Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 337.A OE2 no hydrogen 2.834 N/A THR 9.A N ARG 12.A O no hydrogen 3.048 N/A THR 9.A OG1 THR 11.A OG1 no hydrogen 3.262 N/A THR 9.A OG1 VAL 265.A O no hydrogen 3.064 N/A THR 11.A N THR 9.A OG1 no hydrogen 3.214 N/A THR 11.A OG1 THR 9.A OG1 no hydrogen 3.262 N/A THR 11.A OG1 ASP 264.A OD1 no hydrogen 2.797 N/A ARG 12.A N THR 9.A O no hydrogen 3.093 N/A ARG 12.A NH1 ILE 183.A O no hydrogen 3.495 N/A ARG 12.A NH1 ASP 264.A OD1 no hydrogen 3.360 N/A ARG 12.A NH1 ASP 264.A OD2 no hydrogen 2.865 N/A ASN 13.A N ILE 177.A O no hydrogen 2.954 N/A ASN 13.A ND2 TYR 15.A OH no hydrogen 3.111 N/A THR 14.A OG1 LEU 7.A O no hydrogen 2.714 N/A TYR 15.A N LEU 175.A O no hydrogen 2.723 N/A LEU 17.A N LEU 173.A O no hydrogen 2.899 N/A GLY 18.A N ASP 16.A OD1 no hydrogen 2.772 N/A GLY 19.A N ILE 42.A O no hydrogen 2.986 N/A TRP 21.A N MET 40.A O no hydrogen 2.747 N/A TRP 21.A NE1 LEU 17.A O no hydrogen 3.101 N/A ASN 22.A N GLU 65.A O no hydrogen 2.991 N/A PHE 23.A N GLU 38.A O no hydrogen 3.007 N/A LYS 24.A N TRP 63.A O no hydrogen 2.969 N/A LYS 24.A NZ LEU 25.A O no hydrogen 3.211 N/A LYS 24.A NZ GLU 27.A O no hydrogen 2.736 N/A GLY 26.A N ASP 61.A O no hydrogen 2.832 N/A HIS 28.A NE2 GLU 65.A OE2 no hydrogen 2.793 N/A ASN 29.A ND2 ASN 31.A OD1 no hydrogen 3.405 N/A GLU 32.A N ASN 29.A O no hydrogen 2.714 N/A LEU 34.A N GLU 65.A OE1 no hydrogen 2.738 N/A SER 36.A OG ASN 22.A OD1 no hydrogen 3.336 N/A MET 40.A N TRP 21.A O no hydrogen 2.736 N/A ILE 42.A N GLY 19.A O no hydrogen 2.939 N/A THR 44.A N VAL 169.A O no hydrogen 2.805 N/A THR 44.A OG1 SER 45.A O no hydrogen 3.068 N/A SER 45.A N ASN 303.A O no hydrogen 3.080 N/A SER 45.A OG ASN 303.A O no hydrogen 3.403 N/A PHE 46.A N ALA 167.A O no hydrogen 2.997 N/A ASN 47.A ND2 ALA 167.A O no hydrogen 3.423 N/A LEU 49.A N PHE 46.A O no hydrogen 3.162 N/A MET 50.A N ASN 47.A O no hydrogen 3.185 N/A LYS 55.A NZ GLU 38.A OE1.C no hydrogen 3.441 N/A ARG 56.A N SER 52.A O no hydrogen 3.025 N/A ARG 56.A NE ASP 48.A OD1 no hydrogen 2.955 N/A ARG 56.A NH2 ASP 48.A OD1 no hydrogen 2.995 N/A ARG 56.A NH2 GLU 544.A OE2 no hydrogen 3.326 N/A ASP 57.A N LYS 53.A O no hydrogen 2.797 N/A TYR 58.A N LYS 55.A O no hydrogen 3.105 N/A TYR 58.A OH ASP 61.A O no hydrogen 2.487 N/A GLY 60.A N ASN 131.A OD1 no hydrogen 3.049 N/A PHE 62.A N ALA 129.A O no hydrogen 3.001 N/A TRP 63.A N LYS 24.A O no hydrogen 2.697 N/A TYR 64.A N ILE 127.A O no hydrogen 2.888 N/A GLU 65.A N ASN 22.A O no hydrogen 2.854 N/A LYS 66.A N VAL 125.A O no hydrogen 3.079 N/A LYS 66.A NZ ILE 20.A O no hydrogen 2.722 N/A ILE 68.A N ILE 123.A O no hydrogen 2.792 N/A VAL 70.A N GLU 121.A O no hydrogen 2.947 N/A SER 74.A N GLU 77.A OE1 no hydrogen 2.671 N/A GLU 77.A N SER 74.A O no hydrogen 2.950 N/A GLU 78.A N ARG 178.A O no hydrogen 2.895 N/A MET 79.A N TYR 118.A OH no hydrogen 3.011 N/A VAL 80.A N MET 176.A O no hydrogen 2.829 N/A LEU 81.A N VAL 111.A O no hydrogen 2.845 N/A ARG 82.A N LYS 174.A O no hydrogen 2.788 N/A ARG 82.A NH1 GLU 336.A OE1 no hydrogen 2.853 N/A ARG 82.A NH2 ALA 2.A O no hydrogen 3.552 N/A ARG 82.A NH2 GLU 336.A OE1 no hydrogen 3.429 N/A ARG 82.A NH2 GLU 336.A OE2 no hydrogen 2.963 N/A PHE 83.A N PHE 109.A O no hydrogen 2.893 N/A GLY 84.A N PRO 172.A O no hydrogen 3.132 N/A THR 87.A N GLY 168.A O no hydrogen 3.081 N/A THR 87.A OG1 GLY 105.A O no hydrogen 2.657 N/A HIS 88.A N ASN 130.A O no hydrogen 2.665 N/A GLN 89.A N ASN 130.A O no hydrogen 2.915 N/A ALA 90.A N HIS 102.A O no hydrogen 2.907 N/A LYS 91.A N CYS 128.A O no hydrogen 3.042 N/A ILE 92.A N GLY 100.A O no hydrogen 2.942 N/A TYR 93.A N SER 126.A O no hydrogen 2.766 N/A VAL 94.A N VAL 97.A O no hydrogen 2.964 N/A ASP 95.A N LYS 124.A O no hydrogen 2.909 N/A VAL 97.A N VAL 94.A O no hydrogen 2.890 N/A VAL 99.A N ILE 92.A O no hydrogen 2.908 N/A HIS 102.A N ALA 90.A O no hydrogen 2.895 N/A LYS 103.A NZ THR 136.A O no hydrogen 3.352 N/A LYS 103.A NZ THR 136.A OG1 no hydrogen 2.884 N/A GLY 104.A N HIS 88.A O no hydrogen 3.124 N/A THR 107.A OG1 GLU 381.A OE2 no hydrogen 3.145 N/A PHE 109.A N PHE 83.A O no hydrogen 3.125 N/A VAL 111.A N LEU 81.A O no hydrogen 2.766 N/A VAL 113.A N MET 79.A O no hydrogen 2.831 N/A LYS 117.A N PRO 114.A O no hydrogen 2.933 N/A TYR 118.A N GLU 115.A O no hydrogen 2.941 N/A TYR 118.A OH VAL 113.A O no hydrogen 2.757 N/A ASN 120.A N LYS 117.A O no hydrogen 3.337 N/A ILE 123.A N ILE 68.A O no hydrogen 2.881 N/A LYS 124.A N ASP 95.A OD1 no hydrogen 2.910 N/A LYS 124.A NZ PRO 30.A O no hydrogen 2.852 N/A LYS 124.A NZ GLU 32.A O no hydrogen 2.695 N/A VAL 125.A N LYS 66.A O no hydrogen 2.918 N/A SER 126.A N TYR 93.A O no hydrogen 2.854 N/A SER 126.A OG GLU 65.A OE2 no hydrogen 2.559 N/A ILE 127.A N TYR 64.A O no hydrogen 2.789 N/A CYS 128.A N LYS 91.A O no hydrogen 2.895 N/A ALA 129.A N PHE 62.A O no hydrogen 2.772 N/A ASN 130.A N GLN 89.A O no hydrogen 2.866 N/A ASN 130.A ND2 ASP 61.A OD1 no hydrogen 3.018 N/A ASN 131.A ND2 TYR 58.A O no hydrogen 3.089 N/A VAL 132.A N ASN 130.A OD1 no hydrogen 2.959 N/A ASP 134.A N THR 137.A OG1 no hydrogen 2.718 N/A TYR 135.A OH ASN 142.A OD1 no hydrogen 2.668 N/A THR 136.A OG1 ASP 134.A OD2 no hydrogen 3.432 N/A THR 137.A OG1 PRO 139.A O no hydrogen 2.948 N/A VAL 140.A N VAL 356.A O no hydrogen 3.169 N/A GLY 141.A N ASP 134.A O no hydrogen 2.694 N/A ASN 142.A N ARG 158.A O no hydrogen 2.974 N/A ASN 142.A ND2 ARG 158.A O no hydrogen 2.757 N/A ASN 142.A ND2 ASN 160.A OD1 no hydrogen 2.909 N/A TYR 143.A OH GLU 145.A OE2 no hydrogen 2.555 N/A SER 144.A N LYS 156.A O no hydrogen 3.144 N/A ILE 146.A N LYS 154.A O no hydrogen 2.982 N/A GLN 148.A N SER 152.A O no hydrogen 2.837 N/A GLN 148.A NE2 ILE 146.A O no hydrogen 3.193 N/A SER 152.A OG ASP 150.A OD2 no hydrogen 3.445 N/A LYS 154.A N ILE 146.A O no hydrogen 2.802 N/A LYS 155.A NZ TYR 143.A OH no hydrogen 3.332 N/A LYS 156.A N SER 144.A O no hydrogen 2.973 N/A ARG 158.A N ASN 142.A O no hydrogen 2.858 N/A ARG 158.A NH1 GLU 159.A O no hydrogen 3.442 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.502 N/A ASN 160.A N VAL 140.A O no hydrogen 3.204 N/A ASN 160.A ND2 GLY 357.A O no hydrogen 2.580 N/A ASN 160.A ND2 PHE 359.A O no hydrogen 2.917 N/A PHE 164.A N GLU 544.A O no hydrogen 3.042 N/A ASN 165.A ND2 ASN 131.A O no hydrogen 3.375 N/A TYR 166.A N PHE 164.A O no hydrogen 2.815 N/A TYR 166.A OH ASP 48.A OD1 no hydrogen 3.388 N/A TYR 166.A OH ASP 48.A OD2 no hydrogen 2.672 N/A GLY 168.A N THR 87.A O no hydrogen 3.305 N/A ARG 171.A NH1 GLU 298.A OE1 no hydrogen 2.867 N/A ARG 171.A NH1 PRO 333.A O no hydrogen 2.711 N/A ARG 171.A NH2 PHE 106.A O no hydrogen 2.891 N/A LYS 174.A N ARG 82.A O no hydrogen 2.944 N/A LYS 174.A NZ ASP 16.A OD2 no hydrogen 2.822 N/A LEU 175.A N TYR 15.A O no hydrogen 2.661 N/A MET 176.A N VAL 80.A O no hydrogen 2.754 N/A ILE 177.A N ASN 13.A O no hydrogen 2.774 N/A ARG 178.A N GLU 78.A O no hydrogen 2.993 N/A ARG 178.A NE GLU 78.A OE1 no hydrogen 2.753 N/A ARG 178.A NH1 GLU 110.A OE1 no hydrogen 3.012 N/A ARG 178.A NH2 GLU 78.A OE1 no hydrogen 3.272 N/A ARG 178.A NH2 GLU 110.A OE2 no hydrogen 2.764 N/A LYS 180.A N ASP 76.A O no hydrogen 2.871 N/A LYS 180.A NZ GLU 75.A O no hydrogen 3.303 N/A ASN 181.A ND2 ASN 208.A OD1 no hydrogen 3.027 N/A ILE 183.A N ASP 264.A OD2 no hydrogen 2.634 N/A PHE 184.A N GLU 206.A O no hydrogen 2.896 N/A THR 187.A N LEU 204.A O no hydrogen 3.064 N/A ILE 188.A N ASN 388.A OD1 no hydrogen 2.882 N/A THR 189.A N HIS 202.A O no hydrogen 3.094 N/A ARG 191.A N ASP 200.A O no hydrogen 2.920 N/A SER 193.A N SER 198.A O no hydrogen 2.841 N/A SER 193.A OG SER 198.A O no hydrogen 3.192 N/A LEU 196.A N SER 193.A O no hydrogen 2.774 N/A GLN 197.A N SER 193.A OG no hydrogen 2.965 N/A SER 198.A N SER 193.A OG no hydrogen 2.773 N/A ALA 199.A N LEU 236.A O no hydrogen 3.090 N/A ASP 200.A N ARG 191.A O no hydrogen 2.940 N/A LEU 201.A N LEU 234.A O no hydrogen 2.717 N/A HIS 202.A N THR 189.A O no hydrogen 2.848 N/A PHE 203.A N SER 232.A O no hydrogen 2.797 N/A LEU 204.A N THR 187.A O no hydrogen 3.004 N/A GLU 206.A N ASP 185.A O no hydrogen 2.840 N/A THR 207.A OG1 GLN 209.A O no hydrogen 3.162 N/A ASN 208.A N ASN 208.A OD1 no hydrogen 2.394 N/A ASN 208.A ND2 LYS 180.A O no hydrogen 2.888 N/A ASP 212.A N PHE 257.A O no hydrogen 2.680 N/A GLU 213.A N PHE 257.A O no hydrogen 3.151 N/A ARG 215.A N GLU 255.A O no hydrogen 2.821 N/A ILE 216.A N THR 229.A O no hydrogen 2.836 N/A SER 217.A N ARG 253.A O no hydrogen 2.827 N/A VAL 218.A N GLY 227.A O no hydrogen 2.978 N/A PHE 219.A N THR 251.A O no hydrogen 2.985 N/A ASP 220.A N LYS 224.A O no hydrogen 3.143 N/A GLU 221.A N TYR 248.A OH no hydrogen 3.095 N/A ASP 222.A N ASP 220.A OD1 no hydrogen 2.893 N/A ASN 223.A N ASP 220.A O no hydrogen 2.822 N/A LYS 224.A N ASP 220.A OD1 no hydrogen 2.987 N/A LYS 224.A NZ LEU 225.A O no hydrogen 3.362 N/A VAL 226.A N VAL 218.A O no hydrogen 3.033 N/A THR 229.A N ILE 216.A O no hydrogen 3.004 N/A THR 229.A OG1 ASP 231.A OD1 no hydrogen 2.526 N/A THR 229.A OG1 ARG 233.A O no hydrogen 2.865 N/A ASP 231.A N THR 229.A OG1 no hydrogen 2.904 N/A SER 232.A OG ASP 231.A O no hydrogen 2.496 N/A ARG 233.A NH2 ASP 200.A OD2 no hydrogen 2.543 N/A LEU 234.A N LEU 201.A O no hydrogen 3.061 N/A LEU 236.A N ALA 199.A O no hydrogen 2.846 N/A ASP 238.A N SER 198.A OG no hydrogen 3.385 N/A VAL 239.A N GLN 197.A O no hydrogen 2.991 N/A HIS 240.A N TYR 250.A OH no hydrogen 3.014 N/A TRP 242.A N LEU 272.A O no hydrogen 2.756 N/A TRP 242.A NE1 ASP 343.A O no hydrogen 3.030 N/A GLU 243.A N ASN 246.A O no hydrogen 3.221 N/A VAL 244.A N TYR 583.A OH no hydrogen 3.177 N/A LEU 245.A N GLY 346.A O no hydrogen 2.840 N/A ASN 246.A N GLU 243.A O no hydrogen 2.757 N/A LEU 249.A N GLU 221.A OE1 no hydrogen 2.993 N/A TYR 250.A N PHE 270.A O no hydrogen 2.910 N/A THR 251.A N PHE 219.A O no hydrogen 2.990 N/A ALA 252.A N GLU 268.A O no hydrogen 2.630 N/A ARG 253.A N SER 217.A O no hydrogen 2.778 N/A ARG 253.A NH1 GLU 267.A OE2 no hydrogen 2.935 N/A VAL 254.A N TYR 266.A O no hydrogen 2.658 N/A GLU 255.A N ARG 215.A O no hydrogen 2.946 N/A ILE 256.A N ASP 264.A O no hydrogen 2.981 N/A PHE 257.A N GLU 213.A O no hydrogen 2.889 N/A VAL 258.A N GLN 261.A O no hydrogen 3.150 N/A ASP 259.A N ASP 212.A OD2 no hydrogen 2.547 N/A GLN 261.A NE2 ASP 259.A O no hydrogen 2.753 N/A GLN 263.A N ILE 256.A O no hydrogen 2.857 N/A VAL 265.A N THR 11.A OG1 no hydrogen 3.079 N/A TYR 266.A N VAL 254.A O no hydrogen 2.881 N/A TYR 266.A OH TYR 5.A O no hydrogen 2.582 N/A GLU 268.A N ALA 252.A O no hydrogen 2.994 N/A PHE 270.A N TYR 250.A O no hydrogen 2.932 N/A ARG 273.A NE PRO 390.A O no hydrogen 2.623 N/A ARG 273.A NH1 ARG 273.A O no hydrogen 2.931 N/A ARG 273.A NH1 GLN 425.A OE1 no hydrogen 3.120 N/A ARG 273.A NH2 PRO 390.A O no hydrogen 3.062 N/A ARG 273.A NH2 GLN 425.A OE1 no hydrogen 3.244 N/A GLU 274.A N ASN 285.A OD1 no hydrogen 2.938 N/A GLU 276.A N LEU 283.A O no hydrogen 3.016 N/A THR 278.A N GLN 281.A O no hydrogen 3.236 N/A GLY 280.A N ASP 486.A O no hydrogen 2.672 N/A GLN 281.A N THR 278.A O no hydrogen 2.999 N/A LEU 283.A N GLU 276.A O no hydrogen 2.816 N/A LEU 284.A N LYS 287.A O no hydrogen 2.746 N/A ASN 285.A N GLU 274.A O no hydrogen 2.752 N/A ASN 285.A ND2 TRP 242.A O no hydrogen 3.179 N/A ARG 286.A NE GLU 274.A OE2 no hydrogen 2.651 N/A ARG 286.A NH1 SER 193.A O no hydrogen 3.324 N/A ARG 286.A NH2 SER 193.A O no hydrogen 3.272 N/A ARG 286.A NH2 GLU 274.A OE1 no hydrogen 3.447 N/A LYS 287.A N LEU 284.A O no hydrogen 2.922 N/A LYS 287.A NZ ASN 285.A O no hydrogen 2.949 N/A ILE 289.A N PHE 282.A O no hydrogen 2.789 N/A TYR 290.A N HIS 582.A O no hydrogen 2.836 N/A TYR 290.A OH GLU 535.A OE2 no hydrogen 2.553 N/A PHE 291.A N VAL 533.A O no hydrogen 2.919 N/A LYS 292.A N ASN 325.A OD1 no hydrogen 2.908 N/A LYS 292.A NZ GLY 323.A O no hydrogen 3.375 N/A LYS 292.A NZ ILE 580.A O no hydrogen 3.073 N/A GLY 293.A N GLU 535.A O no hydrogen 3.236 N/A PHE 294.A N SER 326.A O no hydrogen 3.332 N/A GLY 295.A N VAL 537.A O no hydrogen 2.760 N/A LYS 296.A N SER 330.A OG no hydrogen 3.188 N/A LYS 296.A NZ ASP 315.A OD2 no hydrogen 2.761 N/A HIS 297.A ND1 TYR 332.A OH no hydrogen 2.769 N/A GLU 298.A N TYR 332.A OH no hydrogen 2.878 N/A ASN 303.A N PHE 301.A O no hydrogen 2.714 N/A ASN 303.A ND2 PHE 301.A O no hydrogen 3.354 N/A GLY 304.A N THR 300.A O no hydrogen 3.086 N/A ARG 305.A N SER 45.A OG no hydrogen 2.713 N/A ARG 305.A NE GLU 298.A O no hydrogen 3.095 N/A ARG 305.A NE TYR 332.A OH no hydrogen 3.002 N/A ARG 305.A NH1 PHE 164.A O no hydrogen 2.834 N/A GLY 306.A N ASN 303.A O no hydrogen 2.868 N/A LEU 307.A N HIS 170.A O no hydrogen 2.783 N/A ALA 310.A N ASN 308.A OD1 no hydrogen 2.991 N/A ALA 311.A N ASN 308.A O no hydrogen 3.003 N/A ALA 311.A N ASN 308.A OD1 no hydrogen 3.209 N/A ASN 312.A N ASN 308.A O no hydrogen 3.238 N/A LEU 313.A N GLU 309.A O no hydrogen 3.224 N/A MET 314.A N ALA 310.A O no hydrogen 2.950 N/A ASP 315.A N ALA 311.A O no hydrogen 2.991 N/A LEU 316.A N ASN 312.A O no hydrogen 2.964 N/A ASN 317.A N LEU 313.A O no hydrogen 2.808 N/A LEU 318.A N MET 314.A O no hydrogen 3.060 N/A LEU 319.A N ASP 315.A O no hydrogen 2.782 N/A LYS 320.A N LEU 316.A O no hydrogen 3.023 N/A ASP 321.A N ASN 317.A O no hydrogen 2.943 N/A MET 322.A N LEU 318.A O no hydrogen 2.935 N/A MET 322.A N LEU 319.A O no hydrogen 3.231 N/A GLY 323.A N LYS 320.A O no hydrogen 3.135 N/A ALA 324.A N LEU 319.A O no hydrogen 3.038 N/A ASN 325.A N LYS 292.A O no hydrogen 2.537 N/A ASN 325.A ND2 TYR 290.A O no hydrogen 3.144 N/A ASN 325.A ND2 HIS 582.A ND1 no hydrogen 2.855 N/A SER 326.A N LYS 292.A O no hydrogen 3.060 N/A SER 326.A OG ASN 325.A OD1 no hydrogen 3.414 N/A PHE 327.A N LEU 348.A O no hydrogen 3.061 N/A ARG 328.A N PHE 294.A O no hydrogen 3.168 N/A ARG 328.A NH1 GLU 352.A OE1 no hydrogen 2.621 N/A ARG 328.A NH1 ASN 399.A OD1 no hydrogen 2.947 N/A ARG 328.A NH2 THR 492.A O no hydrogen 3.264 N/A ARG 328.A NH2 GLU 493.A OE2 no hydrogen 3.148 N/A THR 329.A N ILE 350.A O no hydrogen 2.885 N/A THR 329.A OG1 TYR 332.A O no hydrogen 3.540 N/A THR 329.A OG1 ILE 350.A O no hydrogen 3.464 N/A THR 329.A OG1 ASP 351.A OD1 no hydrogen 3.498 N/A SER 330.A OG LYS 296.A O no hydrogen 2.893 N/A SER 330.A OG ARG 328.A O no hydrogen 3.527 N/A TYR 332.A N THR 329.A O no hydrogen 3.119 N/A TYR 332.A OH HIS 297.A ND1 no hydrogen 2.769 N/A TYR 334.A OH SER 330.A O no hydrogen 2.845 N/A SER 335.A N GLU 298.A OE2 no hydrogen 2.907 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.944 N/A MET 338.A N SER 335.A OG no hydrogen 3.251 N/A MET 339.A N SER 335.A O no hydrogen 3.328 N/A ARG 340.A N GLU 336.A O no hydrogen 2.922 N/A LEU 341.A N GLU 337.A O no hydrogen 3.152 N/A LEU 341.A N MET 338.A O no hydrogen 3.099 N/A ALA 342.A N MET 338.A O no hydrogen 2.901 N/A ASP 343.A N MET 339.A O no hydrogen 2.998 N/A ARG 344.A N ARG 340.A O no hydrogen 3.211 N/A ARG 344.A NE.B ARG 344.A O no hydrogen 2.958 N/A ARG 344.A NH1.B GLU 221.A OE1 no hydrogen 2.781 N/A ARG 344.A NH2.B GLU 221.A OE1 no hydrogen 2.630 N/A ARG 344.A NH2.B GLU 221.A OE2 no hydrogen 3.526 N/A ARG 344.A NH2.B ARG 344.A O no hydrogen 3.492 N/A MET 345.A N LEU 341.A O no hydrogen 2.921 N/A GLY 346.A N ALA 342.A O no hydrogen 2.852 N/A VAL 347.A N ALA 342.A O no hydrogen 3.015 N/A LEU 348.A N ASN 325.A O no hydrogen 2.794 N/A VAL 349.A N SER 391.A O no hydrogen 2.813 N/A ILE 350.A N PHE 327.A O no hydrogen 2.941 N/A ASP 351.A N MET 394.A O no hydrogen 3.017 N/A GLU 352.A N THR 329.A OG1 no hydrogen 2.894 N/A ALA 355.A N VAL 353.A O no hydrogen 2.623 N/A VAL 356.A N PRO 354.A O no hydrogen 2.881 N/A GLN 370.A N LEU 368.A O no hydrogen 3.128 N/A THR 371.A OG1 TYR 411.A OH no hydrogen 2.822 N/A HIS 375.A N THR 371.A O no hydrogen 3.079 N/A HIS 375.A N LYS 372.A O no hydrogen 3.140 N/A GLU 376.A N LYS 372.A O no hydrogen 2.954 N/A GLN 377.A N ALA 373.A O no hydrogen 2.946 N/A GLN 377.A NE2 LYS 103.A O no hydrogen 2.944 N/A GLN 377.A NE2 GLU 381.A OE1 no hydrogen 3.237 N/A GLN 377.A NE2 GLU 381.A OE2 no hydrogen 2.911 N/A ALA 378.A N ALA 374.A O no hydrogen 2.890 N/A ILE 379.A N HIS 375.A O no hydrogen 3.031 N/A GLN 380.A N GLU 376.A O no hydrogen 3.104 N/A GLN 380.A NE2 GLU 376.A O no hydrogen 3.522 N/A GLU 381.A N GLN 377.A O no hydrogen 2.948 N/A LEU 382.A N ALA 378.A O no hydrogen 2.929 N/A VAL 383.A N ILE 379.A O no hydrogen 3.134 N/A LYS 384.A N GLN 380.A O no hydrogen 2.975 N/A ARG 385.A N GLU 381.A O no hydrogen 2.888 N/A ARG 385.A NE ASP 386.A OD1 no hydrogen 2.601 N/A ARG 385.A NH1 TYR 334.A O no hydrogen 3.019 N/A ARG 385.A NH2 TYR 334.A O no hydrogen 2.607 N/A ARG 385.A NH2 ASP 386.A OD1 no hydrogen 3.485 N/A ARG 385.A NH2 ASP 386.A OD2 no hydrogen 3.094 N/A ASP 386.A N LEU 382.A O no hydrogen 2.802 N/A LYS 387.A N VAL 383.A O no hydrogen 2.927 N/A LYS 387.A NZ ASP 185.A OD1 no hydrogen 2.935 N/A LYS 387.A NZ ASP 185.A OD2 no hydrogen 3.521 N/A LYS 387.A NZ LYS 384.A O no hydrogen 2.808 N/A ASN 388.A ND2 ILE 186.A O no hydrogen 2.803 N/A ASN 388.A ND2 GLU 268.A OE2 no hydrogen 3.032 N/A HIS 389.A N ASP 386.A O no hydrogen 3.084 N/A HIS 389.A ND1 ASP 343.A OD2 no hydrogen 2.526 N/A SER 391.A N ASP 343.A OD1 no hydrogen 2.999 N/A SER 391.A OG ASP 343.A OD1 no hydrogen 2.590 N/A VAL 392.A N HIS 389.A O no hydrogen 3.159 N/A VAL 393.A N VAL 349.A O no hydrogen 3.150 N/A TRP 395.A N PRO 428.A O no hydrogen 2.952 N/A TRP 395.A NE1 ASP 423.A OD2 no hydrogen 2.882 N/A VAL 396.A N ASP 351.A O no hydrogen 3.114 N/A VAL 397.A N THR 430.A O no hydrogen 3.099 N/A ASN 399.A N ALA 355.A O no hydrogen 2.968 N/A GLU 400.A N VAL 432.A O no hydrogen 2.783 N/A ALA 402.A N LEU 358.A O no hydrogen 2.805 N/A SER 403.A OG ASP 442.A OD2 no hydrogen 2.864 N/A GLU 405.A N ALA 402.A O no hydrogen 3.496 N/A ALA 408.A N GLU 405.A O no hydrogen 3.204 N/A TYR 411.A N GLY 407.A O no hydrogen 3.265 N/A TYR 411.A N ALA 408.A O no hydrogen 3.060 N/A TYR 411.A OH THR 371.A OG1 no hydrogen 2.822 N/A PHE 412.A N ALA 408.A O no hydrogen 3.104 N/A PHE 412.A N HIS 409.A O no hydrogen 3.031 N/A GLU 413.A N HIS 409.A O no hydrogen 2.867 N/A VAL 416.A N PHE 412.A O no hydrogen 2.804 N/A LYS 417.A N GLU 413.A O no hydrogen 3.271 N/A LEU 418.A N PRO 414.A O no hydrogen 3.033 N/A TYR 419.A N LEU 415.A O no hydrogen 3.335 N/A TYR 419.A OH VAL 396.A O no hydrogen 2.851 N/A LYS 420.A N VAL 416.A O no hydrogen 3.358 N/A LYS 420.A NZ ARG 427.A O no hydrogen 2.819 N/A LYS 420.A NZ ASP 449.A OD2 no hydrogen 2.909 N/A ASP 421.A N LYS 417.A O no hydrogen 2.706 N/A LEU 422.A N LEU 418.A O no hydrogen 2.971 N/A LEU 422.A N TYR 419.A O no hydrogen 3.171 N/A ASP 423.A N TYR 419.A O no hydrogen 2.861 N/A GLN 425.A N ASP 423.A OD1 no hydrogen 2.944 N/A LYS 426.A N ASP 423.A O no hydrogen 2.835 N/A LYS 426.A NZ LYS 420.A O no hydrogen 2.848 N/A LYS 426.A NZ ASP 423.A O no hydrogen 2.988 N/A ARG 427.A N ASP 423.A OD2 no hydrogen 2.900 N/A ARG 427.A NE ASP 423.A OD2 no hydrogen 2.868 N/A ARG 427.A NH1 LYS 387.A O no hydrogen 3.349 N/A ARG 427.A NH1 VAL 392.A O no hydrogen 2.995 N/A ARG 427.A NH2 LYS 387.A O no hydrogen 2.637 N/A ARG 427.A NH2 ASP 423.A OD1 no hydrogen 2.836 N/A VAL 429.A N ASP 449.A OD2 no hydrogen 2.973 N/A THR 430.A N TRP 395.A O no hydrogen 2.706 N/A THR 430.A OG1 LEU 431.A O no hydrogen 3.436 N/A THR 430.A OG1 VAL 450.A O no hydrogen 2.746 N/A VAL 432.A N ALA 398.A O no hydrogen 3.153 N/A ASN 433.A N CYS 452.A O no hydrogen 3.009 N/A ALA 437.A N ILE 434.A O no hydrogen 2.957 N/A THR 438.A OG1 ASP 440.A OD1 no hydrogen 3.179 N/A ARG 441.A N ASP 440.A OD1 no hydrogen 2.716 N/A ASP 442.A N THR 438.A O no hydrogen 2.873 N/A GLN 443.A N SER 403.A O no hydrogen 2.983 N/A VAL 444.A N ASP 442.A OD1 no hydrogen 3.021 N/A MET 445.A N ASP 442.A OD1 no hydrogen 2.992 N/A LEU 447.A N VAL 444.A O no hydrogen 2.972 N/A VAL 448.A N MET 445.A O no hydrogen 3.389 N/A ASP 449.A N VAL 429.A O no hydrogen 3.107 N/A VAL 451.A N PRO 488.A O no hydrogen 2.786 N/A CYS 452.A SG THR 430.A OG1 no hydrogen 3.198 N/A LEU 453.A N ILE 490.A O no hydrogen 2.959 N/A ASN 454.A N ASN 433.A O no hydrogen 3.133 N/A ARG 455.A N GLU 493.A O no hydrogen 2.974 N/A ARG 455.A NE GLU 476.A OE1 no hydrogen 3.069 N/A ARG 455.A NE GLU 476.A OE2 no hydrogen 3.058 N/A ARG 455.A NH1 GLU 476.A OE1 no hydrogen 2.698 N/A ARG 455.A NH2 ASN 433.A O no hydrogen 2.998 N/A ARG 455.A NH2 ASN 454.A O no hydrogen 2.779 N/A TYR 456.A OH GLU 493.A OE1 no hydrogen 2.594 N/A TYR 457.A OH GLU 476.A OE2 no hydrogen 2.676 N/A GLY 458.A N VAL 461.A O no hydrogen 2.660 N/A TRP 459.A N TYR 456.A O no hydrogen 3.011 N/A TYR 460.A N TYR 456.A O no hydrogen 2.911 N/A VAL 461.A N TYR 456.A O no hydrogen 3.508 N/A GLY 464.A N GLY 458.A O no hydrogen 2.886 N/A ASP 465.A N ASP 462.A O no hydrogen 2.750 N/A ASN 468.A N ASP 465.A OD1 no hydrogen 3.208 N/A ASN 468.A ND2 ASP 465.A OD1 no hydrogen 3.551 N/A ASN 468.A ND2 ASP 465.A OD2 no hydrogen 2.913 N/A ALA 469.A N ASP 465.A O no hydrogen 3.020 N/A GLU 470.A N LEU 466.A O no hydrogen 2.912 N/A GLY 472.A N ASN 468.A O no hydrogen 3.201 N/A ILE 473.A N ALA 469.A O no hydrogen 2.853 N/A ARG 474.A N GLU 470.A O no hydrogen 3.024 N/A ARG 474.A NH2 GLU 470.A OE2 no hydrogen 3.354 N/A LYS 475.A N VAL 471.A O no hydrogen 3.016 N/A GLU 476.A N GLY 472.A O no hydrogen 3.089 N/A LEU 477.A N ILE 473.A O no hydrogen 3.085 N/A LEU 478.A N ARG 474.A O no hydrogen 3.080 N/A GLU 479.A N LYS 475.A O no hydrogen 3.138 N/A TRP 480.A N GLU 476.A O no hydrogen 2.897 N/A TRP 480.A NE1 GLU 476.A OE1 no hydrogen 2.897 N/A GLN 481.A N LEU 477.A O no hydrogen 2.917 N/A ASP 482.A N LEU 478.A O no hydrogen 2.935 N/A LYS 483.A N GLU 479.A O no hydrogen 2.858 N/A LYS 483.A NZ PRO 439.A O no hydrogen 2.535 N/A PHE 484.A N TRP 480.A O no hydrogen 2.986 N/A LYS 487.A N PHE 484.A O no hydrogen 3.144 N/A LYS 487.A NZ ASP 486.A OD2 no hydrogen 3.427 N/A ILE 489.A N ASN 531.A O no hydrogen 2.871 N/A ILE 490.A N VAL 451.A O no hydrogen 2.716 N/A ILE 491.A N GLY 534.A O no hydrogen 3.166 N/A THR 492.A N LEU 453.A O no hydrogen 2.935 N/A THR 492.A OG1 LEU 453.A O no hydrogen 3.188 N/A TYR 494.A OH HIS 523.A NE2 no hydrogen 2.635 N/A THR 498.A N HIS 556.A O no hydrogen 2.806 N/A THR 498.A OG1 ALA 496.A O no hydrogen 2.920 N/A LEU 499.A N TYR 510.A O no hydrogen 3.159 N/A GLY 501.A N GLU 512.A OE2 no hydrogen 3.019 N/A LEU 502.A N LEU 499.A O no hydrogen 3.120 N/A HIS 503.A ND1 GLY 501.A O no hydrogen 3.093 N/A SER 504.A N GLU 513.A OE1 no hydrogen 3.128 N/A TRP 506.A N SER 504.A OG no hydrogen 2.872 N/A ASN 507.A ND2 ASP 517.A OD2 no hydrogen 2.624 N/A THR 511.A N ILE 508.A O no hydrogen 2.961 N/A THR 511.A OG1 ILE 508.A O no hydrogen 2.603 N/A GLU 512.A N LEU 502.A O no hydrogen 2.927 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.780 N/A PHE 514.A N THR 511.A O no hydrogen 3.247 N/A PHE 514.A N THR 511.A OG1 no hydrogen 3.354 N/A GLN 515.A N THR 511.A O no hydrogen 3.395 N/A GLN 515.A NE2 ALA 496.A O no hydrogen 3.604 N/A GLN 515.A NE2 GLY 558.A O no hydrogen 3.376 N/A CYS 516.A N GLU 512.A O no hydrogen 3.354 N/A CYS 516.A SG GLU 512.A O no hydrogen 3.614 N/A CYS 516.A SG GLN 568.A OE1 no hydrogen 3.742 N/A ASP 517.A N GLU 513.A O no hydrogen 3.096 N/A PHE 518.A N PHE 514.A O no hydrogen 2.753 N/A TYR 519.A N GLN 515.A O no hydrogen 3.169 N/A TYR 519.A OH TYR 494.A O no hydrogen 2.732 N/A GLU 520.A N CYS 516.A O no hydrogen 3.053 N/A MET 521.A N ASP 517.A O no hydrogen 3.059 N/A SER 522.A N PHE 518.A O no hydrogen 3.032 N/A SER 522.A OG PHE 518.A O no hydrogen 3.073 N/A HIS 523.A N TYR 519.A O no hydrogen 2.835 N/A HIS 523.A NE2 TYR 494.A OH no hydrogen 2.635 N/A ARG 524.A N GLU 520.A O no hydrogen 3.012 N/A ARG 524.A NH1 GLU 470.A OE2 no hydrogen 3.135 N/A VAL 525.A N MET 521.A O no hydrogen 3.337 N/A PHE 526.A N SER 522.A O no hydrogen 3.060 N/A ASP 527.A N HIS 523.A O no hydrogen 3.031 N/A GLY 528.A N VAL 525.A O no hydrogen 2.834 N/A ILE 529.A N PHE 526.A O no hydrogen 2.909 N/A LEU 532.A N ILE 529.A O no hydrogen 2.941 N/A VAL 533.A N ILE 489.A O no hydrogen 2.894 N/A GLU 535.A N PHE 291.A O no hydrogen 2.785 N/A GLN 536.A N ILE 491.A O no hydrogen 2.728 N/A GLN 536.A NE2 SER 326.A OG no hydrogen 2.885 N/A VAL 537.A N GLY 293.A O no hydrogen 2.973 N/A TRP 538.A N TYR 494.A O no hydrogen 3.139 N/A ASN 539.A N LYS 557.A O no hydrogen 3.019 N/A PHE 540.A N GLY 295.A O no hydrogen 2.998 N/A ALA 541.A N ASN 539.A OD1 no hydrogen 2.887 N/A ASP 542.A N PHE 560.A O no hydrogen 3.070 N/A PHE 543.A N ASN 555.A O no hydrogen 3.300 N/A GLU 544.A N ASP 299.A OD2 no hydrogen 3.126 N/A THR 545.A N GLU 544.A OE1 no hydrogen 2.892 N/A THR 545.A OG1 ASN 546.A O no hydrogen 3.267 N/A ASN 546.A ND2.A GLU 159.A OE1 no hydrogen 2.686 N/A ARG 551.A N MET 548.A O no hydrogen 2.773 N/A ARG 551.A NE ASP 162.A OD1 no hydrogen 2.830 N/A ARG 551.A NE ASP 162.A OD2 no hydrogen 3.221 N/A ARG 551.A NH1 TYR 460.A OH no hydrogen 3.495 N/A ARG 551.A NH1 LEU 550.A O no hydrogen 2.955 N/A ARG 551.A NH2 ASP 162.A OD2 no hydrogen 3.035 N/A ARG 551.A NH2 TYR 460.A OH no hydrogen 3.011 N/A ASN 555.A N PHE 543.A O no hydrogen 2.938 N/A HIS 556.A N ASP 497.A OD1 no hydrogen 2.722 N/A LYS 557.A NZ TYR 460.A OH no hydrogen 2.957 N/A LYS 557.A NZ ASP 497.A OD2 no hydrogen 2.613 N/A GLY 558.A N ASP 542.A OD1 no hydrogen 2.904 N/A LEU 559.A N ASN 539.A O no hydrogen 3.029 N/A PHE 560.A N PHE 540.A O no hydrogen 2.919 N/A SER 561.A N GLN 565.A O no hydrogen 2.896 N/A ARG 562.A NE ASP 299.A OD1 no hydrogen 2.893 N/A ARG 562.A NH2 TYR 166.A OH no hydrogen 2.917 N/A ARG 562.A NH2 THR 300.A O no hydrogen 3.206 N/A ARG 564.A N SER 561.A O no hydrogen 2.747 N/A ARG 564.A NE ARG 562.A O no hydrogen 3.151 N/A ARG 564.A NH1 ASP 315.A OD1 no hydrogen 2.889 N/A ARG 564.A NH2 ASP 299.A O no hydrogen 2.815 N/A ARG 564.A NH2 ARG 562.A O no hydrogen 3.480 N/A GLN 565.A N ASN 563.A OD1 no hydrogen 3.036 N/A LYS 567.A N LEU 559.A O no hydrogen 3.079 N/A LYS 567.A NZ THR 498.A O no hydrogen 2.832 N/A LYS 567.A NZ ASP 542.A OD1 no hydrogen 2.861 N/A LYS 567.A NZ ASP 542.A OD2 no hydrogen 3.212 N/A LYS 567.A NZ GLY 558.A O no hydrogen 2.674 N/A GLN 568.A N GLU 512.A OE1 no hydrogen 2.934 N/A GLN 568.A NE2 GLU 513.A OE2 no hydrogen 3.526 N/A VAL 570.A N LYS 567.A O no hydrogen 2.897 N/A PHE 573.A N VAL 569.A O no hydrogen 3.143 N/A LYS 574.A N VAL 570.A O no hydrogen 3.053 N/A LYS 574.A NZ ASP 321.A OD1 no hydrogen 3.493 N/A LYS 574.A NZ ASP 321.A OD2 no hydrogen 2.753 N/A LYS 575.A N LYS 571.A O no hydrogen 3.140 N/A ARG 576.A N GLU 572.A O no hydrogen 3.034 N/A ARG 576.A NH1 GLU 535.A OE1 no hydrogen 2.877 N/A ARG 576.A NH2 ASP 527.A OD1 no hydrogen 2.937 N/A TRP 577.A N PHE 573.A O no hydrogen 2.787 N/A TRP 577.A NE1 GLU 535.A OE1 no hydrogen 2.902 N/A MET 578.A N LYS 574.A O no hydrogen 3.199 N/A THR 579.A N ARG 576.A O no hydrogen 2.907 N/A THR 579.A OG1 LYS 575.A O no hydrogen 2.756 N/A ILE 580.A N ARG 576.A O no hydrogen 3.053 N/A LYS 586.A NZ PHE 526.A O no hydrogen 3.012 N/A LYS 586.A NZ ILE 529.A O no hydrogen 2.951 N/A LYS 586.A NZ LEU 532.A O no hydrogen 3.061 N/A LYS 587.A NZ ASN 279.A O no hydrogen 2.967 N/A