Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 TYR 8.A O no hydrogen 2.862 N/A TRP 13.A N VAL 10.A O no hydrogen 2.970 N/A LEU 14.A N VAL 10.A O no hydrogen 2.939 N/A GLN 15.A N LYS 11.A O no hydrogen 3.118 N/A GLN 15.A NE2 PRO 78.A O no hydrogen 2.964 N/A LYS 17.A N GLN 15.A OE1 no hydrogen 2.974 N/A LYS 17.A NZ GLY 79.A O no hydrogen 2.710 N/A ARG 18.A N GLN 15.A O no hydrogen 2.951 N/A ARG 18.A NE ASP 31.A OD1 no hydrogen 2.841 N/A ARG 18.A NE ASP 31.A OD2 no hydrogen 3.324 N/A ARG 18.A NH1 LYS 11.A O no hydrogen 2.947 N/A ARG 18.A NH2 ASP 31.A OD2 no hydrogen 2.846 N/A LYS 20.A N PRO 16.A O no hydrogen 2.892 N/A ALA 21.A N LYS 17.A O no hydrogen 3.069 N/A HIS 22.A N ARG 18.A O no hydrogen 3.072 N/A HIS 22.A ND1 GLU 12.A OE2 no hydrogen 2.887 N/A LEU 23.A N TYR 19.A O no hydrogen 2.741 N/A MET 24.A N LYS 20.A O no hydrogen 3.065 N/A MET 24.A N ALA 21.A O no hydrogen 2.972 N/A GLY 25.A N HIS 22.A O no hydrogen 2.921 N/A THR 26.A N ALA 21.A O no hydrogen 3.131 N/A THR 26.A OG1 THR 250.A O no hydrogen 3.165 N/A THR 26.A OG1 THR 250.A OG1 no hydrogen 2.734 N/A THR 27.A N ASP 317.A OD2 no hydrogen 3.018 N/A THR 27.A OG1 ASP 317.A OD2 no hydrogen 2.606 N/A TYR 30.A OH GLU 62.A OE2 no hydrogen 2.433 N/A ASP 31.A N TYR 28.A O no hydrogen 2.942 N/A PHE 32.A N VAL 29.A O no hydrogen 3.162 N/A LEU 35.A N ASP 31.A O no hydrogen 3.425 N/A PHE 36.A N PHE 32.A O no hydrogen 3.037 N/A ARG 37.A N PRO 33.A O no hydrogen 2.759 N/A ARG 37.A NE GLU 34.A OE1 no hydrogen 2.796 N/A ARG 37.A NH2 GLU 34.A OE2 no hydrogen 2.889 N/A GLN 38.A N GLU 34.A O no hydrogen 2.800 N/A GLN 38.A NE2 GLU 34.A OE2 no hydrogen 2.670 N/A ALA 39.A N LEU 35.A O no hydrogen 2.777 N/A SER 40.A N PHE 36.A O no hydrogen 2.943 N/A SER 40.A OG PHE 36.A O no hydrogen 2.673 N/A SER 41.A N ARG 37.A O no hydrogen 2.949 N/A SER 42.A N GLN 38.A O no hydrogen 3.008 N/A SER 42.A OG GLN 38.A O no hydrogen 3.193 N/A GLN 43.A N ALA 39.A O no hydrogen 3.174 N/A TRP 44.A N SER 40.A O no hydrogen 3.312 N/A TRP 44.A NE1 LYS 93.A O no hydrogen 2.911 N/A LYS 45.A N SER 41.A O no hydrogen 3.086 N/A ASN 46.A N SER 42.A O no hydrogen 2.953 N/A PHE 47.A N TRP 44.A O no hydrogen 3.003 N/A SER 48.A N TRP 44.A O no hydrogen 2.815 N/A VAL 51.A N SER 48.A O no hydrogen 3.096 N/A THR 54.A OG1 ASP 56.A OD1 no hydrogen 2.440 N/A PHE 57.A N THR 54.A O no hydrogen 3.065 N/A PHE 58.A N ASP 55.A O no hydrogen 3.379 N/A ILE 59.A N THR 91.A O no hydrogen 3.111 N/A ASN 61.A N LYS 89.A O no hydrogen 2.944 N/A LEU 63.A N ALA 87.A O no hydrogen 2.766 N/A ILE 64.A N THR 72.A O no hydrogen 2.769 N/A ASP 66.A N GLU 70.A O no hydrogen 2.749 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 3.319 N/A GLY 69.A N ASP 66.A O no hydrogen 2.980 N/A GLU 70.A N ASP 66.A OD2 no hydrogen 2.932 N/A THR 72.A N ILE 64.A O no hydrogen 2.600 N/A THR 72.A OG1 ILE 64.A O no hydrogen 3.342 N/A VAL 74.A N GLU 62.A O no hydrogen 2.822 N/A ARG 76.A NE GLU 62.A OE1 no hydrogen 3.061 N/A ARG 76.A NH2 GLU 62.A OE2 no hydrogen 2.990 N/A GLY 84.A N GLU 121.A OE1 no hydrogen 2.919 N/A VAL 86.A N ALA 107.A O no hydrogen 2.945 N/A PHE 88.A N VAL 105.A O no hydrogen 2.925 N/A LYS 89.A N ASN 61.A O no hydrogen 2.790 N/A LYS 89.A NZ TYR 131.A OH no hydrogen 2.716 N/A ILE 90.A N PHE 103.A O no hydrogen 3.004 N/A THR 91.A N ILE 59.A O no hydrogen 3.058 N/A THR 91.A OG1 GLN 102.A OE1 no hydrogen 3.086 N/A VAL 92.A N ARG 101.A O no hydrogen 2.917 N/A LYS 93.A N PHE 57.A O no hydrogen 2.948 N/A THR 94.A N TYR 97.A O no hydrogen 2.868 N/A THR 94.A OG1 GLU 96.A OE1 no hydrogen 2.969 N/A TYR 97.A N THR 94.A OG1 no hydrogen 2.944 N/A GLY 100.A N TYR 97.A O no hydrogen 2.756 N/A ARG 101.A N VAL 92.A O no hydrogen 2.798 N/A ARG 101.A NH1 MET 328.A O no hydrogen 2.822 N/A ARG 101.A NH1 VAL 331.A O no hydrogen 3.400 N/A ARG 101.A NH2 VAL 331.A O no hydrogen 3.066 N/A PHE 103.A N ILE 90.A O no hydrogen 3.033 N/A VAL 104.A N PRO 138.A O no hydrogen 3.148 N/A VAL 105.A N PHE 88.A O no hydrogen 2.898 N/A VAL 106.A N ILE 140.A O no hydrogen 2.875 N/A ALA 107.A N VAL 86.A O no hydrogen 2.953 N/A ASN 108.A ND2 TYR 141.A OH no hydrogen 2.541 N/A ASP 109.A N GLY 84.A O no hydrogen 2.988 N/A THR 111.A N ASP 109.A OD2 no hydrogen 3.090 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 3.203 N/A THR 111.A OG1 ASP 109.A OD2 no hydrogen 2.533 N/A PHE 112.A N ASP 109.A O no hydrogen 3.052 N/A GLY 115.A N PHE 112.A O no hydrogen 2.904 N/A SER 116.A N LYS 113.A O no hydrogen 3.111 N/A SER 116.A OG LYS 113.A O no hydrogen 2.795 N/A PHE 117.A N GLY 147.A O no hydrogen 2.760 N/A GLY 118.A N GLU 121.A OE2 no hydrogen 2.837 N/A ASP 122.A N GLY 118.A O no hydrogen 3.056 N/A GLU 123.A N PRO 119.A O no hydrogen 2.888 N/A PHE 124.A N GLN 120.A O no hydrogen 2.973 N/A PHE 125.A N GLU 121.A O no hydrogen 2.928 N/A ASN 126.A N ASP 122.A O no hydrogen 3.033 N/A LYS 127.A N GLU 123.A O no hydrogen 3.068 N/A LYS 127.A NZ GLU 70.A OE2 no hydrogen 2.658 N/A VAL 128.A N PHE 124.A O no hydrogen 2.855 N/A THR 129.A N PHE 125.A O no hydrogen 2.940 N/A THR 129.A OG1 PHE 125.A O no hydrogen 2.926 N/A GLU 130.A N ASN 126.A O no hydrogen 3.089 N/A TYR 131.A N LYS 127.A O no hydrogen 3.001 N/A ALA 132.A N VAL 128.A O no hydrogen 3.148 N/A ARG 133.A N THR 129.A O no hydrogen 3.043 N/A ARG 133.A NE ASP 242.A OD1 no hydrogen 2.853 N/A ARG 133.A NH2 ASP 242.A OD1 no hydrogen 2.927 N/A LYS 134.A N GLU 130.A O no hydrogen 2.810 N/A ARG 135.A N TYR 131.A O no hydrogen 3.173 N/A ARG 135.A NH1 TYR 131.A O no hydrogen 2.882 N/A GLY 136.A N ARG 133.A O no hydrogen 3.346 N/A ILE 137.A N ALA 132.A O no hydrogen 3.042 N/A ARG 139.A N PHE 244.A O no hydrogen 2.969 N/A ARG 139.A NE ARG 139.A O no hydrogen 2.934 N/A ARG 139.A NH2 ILE 246.A O no hydrogen 3.168 N/A ILE 140.A N VAL 104.A O no hydrogen 2.966 N/A TYR 141.A N ILE 246.A O no hydrogen 2.845 N/A LEU 142.A N VAL 106.A O no hydrogen 2.781 N/A ALA 143.A N LEU 248.A O no hydrogen 2.824 N/A ASN 145.A N ARG 252.A O no hydrogen 2.865 N/A SER 146.A OG ILE 114.A O no hydrogen 2.610 N/A ARG 149.A N PHE 117.A O no hydrogen 2.944 N/A ARG 149.A NE SER 116.A OG no hydrogen 2.812 N/A ARG 149.A NH2 SER 116.A O no hydrogen 3.559 N/A ARG 149.A NH2 SER 116.A OG no hydrogen 3.331 N/A ARG 149.A NH2 GLU 121.A OE1 no hydrogen 3.104 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.697 N/A ILE 156.A N ALA 153.A O no hydrogen 3.237 N/A VAL 157.A N GLU 154.A O no hydrogen 2.879 N/A GLN 161.A N TYR 178.A O no hydrogen 2.813 N/A ALA 163.A N TYR 176.A O no hydrogen 3.184 N/A ASN 165.A ND2 LYS 172.A O no hydrogen 2.627 N/A ASN 169.A N ASP 166.A O no hydrogen 2.820 N/A GLY 173.A N PRO 170.A O no hydrogen 3.077 N/A GLN 175.A N ALA 163.A O no hydrogen 2.848 N/A TYR 178.A N GLN 161.A O no hydrogen 2.731 N/A LEU 179.A N PHE 209.A O no hydrogen 2.547 N/A SER 181.A OG GLU 207.A OE2 no hydrogen 3.156 N/A GLU 182.A N THR 180.A OG1 no hydrogen 3.064 N/A GLY 183.A N THR 180.A OG1 no hydrogen 3.273 N/A MET 184.A N THR 180.A O no hydrogen 2.881 N/A THR 186.A N GLU 182.A O no hydrogen 2.838 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.345 N/A THR 186.A OG1 GLU 182.A OE1 no hydrogen 3.434 N/A LEU 187.A N GLY 183.A O no hydrogen 3.008 N/A LYS 188.A N MET 184.A O no hydrogen 3.068 N/A LYS 189.A N GLU 185.A O no hydrogen 2.759 N/A PHE 190.A N THR 186.A O no hydrogen 3.345 N/A PHE 190.A N LEU 187.A O no hydrogen 3.004 N/A ASP 191.A N LYS 188.A O no hydrogen 3.273 N/A LYS 192.A N LEU 187.A O no hydrogen 2.978 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.807 N/A ASN 194.A ND2 ASP 191.A O no hydrogen 3.125 N/A SER 195.A N LYS 192.A O no hydrogen 3.394 N/A SER 195.A OG GLU 155.A OE2 no hydrogen 2.798 N/A SER 195.A OG LYS 192.A O no hydrogen 3.241 N/A LEU 197.A N THR 213.A O no hydrogen 2.854 N/A GLU 199.A N VAL 210.A O no hydrogen 2.910 N/A ARG 200.A NH2 GLU 207.A OE1 no hydrogen 3.233 N/A THR 201.A N ARG 208.A O no hydrogen 3.064 N/A ILE 203.A N GLU 206.A O no hydrogen 3.099 N/A ARG 208.A NE TYR 176.A OH no hydrogen 3.347 N/A PHE 209.A N LEU 179.A O no hydrogen 2.729 N/A VAL 210.A N GLU 199.A O no hydrogen 2.843 N/A ILE 211.A N LEU 177.A O no hydrogen 2.898 N/A LYS 212.A N LEU 197.A O no hydrogen 2.726 N/A THR 213.A N LEU 197.A O no hydrogen 3.421 N/A THR 213.A OG1 LYS 212.A O no hydrogen 2.893 N/A ILE 215.A N SER 195.A O no hydrogen 3.003 N/A GLY 216.A N SER 195.A O no hydrogen 3.128 N/A SER 217.A N GLU 155.A OE2 no hydrogen 2.849 N/A SER 217.A OG GLU 155.A OE2 no hydrogen 3.249 N/A GLY 220.A N GLU 224.A OE1 no hydrogen 2.908 N/A LEU 221.A N GLU 224.A OE1 no hydrogen 3.170 N/A GLY 222.A N GLU 224.A OE2 no hydrogen 2.791 N/A GLU 224.A N GLU 224.A OE2 no hydrogen 2.787 N/A CYS 225.A N GLY 222.A O no hydrogen 2.714 N/A CYS 225.A SG ARG 149.A O no hydrogen 3.257 N/A LEU 226.A N GLY 222.A O no hydrogen 3.417 N/A ARG 227.A N VAL 223.A O no hydrogen 2.884 N/A GLY 228.A N GLU 224.A O no hydrogen 3.502 N/A SER 229.A N CYS 225.A O no hydrogen 3.030 N/A SER 229.A OG CYS 225.A O no hydrogen 3.082 N/A GLY 230.A N LEU 226.A O no hydrogen 3.014 N/A LEU 231.A N ARG 227.A O no hydrogen 3.015 N/A ILE 232.A N GLY 228.A O no hydrogen 3.129 N/A ALA 233.A N SER 229.A O no hydrogen 2.879 N/A GLY 234.A N GLY 230.A O no hydrogen 3.017 N/A ALA 235.A N LEU 231.A O no hydrogen 2.945 N/A THR 236.A N ILE 232.A O no hydrogen 2.997 N/A THR 236.A OG1 ILE 232.A O no hydrogen 2.814 N/A SER 237.A N ALA 233.A O no hydrogen 2.994 N/A ARG 238.A N GLY 234.A O no hydrogen 3.202 N/A ALA 239.A N ALA 235.A O no hydrogen 3.000 N/A TYR 240.A N THR 236.A O no hydrogen 3.169 N/A TYR 240.A OH ASP 459.A OD1 no hydrogen 2.555 N/A HIS 241.A N ARG 238.A O no hydrogen 3.081 N/A HIS 241.A ND1 ASN 462.A OD1 no hydrogen 3.039 N/A ASP 242.A N ALA 239.A O no hydrogen 2.686 N/A ILE 243.A N ALA 239.A O no hydrogen 2.843 N/A THR 245.A OG1 GLY 264.A O no hydrogen 2.646 N/A ILE 246.A N ARG 139.A O no hydrogen 3.131 N/A THR 247.A N ARG 266.A O no hydrogen 3.035 N/A LEU 248.A N TYR 141.A O no hydrogen 2.808 N/A VAL 249.A N ILE 268.A O no hydrogen 2.890 N/A THR 250.A N ALA 143.A O no hydrogen 3.053 N/A THR 250.A OG1 THR 26.A OG1 no hydrogen 2.734 N/A THR 250.A OG1 THR 250.A O no hydrogen 2.135 N/A THR 250.A OG1 ASP 317.A OD1 no hydrogen 2.593 N/A THR 250.A OG1 ASP 317.A OD2 no hydrogen 3.323 N/A CYS 251.A SG MET 24.A O no hydrogen 3.597 N/A ARG 252.A NE SER 146.A OG no hydrogen 2.862 N/A ARG 252.A NH2 SER 146.A OG no hydrogen 3.125 N/A SER 253.A N PRO 274.A O no hydrogen 2.812 N/A SER 253.A OG ASN 145.A OD1 no hydrogen 3.053 N/A GLY 255.A N ILE 276.A O no hydrogen 2.860 N/A GLY 257.A N VAL 254.A O no hydrogen 2.733 N/A ALA 258.A N GLY 255.A O no hydrogen 2.954 N/A TYR 259.A N GLY 255.A O no hydrogen 3.141 N/A LEU 260.A N ILE 256.A O no hydrogen 2.863 N/A VAL 261.A N GLY 257.A O no hydrogen 3.285 N/A ARG 262.A N ALA 258.A O no hydrogen 3.201 N/A LEU 263.A N TYR 259.A O no hydrogen 2.783 N/A GLY 264.A N LEU 260.A O no hydrogen 3.151 N/A GLN 265.A N ARG 262.A O no hydrogen 2.914 N/A ARG 266.A N GLY 264.A O no hydrogen 2.944 N/A ARG 266.A NE THR 245.A O no hydrogen 3.158 N/A ARG 266.A NH1 ASN 462.A O no hydrogen 2.953 N/A ARG 266.A NH1 GLU 464.A OE1 no hydrogen 3.497 N/A ARG 266.A NH2 THR 245.A O no hydrogen 3.465 N/A ILE 268.A N THR 247.A O no hydrogen 3.086 N/A GLN 269.A N LEU 312.A O no hydrogen 2.888 N/A VAL 270.A N VAL 249.A O no hydrogen 3.048 N/A GLU 271.A N ALA 314.A O no hydrogen 2.816 N/A GLN 273.A N VAL 270.A O no hydrogen 3.075 N/A GLN 273.A NE2 GLU 271.A O no hydrogen 3.025 N/A ILE 275.A N GLY 299.A O no hydrogen 2.853 N/A ILE 276.A N SER 253.A O no hydrogen 2.926 N/A ILE 283.A N GLY 279.A O no hydrogen 2.958 N/A ASN 284.A N ALA 280.A O no hydrogen 2.790 N/A ASN 284.A ND2 TYR 292.A O no hydrogen 2.792 N/A LYS 285.A N PRO 281.A O no hydrogen 2.641 N/A MET 286.A N ALA 282.A O no hydrogen 3.226 N/A MET 286.A N ILE 283.A O no hydrogen 2.878 N/A LEU 287.A N ILE 283.A O no hydrogen 3.131 N/A LEU 287.A N ASN 284.A O no hydrogen 2.734 N/A ARG 289.A N LEU 287.A O no hydrogen 2.613 N/A ARG 289.A NH2 PRO 428.A O no hydrogen 3.555 N/A TYR 292.A N ASN 284.A OD1 no hydrogen 2.993 N/A LEU 296.A N SER 294.A OG no hydrogen 3.204 N/A GLN 297.A N SER 294.A O no hydrogen 2.802 N/A LEU 298.A N ASN 295.A O no hydrogen 3.170 N/A GLY 299.A N ASN 295.A O no hydrogen 3.002 N/A GLY 300.A N LEU 296.A O no hydrogen 3.074 N/A ILE 303.A N GLY 300.A O no hydrogen 2.941 N/A MET 304.A N GLY 300.A O no hydrogen 2.948 N/A TYR 305.A N THR 301.A O no hydrogen 2.784 N/A TYR 305.A OH SER 392.A OG no hydrogen 2.700 N/A ASN 306.A N THR 301.A O no hydrogen 3.448 N/A ASN 307.A N ILE 303.A O no hydrogen 3.036 N/A SER 310.A N MET 304.A O no hydrogen 2.781 N/A HIS 311.A N ALA 267.A O no hydrogen 2.733 N/A HIS 311.A NE2 ASP 459.A OD2 no hydrogen 3.367 N/A LEU 312.A N ALA 267.A O no hydrogen 3.228 N/A ALA 314.A N GLN 269.A O no hydrogen 2.969 N/A ALA 319.A N ASP 316.A OD1 no hydrogen 2.956 N/A GLY 320.A N ASP 316.A O no hydrogen 3.159 N/A VAL 321.A N ASP 317.A O no hydrogen 2.964 N/A GLU 322.A N LEU 318.A O no hydrogen 2.936 N/A LYS 323.A N ALA 319.A O no hydrogen 2.855 N/A ILE 324.A N GLY 320.A O no hydrogen 2.960 N/A VAL 325.A N VAL 321.A O no hydrogen 3.011 N/A GLU 326.A N GLU 322.A O no hydrogen 2.994 N/A TRP 327.A N LYS 323.A O no hydrogen 2.867 N/A TRP 327.A NE1 GLU 464.A OE1 no hydrogen 3.098 N/A MET 328.A N ILE 324.A O no hydrogen 2.797 N/A SER 329.A N GLU 326.A O no hydrogen 3.124 N/A SER 329.A OG GLU 326.A O no hydrogen 2.706 N/A TYR 330.A N TRP 327.A O no hydrogen 3.412 N/A TYR 330.A OH SER 386.A O no hydrogen 2.667 N/A VAL 331.A N MET 328.A O no hydrogen 3.050 N/A ALA 333.A N TYR 97.A OH no hydrogen 3.019 N/A ARG 335.A N GLY 136.A O no hydrogen 2.818 N/A ARG 335.A NH1 ARG 133.A O no hydrogen 2.884 N/A ARG 335.A NH1 ASP 242.A O no hydrogen 3.349 N/A ARG 335.A NH1 ASP 242.A OD2 no hydrogen 3.074 N/A ARG 335.A NH2 ARG 133.A O no hydrogen 3.130 N/A ASN 336.A N GLN 465.A OE1 no hydrogen 2.742 N/A MET 337.A N LYS 334.A O no hydrogen 2.963 N/A LEU 342.A N GLY 407.A O no hydrogen 2.740 N/A ARG 350.A N TRP 348.A O no hydrogen 2.953 N/A ARG 350.A NE ASP 346.A OD1 no hydrogen 3.451 N/A ARG 350.A NE ASP 346.A OD2 no hydrogen 2.713 N/A ARG 350.A NH1 PRO 351.A O no hydrogen 3.052 N/A ARG 350.A NH1 GLY 380.A O no hydrogen 2.733 N/A ARG 350.A NH2 ASP 346.A OD1 no hydrogen 3.004 N/A ARG 350.A NH2 GLY 380.A O no hydrogen 3.018 N/A VAL 352.A N THR 614.A O no hydrogen 2.893 N/A ASP 353.A N TYR 379.A O no hydrogen 2.915 N/A PHE 354.A N TYR 379.A O no hydrogen 3.006 N/A THR 355.A OG1 ASP 353.A O no hydrogen 3.226 N/A GLU 360.A N THR 357.A OG1 no hydrogen 3.297 N/A ARG 365.A N ASP 363.A OD2 no hydrogen 2.917 N/A ARG 365.A NE GLU 389.A OE2 no hydrogen 2.974 N/A ARG 365.A NH1 ASP 363.A OD2 no hydrogen 2.980 N/A ARG 365.A NH1 GLU 416.A OE2 no hydrogen 3.086 N/A ARG 365.A NH2 GLU 389.A OE1 no hydrogen 2.977 N/A TRP 366.A N ASP 363.A O no hydrogen 2.909 N/A ILE 368.A N VAL 364.A O no hydrogen 3.235 N/A ILE 368.A N ARG 365.A O no hydrogen 3.095 N/A GLU 369.A N ARG 365.A O no hydrogen 2.903 N/A ARG 371.A N GLU 378.A O no hydrogen 2.742 N/A ARG 371.A NE GLU 378.A OE2 no hydrogen 3.202 N/A ARG 371.A NH2 GLU 378.A OE2 no hydrogen 3.005 N/A THR 373.A N GLY 376.A O no hydrogen 3.344 N/A THR 373.A OG1 GLY 376.A O no hydrogen 2.416 N/A GLY 376.A N THR 373.A O no hydrogen 3.347 N/A GLU 378.A N ARG 371.A O no hydrogen 2.698 N/A TYR 379.A N ASP 353.A OD2 no hydrogen 2.887 N/A LEU 381.A N MET 367.A O no hydrogen 2.755 N/A PHE 382.A N ILE 368.A O no hydrogen 2.733 N/A ASP 383.A N ARG 404.A O no hydrogen 2.818 N/A LYS 384.A N ASP 346.A OD1 no hydrogen 2.741 N/A SER 386.A N ASP 383.A O no hydrogen 3.019 N/A SER 386.A OG ASP 383.A O no hydrogen 2.633 N/A PHE 388.A N ARG 402.A O no hydrogen 2.715 N/A THR 390.A N VAL 400.A O no hydrogen 2.935 N/A LEU 391.A N HIS 311.A O no hydrogen 2.924 N/A SER 392.A OG TYR 305.A OH no hydrogen 2.700 N/A VAL 398.A N ALA 395.A O no hydrogen 3.209 N/A VAL 399.A N GLY 414.A O no hydrogen 2.838 N/A GLY 401.A N VAL 412.A O no hydrogen 3.092 N/A ARG 402.A N PHE 388.A O no hydrogen 2.992 N/A ARG 402.A NE GLU 464.A OE1 no hydrogen 3.304 N/A ARG 402.A NE GLU 464.A OE2 no hydrogen 2.547 N/A ARG 402.A NH1 THR 390.A OG1 no hydrogen 2.900 N/A ARG 402.A NH2 GLU 464.A OE1 no hydrogen 2.839 N/A ARG 402.A NH2 GLU 464.A OE2 no hydrogen 3.433 N/A ALA 403.A N LEU 410.A O no hydrogen 3.042 N/A ARG 404.A N SER 386.A OG no hydrogen 3.094 N/A ARG 404.A NH1.B PRO 340.A O no hydrogen 2.398 N/A ARG 404.A NH1.B GLY 407.A O no hydrogen 2.887 N/A ARG 404.A NH2.A SER 329.A O no hydrogen 3.514 N/A ARG 404.A NH2.B PRO 340.A O no hydrogen 3.110 N/A LEU 405.A N ILE 408.A O no hydrogen 2.958 N/A GLY 406.A N ASP 383.A OD2 no hydrogen 2.766 N/A GLY 407.A N ASP 383.A OD1 no hydrogen 2.754 N/A ILE 408.A N LEU 405.A O no hydrogen 3.110 N/A LEU 410.A N ALA 403.A O no hydrogen 3.107 N/A GLY 411.A N PRO 467.A O no hydrogen 3.020 N/A VAL 412.A N GLY 401.A O no hydrogen 2.780 N/A ILE 413.A N MET 469.A O no hydrogen 2.896 N/A GLY 414.A N VAL 399.A O no hydrogen 2.842 N/A GLU 416.A N GLY 397.A O no hydrogen 3.047 N/A ARG 418.A N GLU 416.A OE1 no hydrogen 3.346 N/A ARG 418.A NH1 GLU 416.A OE1 no hydrogen 2.884 N/A VAL 420.A N GLU 440.A O no hydrogen 2.838 N/A ASN 422.A N ILE 438.A O no hydrogen 2.683 N/A ASN 422.A ND2 GLU 440.A OE2 no hydrogen 3.003 N/A ILE 424.A N THR 436.A O no hydrogen 2.727 N/A ASP 427.A N SER 433.A OG no hydrogen 3.138 N/A ASN 430.A N ASP 427.A O no hydrogen 2.974 N/A SER 433.A N ASN 430.A O no hydrogen 3.081 N/A SER 433.A OG ASP 427.A O no hydrogen 3.010 N/A SER 433.A OG ASN 430.A O no hydrogen 2.809 N/A THR 436.A N ILE 424.A O no hydrogen 2.812 N/A THR 436.A OG1 ALA 434.A O no hydrogen 3.442 N/A ILE 438.A N ASN 422.A O no hydrogen 2.710 N/A GLU 440.A N VAL 420.A O no hydrogen 2.765 N/A GLN 443.A NE2 ASN 473.A OD1 no hydrogen 2.621 N/A TRP 445.A N GLY 476.A O no hydrogen 2.971 N/A TRP 445.A NE1 THR 453.A OG1 no hydrogen 3.077 N/A HIS 446.A N SER 449.A OG no hydrogen 2.828 N/A ASN 448.A ND2 GLU 440.A OE2 no hydrogen 3.021 N/A SER 449.A OG HIS 446.A O no hydrogen 3.452 N/A ALA 450.A N HIS 446.A O no hydrogen 2.956 N/A PHE 451.A N PRO 447.A O no hydrogen 3.086 N/A LYS 452.A N ASN 448.A O no hydrogen 2.883 N/A LYS 452.A NZ LEU 391.A O no hydrogen 2.657 N/A LYS 452.A NZ TRP 394.A O no hydrogen 2.825 N/A LYS 452.A NZ ALA 395.A O no hydrogen 3.494 N/A LYS 452.A NZ VAL 398.A O no hydrogen 2.814 N/A THR 453.A N SER 449.A O no hydrogen 2.953 N/A THR 453.A OG1 SER 449.A O no hydrogen 2.548 N/A ALA 454.A N ALA 450.A O no hydrogen 3.073 N/A GLN 455.A N PHE 451.A O no hydrogen 2.782 N/A ALA 456.A N LYS 452.A O no hydrogen 2.908 N/A ILE 457.A N THR 453.A O no hydrogen 3.070 N/A ASN 458.A N ALA 454.A O no hydrogen 2.884 N/A ASP 459.A N GLN 455.A O no hydrogen 2.841 N/A PHE 460.A N ALA 456.A O no hydrogen 2.865 N/A ASN 461.A N ILE 457.A O no hydrogen 3.150 N/A ASN 461.A ND2 ASP 501.A O no hydrogen 2.890 N/A ASN 462.A N ASN 458.A O no hydrogen 3.066 N/A ASN 462.A ND2 TYR 240.A OH no hydrogen 3.409 N/A ASN 462.A ND2 ASN 458.A O no hydrogen 2.799 N/A GLU 464.A N ASN 462.A O no hydrogen 2.853 N/A LEU 466.A N PHE 460.A O no hydrogen 3.053 N/A MET 468.A N PRO 505.A O no hydrogen 2.719 N/A MET 469.A N GLY 411.A O no hydrogen 2.773 N/A ILE 470.A N ILE 507.A O no hydrogen 2.831 N/A LEU 471.A N ILE 413.A O no hydrogen 2.771 N/A ALA 472.A N TYR 509.A O no hydrogen 3.137 N/A ARG 475.A N GLN 443.A O no hydrogen 2.508 N/A ARG 475.A NE GLU 547.A OE2 no hydrogen 2.693 N/A ARG 475.A NH2 GLU 547.A OE1 no hydrogen 2.926 N/A ARG 475.A NH2 GLU 547.A OE2 no hydrogen 3.341 N/A SER 478.A N TRP 445.A O no hydrogen 2.903 N/A SER 478.A OG ASP 483.A OD2 no hydrogen 2.432 N/A MET 484.A N GLY 480.A O no hydrogen 2.824 N/A PHE 485.A N GLN 481.A O no hydrogen 2.937 N/A ASN 486.A N ARG 482.A O no hydrogen 2.843 N/A GLU 487.A N MET 484.A O no hydrogen 3.002 N/A VAL 488.A N ASP 483.A O no hydrogen 3.181 N/A LYS 490.A N GLU 487.A O no hydrogen 2.851 N/A LYS 490.A NZ GLU 487.A OE1 no hydrogen 2.761 N/A GLY 492.A N VAL 488.A O no hydrogen 2.925 N/A SER 493.A N LEU 489.A O no hydrogen 3.117 N/A SER 493.A OG LEU 489.A O no hydrogen 2.684 N/A PHE 494.A N LYS 490.A O no hydrogen 3.206 N/A ILE 495.A N GLY 492.A O no hydrogen 3.199 N/A ASP 497.A N SER 493.A O no hydrogen 3.172 N/A ALA 498.A N PHE 494.A O no hydrogen 2.887 N/A LEU 499.A N ILE 495.A O no hydrogen 3.134 N/A VAL 500.A N VAL 496.A O no hydrogen 3.074 N/A ASP 501.A N ASP 497.A O no hydrogen 3.283 N/A TYR 502.A N LEU 499.A O no hydrogen 3.158 N/A TYR 502.A OH LEU 466.A O no hydrogen 2.756 N/A LYS 503.A N ASN 461.A OD1 no hydrogen 2.996 N/A LYS 503.A NZ ASP 501.A O no hydrogen 2.966 N/A GLN 504.A NE2 ASN 461.A OD1 no hydrogen 2.866 N/A GLN 504.A NE2 LEU 466.A O no hydrogen 3.230 N/A ILE 506.A N GLN 532.A O no hydrogen 2.894 N/A ILE 507.A N MET 468.A O no hydrogen 2.847 N/A ILE 508.A N GLU 534.A O no hydrogen 2.948 N/A TYR 509.A N ILE 470.A O no hydrogen 2.899 N/A TYR 509.A OH ASP 538.A OD1 no hydrogen 2.635 N/A ILE 510.A N TYR 536.A O no hydrogen 2.876 N/A GLY 514.A N PRO 511.A O no hydrogen 2.772 N/A GLU 515.A N ASN 473.A OD1 no hydrogen 2.852 N/A LEU 516.A N ARG 542.A O no hydrogen 3.155 N/A ARG 517.A N TRP 474.A O no hydrogen 3.319 N/A ARG 517.A NE GLU 515.A OE2 no hydrogen 2.838 N/A ARG 517.A NH1 ASP 596.A OD2 no hydrogen 3.024 N/A ARG 517.A NH2 GLU 515.A OE2 no hydrogen 3.475 N/A GLY 518.A N GLY 544.A O no hydrogen 3.411 N/A TRP 521.A N ARG 517.A O no hydrogen 3.246 N/A TRP 521.A NE1 ASP 525.A OD1 no hydrogen 2.793 N/A VAL 524.A N TRP 521.A O no hydrogen 3.199 N/A THR 527.A N ASP 525.A OD2 no hydrogen 2.883 N/A THR 527.A OG1 ASP 525.A OD2 no hydrogen 2.583 N/A ILE 528.A N ASP 525.A O no hydrogen 3.063 N/A ASN 529.A N PRO 526.A O no hydrogen 3.136 N/A GLN 532.A N ASN 529.A O no hydrogen 3.175 N/A GLN 532.A NE2 GLU 631.A OE2 no hydrogen 3.070 N/A MET 533.A N ASN 529.A O no hydrogen 2.789 N/A GLU 534.A N ILE 506.A O no hydrogen 3.268 N/A TYR 536.A N ILE 508.A O no hydrogen 2.695 N/A TYR 536.A OH GLU 534.A OE1 no hydrogen 2.761 N/A ALA 537.A N LYS 609.A O no hydrogen 3.378 N/A ASP 538.A N ILE 510.A O no hydrogen 2.864 N/A VAL 539.A N LEU 611.A O no hydrogen 2.876 N/A ASN 540.A N ASP 538.A OD2 no hydrogen 3.070 N/A ALA 541.A N ASP 538.A O no hydrogen 2.845 N/A ARG 542.A N GLY 514.A O no hydrogen 2.811 N/A ARG 542.A NE ASP 593.A OD1 no hydrogen 3.222 N/A ARG 542.A NE ASP 593.A OD2 no hydrogen 3.209 N/A ARG 542.A NH1 ALA 541.A O no hydrogen 3.262 N/A ARG 542.A NH2 ASP 593.A OD2 no hydrogen 3.420 N/A ALA 543.A N ASP 596.A O no hydrogen 3.004 N/A GLN 549.A NE2 GLN 549.A O no hydrogen 2.993 N/A MET 551.A N GLU 547.A O no hydrogen 2.939 N/A VAL 552.A N PRO 548.A O no hydrogen 3.004 N/A GLY 553.A N GLN 549.A O no hydrogen 3.106 N/A ILE 554.A N MET 551.A O no hydrogen 3.172 N/A LYS 555.A N MET 551.A O no hydrogen 2.712 N/A PHE 556.A N VAL 552.A O no hydrogen 2.851 N/A LYS 560.A N ARG 557.A O no hydrogen 2.822 N/A LYS 560.A NZ LYS 555.A O no hydrogen 3.036 N/A LEU 561.A N ARG 557.A O no hydrogen 3.320 N/A THR 564.A N LYS 560.A O no hydrogen 3.250 N/A THR 564.A OG1 LYS 560.A O no hydrogen 3.095 N/A MET 565.A N LEU 561.A O no hydrogen 2.797 N/A ASN 566.A N ASP 563.A O no hydrogen 3.132 N/A ASN 566.A ND2 MET 565.A O no hydrogen 2.467 N/A ARG 567.A N THR 564.A O no hydrogen 2.911 N/A TYR 572.A N LEU 568.A O no hydrogen 3.118 N/A ARG 573.A N ASP 569.A O no hydrogen 2.902 N/A GLU 574.A N TYR 572.A O no hydrogen 2.949 N/A ILE 583.A N LEU 580.A O no hydrogen 3.312 N/A TYR 584.A N LEU 580.A O no hydrogen 2.830 N/A GLY 585.A N LEU 581.A O no hydrogen 2.919 N/A ILE 587.A N ILE 583.A O no hydrogen 3.145 N/A SER 588.A N TYR 584.A O no hydrogen 3.238 N/A SER 588.A N GLY 585.A O no hydrogen 3.224 N/A SER 588.A OG GLY 585.A O no hydrogen 2.430 N/A LEU 589.A N GLY 585.A O no hydrogen 3.110 N/A GLN 590.A N GLN 586.A O no hydrogen 2.974 N/A PHE 591.A N ILE 587.A O no hydrogen 3.041 N/A ALA 592.A N SER 588.A O no hydrogen 2.894 N/A ASP 593.A N LEU 589.A O no hydrogen 2.925 N/A LEU 594.A N GLN 590.A O no hydrogen 3.041 N/A HIS 595.A N ALA 592.A O no hydrogen 2.704 N/A ASP 596.A N ASP 593.A O no hydrogen 3.096 N/A ARG 597.A NH1 ASP 593.A OD2 no hydrogen 2.543 N/A SER 598.A OG GLU 610.A OE1 no hydrogen 2.420 N/A SER 599.A OG GLU 610.A OE1 no hydrogen 3.556 N/A MET 601.A N ARG 597.A O no hydrogen 3.184 N/A VAL 602.A N SER 598.A O no hydrogen 2.980 N/A ALA 603.A N SER 599.A O no hydrogen 3.076 N/A LYS 604.A N ARG 600.A O no hydrogen 2.823 N/A GLY 605.A N VAL 602.A O no hydrogen 3.021 N/A VAL 606.A N MET 601.A O no hydrogen 3.031 N/A SER 608.A N MET 535.A O no hydrogen 2.693 N/A LEU 611.A N ALA 537.A O no hydrogen 2.763 N/A TRP 613.A N ASP 538.A OD1 no hydrogen 3.043 N/A TRP 613.A NE1 PHE 354.A O no hydrogen 2.836 N/A GLU 615.A N GLU 612.A O no hydrogen 2.736 N/A ALA 616.A N TRP 613.A O no hydrogen 2.852 N/A ARG 617.A NE THR 347.A O no hydrogen 3.351 N/A ARG 617.A NE TRP 348.A O no hydrogen 3.345 N/A ARG 617.A NH1 LEU 381.A O no hydrogen 3.082 N/A ARG 617.A NH1 ASP 383.A OD2 no hydrogen 2.877 N/A ARG 617.A NH2 THR 347.A O no hydrogen 2.949 N/A ARG 617.A NH2 ASP 383.A OD2 no hydrogen 2.765 N/A ARG 618.A NE ASP 349.A OD2 no hydrogen 2.751 N/A ARG 618.A NH1 GLU 615.A OE2 no hydrogen 3.002 N/A ARG 618.A NH2 ASP 349.A OD2 no hydrogen 2.770 N/A PHE 619.A N GLU 615.A O no hydrogen 3.056 N/A PHE 620.A N ALA 616.A O no hydrogen 2.927 N/A PHE 621.A N ARG 617.A O no hydrogen 2.833 N/A TRP 622.A N ARG 618.A O no hydrogen 3.507 N/A ARG 623.A N PHE 619.A O no hydrogen 2.982 N/A ARG 623.A NE GLU 534.A OE1 no hydrogen 3.247 N/A ARG 623.A NH1 ASP 666.A OD1 no hydrogen 2.819 N/A ARG 623.A NH2 GLU 534.A OE2 no hydrogen 2.855 N/A LEU 624.A N PHE 620.A O no hydrogen 2.872 N/A ARG 625.A N PHE 621.A O no hydrogen 3.051 N/A ARG 625.A NE GLU 674.A OE1 no hydrogen 2.719 N/A ARG 625.A NH2 GLU 674.A OE1 no hydrogen 3.061 N/A ARG 625.A NH2 GLU 674.A OE2 no hydrogen 2.765 N/A ARG 626.A N TRP 622.A O no hydrogen 2.830 N/A ARG 626.A NE GLU 630.A OE1 no hydrogen 2.746 N/A ARG 626.A NH1 HIS 663.A O no hydrogen 2.858 N/A ARG 626.A NH1 ASP 666.A OD1 no hydrogen 3.078 N/A ARG 626.A NH2 GLU 630.A OE2 no hydrogen 2.993 N/A ARG 626.A NH2 HIS 663.A O no hydrogen 2.769 N/A ARG 627.A N ARG 623.A O no hydrogen 2.851 N/A ARG 627.A NH1 ILE 506.A O no hydrogen 3.108 N/A ARG 627.A NH2 GLN 532.A O no hydrogen 2.506 N/A LEU 628.A N LEU 624.A O no hydrogen 2.888 N/A ASN 629.A N ARG 625.A O no hydrogen 3.300 N/A ASN 629.A N ARG 626.A O no hydrogen 3.122 N/A ASN 629.A ND2 TYR 677.A OH no hydrogen 2.415 N/A GLU 630.A N ARG 626.A O no hydrogen 3.004 N/A GLU 631.A N ARG 627.A O no hydrogen 2.893 N/A TYR 632.A N LEU 628.A O no hydrogen 3.157 N/A LEU 633.A N ASN 629.A O no hydrogen 3.271 N/A ILE 634.A N GLU 630.A O no hydrogen 2.831 N/A LYS 635.A N GLU 631.A O no hydrogen 2.838 N/A ARG 636.A N TYR 632.A O no hydrogen 3.135 N/A ARG 636.A NH1 TYR 632.A OH no hydrogen 3.083 N/A ARG 636.A NH1 ASP 681.A OD2 no hydrogen 2.839 N/A ARG 636.A NH2 ASP 681.A OD2 no hydrogen 3.007 N/A LEU 637.A N LEU 633.A O no hydrogen 2.892 N/A SER 638.A N ILE 634.A O no hydrogen 2.873 N/A SER 638.A OG ILE 634.A O no hydrogen 3.220 N/A HIS 639.A N LYS 635.A O no hydrogen 2.861 N/A SER 645.A N GLU 648.A OE2 no hydrogen 2.798 N/A ARG 646.A NH1 GLU 631.A OE2 no hydrogen 3.460 N/A GLU 648.A N SER 645.A O no hydrogen 3.230 N/A LYS 649.A N SER 645.A O no hydrogen 3.021 N/A ILE 650.A N ARG 646.A O no hydrogen 2.921 N/A ALA 651.A N LEU 647.A O no hydrogen 3.271 N/A ARG 652.A N GLU 648.A O no hydrogen 3.105 N/A ILE 653.A N LYS 649.A O no hydrogen 3.180 N/A ARG 654.A N ILE 650.A O no hydrogen 2.970 N/A ARG 654.A NE GLU 630.A OE2 no hydrogen 2.878 N/A ARG 654.A NH2 GLU 630.A OE1 no hydrogen 2.856 N/A ARG 654.A NH2 GLU 630.A OE2 no hydrogen 3.340 N/A SER 655.A N ALA 651.A O no hydrogen 2.854 N/A SER 655.A OG ARG 652.A O no hydrogen 2.332 N/A TRP 656.A N ILE 653.A O no hydrogen 2.980 N/A TYR 657.A N ARG 654.A O no hydrogen 3.224 N/A TYR 657.A OH GLU 630.A OE2 no hydrogen 2.827 N/A VAL 661.A N PRO 658.A O no hydrogen 2.779 N/A GLU 664.A N ASP 662.A OD2 no hydrogen 3.111 N/A ASP 665.A N ASP 662.A O no hydrogen 2.870 N/A GLN 668.A N ASP 665.A OD1 no hydrogen 3.147 N/A VAL 669.A N ASP 665.A O no hydrogen 3.014 N/A ALA 670.A N ASP 666.A O no hydrogen 2.909 N/A THR 671.A N ARG 667.A O no hydrogen 2.965 N/A THR 671.A OG1 ARG 667.A O no hydrogen 2.688 N/A TRP 672.A N GLN 668.A O no hydrogen 2.827 N/A ILE 673.A N VAL 669.A O no hydrogen 3.026 N/A GLU 674.A N ALA 670.A O no hydrogen 2.904 N/A GLU 675.A N THR 671.A O no hydrogen 3.003 N/A ASN 676.A N ILE 673.A O no hydrogen 3.093 N/A ASN 676.A ND2 TRP 672.A O no hydrogen 2.779 N/A LEU 680.A N ASN 676.A O no hydrogen 2.824 N/A ASP 681.A N TYR 677.A O no hydrogen 2.802 N/A ASP 682.A N LYS 678.A O no hydrogen 3.094 N/A LYS 683.A N THR 679.A O no hydrogen 3.094 N/A LEU 684.A N LEU 680.A O no hydrogen 2.921 N/A LYS 685.A N ASP 681.A O no hydrogen 2.860 N/A GLY 686.A N ASP 682.A O no hydrogen 3.267 N/A LEU 687.A N LYS 683.A O no hydrogen 3.110 N/A LYS 688.A N LEU 684.A O no hydrogen 3.263 N/A