Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ksi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASN 229.A OD1 no hydrogen 3.544 N/A HIS 3.A N ASP 6.A OD2 no hydrogen 2.825 N/A LEU 5.A N HIS 3.A ND1 no hydrogen 2.970 N/A ASP 6.A N HIS 3.A O no hydrogen 2.825 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.696 N/A THR 9.A OG1 GLU 12.A OE1 no hydrogen 3.081 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.123 N/A PHE 13.A N THR 9.A O no hydrogen 3.040 N/A LEU 14.A N LYS 10.A O no hydrogen 3.013 N/A ALA 15.A N GLU 11.A O no hydrogen 3.145 N/A VAL 16.A N GLU 12.A O no hydrogen 3.269 N/A GLN 17.A N PHE 13.A O no hydrogen 3.065 N/A GLN 17.A NE2 ASN 329.A O no hydrogen 2.728 N/A GLN 17.A NE2 THR 331.A OG1 no hydrogen 3.276 N/A THR 18.A N LEU 14.A O no hydrogen 2.973 N/A THR 18.A OG1 LEU 14.A O no hydrogen 3.253 N/A ILE 19.A N ALA 15.A O no hydrogen 2.842 N/A VAL 20.A N VAL 16.A O no hydrogen 3.157 N/A GLN 21.A N GLN 17.A O no hydrogen 2.787 N/A ASN 22.A N THR 18.A O no hydrogen 2.837 N/A LYS 23.A N VAL 20.A O no hydrogen 2.987 N/A LYS 23.A NZ ASP 87.A OD2 no hydrogen 3.041 N/A TYR 24.A N VAL 20.A O no hydrogen 2.857 N/A TYR 24.A OH ASP 87.A OD2 no hydrogen 3.071 N/A SER 27.A OG ASN 28.A OD1 no hydrogen 2.665 N/A ASN 28.A N PRO 25.A O no hydrogen 3.153 N/A ASN 29.A ND2 PRO 25.A O no hydrogen 2.620 N/A ARG 30.A N ASN 69.A OD1 no hydrogen 2.665 N/A ARG 30.A NH1 SER 70.A OG no hydrogen 2.942 N/A ALA 32.A N ILE 67.A O no hydrogen 2.767 N/A PHE 33.A N ALA 328.A O no hydrogen 2.527 N/A HIS 34.A N VAL 65.A O no hydrogen 2.794 N/A HIS 34.A ND1 ILE 97.A O no hydrogen 2.685 N/A TYR 35.A N VAL 65.A O no hydrogen 3.106 N/A TYR 35.A OH ASP 245.A OD1 no hydrogen 2.675 N/A ILE 36.A N HIS 326.A NE2 no hydrogen 3.016 N/A GLY 37.A N PHE 63.A O no hydrogen 3.101 N/A ASP 39.A N LYS 61.A O no hydrogen 2.576 N/A LYS 43.A NZ ASP 445.A OD1 no hydrogen 3.235 N/A LYS 43.A NZ ASP 445.A OD2 no hydrogen 2.514 N/A LYS 43.A NZ ASP 447.A OD1 no hydrogen 3.347 N/A LYS 43.A NZ ASP 586.A OD1 no hydrogen 3.130 N/A LYS 43.A NZ ASP 586.A OD2 no hydrogen 2.507 N/A HIS 45.A N GLU 42.A O no hydrogen 2.907 N/A VAL 46.A N GLU 42.A O no hydrogen 2.970 N/A LEU 47.A N LYS 43.A O no hydrogen 2.612 N/A ARG 48.A N ASP 44.A O no hydrogen 2.798 N/A TYR 49.A N HIS 45.A O no hydrogen 2.868 N/A GLU 50.A N VAL 46.A O no hydrogen 3.049 N/A THR 51.A OG1 ARG 48.A O no hydrogen 3.480 N/A HIS 52.A N ARG 48.A O no hydrogen 2.930 N/A HIS 52.A N TYR 49.A O no hydrogen 2.738 N/A LEU 55.A N HIS 52.A O no hydrogen 2.795 N/A VAL 56.A N PRO 53.A O no hydrogen 3.067 N/A ARG 60.A NE GLU 12.A OE2 no hydrogen 2.933 N/A ARG 60.A NH1 PRO 4.A O no hydrogen 3.420 N/A ARG 60.A NH1 ASP 6.A O no hydrogen 2.515 N/A ARG 60.A NH2 ASP 6.A O no hydrogen 2.805 N/A ARG 60.A NH2 GLU 12.A OE1 no hydrogen 3.062 N/A ILE 62.A N ILE 77.A O no hydrogen 3.114 N/A PHE 63.A N GLY 37.A O no hydrogen 2.814 N/A VAL 64.A N ILE 75.A O no hydrogen 2.823 N/A VAL 65.A N TYR 35.A O no hydrogen 2.785 N/A ALA 66.A N HIS 73.A O no hydrogen 3.137 N/A ILE 67.A N ALA 32.A O no hydrogen 2.769 N/A ILE 68.A N GLN 71.A O no hydrogen 2.719 N/A ASN 69.A N ARG 30.A O no hydrogen 2.681 N/A ASN 69.A ND2 ASN 29.A OD1 no hydrogen 2.888 N/A GLN 71.A N ILE 68.A O no hydrogen 3.123 N/A HIS 73.A N ALA 66.A O no hydrogen 2.917 N/A HIS 73.A ND1 ASP 87.A OD1 no hydrogen 2.667 N/A GLU 74.A N ASN 88.A O no hydrogen 2.658 N/A ILE 75.A N VAL 64.A O no hydrogen 3.009 N/A LEU 76.A N SER 86.A O no hydrogen 3.104 N/A ILE 77.A N ILE 62.A O no hydrogen 3.128 N/A ASN 78.A N SER 83.A O no hydrogen 3.043 N/A LEU 79.A N ARG 60.A O no hydrogen 3.130 N/A ARG 80.A N ASN 78.A OD1 no hydrogen 2.564 N/A ILE 81.A N ASN 78.A OD1 no hydrogen 3.399 N/A SER 83.A N ASN 78.A O no hydrogen 3.153 N/A SER 83.A OG ILE 84.A O no hydrogen 2.778 N/A VAL 85.A N LEU 76.A O no hydrogen 2.708 N/A SER 86.A OG ASN 88.A OD1 no hydrogen 3.442 N/A ASN 88.A N GLU 74.A O no hydrogen 2.893 N/A HIS 90.A N THR 72.A O no hydrogen 2.603 N/A PHE 95.A N ASP 564.A O no hydrogen 2.990 N/A LEU 98.A N GLU 298.A O no hydrogen 2.932 N/A SER 99.A N GLU 102.A OE2 no hydrogen 2.877 N/A GLU 102.A N SER 99.A OG no hydrogen 3.139 N/A GLN 103.A N SER 99.A O no hydrogen 3.400 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.012 N/A SER 104.A N VAL 100.A O no hydrogen 2.969 N/A SER 104.A OG VAL 100.A O no hydrogen 3.121 N/A LEU 105.A N ASP 101.A O no hydrogen 3.209 N/A LEU 105.A N GLU 102.A O no hydrogen 3.217 N/A ALA 106.A N GLU 102.A O no hydrogen 2.900 N/A ILE 107.A N GLN 103.A O no hydrogen 3.035 N/A LYS 108.A N LEU 105.A O no hydrogen 2.985 N/A LEU 109.A N ALA 106.A O no hydrogen 3.214 N/A LEU 111.A N LYS 108.A O no hydrogen 2.930 N/A LYS 112.A N LEU 109.A O no hydrogen 3.235 N/A TYR 113.A N PRO 110.A O no hydrogen 3.140 N/A PHE 116.A N TYR 113.A O no hydrogen 3.254 N/A ILE 117.A N TYR 113.A O no hydrogen 3.158 N/A ASP 118.A N PRO 114.A O no hydrogen 2.938 N/A SER 119.A N PRO 115.A O no hydrogen 3.169 N/A SER 119.A OG PRO 115.A O no hydrogen 3.224 N/A SER 119.A OG TYR 184.A OH no hydrogen 2.506 N/A SER 119.A OG ASP 186.A OD2 no hydrogen 2.623 N/A VAL 120.A N PHE 116.A O no hydrogen 2.849 N/A LYS 121.A N ILE 117.A O no hydrogen 3.317 N/A LYS 122.A N ASP 118.A O no hydrogen 2.866 N/A ARG 123.A N SER 119.A O no hydrogen 3.220 N/A ARG 123.A N VAL 120.A O no hydrogen 3.146 N/A ARG 123.A NH1 SER 119.A O no hydrogen 3.282 N/A ARG 123.A NH1 ASP 186.A OD1 no hydrogen 3.566 N/A ARG 123.A NH1 ASP 186.A OD2 no hydrogen 2.693 N/A ARG 123.A NH2 ASP 186.A OD1 no hydrogen 2.737 N/A ARG 123.A NH2 ASP 186.A OD2 no hydrogen 3.497 N/A ARG 123.A NH2 ASP 188.A O no hydrogen 2.660 N/A GLY 124.A N LYS 121.A O no hydrogen 2.650 N/A LEU 125.A N VAL 120.A O no hydrogen 2.956 N/A SER 128.A N ASN 126.A OD1 no hydrogen 2.811 N/A GLU 129.A N ASN 126.A O no hydrogen 2.958 N/A VAL 131.A N PHE 154.A O no hydrogen 2.967 N/A SER 133.A N ASP 152.A O no hydrogen 2.519 N/A PHE 135.A N ARG 150.A O no hydrogen 2.863 N/A THR 136.A OG1 GLU 298.A OE1 no hydrogen 2.644 N/A TRP 139.A NE1 GLU 142.A O no hydrogen 3.061 N/A PHE 140.A N GLU 142.A OE1 no hydrogen 2.969 N/A PHE 140.A N GLU 142.A OE2 no hydrogen 3.316 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.872 N/A ARG 147.A NH1 GLU 102.A OE1 no hydrogen 2.668 N/A ARG 147.A NH1 ASP 177.A OD1 no hydrogen 3.323 N/A ARG 147.A NH2 GLU 102.A OE1 no hydrogen 3.422 N/A ARG 147.A NH2 GLU 102.A OE2 no hydrogen 3.013 N/A THR 148.A N VAL 146.A O no hydrogen 2.841 N/A THR 148.A OG1 VAL 146.A O no hydrogen 3.525 N/A VAL 149.A N ALA 174.A O no hydrogen 3.070 N/A ARG 150.A N PHE 135.A O no hydrogen 3.024 N/A ARG 150.A NH1 GLU 286.A O no hydrogen 2.953 N/A ARG 150.A NH2 GLU 286.A O no hydrogen 2.926 N/A LEU 151.A N ILE 172.A O no hydrogen 2.941 N/A ASP 152.A N SER 133.A O no hydrogen 2.697 N/A PHE 154.A N VAL 131.A O no hydrogen 2.720 N/A MET 155.A N ARG 165.A O no hydrogen 2.811 N/A LYS 156.A N GLU 129.A O no hydrogen 2.889 N/A LYS 156.A NZ GLU 129.A OE1 no hydrogen 3.150 N/A THR 159.A OG1 THR 198.A OG1 no hydrogen 3.177 N/A VAL 160.A N GLU 199.A OE1 no hydrogen 3.155 N/A ASN 161.A N THR 159.A OG1 no hydrogen 2.806 N/A ASN 161.A ND2 THR 198.A O no hydrogen 2.526 N/A ASN 161.A ND2 PRO 605.A O no hydrogen 3.421 N/A ARG 165.A N ILE 162.A O no hydrogen 2.966 N/A ARG 165.A NE PRO 193.A O no hydrogen 2.987 N/A ARG 165.A NH1 GLU 157.A OE2 no hydrogen 2.991 N/A ARG 165.A NH2 GLU 157.A OE2 no hydrogen 3.192 N/A ARG 165.A NH2 PRO 193.A O no hydrogen 3.507 N/A ILE 167.A N CYS 153.A O no hydrogen 3.019 N/A GLY 169.A N GLU 287.A OE1 no hydrogen 3.118 N/A GLY 169.A N GLU 287.A OE2 no hydrogen 3.441 N/A THR 171.A N HIS 185.A O no hydrogen 2.628 N/A THR 171.A OG1 GLU 286.A OE1 no hydrogen 2.903 N/A VAL 173.A N GLU 183.A O no hydrogen 2.958 N/A ALA 174.A N VAL 149.A O no hydrogen 2.944 N/A ASP 175.A N LYS 180.A O no hydrogen 2.920 N/A LEU 176.A N ARG 147.A O no hydrogen 2.933 N/A ASP 177.A N ASP 175.A OD1 no hydrogen 2.669 N/A LEU 178.A N ASP 175.A OD1 no hydrogen 2.886 N/A LYS 180.A N ASP 175.A O no hydrogen 2.963 N/A VAL 182.A N VAL 173.A O no hydrogen 2.949 N/A GLU 183.A N VAL 173.A O no hydrogen 3.088 N/A TYR 184.A OH SER 119.A OG no hydrogen 2.506 N/A HIS 185.A N THR 171.A O no hydrogen 2.953 N/A ARG 187.A N GLY 169.A O no hydrogen 2.605 N/A ARG 187.A NE THR 171.A OG1 no hydrogen 2.753 N/A ARG 187.A NH1 GLU 287.A OE1 no hydrogen 3.087 N/A ARG 187.A NH2 THR 171.A OG1 no hydrogen 3.260 N/A ARG 187.A NH2 GLU 287.A OE1 no hydrogen 3.097 N/A ASP 188.A N GLY 169.A O no hydrogen 2.764 N/A ALA 191.A N ASN 411.A OD1 no hydrogen 2.661 N/A GLU 196.A N THR 194.A OG1 no hydrogen 2.885 N/A THR 198.A OG1 THR 159.A OG1 no hydrogen 3.177 N/A THR 198.A OG1 ALA 195.A O no hydrogen 2.650 N/A GLN 201.A N GLU 199.A OE2 no hydrogen 2.990 N/A GLN 205.A N VAL 202.A O no hydrogen 2.937 N/A GLN 205.A NE2 GLU 199.A O no hydrogen 3.384 N/A GLN 220.A NE2 GLU 343.A OE1 no hydrogen 2.683 N/A GLN 220.A NE2 TYR 345.A OH no hydrogen 3.004 N/A GLY 223.A N GLN 220.A O no hydrogen 2.778 N/A GLY 225.A N GLU 343.A OE1 no hydrogen 2.722 N/A GLN 227.A N SER 234.A O no hydrogen 2.722 N/A ASN 229.A N SER 232.A O no hydrogen 2.755 N/A SER 232.A N ASN 229.A O no hydrogen 3.053 N/A VAL 233.A N PHE 240.A O no hydrogen 2.691 N/A SER 234.A N GLN 227.A O no hydrogen 2.949 N/A TRP 235.A N TRP 238.A O no hydrogen 2.915 N/A TRP 235.A NE1 GLU 343.A OE2 no hydrogen 2.683 N/A ASN 237.A ND2 ALA 391.A O no hydrogen 2.805 N/A TRP 238.A N TRP 235.A O no hydrogen 2.802 N/A TRP 238.A NE1 LYS 390.A O no hydrogen 2.841 N/A LYS 239.A N SER 256.A O no hydrogen 3.084 N/A PHE 240.A N VAL 233.A O no hydrogen 3.122 N/A HIS 241.A N SER 253.A O no hydrogen 2.597 N/A HIS 241.A NE2 ASP 6.A OD1 no hydrogen 2.739 N/A ILE 242.A N HIS 231.A O no hydrogen 2.745 N/A GLY 243.A N VAL 251.A O no hydrogen 2.847 N/A ASP 245.A N GLY 249.A O no hydrogen 3.009 N/A ARG 247.A N ASP 245.A OD2 no hydrogen 2.898 N/A ARG 247.A NH1 LEU 561.A O no hydrogen 3.084 N/A ARG 247.A NH2 GLY 560.A O no hydrogen 2.621 N/A ARG 247.A NH2 LEU 561.A O no hydrogen 3.509 N/A ALA 248.A N ASP 245.A OD2 no hydrogen 2.965 N/A GLY 249.A N ASP 245.A O no hydrogen 2.854 N/A VAL 251.A N GLY 243.A O no hydrogen 3.070 N/A ILE 252.A N GLY 272.A O no hydrogen 2.938 N/A SER 253.A N HIS 241.A O no hydrogen 2.909 N/A LEU 254.A N TYR 270.A O no hydrogen 2.640 N/A ALA 255.A N LEU 269.A O no hydrogen 2.777 N/A SER 256.A N LYS 239.A O no hydrogen 3.193 N/A SER 256.A OG ARG 266.A O no hydrogen 3.543 N/A ILE 257.A N ARG 266.A O no hydrogen 2.870 N/A TYR 258.A N ASN 237.A O no hydrogen 2.706 N/A ASP 259.A N LYS 264.A O no hydrogen 2.534 N/A GLU 261.A N ASP 259.A OD1 no hydrogen 3.132 N/A LYS 262.A N ASP 259.A OD1 no hydrogen 3.073 N/A LYS 264.A N ASP 259.A O no hydrogen 3.086 N/A LYS 264.A NZ ASP 449.A OD1 no hydrogen 3.218 N/A ARG 266.A N ILE 257.A O no hydrogen 2.780 N/A ARG 266.A NE ASP 449.A OD2 no hydrogen 2.962 N/A ARG 266.A NH1 ASP 259.A OD2 no hydrogen 2.654 N/A ARG 266.A NH1 PHE 621.A O no hydrogen 2.793 N/A ARG 266.A NH2 ASP 449.A OD2 no hydrogen 2.855 N/A ARG 266.A NH2 PHE 621.A O no hydrogen 2.980 N/A ARG 267.A NH2 ASP 447.A OD2 no hydrogen 2.325 N/A VAL 268.A N ALA 255.A O no hydrogen 2.823 N/A LEU 269.A N ALA 255.A O no hydrogen 3.033 N/A TYR 270.A N ASP 445.A O no hydrogen 2.664 N/A LYS 271.A NZ ASP 40.A OD2 no hydrogen 3.313 N/A GLY 272.A N ILE 252.A O no hydrogen 2.752 N/A TYR 273.A N TYR 443.A O no hydrogen 3.230 N/A TYR 273.A OH LYS 556.A O no hydrogen 2.767 N/A SER 275.A N ILE 441.A O no hydrogen 2.738 N/A SER 275.A OG LYS 556.A O no hydrogen 3.167 N/A LEU 277.A N GLU 276.A OE2 no hydrogen 3.102 N/A PHE 278.A N PHE 439.A O no hydrogen 3.032 N/A VAL 279.A N PHE 293.A O no hydrogen 2.941 N/A TYR 281.A N LYS 291.A O no hydrogen 2.985 N/A GLN 282.A NE2 PRO 280.A O no hydrogen 3.044 N/A THR 285.A N ASP 283.A OD1 no hydrogen 2.892 N/A THR 285.A OG1 ASP 283.A OD1 no hydrogen 2.687 N/A THR 285.A OG1 ASP 283.A OD2 no hydrogen 3.443 N/A PHE 288.A N THR 285.A O no hydrogen 2.880 N/A TYR 289.A N THR 285.A O no hydrogen 2.695 N/A LYS 291.A N PHE 288.A O no hydrogen 2.896 N/A LYS 291.A NZ GLU 406.A OE1 no hydrogen 3.545 N/A THR 292.A OG1 THR 292.A O no hydrogen 2.530 N/A PHE 294.A N GLU 298.A OE1 no hydrogen 3.247 N/A GLY 297.A N GLU 276.A OE1 no hydrogen 3.224 N/A GLY 297.A N GLU 276.A OE2 no hydrogen 3.192 N/A GLU 298.A N PHE 294.A O no hydrogen 2.859 N/A PHE 299.A N ASP 295.A O no hydrogen 2.984 N/A GLY 300.A N SER 296.A O no hydrogen 2.782 N/A PHE 301.A N ARG 247.A O no hydrogen 2.679 N/A LEU 303.A N VAL 246.A O no hydrogen 2.947 N/A SER 304.A N GLY 300.A O no hydrogen 2.865 N/A SER 304.A OG GLY 300.A O no hydrogen 2.694 N/A THR 305.A N GLY 302.A O no hydrogen 3.166 N/A THR 305.A OG1 PHE 301.A O no hydrogen 2.636 N/A THR 305.A OG1 GLY 302.A O no hydrogen 3.331 N/A VAL 306.A N ILE 376.A O no hydrogen 3.000 N/A SER 307.A OG LYS 336.A O no hydrogen 2.665 N/A LEU 308.A N ASN 337.A O no hydrogen 2.803 N/A ILE 309.A N ASP 313.A OD2 no hydrogen 2.815 N/A ARG 312.A N ILE 309.A O no hydrogen 3.020 N/A ASP 313.A N ILE 309.A O no hydrogen 2.879 N/A HIS 317.A NE2 GLU 343.A O no hydrogen 2.777 N/A ALA 318.A N PRO 315.A O no hydrogen 2.940 N/A GLN 319.A N VAL 341.A O no hydrogen 2.888 N/A ILE 321.A N ILE 339.A O no hydrogen 2.703 N/A THR 323.A N LEU 335.A O no hydrogen 3.120 N/A VAL 325.A N ILE 333.A O no hydrogen 2.728 N/A HIS 326.A ND1 SER 327.A O no hydrogen 3.078 N/A SER 327.A N THR 331.A O no hydrogen 2.705 N/A SER 327.A OG ASN 329.A OD1 no hydrogen 2.593 N/A SER 327.A OG THR 331.A O no hydrogen 3.450 N/A ALA 328.A N ASP 101.A OD1 no hydrogen 2.960 N/A GLY 330.A N SER 327.A O no hydrogen 2.912 N/A THR 331.A N SER 327.A OG no hydrogen 3.148 N/A THR 331.A N ASN 329.A OD1 no hydrogen 2.784 N/A THR 331.A OG1 ASN 329.A OD1 no hydrogen 2.433 N/A ILE 333.A N VAL 325.A O no hydrogen 2.574 N/A LEU 335.A N THR 323.A O no hydrogen 2.597 N/A LYS 336.A NZ ASP 322.A OD2 no hydrogen 3.002 N/A ASN 337.A N ASP 322.A OD1 no hydrogen 2.449 N/A ASN 337.A ND2 LEU 308.A O no hydrogen 3.676 N/A ALA 338.A N ILE 321.A O no hydrogen 2.819 N/A ILE 339.A N ILE 321.A O no hydrogen 3.252 N/A CYS 340.A N ARG 374.A O no hydrogen 3.018 N/A VAL 341.A N GLN 319.A O no hydrogen 2.782 N/A PHE 342.A N ILE 372.A O no hydrogen 2.876 N/A GLN 344.A N ASN 370.A O no hydrogen 2.656 N/A MET 349.A N ARG 366.A O no hydrogen 2.653 N/A TRP 350.A NE1 VAL 627.A O no hydrogen 3.070 N/A ARG 351.A NH1 THR 353.A OG1 no hydrogen 2.856 N/A ARG 351.A NH2 THR 353.A OG1 no hydrogen 3.174 N/A HIS 352.A N GLU 364.A O no hydrogen 2.658 N/A HIS 352.A NE2 GLU 354.A OE1 no hydrogen 3.233 N/A GLU 354.A N ILE 362.A O no hydrogen 2.838 N/A GLY 356.A N GLU 354.A OE2 no hydrogen 2.753 N/A GLU 360.A N ILE 357.A O no hydrogen 3.238 N/A GLU 364.A N HIS 352.A O no hydrogen 2.673 N/A ARG 366.A N TRP 350.A O no hydrogen 2.989 N/A ARG 366.A NE GLU 364.A OE2 no hydrogen 2.999 N/A ARG 366.A NH1 THR 630.A O no hydrogen 3.187 N/A ARG 366.A NH2 GLU 364.A OE2 no hydrogen 3.373 N/A THR 367.A N SER 632.A OG no hydrogen 2.705 N/A THR 367.A OG1 SER 632.A OG no hydrogen 3.271 N/A GLU 368.A N ASN 347.A O no hydrogen 2.927 N/A ASN 370.A N GLN 344.A O no hydrogen 2.888 N/A ASN 370.A ND2 GLN 344.A OE1 no hydrogen 3.319 N/A ASN 370.A ND2 GLU 368.A OE2 no hydrogen 3.288 N/A LEU 371.A N PHE 389.A O no hydrogen 3.176 N/A ILE 372.A N PHE 342.A O no hydrogen 2.872 N/A VAL 373.A N TRP 387.A O no hydrogen 3.035 N/A ARG 374.A N CYS 340.A O no hydrogen 2.890 N/A ARG 374.A NE ASP 386.A OD1 no hydrogen 2.859 N/A ARG 374.A NH1 ASP 313.A O no hydrogen 2.925 N/A ARG 374.A NH2 ASP 386.A OD1 no hydrogen 3.352 N/A ARG 374.A NH2 ASP 386.A OD2 no hydrogen 2.826 N/A THR 375.A N ILE 385.A O no hydrogen 2.961 N/A THR 375.A OG1 ALA 338.A O no hydrogen 2.837 N/A VAL 377.A N ASN 383.A O no hydrogen 3.017 N/A THR 378.A N SER 304.A O no hydrogen 3.124 N/A THR 378.A OG1 ASP 382.A OD2 no hydrogen 3.195 N/A ASN 381.A ND2 ILE 404.A O no hydrogen 2.621 N/A ASN 383.A N VAL 377.A O no hydrogen 2.941 N/A ASN 383.A ND2 VAL 377.A O no hydrogen 3.156 N/A VAL 384.A N ALA 400.A O no hydrogen 2.848 N/A ILE 385.A N THR 375.A O no hydrogen 2.862 N/A ASP 386.A N SER 398.A O no hydrogen 2.886 N/A TRP 387.A N VAL 373.A O no hydrogen 2.945 N/A GLU 388.A N LYS 396.A O no hydrogen 3.076 N/A PHE 389.A N LEU 371.A O no hydrogen 2.821 N/A LYS 390.A N SER 394.A O no hydrogen 2.781 N/A LYS 390.A NZ GLU 368.A OE2 no hydrogen 3.091 N/A GLY 393.A N LYS 390.A O no hydrogen 2.850 N/A SER 394.A OG GLU 615.A OE2 no hydrogen 2.557 N/A ILE 395.A N LEU 616.A O no hydrogen 3.032 N/A LYS 396.A N GLU 388.A O no hydrogen 2.620 N/A SER 398.A N ASP 386.A O no hydrogen 2.851 N/A ILE 399.A N THR 612.A O no hydrogen 3.090 N/A ALA 400.A N VAL 384.A O no hydrogen 2.919 N/A LEU 401.A N LEU 610.A O no hydrogen 2.740 N/A SER 402.A N ASP 382.A O no hydrogen 3.182 N/A SER 402.A OG MET 607.A O no hydrogen 2.832 N/A GLY 403.A N SER 402.A OG no hydrogen 2.764 N/A ILE 404.A N ASN 381.A O no hydrogen 2.874 N/A LYS 408.A N ILE 432.A O no hydrogen 2.957 N/A LYS 408.A NZ ASP 283.A OD1 no hydrogen 3.564 N/A LYS 408.A NZ ASP 283.A OD2 no hydrogen 2.510 N/A GLY 409.A N THR 168.A OG1 no hydrogen 2.889 N/A THR 410.A N ASN 430.A O no hydrogen 2.907 N/A ASN 411.A ND2 ILE 189.A O no hydrogen 3.665 N/A ILE 412.A N THR 410.A OG1 no hydrogen 3.301 N/A LYS 413.A N GLU 417.A OE1 no hydrogen 2.781 N/A ASP 416.A N HIS 414.A ND1.B no hydrogen 2.614 N/A GLU 417.A N HIS 414.A O no hydrogen 2.804 N/A ILE 418.A N LYS 415.A O no hydrogen 3.307 N/A LYS 419.A NZ ASP 416.A O no hydrogen 3.487 N/A HIS 423.A N ASP 421.A OD1 no hydrogen 2.875 N/A LYS 425.A N GLY 433.A O no hydrogen 2.880 N/A VAL 427.A N SER 431.A O no hydrogen 3.106 N/A ASN 430.A N ILE 412.A O no hydrogen 2.939 N/A ASN 430.A ND2 THR 410.A O no hydrogen 2.811 N/A SER 431.A N SER 428.A O no hydrogen 2.972 N/A SER 431.A OG ALA 429.A O no hydrogen 3.030 N/A ILE 432.A N LYS 408.A O no hydrogen 3.098 N/A GLY 433.A N LYS 425.A O no hydrogen 2.762 N/A TYR 435.A N HIS 423.A O no hydrogen 3.028 N/A HIS 436.A N HIS 597.A O no hydrogen 3.461 N/A HIS 436.A ND1 ILE 434.A O no hydrogen 2.876 N/A ASP 437.A N PRO 280.A O no hydrogen 3.242 N/A HIS 438.A N ILE 595.A O no hydrogen 3.003 N/A PHE 439.A N PHE 278.A O no hydrogen 2.918 N/A TYR 440.A N VAL 593.A O no hydrogen 2.916 N/A TYR 440.A OH ASN 383.A OD1 no hydrogen 2.670 N/A ILE 441.A N GLU 276.A O no hydrogen 3.010 N/A TYR 442.A N HIS 591.A O no hydrogen 2.975 N/A TYR 443.A N TYR 273.A O no hydrogen 2.918 N/A LEU 444.A N MET 589.A O no hydrogen 2.616 N/A ASP 445.A N LYS 271.A O no hydrogen 2.799 N/A PHE 446.A N LEU 444.A O no hydrogen 2.878 N/A ASP 447.A N VAL 268.A O no hydrogen 2.937 N/A ILE 448.A N ASN 453.A OD1 no hydrogen 2.929 N/A ASP 449.A N ARG 267.A O no hydrogen 2.650 N/A GLY 450.A N ASP 447.A O no hydrogen 3.056 N/A ASN 453.A N LYS 585.A O no hydrogen 2.850 N/A ASN 453.A ND2 ILE 448.A O no hydrogen 3.282 N/A ASN 453.A ND2 GLY 450.A O no hydrogen 3.365 N/A ASN 453.A ND2 HIS 452.A O no hydrogen 2.729 N/A SER 454.A N VAL 503.A O no hydrogen 2.995 N/A GLU 456.A N VAL 501.A O no hydrogen 2.701 N/A LYS 457.A N GLN 481.A O no hydrogen 2.820 N/A THR 458.A N GLU 499.A O no hydrogen 3.080 N/A THR 458.A OG1 THR 480.A OG1 no hydrogen 2.852 N/A SER 459.A N GLU 479.A O no hydrogen 2.792 N/A LEU 460.A N PRO 497.A O no hydrogen 3.132 N/A LYS 461.A N THR 477.A O no hydrogen 2.481 N/A LYS 461.A NZ GLU 479.A OE1 no hydrogen 3.297 N/A VAL 463.A N TYR 475.A O no hydrogen 2.642 N/A ILE 465.A N LYS 473.A O no hydrogen 2.913 N/A SER 469.A N ASP 467.A OD1 no hydrogen 3.403 N/A SER 469.A OG ASP 467.A OD1 no hydrogen 2.536 N/A SER 469.A OG ASP 467.A OD2 no hydrogen 3.117 N/A ARG 472.A N SER 470.A OG no hydrogen 3.226 N/A ARG 472.A NE SER 474.A O no hydrogen 3.242 N/A ARG 472.A NH2 SER 474.A O no hydrogen 2.960 N/A TYR 475.A N VAL 463.A O no hydrogen 2.929 N/A THR 477.A N LYS 461.A O no hydrogen 2.616 N/A GLU 479.A N SER 459.A O no hydrogen 2.743 N/A THR 480.A OG1 THR 458.A OG1 no hydrogen 2.852 N/A GLN 481.A N LYS 457.A O no hydrogen 2.881 N/A ALA 483.A N PHE 455.A O no hydrogen 2.908 N/A LYS 484.A N ASP 488.A OD2 no hydrogen 2.940 N/A THR 485.A N ASP 488.A OD2 no hydrogen 3.186 N/A THR 485.A OG1 SER 487.A OG no hydrogen 2.792 N/A THR 485.A OG1 ASP 488.A OD2 no hydrogen 3.518 N/A THR 485.A OG1 ASN 579.A OD1 no hydrogen 3.096 N/A GLU 486.A N ARG 580.A O no hydrogen 2.912 N/A SER 487.A N ASN 579.A OD1 no hydrogen 2.795 N/A SER 487.A OG THR 485.A OG1 no hydrogen 2.792 N/A SER 487.A OG ASN 579.A OD1 no hydrogen 2.793 N/A ASP 488.A N THR 485.A O no hydrogen 2.655 N/A ALA 489.A N THR 485.A O no hydrogen 3.287 N/A ALA 489.A N GLU 486.A O no hydrogen 3.046 N/A ILE 491.A N VAL 546.A O no hydrogen 2.962 N/A ILE 493.A N ASN 545.A OD1 no hydrogen 2.955 N/A LEU 495.A N THR 492.A O no hydrogen 3.470 N/A GLU 499.A N THR 458.A O no hydrogen 2.755 N/A VAL 501.A N GLU 456.A O no hydrogen 2.837 N/A VAL 502.A N TYR 517.A O no hydrogen 2.947 N/A VAL 503.A N SER 454.A O no hydrogen 2.934 N/A ASN 504.A N VAL 515.A O no hydrogen 3.026 N/A ASN 506.A ND2 HIS 452.A O no hydrogen 3.660 N/A ASN 506.A ND2 ASN 584.A OD1 no hydrogen 2.732 N/A ILE 507.A N ASN 504.A O no hydrogen 3.267 N/A THR 509.A N ASN 513.A O no hydrogen 2.656 N/A THR 509.A OG1 ASN 513.A O no hydrogen 3.434 N/A ALA 510.A N GLU 623.A OE1 no hydrogen 3.053 N/A GLY 512.A N THR 509.A O no hydrogen 2.655 N/A ASN 513.A N THR 509.A OG1 no hydrogen 3.006 N/A VAL 515.A N ILE 507.A O no hydrogen 3.002 N/A TYR 517.A N VAL 502.A O no hydrogen 3.094 N/A TYR 517.A OH GLY 393.A O no hydrogen 2.578 N/A ARG 518.A N ARG 617.A O no hydrogen 2.809 N/A LEU 519.A N LEU 500.A O no hydrogen 3.031 N/A ILE 520.A N GLU 615.A O no hydrogen 2.774 N/A THR 530.A OG1 ASP 532.A OD1 no hydrogen 2.765 N/A ASP 533.A N THR 530.A O no hydrogen 3.234 N/A TYR 534.A N ASP 533.A OD1 no hydrogen 2.919 N/A ILE 537.A N ASP 533.A O no hydrogen 3.081 N/A ARG 538.A N TYR 534.A O no hydrogen 3.029 N/A ARG 538.A NE SER 566.A O no hydrogen 3.181 N/A ARG 538.A NE SER 566.A OG no hydrogen 2.728 N/A ARG 538.A NH2 GLU 298.A OE2 no hydrogen 3.180 N/A ARG 538.A NH2 VAL 563.A O no hydrogen 2.912 N/A ARG 538.A NH2 SER 566.A OG no hydrogen 3.424 N/A GLY 539.A N PRO 535.A O no hydrogen 2.553 N/A THR 542.A N GLY 539.A O no hydrogen 3.209 N/A THR 542.A OG1 GLY 539.A O no hydrogen 2.929 N/A ASN 543.A N ALA 540.A O no hydrogen 3.223 N/A ASN 545.A N ILE 491.A O no hydrogen 3.014 N/A ASN 545.A ND2 ALA 525.A O no hydrogen 3.294 N/A VAL 546.A N ILE 491.A O no hydrogen 3.273 N/A TRP 547.A N TRP 590.A O no hydrogen 2.758 N/A TRP 547.A NE1 PHE 541.A O no hydrogen 2.993 N/A THR 549.A N VAL 588.A O no hydrogen 2.968 N/A ALA 550.A N GLU 486.A OE2 no hydrogen 2.919 N/A TYR 551.A N ASP 586.A O no hydrogen 3.083 N/A ARG 553.A NH1 ASP 40.A O no hydrogen 2.342 N/A THR 554.A N ASN 552.A OD1 no hydrogen 2.811 N/A THR 554.A OG1 ASN 552.A OD1 no hydrogen 3.342 N/A GLU 555.A N ASN 552.A O no hydrogen 2.840 N/A LYS 556.A NZ ASP 40.A OD2 no hydrogen 2.936 N/A ALA 558.A N SER 275.A OG no hydrogen 2.953 N/A GLY 560.A N TRP 557.A O no hydrogen 3.237 N/A LEU 561.A N ASP 570.A OD2 no hydrogen 3.161 N/A TYR 562.A OH GLU 74.A OE2 no hydrogen 2.545 N/A HIS 565.A NE2 THR 148.A O no hydrogen 2.792 N/A SER 566.A N VAL 563.A O no hydrogen 3.000 N/A SER 566.A OG VAL 563.A O no hydrogen 3.166 N/A ARG 567.A N ASP 569.A OD1 no hydrogen 3.324 N/A ARG 567.A NH1 GLU 143.A OE1 no hydrogen 3.480 N/A ARG 567.A NH2 GLU 143.A O no hydrogen 3.267 N/A LEU 572.A N ALA 558.A O no hydrogen 2.829 N/A VAL 574.A N THR 571.A O no hydrogen 2.847 N/A VAL 574.A N THR 571.A OG1 no hydrogen 3.414 N/A TRP 575.A N THR 571.A O no hydrogen 3.030 N/A TRP 575.A NE1 ASP 570.A OD1 no hydrogen 3.331 N/A THR 576.A N LEU 572.A O no hydrogen 3.238 N/A THR 576.A OG1 LEU 572.A O no hydrogen 3.492 N/A THR 576.A OG1 ALA 573.A O no hydrogen 3.275 N/A LYS 577.A N VAL 574.A O no hydrogen 3.012 N/A GLN 578.A N TRP 575.A O no hydrogen 3.302 N/A GLN 578.A NE2 TRP 575.A O no hydrogen 3.199 N/A ASN 579.A N THR 576.A O no hydrogen 2.870 N/A ARG 580.A N GLU 486.A OE1 no hydrogen 2.888 N/A ARG 580.A NE GLU 486.A OE1 no hydrogen 2.927 N/A ARG 580.A NH1 GLU 555.A OE1 no hydrogen 3.439 N/A ARG 580.A NH2 GLU 555.A OE1 no hydrogen 3.003 N/A ARG 580.A NH2 TRP 575.A O no hydrogen 3.429 N/A ILE 582.A N LYS 484.A O no hydrogen 3.213 N/A ASN 584.A N SER 454.A OG no hydrogen 2.929 N/A ASN 584.A ND2 ASN 506.A OD1 no hydrogen 3.583 N/A LYS 585.A N ASN 453.A O no hydrogen 3.104 N/A LYS 585.A NZ GLU 581.A O no hydrogen 2.943 N/A VAL 588.A N THR 549.A O no hydrogen 2.942 N/A MET 589.A N LEU 444.A O no hydrogen 2.869 N/A TRP 590.A N TRP 547.A O no hydrogen 2.806 N/A TRP 590.A NE1 THR 549.A OG1 no hydrogen 2.928 N/A HIS 591.A N TYR 442.A O no hydrogen 3.246 N/A HIS 591.A ND1 ASN 545.A O no hydrogen 2.891 N/A VAL 592.A N ASN 545.A O no hydrogen 2.785 N/A VAL 593.A N TYR 440.A O no hydrogen 2.913 N/A ILE 595.A N HIS 438.A O no hydrogen 2.950 N/A HIS 596.A ND1 ASP 437.A OD1 no hydrogen 2.766 N/A HIS 597.A N HIS 436.A O no hydrogen 2.831 N/A HIS 597.A NE2 ASP 603.A OD2 no hydrogen 2.719 N/A ALA 600.A N ASP 603.A OD2 no hydrogen 3.280 N/A ASP 603.A N ALA 600.A O no hydrogen 3.041 N/A PHE 604.A N GLN 601.A O no hydrogen 3.328 N/A MET 607.A N GLY 403.A O no hydrogen 2.871 N/A LEU 610.A N LEU 401.A O no hydrogen 3.174 N/A THR 612.A N ILE 399.A O no hydrogen 2.970 N/A PHE 614.A N PRO 397.A O no hydrogen 3.373 N/A GLU 615.A N ILE 520.A O no hydrogen 2.933 N/A LEU 616.A N ILE 395.A O no hydrogen 2.795 N/A ARG 617.A N ARG 518.A O no hydrogen 2.875 N/A ARG 617.A NH1 GLU 615.A OE2 no hydrogen 3.209 N/A THR 619.A N GLY 516.A O no hydrogen 2.927 N/A THR 619.A OG1 ARG 617.A O no hydrogen 3.060 N/A VAL 627.A N ASN 625.A OD1 no hydrogen 2.786 N/A LEU 628.A N ASN 625.A O no hydrogen 3.138 N/A THR 630.A N VAL 627.A O no hydrogen 3.260 N/A SER 632.A OG THR 367.A OG1 no hydrogen 3.271 N/A ARG 634.A NH2 SER 632.A O no hydrogen 2.987 N/A