Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N MET 1.A O no hydrogen 3.149 N/A LEU 4.A N ARG 306.A O no hydrogen 2.961 N/A GLY 5.A N HIS 3.A ND1 no hydrogen 2.889 N/A LYS 6.A NZ TYR 305.A OH no hydrogen 2.691 N/A THR 7.A N ALA 304.A O no hydrogen 2.913 N/A THR 7.A OG1 GLU 8.A O no hydrogen 3.282 N/A VAL 9.A N ALA 302.A O no hydrogen 2.944 N/A PHE 10.A N TYR 573.A O no hydrogen 2.826 N/A LEU 11.A N VAL 300.A O no hydrogen 3.064 N/A ASN 12.A ND2 VAL 167.A O no hydrogen 3.007 N/A ALA 15.A N GLU 298.A O no hydrogen 2.653 N/A LEU 16.A N PHE 163.A O no hydrogen 2.914 N/A ARG 17.A N LEU 294.A O no hydrogen 2.935 N/A ARG 17.A NE GLY 293.A O no hydrogen 3.166 N/A ARG 17.A NH1 PRO 18.A O no hydrogen 3.311 N/A ARG 17.A NH1 GLU 23.A OE1 no hydrogen 3.206 N/A ARG 17.A NH1 GLU 23.A OE2 no hydrogen 2.879 N/A ARG 17.A NH2 GLU 23.A OE1 no hydrogen 2.601 N/A LEU 19.A N GLY 161.A O no hydrogen 2.687 N/A ASN 20.A N GLU 23.A OE2 no hydrogen 2.622 N/A GLU 23.A N ASN 20.A OD1 no hydrogen 2.923 N/A LEU 24.A N ASN 20.A O no hydrogen 3.200 N/A ARG 25.A N GLU 22.A O no hydrogen 3.004 N/A TRP 27.A N SER 66.A O no hydrogen 2.873 N/A ARG 28.A N GLY 94.A O no hydrogen 2.786 N/A LEU 29.A N LEU 64.A O no hydrogen 2.891 N/A GLU 30.A N TYR 91.A O no hydrogen 2.882 N/A VAL 32.A N ARG 89.A O no hydrogen 2.954 N/A ASP 34.A N ALA 87.A O no hydrogen 2.917 N/A GLU 41.A N GLY 38.A O no hydrogen 3.135 N/A LEU 45.A N GLU 41.A O no hydrogen 3.176 N/A LEU 46.A N VAL 42.A O no hydrogen 2.942 N/A ALA 47.A N TYR 43.A O no hydrogen 2.940 N/A GLN 48.A N PRO 44.A O no hydrogen 2.903 N/A GLN 48.A NE2 ALA 80.A O no hydrogen 3.204 N/A VAL 49.A N LEU 45.A O no hydrogen 2.865 N/A ALA 50.A N LEU 46.A O no hydrogen 2.951 N/A ARG 51.A N ALA 47.A O no hydrogen 2.940 N/A ARG 52.A N GLN 48.A O no hydrogen 2.931 N/A ALA 53.A N VAL 49.A O no hydrogen 2.920 N/A GLY 54.A N ARG 51.A O no hydrogen 3.228 N/A THR 57.A OG1 ALA 50.A O no hydrogen 3.256 N/A VAL 58.A N ALA 65.A O no hydrogen 2.889 N/A ARG 59.A NH1 GLY 61.A O no hydrogen 3.473 N/A MET 60.A N GLY 63.A O no hydrogen 2.873 N/A GLY 63.A N MET 60.A O no hydrogen 2.874 N/A LEU 64.A N LEU 29.A O no hydrogen 2.907 N/A ALA 65.A N VAL 58.A O no hydrogen 2.933 N/A SER 66.A N TRP 27.A O no hydrogen 2.905 N/A SER 66.A OG VAL 56.A O no hydrogen 3.169 N/A SER 66.A OG SER 68.A O no hydrogen 3.054 N/A TRP 67.A N VAL 56.A O no hydrogen 2.834 N/A TRP 67.A NE1 GLU 23.A O no hydrogen 2.657 N/A SER 68.A N SER 66.A OG no hydrogen 2.996 N/A VAL 72.A N PRO 69.A O no hydrogen 3.022 N/A LEU 73.A N PRO 70.A O no hydrogen 3.005 N/A VAL 74.A N ALA 53.A O no hydrogen 3.105 N/A GLY 77.A N TYR 88.A O no hydrogen 2.948 N/A LEU 79.A N TYR 86.A O no hydrogen 2.819 N/A TYR 86.A N LEU 79.A O no hydrogen 2.919 N/A ALA 87.A N ASP 34.A O no hydrogen 2.831 N/A TYR 88.A N GLY 77.A O no hydrogen 2.923 N/A TYR 88.A OH VAL 74.A O no hydrogen 2.661 N/A ARG 89.A N VAL 32.A O no hydrogen 2.916 N/A LEU 90.A N LEU 75.A O no hydrogen 2.529 N/A TYR 91.A N GLU 30.A O no hydrogen 2.905 N/A LYS 93.A N ARG 28.A O no hydrogen 2.897 N/A LYS 93.A NZ GLU 30.A OE2 no hydrogen 2.305 N/A ARG 95.A NE ARG 25.A O no hydrogen 2.726 N/A ARG 95.A NH1 GLU 22.A O no hydrogen 3.146 N/A ARG 95.A NH1 GLU 22.A OE1 no hydrogen 3.145 N/A ARG 95.A NH1 ARG 25.A O no hydrogen 3.156 N/A ARG 95.A NH2 GLU 22.A OE1 no hydrogen 2.900 N/A LEU 98.A N LEU 24.A O no hydrogen 2.766 N/A ASP 99.A N GLU 105.A OE1 no hydrogen 2.679 N/A LYS 101.A N ASP 99.A OD1 no hydrogen 2.865 N/A ASP 102.A N ASP 99.A O no hydrogen 3.080 N/A GLU 105.A N ASP 102.A OD1 no hydrogen 3.109 N/A ARG 106.A N ASP 102.A O no hydrogen 2.737 N/A ARG 106.A NE PRO 100.A O no hydrogen 2.653 N/A SER 107.A N PRO 103.A O no hydrogen 2.895 N/A VAL 108.A N GLY 104.A O no hydrogen 3.011 N/A LEU 109.A N GLU 105.A O no hydrogen 2.944 N/A SER 110.A N ARG 106.A O no hydrogen 2.899 N/A SER 110.A OG ARG 106.A O no hydrogen 3.112 N/A ALA 111.A N SER 107.A O no hydrogen 2.956 N/A LEU 112.A N VAL 108.A O no hydrogen 2.955 N/A ALA 113.A N LEU 109.A O no hydrogen 2.857 N/A ARG 114.A N SER 110.A O no hydrogen 2.940 N/A ARG 115.A N ALA 111.A O no hydrogen 2.986 N/A ARG 115.A NH1 GLU 119.A OE2 no hydrogen 2.519 N/A LEU 116.A N LEU 112.A O no hydrogen 2.818 N/A LEU 117.A N ALA 113.A O no hydrogen 2.909 N/A GLN 118.A N ARG 114.A O no hydrogen 2.942 N/A GLU 119.A N ARG 115.A O no hydrogen 2.889 N/A ARG 120.A N LEU 116.A O no hydrogen 2.901 N/A LEU 121.A N LEU 117.A O no hydrogen 2.945 N/A ARG 122.A N GLN 118.A O no hydrogen 2.922 N/A ARG 123.A N GLU 119.A O no hydrogen 3.281 N/A LEU 124.A N LEU 121.A O no hydrogen 3.056 N/A TRP 128.A N TYR 135.A O no hydrogen 2.946 N/A GLU 130.A N ALA 133.A O no hydrogen 2.988 N/A ALA 133.A N GLU 130.A O no hydrogen 2.837 N/A VAL 134.A N ALA 151.A O no hydrogen 2.901 N/A TYR 135.A N TRP 128.A O no hydrogen 2.825 N/A ARG 136.A N GLY 149.A O no hydrogen 2.930 N/A ARG 137.A N GLY 149.A O no hydrogen 3.268 N/A HIS 139.A N VAL 147.A O no hydrogen 2.671 N/A ALA 140.A N VAL 147.A O no hydrogen 3.126 N/A ARG 141.A NH1 GLU 176.A OE1 no hydrogen 2.612 N/A ARG 141.A NH1 GLU 176.A OE2 no hydrogen 3.557 N/A ARG 141.A NH2 GLU 176.A OE1 no hydrogen 2.654 N/A GLY 142.A N TRP 145.A O no hydrogen 2.848 N/A TRP 145.A N GLY 142.A O no hydrogen 2.967 N/A ARG 146.A N LEU 174.A O no hydrogen 2.927 N/A VAL 147.A N ALA 140.A O no hydrogen 2.786 N/A LEU 148.A N ARG 172.A O no hydrogen 2.869 N/A GLY 149.A N ARG 137.A O no hydrogen 3.188 N/A GLY 150.A N ALA 170.A O no hydrogen 2.873 N/A ALA 151.A N VAL 134.A O no hydrogen 2.837 N/A VAL 152.A N ASP 168.A O no hydrogen 2.879 N/A LEU 153.A N LEU 132.A O no hydrogen 2.852 N/A ASP 154.A N GLU 166.A O no hydrogen 2.982 N/A LEU 155.A N ASP 154.A OD1 no hydrogen 2.800 N/A TRP 156.A N LEU 164.A O no hydrogen 2.974 N/A VAL 157.A N SER 110.A OG no hydrogen 2.821 N/A SER 158.A N ALA 162.A O no hydrogen 2.880 N/A SER 158.A OG SER 160.A OG no hydrogen 2.887 N/A SER 158.A OG ALA 162.A O no hydrogen 3.399 N/A ASP 159.A N ASP 159.A OD1 no hydrogen 2.492 N/A SER 160.A N SER 158.A OG no hydrogen 3.422 N/A SER 160.A OG SER 158.A OG no hydrogen 2.887 N/A GLY 161.A N SER 158.A O no hydrogen 3.125 N/A ALA 162.A N SER 158.A OG no hydrogen 3.328 N/A PHE 163.A N ARG 17.A O no hydrogen 3.041 N/A LEU 164.A N TRP 156.A O no hydrogen 2.902 N/A LEU 165.A N PHE 14.A O no hydrogen 2.912 N/A GLU 166.A N ASP 154.A O no hydrogen 2.873 N/A VAL 167.A N ASN 12.A O no hydrogen 3.272 N/A ASP 168.A N VAL 152.A O no hydrogen 2.959 N/A ALA 170.A N GLY 150.A O no hydrogen 2.926 N/A ARG 172.A N LEU 148.A O no hydrogen 2.918 N/A ARG 172.A NH1 GLU 130.A OE2 no hydrogen 2.613 N/A LEU 174.A N ARG 146.A O no hydrogen 2.864 N/A CYS 175.A SG GLY 144.A O no hydrogen 3.635 N/A CYS 175.A SG MET 177.A O no hydrogen 3.598 N/A GLU 176.A N GLY 144.A O no hydrogen 3.184 N/A LEU 179.A N LEU 257.A O no hydrogen 2.581 N/A GLU 180.A N THR 254.A O no hydrogen 3.104 N/A ALA 181.A N SER 178.A OG no hydrogen 3.147 N/A TRP 182.A N SER 178.A O no hydrogen 2.701 N/A LEU 183.A N LEU 179.A O no hydrogen 2.917 N/A ALA 184.A N GLU 180.A O no hydrogen 2.891 N/A GLN 185.A N TRP 182.A O no hydrogen 3.228 N/A GLY 186.A N LEU 183.A O no hydrogen 3.466 N/A HIS 187.A NE2 PRO 143.A O no hydrogen 3.166 N/A LYS 191.A NZ GLU 264.A OE1 no hydrogen 3.049 N/A LYS 191.A NZ GLU 264.A OE2 no hydrogen 3.423 N/A VAL 193.A N TRP 202.A O no hydrogen 2.969 N/A ARG 194.A N VAL 258.A O no hydrogen 2.830 N/A ARG 194.A NE ARG 199.A O no hydrogen 2.971 N/A ASN 195.A N ARG 200.A O no hydrogen 2.950 N/A ASN 195.A ND2 ASP 198.A OD1 no hydrogen 2.830 N/A ALA 196.A N LEU 256.A O no hydrogen 2.865 N/A TYR 197.A OH HIS 252.A NE2 no hydrogen 3.190 N/A ARG 200.A NH1 ASP 198.A OD2 no hydrogen 3.314 N/A TRP 202.A N VAL 193.A O no hydrogen 2.735 N/A TRP 202.A NE1 ASN 195.A OD1 no hydrogen 2.584 N/A LEU 204.A N LYS 191.A O no hydrogen 3.106 N/A LEU 205.A N TRP 243.A O no hydrogen 2.908 N/A ARG 206.A N TRP 243.A O no hydrogen 3.349 N/A ARG 206.A NH1 LEU 207.A O no hydrogen 3.557 N/A GLY 208.A N VAL 241.A O no hydrogen 2.583 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.805 N/A GLU 214.A N ASP 211.A O no hydrogen 3.089 N/A LEU 217.A N LEU 221.A O no hydrogen 2.597 N/A GLY 220.A N LEU 217.A O no hydrogen 3.036 N/A SER 222.A OG PRO 212.A O no hydrogen 3.413 N/A SER 222.A OG ASP 225.A OD1 no hydrogen 2.321 N/A LEU 223.A N LEU 215.A O no hydrogen 3.037 N/A LEU 224.A N PRO 212.A O no hydrogen 3.018 N/A TYR 226.A N SER 222.A O no hydrogen 3.121 N/A HIS 227.A N LEU 223.A O no hydrogen 3.013 N/A ALA 228.A N LEU 224.A O no hydrogen 2.912 N/A SER 229.A N ASP 225.A O no hydrogen 2.879 N/A GLY 231.A N ALA 228.A O no hydrogen 2.901 N/A ARG 232.A N HIS 227.A O no hydrogen 3.168 N/A ARG 232.A NH1 HIS 227.A ND1 no hydrogen 3.184 N/A ARG 236.A N LEU 233.A O no hydrogen 3.517 N/A ARG 240.A N THR 254.A OG1 no hydrogen 2.475 N/A ALA 242.A N HIS 252.A O no hydrogen 2.880 N/A TRP 243.A N ARG 206.A O no hydrogen 2.697 N/A TRP 243.A NE1 GLU 210.A OE2 no hydrogen 2.670 N/A VAL 244.A N ILE 250.A O no hydrogen 2.928 N/A ASP 246.A N LYS 248.A O no hydrogen 3.178 N/A ILE 250.A N VAL 244.A O no hydrogen 2.860 N/A HIS 252.A NE2 ASN 195.A OD1 no hydrogen 2.760 N/A LEU 253.A N HIS 252.A ND1 no hydrogen 2.833 N/A THR 254.A N ARG 240.A O no hydrogen 2.820 N/A THR 254.A OG1 GLU 180.A OE1 no hydrogen 2.920 N/A THR 254.A OG1 ARG 240.A O no hydrogen 3.361 N/A GLY 255.A N GLY 238.A O no hydrogen 2.726 N/A LEU 256.A N LEU 253.A O no hydrogen 3.183 N/A VAL 258.A N ARG 194.A O no hydrogen 2.877 N/A VAL 260.A N ARG 192.A O no hydrogen 3.248 N/A THR 262.A N ASP 265.A OD2 no hydrogen 2.924 N/A THR 262.A OG1 ASP 265.A OD2 no hydrogen 3.506 N/A GLU 264.A N THR 262.A OG1 no hydrogen 3.275 N/A ASP 265.A N THR 262.A O no hydrogen 3.154 N/A LEU 266.A N LEU 263.A O no hydrogen 3.028 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.773 N/A ARG 277.A N PRO 273.A O no hydrogen 3.047 N/A ARG 277.A NH1 ASP 168.A OD1 no hydrogen 2.998 N/A ARG 277.A NH1 PRO 169.A O no hydrogen 2.795 N/A ARG 278.A N TRP 274.A O no hydrogen 2.890 N/A ARG 279.A N GLU 275.A O no hydrogen 2.935 N/A ARG 279.A NH1 GLU 283.A OE2 no hydrogen 3.265 N/A ARG 280.A N GLU 276.A O no hydrogen 2.913 N/A ARG 280.A NE GLU 276.A OE2 no hydrogen 3.271 N/A ARG 280.A NH2 GLU 276.A OE2 no hydrogen 3.296 N/A THR 281.A N ARG 277.A O no hydrogen 2.883 N/A THR 281.A OG1 ARG 277.A O no hydrogen 2.329 N/A ARG 282.A N ARG 278.A O no hydrogen 2.958 N/A GLU 283.A N ARG 279.A O no hydrogen 2.949 N/A ILE 284.A N ARG 280.A O no hydrogen 2.914 N/A ALA 285.A N THR 281.A O no hydrogen 2.980 N/A SER 286.A N ARG 282.A O no hydrogen 2.934 N/A SER 286.A OG ARG 282.A O no hydrogen 3.557 N/A SER 286.A OG GLU 283.A O no hydrogen 2.787 N/A TRP 287.A N GLU 283.A O no hydrogen 2.959 N/A ILE 288.A N ILE 284.A O no hydrogen 2.862 N/A GLY 289.A N ALA 285.A O no hydrogen 2.927 N/A ARG 290.A N SER 286.A O no hydrogen 2.940 N/A ARG 291.A N TRP 287.A O no hydrogen 2.903 N/A LEU 292.A N ILE 288.A O no hydrogen 3.068 N/A LEU 294.A N GLY 289.A O no hydrogen 2.973 N/A GLU 298.A N ALA 15.A O no hydrogen 2.938 N/A VAL 300.A N ARG 13.A O no hydrogen 3.290 N/A ARG 301.A NH1 GLU 8.A OE1 no hydrogen 2.696 N/A ALA 302.A N VAL 9.A O no hydrogen 2.933 N/A GLN 303.A NE2 GLU 8.A OE2 no hydrogen 3.265 N/A ALA 304.A N THR 7.A O no hydrogen 2.846 N/A TYR 305.A N TYR 584.A O no hydrogen 2.851 N/A ARG 306.A N GLY 5.A O no hydrogen 2.971 N/A LEU 307.A N GLY 582.A O no hydrogen 2.887 N/A SER 308.A OG HIS 624.A NE2 no hydrogen 3.059 N/A SER 308.A OG HIS 628.A NE2 no hydrogen 3.338 N/A MET 313.A N ALA 455.A O no hydrogen 2.770 N/A GLY 314.A N ARG 316.A O no hydrogen 2.738 N/A ARG 315.A N GLY 328.A O no hydrogen 2.864 N/A ARG 315.A NH1 SER 363.A O no hydrogen 2.840 N/A VAL 318.A N LEU 312.A O no hydrogen 2.938 N/A SER 319.A N ASP 323.A OD2 no hydrogen 3.461 N/A SER 319.A OG ASP 323.A OD2 no hydrogen 3.235 N/A LYS 320.A NZ ASP 323.A OD1 no hydrogen 2.989 N/A ALA 322.A N GLY 637.A O no hydrogen 3.254 N/A ASP 323.A N LYS 320.A O no hydrogen 3.057 N/A ALA 324.A N PRO 321.A O no hydrogen 2.886 N/A LEU 325.A N ALA 322.A O no hydrogen 3.017 N/A ARG 326.A N ASP 323.A O no hydrogen 3.004 N/A ARG 326.A NH1 GLU 439.A OE1 no hydrogen 3.204 N/A ARG 326.A NH1 GLU 439.A OE2 no hydrogen 2.772 N/A ARG 326.A NH2 GLU 439.A OE1 no hydrogen 3.075 N/A ARG 326.A NH2 GLU 439.A OE2 no hydrogen 3.127 N/A VAL 327.A N ASP 323.A O no hydrogen 2.897 N/A GLY 328.A N ALA 324.A O no hydrogen 2.867 N/A PHE 329.A N SER 363.A OG no hydrogen 2.836 N/A TYR 330.A N VAL 453.A O no hydrogen 3.211 N/A TYR 330.A OH ASP 488.A OD2 no hydrogen 2.500 N/A ARG 331.A N GLN 452.A O no hydrogen 3.233 N/A ARG 331.A NH1 GLY 490.A O no hydrogen 2.859 N/A ARG 331.A NH2 GLY 490.A O no hydrogen 2.783 N/A THR 335.A N SER 366.A O no hydrogen 3.200 N/A ALA 336.A N GLN 395.A OE1 no hydrogen 3.316 N/A LEU 337.A N ARG 368.A O no hydrogen 2.941 N/A ALA 338.A N ALA 396.A O no hydrogen 2.987 N/A LEU 339.A N HIS 370.A O no hydrogen 2.935 N/A LEU 340.A N LEU 398.A O no hydrogen 2.861 N/A ARG 341.A NE GLY 347.A O no hydrogen 3.092 N/A ARG 341.A NH1 GLY 347.A O no hydrogen 3.175 N/A ARG 341.A NH2 ASP 343.A OD1 no hydrogen 3.448 N/A ARG 341.A NH2 ASP 343.A OD2 no hydrogen 2.952 N/A LEU 342.A N LEU 400.A O no hydrogen 2.818 N/A ALA 345.A N ASP 343.A OD1 no hydrogen 3.382 N/A TRP 348.A NE1 HIS 370.A O no hydrogen 3.031 N/A ARG 353.A N PRO 349.A O no hydrogen 3.176 N/A ARG 354.A N GLU 350.A O no hydrogen 2.918 N/A ARG 354.A NH2 GLU 432.A OE2 no hydrogen 2.770 N/A ALA 355.A N PHE 351.A O no hydrogen 2.931 N/A LEU 356.A N LEU 352.A O no hydrogen 2.954 N/A LEU 357.A N ARG 353.A O no hydrogen 2.931 N/A ARG 358.A N ARG 354.A O no hydrogen 2.855 N/A ALA 359.A N ALA 355.A O no hydrogen 2.938 N/A PHE 360.A N LEU 356.A O no hydrogen 2.957 N/A GLY 361.A N LEU 357.A O no hydrogen 2.900 N/A ALA 362.A N ARG 358.A O no hydrogen 2.917 N/A SER 363.A N ALA 359.A O no hydrogen 2.948 N/A SER 363.A OG ALA 359.A O no hydrogen 2.947 N/A GLY 364.A N GLY 361.A O no hydrogen 3.016 N/A ALA 365.A N PHE 360.A O no hydrogen 2.925 N/A ARG 368.A N THR 335.A O no hydrogen 2.928 N/A ARG 368.A NH2 HIS 370.A NE2 no hydrogen 2.881 N/A ARG 368.A NH2 GLU 392.A O no hydrogen 3.096 N/A HIS 370.A N LEU 337.A O no hydrogen 2.813 N/A LEU 372.A N LEU 339.A O no hydrogen 2.714 N/A HIS 375.A N GLN 378.A OE1 no hydrogen 2.846 N/A SER 377.A N HIS 375.A ND1 no hydrogen 2.979 N/A GLN 378.A N HIS 375.A O no hydrogen 2.800 N/A GLY 379.A N PRO 376.A O no hydrogen 3.092 N/A PHE 382.A N GLY 379.A O no hydrogen 2.908 N/A ARG 383.A NH2 GLU 419.A OE2 no hydrogen 2.550 N/A GLU 384.A N LEU 380.A O no hydrogen 2.944 N/A ALA 385.A N ALA 381.A O no hydrogen 2.988 N/A LEU 386.A N PHE 382.A O no hydrogen 2.929 N/A ARG 387.A N ARG 383.A O no hydrogen 2.885 N/A ARG 387.A NE GLU 384.A OE1 no hydrogen 3.142 N/A ARG 387.A NH1 GLU 391.A OE2 no hydrogen 3.456 N/A ARG 387.A NH2 GLU 384.A OE2 no hydrogen 2.876 N/A LYS 388.A N GLU 384.A O no hydrogen 2.958 N/A ALA 389.A N ALA 385.A O no hydrogen 2.952 N/A LYS 390.A N LEU 386.A O no hydrogen 2.917 N/A LYS 390.A NZ GLU 419.A O no hydrogen 3.490 N/A LYS 390.A NZ GLY 420.A O no hydrogen 3.285 N/A GLU 391.A N ARG 387.A O no hydrogen 2.934 N/A GLU 392.A N LYS 388.A O no hydrogen 2.982 N/A GLY 393.A N LYS 390.A O no hydrogen 3.009 N/A VAL 394.A N ALA 389.A O no hydrogen 3.101 N/A GLN 395.A N ALA 336.A O no hydrogen 2.841 N/A GLN 395.A NE2 GLU 334.A O no hydrogen 3.508 N/A VAL 397.A N PRO 422.A O no hydrogen 2.976 N/A LEU 398.A N ALA 338.A O no hydrogen 2.874 N/A VAL 399.A N GLN 424.A O no hydrogen 2.852 N/A LEU 400.A N LEU 340.A O no hydrogen 2.894 N/A THR 401.A N LEU 426.A O no hydrogen 3.037 N/A THR 401.A OG1 PRO 402.A O no hydrogen 2.645 N/A ARG 409.A N ALA 405.A O no hydrogen 2.996 N/A ARG 409.A NH1 ASN 410.A OD1 no hydrogen 2.971 N/A ARG 409.A NH1 GLU 656.A OE1 no hydrogen 3.046 N/A ARG 409.A NH1 GLU 656.A OE2 no hydrogen 3.428 N/A ARG 409.A NH2 GLU 656.A OE1 no hydrogen 3.398 N/A ARG 409.A NH2 GLU 656.A OE2 no hydrogen 3.329 N/A ASN 410.A N TRP 406.A O no hydrogen 2.929 N/A ARG 411.A N GLU 407.A O no hydrogen 2.910 N/A LEU 412.A N ASP 408.A O no hydrogen 2.912 N/A LYS 413.A N ARG 409.A O no hydrogen 2.979 N/A LYS 413.A NZ SER 423.A OG no hydrogen 3.112 N/A ALA 414.A N ASN 410.A O no hydrogen 2.934 N/A LEU 415.A N ARG 411.A O no hydrogen 2.941 N/A LEU 416.A N LEU 412.A O no hydrogen 2.958 N/A LEU 417.A N LYS 413.A O no hydrogen 2.943 N/A ARG 418.A N ALA 414.A O no hydrogen 2.951 N/A ARG 418.A NH1 HIS 664.A ND1 no hydrogen 2.970 N/A GLU 419.A N LEU 416.A O no hydrogen 2.979 N/A GLY 420.A N LEU 417.A O no hydrogen 2.776 N/A LEU 421.A N LEU 416.A O no hydrogen 2.891 N/A GLN 424.A N VAL 397.A O no hydrogen 2.871 N/A GLN 424.A NE2 ILE 425.A O no hydrogen 2.984 N/A LEU 426.A N VAL 399.A O no hydrogen 2.848 N/A VAL 428.A N THR 401.A O no hydrogen 2.937 N/A ARG 431.A N GLU 434.A OE2 no hydrogen 2.627 N/A ARG 431.A NE GLU 433.A OE2 no hydrogen 2.865 N/A GLU 433.A N GLU 433.A OE1 no hydrogen 2.917 N/A GLU 434.A N ARG 431.A O no hydrogen 3.041 N/A ARG 437.A NE GLU 434.A OE1 no hydrogen 3.383 N/A ARG 437.A NH1 ASN 427.A O no hydrogen 2.860 N/A ARG 437.A NH2 PRO 429.A O no hydrogen 2.978 N/A ARG 437.A NH2 GLU 434.A OE1 no hydrogen 2.941 N/A ARG 437.A NH2 GLU 434.A OE2 no hydrogen 3.160 N/A TRP 438.A N GLU 434.A O no hydrogen 3.300 N/A TRP 438.A NE1 GLU 432.A O no hydrogen 3.058 N/A GLU 439.A N ARG 435.A O no hydrogen 2.870 N/A ASN 440.A N HIS 436.A O no hydrogen 2.950 N/A ALA 441.A N ARG 437.A O no hydrogen 2.945 N/A LEU 442.A N TRP 438.A O no hydrogen 2.914 N/A LEU 443.A N GLU 439.A O no hydrogen 2.933 N/A GLY 444.A N ASN 440.A O no hydrogen 2.943 N/A LEU 445.A N ALA 441.A O no hydrogen 2.863 N/A LEU 446.A N LEU 442.A O no hydrogen 2.905 N/A ALA 447.A N LEU 443.A O no hydrogen 2.990 N/A LYS 448.A N GLY 444.A O no hydrogen 2.909 N/A LYS 448.A NZ SER 423.A O no hydrogen 2.770 N/A LYS 448.A NZ GLN 424.A OE1 no hydrogen 2.832 N/A LYS 448.A NZ VAL 676.A O no hydrogen 3.140 N/A ALA 449.A N LEU 446.A O no hydrogen 3.008 N/A GLY 450.A N ALA 447.A O no hydrogen 2.994 N/A LEU 451.A N LEU 446.A O no hydrogen 3.182 N/A ALA 455.A N MET 313.A O no hydrogen 2.850 N/A LEU 456.A N ASP 488.A O no hydrogen 2.805 N/A SER 457.A N LYS 311.A O no hydrogen 3.191 N/A TYR 460.A OH HIS 628.A ND1 no hydrogen 2.463 N/A ALA 462.A N GLN 625.A OE1 no hydrogen 3.290 N/A GLU 463.A N ARG 531.A O no hydrogen 3.211 N/A ALA 465.A N ALA 484.A O no hydrogen 2.943 N/A VAL 466.A N LEU 533.A O no hydrogen 2.919 N/A GLY 467.A N ALA 482.A O no hydrogen 2.877 N/A PHE 468.A N LEU 535.A O no hydrogen 2.876 N/A ASP 469.A N GLY 480.A O no hydrogen 2.946 N/A ALA 470.A N ASP 469.A OD1 no hydrogen 2.844 N/A GLY 471.A N PHE 478.A O no hydrogen 2.915 N/A ARG 477.A N GLN 500.A O no hydrogen 2.846 N/A PHE 478.A N GLY 471.A O no hydrogen 2.856 N/A GLY 479.A N GLU 498.A O no hydrogen 2.811 N/A GLY 480.A N ASP 469.A O no hydrogen 2.879 N/A ALA 482.A N GLY 467.A O no hydrogen 3.005 N/A CYS 483.A N LEU 493.A O no hydrogen 2.892 N/A CYS 483.A SG LEU 493.A O no hydrogen 4.018 N/A ALA 484.A N ALA 465.A O no hydrogen 2.881 N/A VAL 485.A N HIS 491.A O no hydrogen 2.771 N/A GLY 486.A N GLU 463.A O no hydrogen 2.661 N/A GLY 489.A N GLY 486.A O no hydrogen 2.804 N/A GLY 490.A N ASP 488.A OD1 no hydrogen 3.253 N/A LEU 493.A N CYS 483.A O no hydrogen 2.912 N/A TRP 494.A N ARG 670.A O no hydrogen 3.085 N/A TRP 494.A NE1 ASP 669.A O no hydrogen 3.088 N/A TRP 494.A NE1 LYS 672.A O no hydrogen 2.980 N/A THR 495.A N ALA 481.A O no hydrogen 3.330 N/A THR 495.A OG1 ALA 481.A O no hydrogen 3.035 N/A GLU 498.A N GLY 479.A O no hydrogen 2.900 N/A ALA 499.A N GLU 498.A OE2 no hydrogen 3.145 N/A GLN 500.A N ARG 477.A O no hydrogen 2.857 N/A GLN 500.A NE2 GLY 502.A O no hydrogen 2.742 N/A ARG 504.A NH1 GLN 542.A O no hydrogen 2.972 N/A ARG 504.A NH2 GLN 542.A O no hydrogen 2.872 N/A ILE 505.A N GLU 544.A OE1 no hydrogen 2.619 N/A VAL 510.A N PRO 506.A O no hydrogen 2.843 N/A TRP 511.A N GLN 507.A O no hydrogen 2.993 N/A ASP 512.A N GLU 508.A O no hydrogen 2.881 N/A LEU 513.A N VAL 509.A O no hydrogen 2.924 N/A LEU 514.A N VAL 510.A O no hydrogen 3.028 N/A GLU 515.A N TRP 511.A O no hydrogen 2.808 N/A GLU 516.A N ASP 512.A O no hydrogen 2.960 N/A THR 517.A N LEU 513.A O no hydrogen 3.058 N/A THR 517.A OG1 LEU 514.A O no hydrogen 2.629 N/A LEU 518.A N LEU 514.A O no hydrogen 2.902 N/A TRP 519.A N GLU 515.A O no hydrogen 2.899 N/A ALA 520.A N GLU 516.A O no hydrogen 2.934 N/A PHE 521.A N THR 517.A O no hydrogen 2.942 N/A ARG 522.A N LEU 518.A O no hydrogen 2.914 N/A ARG 522.A NE ARG 522.A O no hydrogen 2.861 N/A ARG 523.A N TRP 519.A O no hydrogen 2.883 N/A LYS 524.A N ALA 520.A O no hydrogen 3.000 N/A LYS 524.A NZ HIS 491.A NE2 no hydrogen 3.121 N/A LYS 524.A NZ GLU 671.A OE2 no hydrogen 2.964 N/A ALA 525.A N PHE 521.A O no hydrogen 2.780 N/A GLY 526.A N ARG 522.A O no hydrogen 2.820 N/A ARG 527.A NH1 GLU 463.A OE1 no hydrogen 3.024 N/A ARG 527.A NH1 GLU 463.A OE2 no hydrogen 3.551 N/A ARG 527.A NH2 GLU 463.A OE2 no hydrogen 2.800 N/A SER 530.A N GLU 463.A OE1 no hydrogen 2.615 N/A ARG 531.A NE ASP 560.A OD2 no hydrogen 3.122 N/A VAL 532.A N ALA 558.A O no hydrogen 2.942 N/A LEU 533.A N LEU 464.A O no hydrogen 2.882 N/A LEU 534.A N ASP 560.A O no hydrogen 2.755 N/A LEU 535.A N VAL 466.A O no hydrogen 2.860 N/A ARG 536.A N VAL 562.A O no hydrogen 2.978 N/A ARG 536.A NH1 GLU 544.A OE2 no hydrogen 2.540 N/A ARG 536.A NH2 GLU 503.A O no hydrogen 3.347 N/A ASP 537.A N PHE 468.A O no hydrogen 2.967 N/A GLY 538.A N VAL 564.A O no hydrogen 2.630 N/A GLN 542.A NE2 ASP 543.A OD1 no hydrogen 3.458 N/A GLU 544.A N PRO 541.A O no hydrogen 2.992 N/A ALA 546.A N ASP 543.A O no hydrogen 3.173 N/A LEU 549.A N PHE 545.A O no hydrogen 2.821 N/A GLU 550.A N ALA 546.A O no hydrogen 2.954 N/A ALA 551.A N LEU 547.A O no hydrogen 2.892 N/A LEU 552.A N ALA 548.A O no hydrogen 2.904 N/A ALA 553.A N LEU 549.A O no hydrogen 2.937 N/A ARG 554.A N GLU 550.A O no hydrogen 2.959 N/A GLU 555.A N ALA 551.A O no hydrogen 3.212 N/A GLU 555.A N LEU 552.A O no hydrogen 3.040 N/A GLY 556.A N ALA 553.A O no hydrogen 3.162 N/A ILE 557.A N LEU 552.A O no hydrogen 3.099 N/A ALA 558.A N SER 530.A O no hydrogen 3.296 N/A ASP 560.A N VAL 532.A O no hydrogen 3.092 N/A LEU 561.A N ALA 614.A O no hydrogen 2.829 N/A VAL 562.A N LEU 534.A O no hydrogen 2.749 N/A SER 563.A N VAL 611.A O no hydrogen 2.901 N/A SER 563.A OG GLY 538.A O no hydrogen 2.627 N/A VAL 564.A N ARG 536.A O no hydrogen 2.858 N/A ARG 565.A N LYS 609.A O no hydrogen 2.858 N/A ARG 565.A NE SER 563.A OG no hydrogen 3.142 N/A LYS 566.A NZ ASP 537.A OD1 no hydrogen 3.055 N/A LYS 566.A NZ ASP 537.A OD2 no hydrogen 2.862 N/A ARG 571.A N ASN 12.A OD1 no hydrogen 2.942 N/A ARG 571.A NE ASP 168.A OD1 no hydrogen 3.251 N/A ARG 571.A NE ASP 168.A OD2 no hydrogen 2.738 N/A ARG 571.A NH1 THR 604.A O no hydrogen 3.076 N/A ARG 571.A NH1 PRO 605.A O no hydrogen 3.456 N/A ARG 571.A NH2 ASP 168.A OD2 no hydrogen 2.917 N/A TYR 573.A N PHE 10.A O no hydrogen 2.847 N/A VAL 575.A N GLU 8.A O no hydrogen 3.363 N/A GLY 582.A N LEU 595.A O no hydrogen 2.797 N/A LEU 583.A N LEU 595.A O no hydrogen 3.009 N/A TYR 584.A N TYR 305.A O no hydrogen 2.884 N/A VAL 585.A N LEU 593.A O no hydrogen 2.919 N/A LEU 587.A N THR 591.A O no hydrogen 3.068 N/A GLU 588.A N THR 591.A O no hydrogen 3.531 N/A THR 591.A N GLU 588.A O no hydrogen 3.301 N/A THR 591.A OG1 ASP 589.A O no hydrogen 3.528 N/A PHE 592.A N LEU 610.A O no hydrogen 2.953 N/A LEU 593.A N VAL 585.A O no hydrogen 2.868 N/A LEU 594.A N LEU 608.A O no hydrogen 2.949 N/A LEU 595.A N LEU 583.A O no hydrogen 2.880 N/A THR 596.A OG1 ARG 642.A O no hydrogen 2.863 N/A HIS 598.A N ASP 581.A OD2 no hydrogen 3.205 N/A HIS 598.A NE2 ASP 600.A OD1 no hydrogen 3.115 N/A ARG 599.A NE HIS 598.A O no hydrogen 2.646 N/A ARG 599.A NH2 HIS 598.A O no hydrogen 3.361 N/A ARG 602.A N ARG 599.A O no hydrogen 2.919 N/A THR 604.A OG1 LEU 272.A O no hydrogen 2.845 N/A LEU 608.A N LEU 594.A O no hydrogen 2.958 N/A LYS 609.A N ARG 565.A O no hydrogen 2.943 N/A LEU 610.A N PHE 592.A O no hydrogen 2.873 N/A VAL 611.A N SER 563.A O no hydrogen 2.965 N/A HIS 612.A N LYS 590.A O no hydrogen 2.668 N/A HIS 612.A NE2 ASP 560.A OD1 no hydrogen 2.788 N/A GLU 613.A N LEU 561.A O no hydrogen 2.847 N/A THR 617.A N ASP 560.A OD1 no hydrogen 3.014 N/A THR 617.A OG1 ASP 560.A OD2 no hydrogen 2.705 N/A LEU 622.A N PRO 618.A O no hydrogen 3.253 N/A ALA 623.A N LEU 619.A O no hydrogen 2.915 N/A HIS 624.A N GLU 620.A O no hydrogen 2.866 N/A HIS 624.A NE2 SER 308.A OG no hydrogen 3.059 N/A GLN 625.A N ALA 621.A O no hydrogen 2.955 N/A GLN 625.A NE2 ALA 462.A O no hydrogen 2.944 N/A ILE 626.A N LEU 622.A O no hydrogen 2.888 N/A PHE 627.A N ALA 623.A O no hydrogen 2.924 N/A HIS 628.A N HIS 624.A O no hydrogen 2.947 N/A HIS 628.A ND1 TYR 460.A OH no hydrogen 2.463 N/A HIS 628.A NE2 SER 308.A O no hydrogen 3.056 N/A LEU 629.A N GLN 625.A O no hydrogen 2.845 N/A THR 630.A N ILE 626.A O no hydrogen 3.052 N/A THR 630.A N PHE 627.A O no hydrogen 3.171 N/A THR 630.A OG1 PRO 641.A O no hydrogen 2.833 N/A THR 630.A OG1 ARG 642.A O no hydrogen 3.025 N/A THR 630.A OG1 LEU 643.A O no hydrogen 3.178 N/A ARG 631.A N HIS 628.A O no hydrogen 2.946 N/A ARG 631.A NH2 THR 596.A O no hydrogen 2.501 N/A LEU 632.A N LEU 629.A O no hydrogen 3.329 N/A SER 636.A OG ALA 639.A O no hydrogen 2.569 N/A GLY 637.A N ASN 440.A OD1 no hydrogen 2.714 N/A ARG 642.A NH1 LYS 566.A O no hydrogen 3.171 N/A ARG 642.A NH1 ARG 606.A O no hydrogen 2.684 N/A ARG 642.A NH2 LYS 566.A O no hydrogen 3.220 N/A ALA 645.A N LEU 629.A O no hydrogen 2.837 N/A HIS 648.A N PRO 644.A O no hydrogen 3.065 N/A LEU 649.A N ALA 645.A O no hydrogen 2.843 N/A ALA 650.A N PRO 646.A O no hydrogen 2.937 N/A ASP 651.A N LEU 647.A O no hydrogen 2.845 N/A ARG 652.A N HIS 648.A O no hydrogen 3.019 N/A ARG 652.A NH2 ASP 651.A OD2 no hydrogen 3.019 N/A LEU 653.A N LEU 649.A O no hydrogen 2.866 N/A VAL 654.A N ALA 650.A O no hydrogen 2.978 N/A LYS 655.A N ASP 651.A O no hydrogen 3.018 N/A LYS 655.A NZ ASP 651.A OD1 no hydrogen 2.987 N/A GLU 656.A N ARG 652.A O no hydrogen 2.932 N/A VAL 657.A N LEU 653.A O no hydrogen 2.944 N/A GLY 658.A N VAL 654.A O no hydrogen 2.905 N/A ARG 659.A N LYS 655.A O no hydrogen 2.962 N/A LEU 660.A N GLU 656.A O no hydrogen 2.836 N/A GLY 661.A N VAL 657.A O no hydrogen 2.740 N/A HIS 664.A NE2 LEU 660.A O no hydrogen 2.934 N/A LEU 665.A N ILE 662.A O no hydrogen 3.253 N/A VAL 668.A N LEU 665.A O no hydrogen 3.183 N/A LYS 672.A N ASP 669.A O no hydrogen 3.143 N/A LYS 672.A NZ GLN 395.A O no hydrogen 3.270 N/A LEU 673.A N ALA 447.A O no hydrogen 3.239 N/A PHE 674.A N LYS 672.A O no hydrogen 2.820 N/A VAL 676.A N LEU 673.A O no hydrogen 3.231 N/A