hydrogen 2.972 N/A LEU 375.A N ALA 316.A O no hydrogen 2.859 N/A ASN 376.A ND2 THR 384.A O no hydrogen 3.165 N/A SER 382.A N ASP 380.A OD2 no hydrogen 3.315 N/A SER 383.A OG LEU 375.A O no hydrogen 3.008 N/A MET 388.A N ALA 312.A O no hydrogen 2.813 N/A ASN 389.A N GLN 392.A OE1 no hydrogen 2.957 N/A GLN 392.A N ASN 389.A OD1 no hydrogen 2.855 N/A GLN 392.A NE2 GLN 343.A OE1 no hydrogen 3.117 N/A PHE 393.A N ASN 389.A O no hydrogen 2.957 N/A LEU 394.A N TYR 390.A O no hydrogen 3.041 N/A GLU 395.A N ASN 391.A O no hydrogen 2.996 N/A LEU 396.A N GLN 392.A O no hydrogen 2.886 N/A GLU 397.A N PHE 393.A O no hydrogen 3.042 N/A LYS 398.A N LEU 394.A O no hydrogen 2.963 N/A THR 399.A N GLU 395.A O no hydrogen 2.999 N/A THR 399.A OG1 GLU 395.A O no hydrogen 2.939 N/A LYS 400.A N LEU 396.A O no hydrogen 2.702 N/A LYS 400.A NZ GLU 397.A O no hydrogen 2.794 N/A LYS 400.A NZ ILE 662.A O no hydrogen 2.908 N/A LEU 402.A N VAL 288.A O no hydrogen 3.066 N/A ARG 403.A N VAL 338.A O no hydrogen 2.988 N/A ARG 403.A NH1 ASP 405.A OD2 no hydrogen 2.780 N/A ARG 403.A NH2 LYS 341.A O no hydrogen 2.687 N/A LEU 404.A N SER 286.A O no hydrogen 2.871 N/A ASP 405.A N SER 336.A O no hydrogen 2.867 N/A THR 406.A N ASN 284.A O no hydrogen 2.991 N/A THR 406.A OG1 THR 335.A OG1 no hydrogen 2.769 N/A ASP 407.A N THR 334.A O no hydrogen 2.873 N/A VAL 409.A N ASP 407.A OD1 no hydrogen 3.016 N/A ASN 412.A N ASN 330.A OD1 no hydrogen 3.171 N/A ASN 412.A ND2 ASP 426.A O no hydrogen 3.503 N/A ASN 412.A ND2 SER 429.A O no hydrogen 3.173 N/A ILE 413.A N SER 429.A O no hydrogen 2.942 N/A THR 415.A N ARG 424.A O no hydrogen 3.222 N/A ASN 417.A N ARG 422.A O no hydrogen 2.766 N/A GLU 419.A N ASN 417.A OD1 no hydrogen 3.155 N/A ASN 420.A N ASN 417.A O no hydrogen 3.180 N/A GLY 421.A N ASN 417.A O no hydrogen 2.734 N/A ARG 422.A N ASN 420.A OD1 no hydrogen 3.088 N/A ARG 424.A N THR 415.A O no hydrogen 3.218 N/A ARG 424.A NH1 VAL 423.A O no hydrogen 3.336 N/A ASP 426.A N ILE 413.A O no hydrogen 2.860 N/A GLY 428.A N ASP 426.A OD1 no hydrogen 2.755 N/A SER 429.A N ASP 426.A O no hydrogen 2.952 N/A SER 429.A OG ASP 426.A OD2 no hydrogen 2.657 N/A TRP 431.A N GLY 411.A O no hydrogen 2.864 N/A SER 432.A N ASN 430.A OD1 no hydrogen 2.818 N/A SER 432.A OG ASN 430.A OD1 no hydrogen 3.244 N/A GLU 433.A N ASN 430.A O no hydrogen 2.894 N/A VAL 434.A N TRP 431.A O no hydrogen 2.947 N/A LEU 435.A N TRP 431.A O no hydrogen 3.122 N/A GLN 437.A N VAL 434.A O no hydrogen 3.080 N/A GLN 437.A NE2 GLU 433.A O no hydrogen 2.919 N/A ILE 438.A N VAL 434.A O no hydrogen 3.023 N/A GLN 439.A N LEU 435.A O no hydrogen 2.891 N/A GLN 439.A NE2 GLN 408.A OE1 no hydrogen 2.884 N/A GLU 440.A N PRO 436.A O no hydrogen 3.131 N/A THR 441.A N GLN 437.A O no hydrogen 3.192 N/A THR 441.A N ILE 438.A O no hydrogen 3.392 N/A THR 441.A OG1 SER 205.A OG no hydrogen 3.172 N/A THR 441.A OG1 GLN 437.A O no hydrogen 3.029 N/A THR 442.A OG1 ILE 438.A O no hydrogen 2.882 N/A ALA 443.A N ILE 459.A O no hydrogen 2.953 N/A ARG 444.A N MET 541.A O no hydrogen 2.908 N/A ARG 444.A NE ASN 542.A OD1 no hydrogen 2.857 N/A ARG 444.A NH1 SER 281.A O no hydrogen 3.015 N/A ARG 444.A NH1 GLU 456.A OE1 no hydrogen 3.144 N/A ARG 444.A NH2 GLY 279.A O no hydrogen 3.023 N/A ARG 444.A NH2 SER 281.A O no hydrogen 2.912 N/A ARG 444.A NH2 ASN 542.A OD1 no hydrogen 3.140 N/A ILE 445.A N ARG 457.A O no hydrogen 2.877 N/A ILE 446.A N ILE 543.A O no hydrogen 2.805 N/A PHE 447.A N VAL 455.A O no hydrogen 2.881 N/A ASN 448.A N ILE 545.A O no hydrogen 3.176 N/A ASN 448.A ND2 TYR 552.A OH no hydrogen 2.960 N/A LEU 452.A N ASN 448.A O no hydrogen 2.925 N/A VAL 455.A N PHE 447.A O no hydrogen 3.038 N/A ARG 457.A N ILE 445.A O no hydrogen 2.776 N/A ARG 457.A NE GLU 225.A OE2 no hydrogen 2.663 N/A ARG 457.A NH1 THR 323.A O no hydrogen 2.945 N/A ARG 457.A NH1 GLU 456.A O no hydrogen 2.820 N/A ARG 457.A NH2 GLU 225.A OE2 no hydrogen 2.998 N/A ARG 458.A NH1 THR 442.A OG1 no hydrogen 2.949 N/A ILE 459.A N ALA 443.A O no hydrogen 2.905 N/A ALA 460.A N LEU 230.A O no hydrogen 2.777 N/A ALA 461.A N THR 441.A O no hydrogen 3.347 N/A SER 465.A N ASN 463.A OD1 no hydrogen 2.888 N/A SER 465.A OG ASN 463.A OD1 no hydrogen 2.983 N/A ASP 466.A N ASN 463.A O no hydrogen 3.240 N/A GLU 469.A N ASP 466.A OD2 no hydrogen 3.040 N/A THR 470.A N ASP 466.A O no hydrogen 3.163 N/A THR 470.A N PRO 467.A O no hydrogen 2.917 N/A THR 471.A N LEU 468.A O no hydrogen 2.935 N/A THR 471.A OG1 SER 197.A OG no hydrogen 2.687 N/A THR 471.A OG1 LEU 468.A O no hydrogen 2.625 N/A LYS 472.A N GLU 469.A O no hydrogen 3.223 N/A LYS 472.A NZ ALA 461.A O no hydrogen 2.640 N/A LYS 472.A NZ GLU 469.A OE1 no hydrogen 2.681 N/A LEU 477.A N ILE 535.A O no hydrogen 2.893 N/A LYS 478.A N LEU 532.A O no hydrogen 3.251 N/A LYS 478.A NZ GLU 489.A OE1 no hydrogen 2.766 N/A LYS 478.A NZ GLU 489.A OE2 no hydrogen 3.371 N/A GLU 479.A N THR 476.A OG1 no hydrogen 3.109 N/A ALA 480.A N THR 476.A O no hydrogen 2.861 N/A LEU 481.A N LEU 477.A O no hydrogen 3.100 N/A LYS 482.A N LYS 478.A O no hydrogen 3.112 N/A LYS 482.A NZ GLU 489.A OE2 no hydrogen 3.293 N/A ILE 483.A N GLU 479.A O no hydrogen 2.930 N/A ALA 484.A N ALA 480.A O no hydrogen 2.873 N/A PHE 485.A N LEU 481.A O no hydrogen 3.109 N/A GLY 486.A N LYS 482.A O no hydrogen 2.942 N/A PHE 487.A N LEU 481.A O no hydrogen 3.242 N/A ASN 488.A N GLN 495.A O no hydrogen 2.827 N/A GLN 495.A N ASN 488.A O no hydrogen 2.750 N/A TYR 496.A N LYS 499.A O no hydrogen 2.791 N/A LYS 499.A N TYR 496.A O no hydrogen 2.848 N/A LYS 499.A NZ GLU 503.A OE1 no hydrogen 2.800 N/A ASP 500.A N GLU 503.A OE2 no hydrogen 2.996 N/A ILE 501.A N LEU 494.A O no hydrogen 2.927 N/A THR 502.A N ASP 500.A OD2 no hydrogen 3.234 N/A THR 502.A OG1 ASP 500.A OD2 no hydrogen 2.664 N/A GLU 503.A N ASP 500.A O no hydrogen 2.879 N/A PHE 504.A N ILE 501.A O no hydrogen 2.944 N/A ASP 505.A N ARG 546.A O no hydrogen 2.950 N/A ASN 507.A N LEU 544.A O no hydrogen 2.895 N/A THR 512.A N ASP 509.A OD1 no hydrogen 2.800 N/A THR 512.A OG1 ASP 509.A OD1 no hydrogen 3.027 N/A THR 512.A OG1 ASP 509.A OD2 no hydrogen 3.312 N/A SER 513.A N ASP 509.A O no hydrogen 2.900 N/A GLN 514.A N GLN 510.A O no hydrogen 3.077 N/A GLN 514.A NE2 ASN 518.A OD1 no hydrogen 3.070 N/A ASN 515.A N GLN 511.A O no hydrogen 2.921 N/A ASN 515.A ND2 ASN 538.A OD1 no hydrogen 3.266 N/A ILE 516.A N THR 512.A O no hydrogen 2.778 N/A LYS 517.A N SER 513.A O no hydrogen 2.940 N/A ASN 518.A N GLN 514.A O no hydrogen 3.050 N/A GLN 519.A N ASN 515.A O no hydrogen 3.050 N/A GLN 519.A NE2 ASN 515.A OD1 no hydrogen 2.810 N/A GLN 519.A NE2 LYS 536.A O no hydrogen 2.709 N/A LEU 520.A N ILE 516.A O no hydrogen 3.003 N/A ALA 521.A N LYS 517.A O no hydrogen 3.040 N/A GLU 522.A N ASN 518.A O no hydrogen 2.937 N/A LEU 523.A N GLN 519.A O no hydrogen 2.987 N/A ASN 524.A N ALA 521.A O no hydrogen 3.012 N/A ALA 525.A N LEU 520.A O no hydrogen 2.897 N/A TYR 529.A N ASN 527.A OD1 no hydrogen 3.020 N/A TYR 529.A OH PHE 504.A O no hydrogen 2.655 N/A THR 530.A N ASN 527.A O no hydrogen 3.096 N/A THR 530.A OG1 ASN 527.A O no hydrogen 3.022 N/A VAL 531.A N ILE 528.A O no hydrogen 3.102 N/A LYS 534.A N VAL 531.A O no hydrogen 3.022 N/A ILE 535.A N VAL 531.A O no hydrogen 3.192 N/A ILE 535.A N LEU 532.A O no hydrogen 3.396 N/A LYS 536.A N GLN 519.A OE1 no hydrogen 2.829 N/A LYS 536.A NZ ASP 474.A OD2 no hydrogen 3.465 N/A LEU 537.A N MET 475.A O no hydrogen 2.760 N/A ASN 538.A ND2 LEU 537.A O no hydrogen 2.968 N/A ALA 539.A N VAL 462.A O no hydrogen 2.988 N/A LYS 540.A N THR 442.A O no hydrogen 2.876 N/A LYS 540.A NZ GLU 440.A OE2 no hydrogen 3.058 N/A MET 541.A N ASN 538.A O no hydrogen 3.191 N/A ASN 542.A N THR 512.A OG1 no hydrogen 3.248 N/A ASN 542.A ND2 ASP 509.A OD2 no hydrogen 2.836 N/A ILE 543.A N ARG 444.A O no hydrogen 2.781 N/A LEU 544.A N ASN 507.A O no hydrogen 2.794 N/A ILE 545.A N ILE 446.A O no hydrogen 2.760 N/A ARG 546.A N ASP 505.A OD1 no hydrogen 2.967 N/A ARG 546.A NE ASP 505.A OD1 no hydrogen 3.541 N/A ARG 546.A NE ASP 505.A OD2 no hydrogen 3.344 N/A ARG 546.A NH1 ASN 556.A OD1 no hydrogen 3.080 N/A ARG 546.A NH2 ASP 505.A OD2 no hydrogen 2.906 N/A ASP 547.A N ASN 448.A OD1 no hydrogen 2.839 N/A LYS 548.A N GLU 503.A O no hydrogen 3.016 N/A LYS 548.A NZ THR 502.A O no hydrogen 2.698 N/A LYS 548.A NZ TYR 529.A OH no hydrogen 3.150 N/A ARG 549.A N ASP 547.A OD1 no hydrogen 2.880 N/A ARG 549.A NE ASP 547.A OD1 no hydrogen 3.275 N/A ARG 549.A NE ASP 547.A OD2 no hydrogen 3.339 N/A ARG 549.A NH1 ASP 547.A OD2 no hydrogen 2.806 N/A ARG 549.A NH1 ASP 588.A OD2 no hydrogen 2.843 N/A ARG 549.A NH2 ASP 586.A OD2 no hydrogen 3.352 N/A HIS 551.A N GLY 560.A O no hydrogen 2.878 N/A HIS 551.A ND1 GLU 658.A OE2 no hydrogen 2.714 N/A HIS 551.A NE2 ASP 562.A OD1 no hydrogen 2.963 N/A TYR 552.A OH ASP 547.A O no hydrogen 2.623 N/A ASP 553.A N ILE 557.A O no hydrogen 3.090 N/A ASN 555.A N ASP 553.A OD1 no hydrogen 2.814 N/A ASN 556.A N ASP 553.A O no hydrogen 2.896 N/A ASN 556.A ND2 HIS 274.A O no hydrogen 2.753 N/A ILE 557.A N ASP 553.A OD1 no hydrogen 3.012 N/A VAL 559.A N HIS 551.A O no hydrogen 2.849 N/A VAL 566.A N ASP 562.A O no hydrogen 2.944 N/A LYS 567.A N GLU 563.A O no hydrogen 2.905 N/A LYS 567.A NZ LEU 679.A O no hydrogen 3.098 N/A GLU 568.A N SER 564.A O no hydrogen 2.967 N/A ALA 569.A N VAL 565.A O no hydrogen 2.902 N/A HIS 570.A N LYS 567.A O no hydrogen 3.005 N/A HIS 570.A ND1 VAL 566.A O no hydrogen 2.835 N/A HIS 570.A NE2 TYR 596.A OH no hydrogen 2.881 N/A ARG 571.A N GLU 568.A O no hydrogen 3.173 N/A ILE 574.A N LEU 582.A O no hydrogen 2.890 N/A ASN 575.A N LEU 582.A O no hydrogen 3.342 N/A SER 577.A N GLY 580.A O no hydrogen 3.053 N/A GLU 579.A N SER 577.A OG no hydrogen 2.982 N/A GLY 580.A N SER 577.A O no hydrogen 3.179 N/A LEU 581.A N ILE 630.A O no hydrogen 2.908 N/A LEU 582.A N ASN 575.A O no hydrogen 2.904 N/A LEU 583.A N THR 628.A O no hydrogen 2.872 N/A ASP 588.A N ASP 586.A OD1 no hydrogen 2.827 N/A ARG 590.A N ASP 586.A O no hydrogen 3.173 N/A LYS 591.A N ASP 588.A O no hydrogen 3.250 N/A LYS 591.A NZ ASP 451.A O no hydrogen 3.159 N/A LYS 591.A NZ ASN 453.A OD1 no hydrogen 3.087 N/A ILE 592.A N ILE 589.A O no hydrogen 2.932 N/A LEU 593.A N ARG 590.A O no hydrogen 3.397 N/A SER 594.A N VAL 655.A O no hydrogen 2.856 N/A SER 594.A OG VAL 655.A O no hydrogen 3.532 N/A SER 594.A OG THR 660.A OG1 no hydrogen 2.411 N/A TYR 596.A N LEU 617.A O no hydrogen 3.049 N/A TYR 596.A OH HIS 570.A NE2 no hydrogen 2.881 N/A ILE 597.A N TYR 653.A O no hydrogen 2.880 N/A VAL 598.A N ASN 611.A OD1 no hydrogen 3.031 N/A GLU 599.A N ASN 651.A O no hydrogen 2.933 N/A ILE 600.A N GLU 608.A O no hydrogen 2.864 N/A GLU 601.A N LYS 649.A O no hydrogen 2.871 N/A ASP 602.A N LEU 606.A O no hydrogen 2.869 N/A THR 603.A OG1 GLU 604.A OE2 no hydrogen 3.425 N/A GLY 605.A N ASP 602.A O no hydrogen 3.221 N/A GLY 605.A N ASP 602.A OD1 no hydrogen 3.110 N/A LEU 606.A N ASP 602.A OD1 no hydrogen 3.069 N/A GLU 608.A N ILE 600.A O no hydrogen 2.803 N/A ILE 610.A N VAL 598.A O no hydrogen 2.876 N/A ASN 611.A ND2 TYR 596.A O no hydrogen 2.940 N/A ASN 611.A ND2 MET 616.A O no hydrogen 2.947 N/A ARG 613.A N ASN 611.A O no hydrogen 3.041 N/A ARG 613.A NE ASP 615.A OD1 no hydrogen 2.884 N/A ARG 613.A NH2 ASP 615.A OD2 no hydrogen 2.962 N/A TYR 614.A N THR 670.A O no hydrogen 2.950 N/A MET 616.A N ARG 613.A O no hydrogen 2.930 N/A ILE 619.A N LEU 617.A O no hydrogen 2.753 N/A SER 621.A N PHE 629.A O no hydrogen 3.063 N/A ARG 623.A N LYS 627.A O no hydrogen 2.790 N/A ARG 623.A NE ASP 625.A OD1 no hydrogen 3.140 N/A GLY 626.A N ARG 623.A O no hydrogen 2.866 N/A LYS 627.A N ASP 625.A OD1 no hydrogen 3.157 N/A LYS 627.A NZ ASN 584.A OD1 no hydrogen 3.155 N/A THR 628.A N LEU 583.A O no hydrogen 2.974 N/A PHE 629.A N SER 621.A O no hydrogen 3.024 N/A ILE 630.A N LEU 581.A O no hydrogen 2.769 N/A ASP 631.A N ILE 619.A O no hydrogen 2.918 N/A PHE 632.A N GLU 579.A O no hydrogen 2.873 N/A LYS 633.A NZ GLU 579.A OE1 no hydrogen 3.449 N/A LYS 634.A N ASP 631.A OD1 no hydrogen 2.880 N/A LYS 634.A NZ ASN 618.A O no hydrogen 3.029 N/A TYR 635.A OH ASN 618.A OD1 no hydrogen 2.916 N/A ASN 636.A N LYS 633.A O no hydrogen 2.923 N/A ASN 636.A ND2 LEU 639.A O no hydrogen 2.884 N/A ASN 636.A ND2 PRO 640.A O no hydrogen 3.154 N/A LYS 638.A N LYS 633.A O no hydrogen 3.036 N/A LEU 639.A N ASN 636.A O no hydrogen 3.042 N/A LEU 641.A N THR 578.A O no hydrogen 2.800 N/A ASN 647.A N ASN 645.A OD1 no hydrogen 2.907 N/A ASN 647.A ND2 ASN 645.A OD1 no hydrogen 3.678 N/A TYR 648.A N ASN 645.A O no hydrogen 2.706 N/A LYS 649.A N GLU 601.A O no hydrogen 2.974 N/A VAL 650.A N LYS 683.A O no hydrogen 2.956 N/A ASN 651.A N GLU 599.A O no hydrogen 2.868 N/A VAL 652.A N PHE 681.A O no hydrogen 2.915 N/A TYR 653.A N ILE 597.A O no hydrogen 2.852 N/A TYR 653.A OH GLU 599.A OE1 no hydrogen 2.464 N/A ALA 654.A N ILE 678.A O no hydrogen 2.748 N/A VAL 655.A N GLY 595.A O no hydrogen 2.976 N/A LYS 657.A N ILE 592.A O no hydrogen 2.863 N/A GLU 658.A N VAL 559.A O no hydrogen 2.792 N/A ASN 659.A N THR 656.A O no hydrogen 2.942 N/A THR 660.A N LYS 657.A O no hydrogen 3.244 N/A THR 660.A OG1 SER 594.A OG no hydrogen 2.411 N/A THR 660.A OG1 THR 656.A O no hydrogen 2.850 N/A ASN 663.A ND2 GLU 397.A O no hydrogen 3.508 N/A SER 665.A N ASP 669.A O no hydrogen 3.196 N/A SER 665.A OG ASN 667.A OD1 no hydrogen 2.690 N/A SER 665.A OG ASP 669.A O no hydrogen 3.372 N/A GLY 668.A N SER 665.A O no hydrogen 2.926 N/A ASP 669.A N ASN 667.A OD1 no hydrogen 2.959 N/A THR 670.A OG1 GLU 297.A OE2 no hydrogen 3.213 N/A SER 671.A N ASP 669.A OD1 no hydrogen 3.079 N/A SER 671.A OG ASP 669.A OD1 no hydrogen 2.948 N/A SER 671.A OG ASP 669.A OD2 no hydrogen 2.714 N/A THR 672.A N ASP 612.A OD1 no hydrogen 3.029 N/A THR 672.A OG1 ASP 612.A OD1 no hydrogen 2.628 N/A ASN 673.A N SER 671.A OG no hydrogen 3.347 N/A ILE 675.A N THR 672.A O no hydrogen 2.877 N/A ILE 678.A N ALA 654.A O no hydrogen 2.877 N/A ILE 680.A N VAL 652.A O no hydrogen 2.909 N/A PHE 681.A N VAL 652.A O no hydrogen 3.342 N/A LYS 683.A N VAL 650.A O no hydrogen 3.204 N/A LYS 684.A N GLU 687.A OE1 no hydrogen 2.954 N/A GLY 685.A N TYR 648.A O no hydrogen 2.938 N/A TYR 686.A N PRO 646.A O no hydrogen 3.138 N/A GLU 687.A N LYS 684.A O no hydrogen 2.884 N/A ILE 688.A N GLY 685.A O no hydrogen 3.110 N/A