Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kas_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 HIS 480.A O no hydrogen 3.454 N/A ARG 1.A NH2 HIS 480.A O no hydrogen 3.242 N/A LEU 7.A N TYR 3.A O no hydrogen 3.038 N/A LYS 8.A N TRP 4.A O no hydrogen 2.871 N/A ARG 9.A N ASP 5.A O no hydrogen 3.119 N/A LYS 10.A N ASP 6.A O no hydrogen 2.737 N/A LYS 10.A NZ GLU 13.A OE2 no hydrogen 3.371 N/A LEU 11.A N LEU 7.A O no hydrogen 2.922 N/A SER 12.A N LYS 8.A O no hydrogen 3.036 N/A GLU 13.A N ARG 9.A O no hydrogen 2.789 N/A LYS 14.A N LYS 10.A O no hydrogen 2.914 N/A LEU 15.A N LEU 11.A O no hydrogen 2.887 N/A ASP 16.A N SER 12.A O no hydrogen 2.903 N/A SER 17.A N LYS 14.A O no hydrogen 3.352 N/A SER 17.A OG LYS 14.A O no hydrogen 3.372 N/A THR 18.A N LEU 15.A O no hydrogen 3.021 N/A THR 18.A OG1 LYS 14.A O no hydrogen 2.777 N/A PHE 20.A N ASN 461.A OD1 no hydrogen 2.657 N/A THR 21.A N ASN 461.A OD1 no hydrogen 3.284 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 3.277 N/A SER 22.A N ASP 19.A OD1 no hydrogen 2.998 N/A SER 22.A OG ASP 19.A OD1 no hydrogen 2.964 N/A SER 22.A OG ASP 19.A OD2 no hydrogen 2.654 N/A ILE 24.A N PHE 20.A O no hydrogen 3.060 N/A LYS 25.A N THR 21.A O no hydrogen 2.839 N/A LEU 26.A N SER 22.A O no hydrogen 2.734 N/A LEU 27.A N THR 23.A O no hydrogen 2.888 N/A ASN 28.A N LYS 25.A O no hydrogen 2.798 N/A GLU 29.A N LEU 26.A O no hydrogen 3.205 N/A TYR 32.A N GLU 29.A O no hydrogen 2.782 N/A ARG 35.A NE TYR 32.A O no hydrogen 3.396 N/A ARG 35.A NH1 ARG 286.A O no hydrogen 3.286 N/A ARG 35.A NH2 LEU 27.A O no hydrogen 2.784 N/A GLY 38.A N ASP 42.A OD1 no hydrogen 3.125 N/A SER 39.A N GLU 36.A O no hydrogen 2.991 N/A SER 39.A OG GLU 36.A O no hydrogen 2.558 N/A LYS 41.A NZ ASN 30.A O no hydrogen 2.451 N/A ASP 42.A N SER 39.A OG no hydrogen 3.233 N/A GLU 43.A N SER 39.A O no hydrogen 2.943 N/A ASN 44.A N GLN 40.A O no hydrogen 2.588 N/A ASN 44.A ND2 SER 31.A O no hydrogen 3.392 N/A LEU 45.A N LYS 41.A O no hydrogen 2.876 N/A ALA 46.A N ASP 42.A O no hydrogen 2.875 N/A LEU 47.A N GLU 43.A O no hydrogen 2.993 N/A TYR 48.A N ASN 44.A O no hydrogen 2.875 N/A VAL 49.A N LEU 45.A O no hydrogen 2.732 N/A GLU 50.A N ALA 46.A O no hydrogen 3.048 N/A ASN 51.A N LEU 47.A O no hydrogen 2.907 N/A GLN 52.A N TYR 48.A O no hydrogen 2.920 N/A PHE 53.A N VAL 49.A O no hydrogen 2.974 N/A ARG 54.A N GLU 50.A O no hydrogen 3.139 N/A GLU 55.A N ASN 51.A O no hydrogen 2.865 N/A PHE 56.A N GLN 52.A O no hydrogen 2.856 N/A LYS 57.A N ARG 54.A O no hydrogen 3.130 N/A SER 59.A OG VAL 269.A O no hydrogen 3.164 N/A LYS 60.A N VAL 269.A O no hydrogen 3.433 N/A TRP 62.A N PHE 267.A O no hydrogen 2.985 N/A ASP 64.A N ASN 265.A O no hydrogen 2.855 N/A HIS 66.A N ILE 263.A O no hydrogen 3.184 N/A HIS 66.A NE2 ASP 64.A OD2 no hydrogen 2.736 N/A VAL 68.A N ILE 261.A O no hydrogen 3.077 N/A LYS 69.A N ASP 187.A OD2 no hydrogen 3.085 N/A ILE 70.A N LYS 259.A O no hydrogen 2.923 N/A GLN 71.A NE2 SER 103.A O no hydrogen 2.944 N/A VAL 72.A N VAL 257.A O no hydrogen 2.943 N/A SER 75.A N ASP 74.A OD1 no hydrogen 2.639 N/A SER 75.A OG ASP 74.A OD1 no hydrogen 3.186 N/A ASN 78.A ND2 GLN 212.A OE1 no hydrogen 2.758 N/A ASN 78.A ND2 ASN 256.A OD1 no hydrogen 3.018 N/A SER 79.A N THR 253.A O no hydrogen 2.998 N/A VAL 80.A N GLU 94.A O no hydrogen 2.929 N/A ILE 81.A N LYS 251.A O no hydrogen 2.971 N/A ILE 82.A N TYR 91.A O no hydrogen 2.836 N/A VAL 83.A N ASN 249.A O no hydrogen 2.820 N/A ASP 84.A N LEU 89.A O no hydrogen 3.000 N/A LYS 85.A N SER 247.A O no hydrogen 2.816 N/A ARG 88.A N ASP 84.A O no hydrogen 2.737 N/A TYR 91.A N ILE 82.A O no hydrogen 2.829 N/A VAL 93.A N VAL 80.A O no hydrogen 2.788 N/A GLU 94.A N VAL 80.A O no hydrogen 3.277 N/A ASN 95.A ND2 ASN 78.A O no hydrogen 3.060 N/A ASN 95.A ND2 GLU 94.A O no hydrogen 3.284 N/A TYR 99.A OH GLN 71.A O no hydrogen 2.785 N/A ALA 101.A N GLY 179.A O no hydrogen 2.827 N/A TYR 102.A N GLN 71.A OE1 no hydrogen 2.747 N/A SER 103.A N VAL 100.A O no hydrogen 3.186 N/A SER 103.A OG LYS 104.A O no hydrogen 2.922 N/A SER 103.A OG VAL 211.A O no hydrogen 3.300 N/A LYS 104.A N ILE 209.A O no hydrogen 3.237 N/A LYS 104.A NZ ASN 208.A O no hydrogen 3.305 N/A ALA 106.A N VAL 254.A O no hydrogen 2.905 N/A THR 107.A OG1 THR 253.A OG1 no hydrogen 3.419 N/A VAL 108.A N LEU 252.A O no hydrogen 2.898 N/A GLY 110.A N VAL 250.A O no hydrogen 2.917 N/A LEU 112.A N THR 244.A OG1 no hydrogen 3.191 N/A VAL 113.A N ILE 134.A O no hydrogen 2.899 N/A HIS 114.A N MET 242.A O no hydrogen 2.920 N/A HIS 114.A NE2 TYR 162.A OH no hydrogen 2.938 N/A ALA 115.A N ILE 136.A O no hydrogen 3.014 N/A ASN 116.A N HIS 114.A ND1 no hydrogen 2.847 N/A ASN 116.A ND2 ASP 122.A OD1 no hydrogen 3.377 N/A ASN 116.A ND2 ASP 122.A OD2 no hydrogen 3.487 N/A PHE 117.A N ASP 122.A OD1 no hydrogen 2.973 N/A GLY 118.A N ALA 115.A O no hydrogen 2.734 N/A THR 119.A N ASP 122.A OD1 no hydrogen 3.307 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.087 N/A PHE 123.A N THR 119.A O no hydrogen 3.172 N/A GLU 124.A N LYS 120.A O no hydrogen 3.435 N/A ASP 125.A N LYS 121.A O no hydrogen 3.002 N/A LEU 126.A N PHE 123.A O no hydrogen 3.079 N/A GLY 132.A N ASN 155.A O no hydrogen 3.044 N/A SER 133.A N VAL 130.A O no hydrogen 2.862 N/A SER 133.A OG ASN 131.A O no hydrogen 3.291 N/A ILE 134.A N LYS 111.A O no hydrogen 2.783 N/A VAL 135.A N GLY 158.A O no hydrogen 2.883 N/A ILE 136.A N VAL 113.A O no hydrogen 2.756 N/A VAL 137.A N LEU 160.A O no hydrogen 2.914 N/A ARG 138.A N ASN 116.A O no hydrogen 2.638 N/A ARG 138.A NE ASN 116.A OD1 no hydrogen 3.047 N/A ARG 138.A NH1 ASP 164.A OD1 no hydrogen 2.811 N/A ARG 138.A NH1 ASP 164.A OD2 no hydrogen 2.996 N/A ARG 138.A NH2 ASN 116.A OD1 no hydrogen 3.313 N/A ALA 139.A N TYR 162.A O no hydrogen 2.851 N/A ILE 142.A N GLY 140.A O no hydrogen 2.608 N/A THR 143.A N GLU 146.A OE1 no hydrogen 2.610 N/A THR 143.A OG1 GLU 146.A OE1 no hydrogen 2.644 N/A GLU 146.A N THR 143.A OG1 no hydrogen 3.181 N/A LYS 147.A N THR 143.A O no hydrogen 3.146 N/A LYS 147.A NZ PHE 117.A O no hydrogen 2.606 N/A LYS 147.A NZ ARG 138.A O no hydrogen 2.814 N/A LYS 147.A NZ GLY 140.A O no hydrogen 2.880 N/A VAL 148.A N PHE 144.A O no hydrogen 2.897 N/A ALA 149.A N ALA 145.A O no hydrogen 3.084 N/A ASN 150.A N GLU 146.A O no hydrogen 2.731 N/A ASN 150.A ND2 GLY 118.A O no hydrogen 2.817 N/A ALA 151.A N LYS 147.A O no hydrogen 2.958 N/A GLU 152.A N VAL 148.A O no hydrogen 2.650 N/A SER 153.A N ALA 149.A O no hydrogen 2.688 N/A LEU 154.A N ALA 151.A O no hydrogen 2.862 N/A ASN 155.A N GLU 152.A O no hydrogen 2.973 N/A ALA 156.A N ALA 151.A O no hydrogen 3.114 N/A ILE 157.A N SER 133.A O no hydrogen 2.918 N/A VAL 159.A N PRO 210.A O no hydrogen 2.952 N/A LEU 160.A N VAL 135.A O no hydrogen 2.759 N/A ILE 161.A N GLN 212.A O no hydrogen 2.908 N/A TYR 162.A N VAL 137.A O no hydrogen 3.177 N/A TYR 162.A OH HIS 114.A NE2 no hydrogen 2.938 N/A GLN 165.A N ASP 237.A OD2 no hydrogen 3.098 N/A THR 166.A N ASP 237.A OD1 no hydrogen 3.128 N/A THR 166.A OG1 ASP 237.A OD1 no hydrogen 2.971 N/A LYS 167.A N ASP 164.A OD2 no hydrogen 2.864 N/A LYS 167.A NZ ASP 439.A OD2 no hydrogen 2.847 N/A PHE 168.A N ASP 164.A O no hydrogen 2.854 N/A ILE 170.A N PHE 168.A O no hydrogen 2.454 N/A GLU 174.A N ASN 172.A OD1 no hydrogen 2.690 N/A PHE 178.A N GLY 444.A O no hydrogen 2.916 N/A HIS 180.A ND1 ASP 334.A O no hydrogen 3.294 N/A ALA 181.A N ALA 101.A O no hydrogen 3.012 N/A HIS 182.A NE2 SER 204.A O no hydrogen 2.802 N/A LEU 183.A N GLY 205.A O no hydrogen 2.950 N/A THR 185.A OG1 THR 341.A OG1 no hydrogen 3.043 N/A GLY 186.A N GLY 336.A O no hydrogen 3.139 N/A ASP 187.A N GLU 342.A OE1 no hydrogen 3.299 N/A TYR 189.A N ASP 187.A OD1 no hydrogen 2.547 N/A THR 190.A OG1 ASP 187.A O no hydrogen 2.950 N/A SER 203.A OG GLU 571.A O no hydrogen 3.442 N/A LEU 206.A N SER 204.A OG no hydrogen 3.308 N/A ASN 208.A N GLU 152.A OE1 no hydrogen 2.710 N/A ASN 208.A N GLU 152.A OE2 no hydrogen 3.416 N/A ASN 208.A ND2 GLU 152.A OE1 no hydrogen 3.036 N/A VAL 211.A N SER 103.A OG no hydrogen 2.907 N/A GLN 212.A N VAL 159.A O no hydrogen 2.927 N/A GLN 212.A NE2 GLY 98.A O no hydrogen 2.860 N/A GLN 212.A NE2 THR 213.A O no hydrogen 2.823 N/A THR 213.A OG1 PHE 177.A O no hydrogen 3.094 N/A ILE 214.A N ILE 161.A O no hydrogen 2.754 N/A SER 215.A N GLU 94.A OE1 no hydrogen 3.255 N/A SER 215.A OG GLU 94.A OE2 no hydrogen 2.863 N/A SER 215.A OG ALA 173.A O no hydrogen 3.375 N/A ARG 216.A NH2 ILE 170.A O no hydrogen 2.374 N/A ALA 217.A N ALA 173.A O no hydrogen 2.928 N/A ALA 218.A N SER 215.A OG no hydrogen 2.975 N/A ALA 219.A N SER 215.A O no hydrogen 3.009 N/A GLU 220.A N ARG 216.A O no hydrogen 2.880 N/A LYS 221.A N ALA 217.A O no hydrogen 2.906 N/A LEU 222.A N ALA 218.A O no hydrogen 2.953 N/A PHE 223.A N ALA 219.A O no hydrogen 2.763 N/A GLY 224.A N GLU 220.A O no hydrogen 2.887 N/A ASN 225.A N LEU 222.A O no hydrogen 2.905 N/A ASN 225.A ND2 LYS 221.A O no hydrogen 2.824 N/A MET 226.A N PHE 223.A O no hydrogen 2.871 N/A GLU 227.A N VAL 243.A O no hydrogen 2.575 N/A TRP 234.A N PRO 231.A O no hydrogen 2.927 N/A LYS 235.A N SER 232.A O no hydrogen 2.937 N/A THR 239.A OG1 GLU 220.A OE1 no hydrogen 3.158 N/A CYS 240.A N ASP 237.A O no hydrogen 3.318 N/A CYS 240.A SG ARG 241.A O no hydrogen 3.728 N/A ARG 241.A NH1 SER 238.A O no hydrogen 2.672 N/A ARG 241.A NH1 CYS 240.A O no hydrogen 2.722 N/A MET 242.A N GLU 227.A O no hydrogen 3.093 N/A VAL 243.A N GLU 227.A O no hydrogen 3.067 N/A THR 244.A N LEU 112.A O no hydrogen 3.303 N/A SER 245.A N ASN 225.A O no hydrogen 3.270 N/A SER 245.A OG GLU 227.A OE1 no hydrogen 3.475 N/A LYS 248.A N SER 245.A O no hydrogen 3.196 N/A LYS 248.A NZ ASN 225.A OD1 no hydrogen 2.911 N/A ASN 249.A N VAL 83.A O no hydrogen 3.177 N/A VAL 250.A N GLY 110.A O no hydrogen 2.688 N/A LYS 251.A N ILE 81.A O no hydrogen 2.782 N/A LEU 252.A N VAL 108.A O no hydrogen 2.807 N/A THR 253.A N SER 79.A O no hydrogen 3.078 N/A THR 253.A OG1 THR 107.A OG1 no hydrogen 3.419 N/A VAL 254.A N ALA 106.A O no hydrogen 2.947 N/A SER 255.A N ASN 78.A OD1 no hydrogen 3.026 N/A SER 255.A OG ALA 76.A O no hydrogen 3.320 N/A SER 255.A OG ASN 78.A OD1 no hydrogen 3.491 N/A ASN 256.A ND2 GLN 71.A OE1 no hydrogen 3.149 N/A VAL 257.A N VAL 72.A O no hydrogen 2.798 N/A LYS 259.A N ILE 70.A O no hydrogen 2.825 N/A ILE 261.A N VAL 68.A O no hydrogen 2.820 N/A ILE 263.A N HIS 66.A O no hydrogen 2.994 N/A ASN 265.A N ASP 64.A O no hydrogen 2.914 N/A ASN 265.A ND2 ASP 64.A OD2 no hydrogen 3.171 N/A ASN 265.A ND2 GLY 339.A O no hydrogen 2.936 N/A ILE 266.A N SER 329.A O no hydrogen 2.997 N/A PHE 267.A N TRP 62.A O no hydrogen 3.059 N/A GLY 268.A N PHE 327.A O no hydrogen 2.852 N/A VAL 269.A N LYS 60.A O no hydrogen 2.970 N/A ILE 270.A N ILE 325.A O no hydrogen 2.836 N/A LYS 271.A N SER 59.A OG no hydrogen 2.888 N/A GLY 272.A N SER 324.A OG no hydrogen 2.882 N/A PHE 273.A N PRO 321.A O no hydrogen 2.753 N/A VAL 274.A N SER 322.A O no hydrogen 2.925 N/A GLU 275.A N SER 322.A O no hydrogen 2.900 N/A HIS 278.A N GLU 275.A O no hydrogen 3.281 N/A TYR 279.A N LYS 354.A O no hydrogen 2.750 N/A VAL 280.A N SER 324.A O no hydrogen 2.950 N/A VAL 281.A N THR 357.A O no hydrogen 2.790 N/A VAL 282.A N ILE 326.A O no hydrogen 2.844 N/A GLY 283.A N ILE 359.A O no hydrogen 3.009 N/A ALA 284.A N ALA 328.A O no hydrogen 2.927 N/A GLN 285.A N ASP 362.A OD1 no hydrogen 2.642 N/A GLN 285.A NE2 ASP 287.A O no hydrogen 2.630 N/A GLN 285.A NE2 ASP 334.A OD1 no hydrogen 3.555 N/A ARG 286.A N TRP 330.A O no hydrogen 2.822 N/A ARG 286.A NE SER 329.A OG no hydrogen 3.089 N/A ALA 288.A N ARG 35.A O no hydrogen 3.072 N/A TRP 289.A N ASP 334.A OD2 no hydrogen 2.814 N/A ALA 293.A N ASP 448.A O no hydrogen 2.858 N/A ALA 294.A N ASP 448.A OD1 no hydrogen 2.848 N/A LYS 295.A N ASP 448.A OD2 no hydrogen 2.904 N/A LYS 295.A NZ ASP 334.A OD1 no hydrogen 2.923 N/A SER 296.A N GLY 292.A O no hydrogen 2.762 N/A SER 296.A OG GLN 285.A O no hydrogen 2.849 N/A SER 296.A OG ASP 287.A O no hydrogen 3.483 N/A GLY 297.A N GLY 292.A O no hydrogen 2.906 N/A VAL 298.A N ALA 293.A O no hydrogen 2.793 N/A THR 300.A N SER 296.A O no hydrogen 2.925 N/A THR 300.A OG1 GLN 285.A O no hydrogen 3.192 N/A THR 300.A OG1 SER 296.A O no hydrogen 2.939 N/A ALA 301.A N GLY 297.A O no hydrogen 2.746 N/A LEU 302.A N VAL 298.A O no hydrogen 2.886 N/A LEU 303.A N GLY 299.A O no hydrogen 2.847 N/A LEU 304.A N THR 300.A O no hydrogen 2.900 N/A LYS 305.A N ALA 301.A O no hydrogen 2.889 N/A LYS 305.A NZ GLN 308.A OE1 no hydrogen 3.303 N/A LEU 306.A N LEU 302.A O no hydrogen 2.791 N/A ALA 307.A N LEU 303.A O no hydrogen 3.019 N/A GLN 308.A N LEU 304.A O no hydrogen 3.015 N/A MET 309.A N LYS 305.A O no hydrogen 2.842 N/A PHE 310.A N LEU 306.A O no hydrogen 2.916 N/A SER 311.A N ALA 307.A O no hydrogen 3.026 N/A SER 311.A OG PHE 56.A O no hydrogen 2.589 N/A ASP 312.A N GLN 308.A O no hydrogen 2.976 N/A MET 313.A N MET 309.A O no hydrogen 2.888 N/A VAL 314.A N PHE 310.A O no hydrogen 3.022 N/A LEU 315.A N SER 311.A O no hydrogen 3.058 N/A LYS 316.A N ASP 312.A O no hydrogen 2.797 N/A ASP 317.A N ASP 312.A O no hydrogen 3.437 N/A PHE 319.A N MET 313.A O no hydrogen 2.952 N/A GLN 320.A NE2 GLY 318.A O no hydrogen 3.111 N/A SER 322.A N THR 479.A O no hydrogen 2.682 N/A ARG 323.A NH1 LEU 478.A O no hydrogen 2.722 N/A ARG 323.A NH1 ASP 481.A O no hydrogen 2.784 N/A ARG 323.A NH2 ASP 481.A O no hydrogen 3.211 N/A ARG 323.A NH2 VAL 482.A O no hydrogen 2.969 N/A SER 324.A N HIS 278.A O no hydrogen 2.799 N/A SER 324.A OG PRO 276.A O no hydrogen 2.615 N/A ILE 325.A N ILE 270.A O no hydrogen 3.004 N/A ILE 326.A N VAL 280.A O no hydrogen 2.944 N/A PHE 327.A N GLY 268.A O no hydrogen 2.767 N/A ALA 328.A N VAL 282.A O no hydrogen 2.789 N/A SER 329.A N ILE 266.A O no hydrogen 2.780 N/A TRP 330.A N ALA 284.A O no hydrogen 2.841 N/A TRP 330.A NE1 TYR 358.A OH no hydrogen 3.046 N/A SER 331.A N ASN 265.A OD1 no hydrogen 3.223 N/A SER 331.A OG ASP 42.A OD1 no hydrogen 3.041 N/A GLY 333.A N ASP 287.A OD1 no hydrogen 2.597 N/A ASP 334.A N ASP 287.A OD2 no hydrogen 3.013 N/A GLY 336.A N GLY 333.A O no hydrogen 3.052 N/A SER 337.A N GLY 333.A O no hydrogen 3.018 N/A VAL 338.A N ALA 332.A O no hydrogen 2.968 N/A GLY 339.A N SER 331.A O no hydrogen 2.980 N/A THR 341.A N SER 337.A O no hydrogen 2.882 N/A THR 341.A OG1 THR 185.A OG1 no hydrogen 3.043 N/A THR 341.A OG1 SER 337.A O no hydrogen 2.944 N/A GLU 342.A N VAL 338.A O no hydrogen 2.874 N/A TRP 343.A N GLY 339.A O no hydrogen 3.274 N/A LEU 344.A N ALA 340.A O no hydrogen 2.936 N/A GLU 345.A N THR 341.A O no hydrogen 2.862 N/A GLY 346.A N TRP 343.A O no hydrogen 3.069 N/A TYR 347.A N LEU 344.A O no hydrogen 3.042 N/A SER 350.A N TYR 347.A O no hydrogen 3.207 N/A LEU 351.A N TYR 347.A O no hydrogen 2.988 N/A LEU 353.A N SER 350.A O no hydrogen 3.034 N/A LYS 354.A N LEU 351.A O no hydrogen 2.888 N/A ALA 355.A N LEU 351.A O no hydrogen 2.928 N/A PHE 356.A N TYR 279.A O no hydrogen 2.996 N/A THR 357.A OG1 PHE 356.A O no hydrogen 2.568 N/A TYR 358.A N PRO 428.A O no hydrogen 2.884 N/A ILE 359.A N VAL 281.A O no hydrogen 2.703 N/A ASN 360.A N VAL 430.A O no hydrogen 2.934 N/A ASN 360.A ND2 TYR 358.A OH no hydrogen 2.699 N/A ASN 360.A ND2 ASP 362.A OD2 no hydrogen 3.414 N/A LEU 361.A N GLY 283.A O no hydrogen 2.898 N/A ASP 362.A N ASN 360.A OD1 no hydrogen 3.351 N/A LEU 366.A N PHE 434.A O no hydrogen 2.882 N/A THR 368.A N GLU 436.A OE2 no hydrogen 2.920 N/A SER 369.A N GLU 436.A OE2 no hydrogen 3.298 N/A SER 369.A OG GLU 436.A OE2 no hydrogen 3.166 N/A ASN 370.A N CYS 435.A O no hydrogen 2.695 N/A ASN 370.A ND2 ASP 437.A OD2 no hydrogen 3.307 N/A LYS 372.A N CYS 433.A O no hydrogen 2.794 N/A SER 374.A N SER 431.A O no hydrogen 2.777 N/A SER 374.A OG GLU 410.A O no hydrogen 2.973 N/A SER 376.A N ALA 429.A O no hydrogen 3.040 N/A SER 376.A OG GLU 559.A OE1 no hydrogen 2.613 N/A LEU 378.A N SER 376.A OG no hydrogen 2.899 N/A LEU 379.A N SER 376.A O no hydrogen 3.132 N/A TYR 380.A N PRO 377.A O no hydrogen 3.107 N/A THR 381.A OG1 ASP 487.A OD2 no hydrogen 2.554 N/A ILE 383.A N LEU 379.A O no hydrogen 2.875 N/A GLU 384.A N TYR 380.A O no hydrogen 2.829 N/A LYS 385.A N THR 381.A O no hydrogen 2.887 N/A THR 386.A N LEU 382.A O no hydrogen 2.957 N/A THR 386.A OG1 LEU 382.A O no hydrogen 2.788 N/A MET 387.A N ILE 383.A O no hydrogen 2.920 N/A GLN 388.A N GLU 384.A O no hydrogen 2.990 N/A GLN 388.A N LYS 385.A O no hydrogen 3.249 N/A ASN 389.A N THR 386.A O no hydrogen 3.273 N/A HIS 392.A N GLN 397.A O no hydrogen 2.728 N/A HIS 392.A NE2 THR 368.A O no hydrogen 2.790 N/A VAL 394.A N HIS 392.A ND1 no hydrogen 3.064 N/A THR 395.A N HIS 392.A ND1 no hydrogen 2.918 N/A GLY 396.A N HIS 392.A O no hydrogen 2.906 N/A LEU 399.A N VAL 390.A O no hydrogen 2.846 N/A TYR 400.A N MET 387.A O no hydrogen 3.082 N/A ASN 404.A N ASP 402.A OD1 no hydrogen 2.758 N/A TRP 405.A N ASP 402.A O no hydrogen 3.104 N/A TRP 405.A NE1 GLU 384.A OE2 no hydrogen 2.931 N/A SER 407.A N ASN 404.A O no hydrogen 3.203 N/A SER 407.A OG ASN 404.A O no hydrogen 3.124 N/A SER 407.A OG ASN 404.A OD1 no hydrogen 2.949 N/A LYS 408.A N TRP 405.A O no hydrogen 3.174 N/A LYS 408.A NZ ASP 402.A OD2 no hydrogen 2.990 N/A THR 413.A OG1 ASP 415.A OD2 no hydrogen 2.564 N/A ASN 416.A N THR 413.A O no hydrogen 2.989 N/A ASN 416.A ND2 SER 431.A OG no hydrogen 3.079 N/A ALA 418.A N ASN 416.A OD1 no hydrogen 2.798 N/A PHE 419.A N ASN 416.A O no hydrogen 2.886 N/A LEU 422.A N ALA 418.A O no hydrogen 3.275 N/A ALA 423.A N PHE 419.A O no hydrogen 2.783 N/A TYR 424.A N PRO 420.A O no hydrogen 2.816 N/A SER 425.A N PRO 420.A O no hydrogen 3.015 N/A SER 425.A N PHE 421.A O no hydrogen 3.211 N/A GLY 426.A N LEU 422.A O no hydrogen 3.132 N/A ILE 427.A N PHE 421.A O no hydrogen 3.025 N/A VAL 430.A N TYR 358.A O no hydrogen 3.002 N/A SER 431.A N SER 374.A O no hydrogen 2.853 N/A CYS 433.A N LYS 372.A O no hydrogen 2.886 N/A PHE 434.A N ALA 364.A O no hydrogen 2.814 N/A CYS 435.A N ASN 370.A O no hydrogen 2.921 N/A CYS 435.A SG GLU 436.A O no hydrogen 3.971 N/A LEU 443.A N TYR 440.A O no hydrogen 3.504 N/A THR 445.A N TYR 442.A O no hydrogen 3.039 N/A THR 445.A OG1 TYR 442.A O no hydrogen 2.539 N/A MET 447.A N THR 445.A OG1 no hydrogen 2.999 N/A THR 449.A N MET 447.A O no hydrogen 2.753 N/A TYR 450.A N ASN 28.A OD1 no hydrogen 3.026 N/A GLU 452.A N THR 449.A OG1 no hydrogen 3.084 N/A LEU 453.A N THR 449.A O no hydrogen 2.882 N/A ILE 454.A N TYR 450.A O no hydrogen 2.646 N/A GLU 455.A N LYS 451.A O no hydrogen 3.148 N/A GLU 455.A N GLU 452.A O no hydrogen 3.126 N/A ARG 456.A N GLU 452.A O no hydrogen 3.131 N/A ILE 457.A N LEU 453.A O no hydrogen 3.002 N/A GLU 459.A N GLU 459.A OE1 no hydrogen 2.603 N/A LEU 460.A N ILE 457.A O no hydrogen 3.067 N/A ASN 461.A ND2 THR 18.A O no hydrogen 3.624 N/A VAL 463.A N GLU 459.A O no hydrogen 2.966 N/A ALA 464.A N LEU 460.A O no hydrogen 2.773 N/A ARG 465.A N ASN 461.A O no hydrogen 2.925 N/A ARG 465.A NE ASP 16.A OD2 no hydrogen 2.997 N/A ARG 465.A NH1 GLU 469.A OE1 no hydrogen 2.831 N/A ARG 465.A NH2 SER 12.A O no hydrogen 3.473 N/A ARG 465.A NH2 ASP 16.A OD2 no hydrogen 3.005 N/A ALA 466.A N LYS 462.A O no hydrogen 2.976 N/A ALA 467.A N VAL 463.A O no hydrogen 2.954 N/A ALA 468.A N ALA 464.A O no hydrogen 2.948 N/A GLU 469.A N ARG 465.A O no hydrogen 3.109 N/A VAL 470.A N ALA 466.A O no hydrogen 3.184 N/A ALA 471.A N ALA 467.A O no hydrogen 3.270 N/A GLY 472.A N ALA 468.A O no hydrogen 2.678 N/A GLN 473.A N GLU 469.A O no hydrogen 2.755 N/A GLN 473.A NE2 ASN 389.A OD1 no hydrogen 2.736 N/A PHE 474.A N VAL 470.A O no hydrogen 2.872 N/A VAL 475.A N ALA 471.A O no hydrogen 2.925 N/A ILE 476.A N GLY 472.A O no hydrogen 2.836 N/A LYS 477.A N GLN 473.A O no hydrogen 2.899 N/A LEU 478.A N PHE 474.A O no hydrogen 2.985 N/A THR 479.A N VAL 475.A O no hydrogen 3.270 N/A THR 479.A N ILE 476.A O no hydrogen 2.943 N/A THR 479.A OG1 VAL 475.A O no hydrogen 2.846 N/A THR 479.A OG1 ILE 476.A O no hydrogen 3.449 N/A HIS 480.A N LYS 477.A O no hydrogen 3.213 N/A ASP 481.A N LYS 477.A O no hydrogen 3.202 N/A LEU 484.A N ASN 552.A OD1 no hydrogen 3.127 N/A ASN 485.A ND2 ASP 481.A OD2 no hydrogen 2.854 N/A ASP 487.A N LEU 378.A O no hydrogen 2.783 N/A TYR 488.A OH THR 534.A OG1 no hydrogen 2.789 N/A ARG 490.A N ASP 487.A O no hydrogen 3.072 N/A ARG 490.A NE ASP 487.A OD2 no hydrogen 3.246 N/A ARG 490.A NH2 THR 381.A OG1 no hydrogen 3.212 N/A TYR 491.A N TYR 488.A O no hydrogen 3.246 N/A TYR 491.A OH GLU 559.A OE2 no hydrogen 2.500 N/A ASN 492.A N GLU 489.A O no hydrogen 2.955 N/A ASN 492.A ND2 THR 530.A OG1 no hydrogen 3.070 N/A SER 493.A OG ARG 490.A O no hydrogen 3.461 N/A GLN 494.A N ARG 490.A O no hydrogen 3.382 N/A LEU 495.A N TYR 491.A O no hydrogen 2.995 N/A LEU 496.A N ASN 492.A O no hydrogen 2.799 N/A SER 497.A N SER 493.A O no hydrogen 2.724 N/A PHE 498.A N GLN 494.A O no hydrogen 2.938 N/A VAL 499.A N LEU 495.A O no hydrogen 2.858 N/A ARG 500.A N LEU 496.A O no hydrogen 2.679 N/A ASP 501.A N SER 497.A O no hydrogen 3.066 N/A LEU 502.A N PHE 498.A O no hydrogen 2.907 N/A ASN 503.A N VAL 499.A O no hydrogen 2.697 N/A ASN 503.A ND2 TYR 520.A OH no hydrogen 2.604 N/A GLN 504.A N ASP 501.A O no hydrogen 2.955 N/A TYR 505.A N LEU 502.A O no hydrogen 3.042 N/A ARG 506.A N ASN 503.A O no hydrogen 3.432 N/A ARG 506.A NE TYR 520.A OH no hydrogen 3.490 N/A ILE 509.A N TYR 505.A O no hydrogen 3.095 N/A LYS 510.A N ALA 507.A O no hydrogen 2.899 N/A GLU 511.A N ALA 507.A O no hydrogen 3.262 N/A GLY 513.A N LYS 510.A O no hydrogen 2.839 N/A LEU 514.A N ILE 509.A O no hydrogen 3.080 N/A GLN 517.A N SER 515.A OG no hydrogen 3.102 N/A TYR 520.A N LEU 516.A O no hydrogen 3.013 N/A SER 521.A N GLN 517.A O no hydrogen 3.030 N/A ALA 522.A N TRP 518.A O no hydrogen 3.070 N/A ARG 523.A N LEU 519.A O no hydrogen 3.013 N/A GLY 524.A N TYR 520.A O no hydrogen 2.850 N/A ASP 525.A N SER 521.A O no hydrogen 2.872 N/A PHE 526.A N ALA 522.A O no hydrogen 2.873 N/A PHE 527.A N ARG 523.A O no hydrogen 3.027 N/A ARG 528.A N GLY 524.A O no hydrogen 2.910 N/A ARG 528.A NE ASP 525.A OD1 no hydrogen 3.380 N/A ARG 528.A NH2 ASP 525.A OD1 no hydrogen 2.778 N/A ALA 529.A N ASP 525.A O no hydrogen 2.907 N/A THR 530.A N PHE 526.A O no hydrogen 2.858 N/A THR 530.A OG1 PHE 527.A O no hydrogen 3.055 N/A SER 531.A N PHE 527.A O no hydrogen 2.953 N/A SER 531.A OG PHE 527.A O no hydrogen 3.568 N/A ARG 532.A N ARG 528.A O no hydrogen 2.928 N/A LEU 533.A N ALA 529.A O no hydrogen 3.106 N/A THR 534.A N THR 530.A O no hydrogen 2.895 N/A THR 534.A OG1 TYR 488.A OH no hydrogen 2.789 N/A THR 534.A OG1 GLU 489.A OE2 no hydrogen 2.953 N/A THR 534.A OG1 THR 530.A O no hydrogen 3.403 N/A THR 535.A N SER 531.A O no hydrogen 3.095 N/A THR 535.A OG1 SER 531.A O no hydrogen 3.164 N/A ASP 536.A N ARG 532.A O no hydrogen 2.872 N/A PHE 537.A N LEU 533.A O no hydrogen 2.980 N/A GLY 538.A N THR 534.A O no hydrogen 2.970 N/A ASN 539.A N THR 535.A O no hydrogen 2.883 N/A ALA 540.A N PHE 537.A O no hydrogen 3.118 N/A LYS 542.A NZ GLU 483.A OE2 no hydrogen 3.140 N/A LYS 542.A NZ PHE 537.A O no hydrogen 2.869 N/A ASP 544.A N GLU 541.A O no hydrogen 2.749 N/A PHE 546.A N ASP 544.A OD1 no hydrogen 3.433 N/A MET 548.A N ASP 544.A O no hydrogen 3.101 N/A LYS 549.A N ARG 545.A O no hydrogen 2.954 N/A LYS 550.A N PHE 546.A O no hydrogen 3.140 N/A LEU 551.A N VAL 547.A O no hydrogen 2.955 N/A ASN 552.A N MET 548.A O no hydrogen 2.588 N/A ASN 552.A ND2 VAL 482.A O no hydrogen 2.843 N/A ASP 553.A N LYS 549.A O no hydrogen 2.779 N/A ARG 554.A N LYS 550.A O no hydrogen 3.319 N/A ARG 554.A NH2 ASP 536.A OD2 no hydrogen 3.440 N/A VAL 555.A N LEU 551.A O no hydrogen 3.174 N/A MET 556.A N ASN 552.A O no hydrogen 2.882 N/A ARG 557.A N ARG 554.A O no hydrogen 3.269 N/A VAL 558.A N VAL 555.A O no hydrogen 3.307 N/A HIS 561.A N ARG 557.A O no hydrogen 3.125 N/A HIS 561.A N VAL 558.A O no hydrogen 3.028 N/A PHE 562.A N GLU 559.A O no hydrogen 3.025 N/A LEU 563.A N TYR 560.A O no hydrogen 2.900 N/A SER 564.A N ARG 575.A O no hydrogen 2.900 N/A TYR 566.A N SER 564.A OG no hydrogen 3.136 N/A LYS 570.A N SER 568.A OG no hydrogen 3.181 N/A SER 572.A N SER 568.A O no hydrogen 2.847 N/A ARG 575.A N PRO 573.A O no hydrogen 3.020 N/A ARG 575.A NH1 SER 564.A O no hydrogen 2.852 N/A ARG 575.A NH2 TYR 560.A OH no hydrogen 3.501 N/A HIS 576.A N ALA 423.A O no hydrogen 3.371 N/A HIS 576.A NE2 GLU 559.A OE2 no hydrogen 2.755 N/A VAL 577.A N PHE 562.A O no hydrogen 3.008 N/A PHE 578.A N HIS 576.A ND1 no hydrogen 3.049 N/A TRP 579.A N HIS 576.A ND1 no hydrogen 3.236 N/A TRP 579.A NE1 TYR 491.A OH no hydrogen 3.053 N/A GLY 580.A N HIS 576.A O no hydrogen 2.617 N/A SER 581.A N PHE 574.A O no hydrogen 2.917 N/A HIS 584.A NE2 PHE 574.A O no hydrogen 2.852 N/A THR 585.A N GLY 582.A O no hydrogen 3.459 N/A THR 585.A OG1 GLY 582.A O no hydrogen 3.412 N/A LEU 586.A N VAL 577.A O no hydrogen 2.754 N/A ALA 588.A N THR 585.A OG1 no hydrogen 3.168 N/A LEU 589.A N THR 585.A O no hydrogen 3.170 N/A LEU 590.A N LEU 586.A O no hydrogen 3.130 N/A GLU 591.A N PRO 587.A O no hydrogen 2.924 N/A ASN 592.A N ALA 588.A O no hydrogen 2.978 N/A ASN 592.A ND2 ASN 604.A O no hydrogen 3.437 N/A ASN 592.A ND2 GLN 611.A OE1 no hydrogen 3.329 N/A LEU 593.A N LEU 590.A O no hydrogen 3.011 N/A LYS 594.A N LEU 590.A O no hydrogen 2.824 N/A ARG 596.A N LEU 593.A O no hydrogen 3.161 N/A ARG 596.A NH1 GLU 511.A OE1 no hydrogen 2.833 N/A ARG 596.A NH2 GLU 511.A OE1 no hydrogen 2.851 N/A THR 606.A OG1 ASN 604.A OD1 no hydrogen 2.643 N/A LEU 607.A N ASN 604.A OD1 no hydrogen 3.328 N/A PHE 608.A N ASN 604.A O no hydrogen 3.088 N/A ARG 609.A N GLU 605.A O no hydrogen 3.138 N/A ARG 609.A NH1 MET 512.A O no hydrogen 2.926 N/A ARG 609.A NH1 GLU 605.A OE2 no hydrogen 3.551 N/A ASN 610.A N THR 606.A O no hydrogen 3.166 N/A GLN 611.A N LEU 607.A O no hydrogen 2.765 N/A GLN 611.A NE2 SER 583.A O no hydrogen 3.073 N/A LEU 612.A N PHE 608.A O no hydrogen 2.677 N/A ALA 613.A N ARG 609.A O no hydrogen 3.120 N/A LEU 614.A N ASN 610.A O no hydrogen 2.746 N/A ALA 615.A N GLN 611.A O no hydrogen 2.833 N/A THR 616.A N LEU 612.A O no hydrogen 2.979 N/A THR 616.A OG1 LEU 612.A O no hydrogen 2.503 N/A TRP 617.A N ALA 613.A O no hydrogen 2.835 N/A THR 618.A N LEU 614.A O no hydrogen 2.793 N/A THR 618.A OG1 LEU 614.A O no hydrogen 2.854 N/A ILE 619.A N ALA 615.A O no hydrogen 2.934 N/A GLN 620.A N THR 616.A O no hydrogen 2.812 N/A GLY 621.A N TRP 617.A O no hydrogen 2.808 N/A ALA 622.A N THR 618.A O no hydrogen 2.959 N/A ALA 623.A N ILE 619.A O no hydrogen 2.938 N/A ASN 624.A N GLN 620.A O no hydrogen 2.764 N/A ALA 625.A N GLY 621.A O no hydrogen 2.789 N/A LEU 626.A N ALA 623.A O no hydrogen 3.119 N/A SER 627.A OG ASN 624.A O no hydrogen 3.054 N/A ASP 632.A N ASP 629.A O no hydrogen 2.708 N/A