Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ub2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N TRP 6.A O no hydrogen 3.303 N/A ILE 14.A N ASN 11.A O no hydrogen 3.274 N/A LEU 15.A N LEU 12.A O no hydrogen 2.986 N/A SER 16.A N ASP 13.A O no hydrogen 3.140 N/A SER 16.A OG ASP 13.A O no hydrogen 3.278 N/A GLN 17.A NE2 HIS 158.A NE2 no hydrogen 3.617 N/A ARG 20.A N ASP 19.A OD1 no hydrogen 2.733 N/A THR 22.A N ASP 19.A O no hydrogen 3.061 N/A THR 22.A OG1 ASP 19.A O no hydrogen 2.998 N/A ASN 23.A N ASP 19.A O no hydrogen 3.162 N/A ASN 23.A N ARG 20.A O no hydrogen 3.248 N/A MET 25.A N ASN 23.A OD1 no hydrogen 3.178 N/A PHE 29.A N GLY 26.A O no hydrogen 3.290 N/A ASN 30.A ND2 GLU 33.A OE2 no hydrogen 3.295 N/A TYR 31.A OH ASP 129.A OD2 no hydrogen 2.585 N/A GLU 33.A N ASN 30.A O no hydrogen 3.186 N/A GLU 34.A N ASN 30.A O no hydrogen 3.208 N/A VAL 35.A N TYR 31.A O no hydrogen 2.714 N/A GLN 36.A N GLN 32.A O no hydrogen 3.360 N/A LYS 37.A N GLU 34.A O no hydrogen 3.162 N/A LYS 37.A NZ GLU 33.A O no hydrogen 3.153 N/A LEU 38.A N VAL 35.A O no hydrogen 2.975 N/A ALA 41.A N ASP 39.A OD2 no hydrogen 3.279 N/A LYS 43.A N ALA 40.A O no hydrogen 3.009 N/A LYS 43.A NZ ASP 404.A OD2 no hydrogen 2.715 N/A LEU 46.A N LEU 42.A O no hydrogen 3.156 N/A GLN 47.A N LYS 43.A O no hydrogen 2.958 N/A ALA 48.A N GLN 44.A O no hydrogen 2.961 N/A LEU 49.A N ASP 45.A O no hydrogen 2.917 N/A MET 50.A N LEU 46.A O no hydrogen 3.384 N/A THR 51.A N ALA 48.A O no hydrogen 3.113 N/A ASP 52.A N LEU 49.A O no hydrogen 2.919 N/A GLN 54.A N TYR 64.A OH no hydrogen 2.879 N/A GLN 54.A NE2 ASP 52.A O no hydrogen 3.059 N/A TRP 57.A N GLN 54.A O no hydrogen 3.060 N/A ALA 59.A N SER 53.A OG no hydrogen 3.088 N/A TRP 61.A N VAL 340.A O no hydrogen 2.985 N/A TRP 61.A NE1 VAL 338.A O no hydrogen 3.007 N/A GLY 62.A N ALA 59.A O no hydrogen 2.916 N/A HIS 63.A N ASP 60.A O no hydrogen 2.804 N/A TYR 64.A N MET 50.A O no hydrogen 2.886 N/A TYR 64.A OH TRP 57.A O no hydrogen 2.756 N/A GLY 65.A N HIS 63.A ND1 no hydrogen 2.853 N/A MET 68.A N TYR 64.A O no hydrogen 2.761 N/A ILE 69.A N GLY 65.A O no hydrogen 2.795 N/A ARG 70.A N GLY 66.A O no hydrogen 3.077 N/A ARG 70.A NH1 THR 105.A O no hydrogen 3.056 N/A ARG 70.A NH2 THR 105.A O no hydrogen 3.015 N/A LEU 71.A N LEU 67.A O no hydrogen 3.024 N/A THR 72.A N MET 68.A O no hydrogen 3.089 N/A THR 72.A OG1 MET 68.A O no hydrogen 3.424 N/A THR 72.A OG1 ILE 131.A O no hydrogen 2.743 N/A TRP 73.A N ILE 69.A O no hydrogen 2.832 N/A HIS 74.A N ARG 70.A O no hydrogen 2.828 N/A ALA 75.A N LEU 71.A O no hydrogen 2.943 N/A ALA 76.A N THR 72.A O no hydrogen 2.898 N/A GLY 77.A N TRP 73.A O no hydrogen 2.574 N/A TYR 79.A N ALA 76.A O no hydrogen 3.314 N/A TYR 79.A OH ASP 457.A OD1 no hydrogen 2.642 N/A ARG 80.A N ARG 85.A O no hydrogen 3.061 N/A ARG 80.A NE ASP 83.A OD1 no hydrogen 3.019 N/A ARG 80.A NH1 TYR 164.A O no hydrogen 2.942 N/A ARG 80.A NH2 ASP 83.A OD2 no hydrogen 3.018 N/A ARG 80.A NH2 TYR 164.A O no hydrogen 3.104 N/A ILE 81.A N ARG 226.A O no hydrogen 2.896 N/A GLY 84.A N ARG 80.A O no hydrogen 2.740 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 3.095 N/A ARG 85.A NE ASP 162.A OD1 no hydrogen 2.859 N/A ARG 85.A NH1 ASP 83.A OD2 no hydrogen 2.885 N/A GLY 89.A N ASP 393.A OD2 no hydrogen 2.794 N/A THR 90.A OG1 GLU 160.A OE2 no hydrogen 2.671 N/A ASN 92.A ND2 GLY 87.A O no hydrogen 3.572 N/A ARG 94.A N GLY 91.A O no hydrogen 3.356 N/A PHE 95.A N ASN 92.A O no hydrogen 3.105 N/A ASN 99.A N PHE 95.A O no hydrogen 2.985 N/A ASN 99.A ND2 PRO 97.A O no hydrogen 3.620 N/A SER 100.A N PRO 97.A O no hydrogen 2.878 N/A TRP 101.A N LEU 98.A O no hydrogen 3.439 N/A ASP 103.A N GLY 198.A O no hydrogen 3.172 N/A ASN 104.A N TRP 101.A O no hydrogen 2.920 N/A THR 105.A N PRO 102.A O no hydrogen 3.055 N/A THR 105.A OG1 PRO 102.A O no hydrogen 2.523 N/A ASN 106.A ND2 THR 286.A OG1 no hydrogen 3.026 N/A LEU 107.A N ASN 104.A O no hydrogen 2.920 N/A LYS 109.A N ASN 106.A O no hydrogen 3.082 N/A LYS 109.A NZ ASN 106.A OD1 no hydrogen 2.857 N/A LYS 109.A NZ ASP 108.A OD1 no hydrogen 2.722 N/A LYS 109.A NZ ASP 108.A OD2 no hydrogen 3.151 N/A LYS 109.A NZ GLY 271.A O no hydrogen 2.698 N/A ARG 111.A N LEU 107.A O no hydrogen 2.971 N/A ARG 112.A N ASP 108.A O no hydrogen 3.058 N/A ARG 112.A NH1 GLN 268.A O no hydrogen 2.896 N/A ARG 112.A NH2 GLN 268.A O no hydrogen 2.767 N/A LEU 113.A N LYS 109.A O no hydrogen 2.913 N/A LEU 114.A N ARG 111.A O no hydrogen 3.037 N/A TRP 115.A N ARG 112.A O no hydrogen 3.261 N/A LYS 118.A N LEU 114.A O no hydrogen 3.185 N/A LYS 118.A NZ GLY 122.A O no hydrogen 3.019 N/A LYS 118.A NZ LEU 125.A O no hydrogen 2.928 N/A GLN 119.A N TRP 115.A O no hydrogen 2.757 N/A LYS 120.A N PRO 116.A O no hydrogen 3.018 N/A LYS 120.A NZ ASP 45.A OD1 no hydrogen 2.812 N/A TYR 121.A N ILE 117.A O no hydrogen 3.000 N/A TYR 121.A OH ASP 45.A OD1 no hydrogen 2.671 N/A GLY 122.A N LYS 118.A O no hydrogen 2.903 N/A LYS 124.A N TYR 121.A O no hydrogen 3.396 N/A LEU 125.A N GLY 122.A O no hydrogen 3.057 N/A SER 126.A N TYR 31.A OH no hydrogen 2.959 N/A SER 126.A OG TYR 31.A OH no hydrogen 3.295 N/A SER 126.A OG ARG 153.A O no hydrogen 2.488 N/A TRP 127.A N ASP 155.A OD1 no hydrogen 2.795 N/A ALA 128.A N ASP 155.A OD2 no hydrogen 2.858 N/A ASP 129.A N SER 126.A OG no hydrogen 3.041 N/A LEU 130.A N SER 126.A O no hydrogen 3.055 N/A ILE 131.A N TRP 127.A O no hydrogen 2.937 N/A ALA 132.A N ALA 128.A O no hydrogen 3.132 N/A TYR 133.A N ASP 129.A O no hydrogen 2.734 N/A TYR 133.A N LEU 130.A O no hydrogen 3.252 N/A ALA 134.A N LEU 130.A O no hydrogen 2.980 N/A GLY 135.A N THR 72.A OG1 no hydrogen 2.859 N/A ILE 137.A N TYR 133.A O no hydrogen 3.130 N/A ALA 138.A N ALA 134.A O no hydrogen 3.017 N/A TYR 139.A N GLY 135.A O no hydrogen 2.952 N/A TYR 139.A OH GLY 240.A O no hydrogen 2.731 N/A GLU 140.A N THR 136.A O no hydrogen 2.982 N/A SER 141.A N ILE 137.A O no hydrogen 2.836 N/A SER 141.A OG ILE 137.A O no hydrogen 3.475 N/A SER 141.A OG ALA 138.A O no hydrogen 2.627 N/A MET 142.A N ALA 138.A O no hydrogen 2.979 N/A MET 142.A N TYR 139.A O no hydrogen 3.103 N/A GLY 143.A N GLU 140.A O no hydrogen 3.038 N/A LEU 144.A N TYR 139.A O no hydrogen 2.979 N/A THR 146.A N GLU 140.A OE1 no hydrogen 2.894 N/A THR 146.A OG1 GLU 140.A OE1 no hydrogen 2.523 N/A PHE 149.A N ASP 404.A O no hydrogen 3.027 N/A PHE 151.A N ILE 401.A O no hydrogen 2.632 N/A GLY 152.A N ASP 129.A OD2 no hydrogen 2.962 N/A ARG 153.A N ASP 129.A OD1 no hydrogen 2.917 N/A ARG 153.A NE ASP 129.A OD1 no hydrogen 2.923 N/A ARG 153.A NH2 ASP 129.A OD1 no hydrogen 3.443 N/A GLU 154.A N GLU 154.A OE2 no hydrogen 2.863 N/A ILE 163.A N GLU 160.A O no hydrogen 3.418 N/A TYR 164.A OH GLU 189.A OE2 no hydrogen 2.877 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.718 N/A PHE 172.A N MET 197.A O no hydrogen 2.845 N/A SER 175.A N ASP 208.A OD1 no hydrogen 2.734 N/A SER 175.A N ASP 208.A OD2 no hydrogen 3.374 N/A SER 175.A OG ASP 208.A OD2 no hydrogen 2.787 N/A SER 180.A OG SER 175.A O no hydrogen 2.848 N/A SER 180.A OG TYR 182.A O no hydrogen 3.499 N/A ARG 181.A NE GLU 168.A OE1 no hydrogen 3.369 N/A ARG 181.A NE GLU 168.A OE2 no hydrogen 2.670 N/A ARG 181.A NH1 ALA 194.A O no hydrogen 3.043 N/A ARG 181.A NH2 TRP 165.A O no hydrogen 3.097 N/A ARG 181.A NH2 GLU 168.A OE1 no hydrogen 2.829 N/A TYR 182.A N SER 180.A OG no hydrogen 2.987 N/A THR 183.A N GLU 187.A O no hydrogen 3.271 N/A ARG 186.A NE ASP 219.A OD1 no hydrogen 3.081 N/A ARG 186.A NH1 SER 175.A OG no hydrogen 3.291 N/A ARG 186.A NH2 ASP 219.A OD2 no hydrogen 3.025 N/A GLU 187.A N THR 183.A O no hydrogen 3.153 N/A GLU 189.A N ARG 181.A O no hydrogen 2.864 N/A VAL 195.A N TYR 201.A O no hydrogen 3.193 N/A THR 196.A OG1 PRO 173.A O no hydrogen 3.129 N/A ILE 200.A N ASP 103.A OD2 no hydrogen 2.834 N/A GLY 206.A N ASN 203.A O no hydrogen 3.295 N/A GLY 209.A N GLY 206.A O no hydrogen 2.782 N/A ASN 210.A N VAL 207.A O no hydrogen 2.930 N/A LEU 214.A N ASP 212.A OD1 no hydrogen 2.451 N/A LYS 215.A N ASP 212.A OD1 no hydrogen 3.364 N/A THR 216.A N ASP 212.A O no hydrogen 3.015 N/A THR 216.A OG1 ASP 212.A O no hydrogen 3.226 N/A THR 216.A OG1 ASP 353.A OD2 no hydrogen 2.426 N/A ALA 217.A N PRO 213.A O no hydrogen 2.989 N/A HIS 218.A N LEU 214.A O no hydrogen 3.403 N/A ASP 219.A N LYS 215.A O no hydrogen 3.418 N/A VAL 220.A N THR 216.A O no hydrogen 2.976 N/A ARG 221.A N ALA 217.A O no hydrogen 2.997 N/A ARG 221.A NH1 ASP 231.A OD2 no hydrogen 3.074 N/A ARG 221.A NH1 ASP 361.A OD1 no hydrogen 3.484 N/A ARG 221.A NH2 ASP 361.A OD1 no hydrogen 2.916 N/A VAL 222.A N HIS 218.A O no hydrogen 3.058 N/A THR 223.A N ASP 219.A O no hydrogen 2.828 N/A THR 223.A OG1 ASP 219.A O no hydrogen 2.866 N/A THR 223.A OG1 VAL 220.A O no hydrogen 3.526 N/A PHE 224.A N VAL 220.A O no hydrogen 3.036 N/A ALA 225.A N ARG 221.A O no hydrogen 3.114 N/A ARG 226.A N VAL 222.A O no hydrogen 3.091 N/A ARG 226.A NH1 LEU 188.A O no hydrogen 3.307 N/A ARG 226.A NH1 GLU 189.A O no hydrogen 3.284 N/A ARG 226.A NH1 LEU 192.A O no hydrogen 2.799 N/A ARG 226.A NH2 LEU 188.A O no hydrogen 3.253 N/A MET 227.A N PHE 224.A O no hydrogen 2.902 N/A ALA 228.A N ALA 225.A O no hydrogen 2.926 N/A MET 229.A N PHE 224.A O no hydrogen 2.894 N/A ASN 230.A N GLU 233.A OE1 no hydrogen 3.039 N/A THR 234.A N ASN 230.A O no hydrogen 2.916 N/A THR 234.A OG1 ASN 230.A O no hydrogen 2.652 N/A VAL 235.A N ASP 231.A O no hydrogen 3.025 N/A ALA 236.A N GLU 232.A O no hydrogen 2.988 N/A LEU 237.A N GLU 233.A O no hydrogen 2.775 N/A THR 238.A N THR 234.A O no hydrogen 2.933 N/A THR 238.A OG1 THR 234.A O no hydrogen 2.743 N/A ALA 239.A N VAL 235.A O no hydrogen 2.965 N/A GLY 240.A N ALA 236.A O no hydrogen 2.790 N/A GLY 241.A N LEU 237.A O no hydrogen 2.712 N/A HIS 242.A N THR 238.A O no hydrogen 3.053 N/A HIS 242.A ND1 ASP 355.A OD2 no hydrogen 2.762 N/A THR 243.A OG1 ALA 239.A O no hydrogen 2.642 N/A GLY 245.A N PRO 297.A O no hydrogen 2.771 N/A LYS 246.A NZ GLU 290.A OE2 no hydrogen 2.842 N/A CYS 247.A N GLY 291.A O no hydrogen 2.803 N/A HIS 248.A NE2 ASP 60.A OD2 no hydrogen 2.676 N/A GLY 249.A N GLU 290.A OE1 no hydrogen 2.898 N/A ASN 250.A N ALA 284.A O no hydrogen 3.303 N/A ASN 250.A ND2 ARG 282.A O no hydrogen 2.900 N/A ALA 254.A N ASN 252.A OD1 no hydrogen 2.780 N/A LEU 256.A N ALA 253.A O no hydrogen 2.506 N/A GLY 257.A N ILE 273.A O no hydrogen 3.062 N/A GLU 261.A N SER 100.A OG no hydrogen 2.986 N/A GLY 262.A N GLU 259.A O no hydrogen 2.906 N/A ALA 263.A N PRO 260.A O no hydrogen 3.133 N/A VAL 265.A N ASP 264.A OD1 no hydrogen 2.963 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.892 N/A ASP 267.A N ASP 264.A O no hydrogen 3.041 N/A GLN 268.A N VAL 265.A O no hydrogen 3.246 N/A LEU 270.A N ASP 267.A O no hydrogen 2.735 N/A GLY 271.A N ASP 108.A OD1 no hydrogen 2.910 N/A TRP 272.A N PRO 258.A O no hydrogen 2.963 N/A LYS 275.A NZ ASP 267.A OD1 no hydrogen 2.955 N/A THR 276.A N ASN 274.A OD1 no hydrogen 2.988 N/A GLN 277.A N ASN 274.A OD1 no hydrogen 2.874 N/A ARG 282.A N GLU 341.A OE2 no hydrogen 2.988 N/A ARG 282.A NE ASP 339.A OD1 no hydrogen 3.136 N/A ARG 282.A NE ASP 339.A OD2 no hydrogen 2.916 N/A ARG 282.A NH2 ASP 339.A OD1 no hydrogen 2.769 N/A ASN 283.A N ILE 280.A O no hydrogen 3.067 N/A ASN 283.A ND2 SER 278.A OG no hydrogen 3.058 N/A ALA 284.A N GLY 281.A O no hydrogen 3.354 N/A THR 286.A N HIS 248.A O no hydrogen 2.789 N/A GLY 288.A N HIS 248.A O no hydrogen 3.108 N/A LEU 289.A N SER 287.A OG no hydrogen 2.990 N/A GLU 290.A N GLN 325.A OE1 no hydrogen 2.856 N/A GLY 291.A N CYS 247.A O no hydrogen 3.245 N/A ALA 292.A N ASN 348.A O no hydrogen 3.113 N/A TRP 293.A NE1 ASP 355.A OD1 no hydrogen 2.944 N/A THR 294.A OG1 THR 243.A O no hydrogen 3.230 N/A GLN 299.A N HIS 296.A O no hydrogen 3.201 N/A TRP 300.A N MET 142.A O no hydrogen 2.897 N/A GLY 303.A N ASP 301.A OD2 no hydrogen 2.827 N/A TYR 304.A OH ASP 355.A OD2 no hydrogen 2.646 N/A ALA 306.A N ASN 302.A O no hydrogen 3.015 N/A CYS 308.A SG TRP 293.A O no hydrogen 3.551 N/A CYS 308.A SG GLY 303.A O no hydrogen 3.472 N/A SER 309.A N TYR 304.A O no hydrogen 2.757 N/A ASN 311.A ND2 TYR 372.A OH no hydrogen 3.047 N/A TYR 312.A OH ASP 335.A OD2 no hydrogen 2.536 N/A GLU 315.A N GLU 327.A O no hydrogen 2.917 N/A LYS 317.A N GLN 325.A O no hydrogen 2.832 N/A LYS 317.A NZ GLU 315.A OE2 no hydrogen 2.540 N/A LYS 318.A NZ GLY 322.A O no hydrogen 2.713 N/A ASN 319.A N ALA 323.A O no hydrogen 2.926 N/A GLY 322.A N ASN 319.A O no hydrogen 2.959 N/A ALA 323.A N ASN 319.A OD1 no hydrogen 2.298 N/A TRP 324.A N GLU 205.A OE1 no hydrogen 2.915 N/A GLN 325.A N LYS 317.A O no hydrogen 3.068 N/A GLN 325.A NE2 GLU 290.A O no hydrogen 3.213 N/A GLN 325.A NE2 GLU 327.A OE2 no hydrogen 2.618 N/A TRP 326.A N MET 351.A O no hydrogen 2.949 N/A TRP 326.A NE1 ASP 353.A OD1 no hydrogen 2.934 N/A GLU 327.A N GLU 315.A O no hydrogen 2.994 N/A ILE 329.A N ASP 313.A O no hydrogen 2.803 N/A ARG 332.A N TYR 312.A OH no hydrogen 3.054 N/A ASP 335.A N ARG 332.A O no hydrogen 3.082 N/A LEU 336.A N GLU 333.A O no hydrogen 2.874 N/A ASP 339.A N ILE 345.A O no hydrogen 2.907 N/A GLU 341.A N ASP 339.A OD1 no hydrogen 3.053 N/A ASP 342.A N ASP 339.A OD1 no hydrogen 2.993 N/A SER 344.A N ASP 342.A OD2 no hydrogen 3.082 N/A SER 344.A OG ASP 342.A OD1 no hydrogen 3.336 N/A SER 344.A OG ASP 342.A OD2 no hydrogen 2.784 N/A ILE 345.A N ASP 342.A O no hydrogen 3.178 N/A ARG 347.A N PRO 337.A O no hydrogen 2.842 N/A ARG 347.A NE ASP 339.A OD2 no hydrogen 2.853 N/A ARG 347.A NH2 ASP 339.A OD2 no hydrogen 3.061 N/A ASN 348.A ND2 GLU 290.A O no hydrogen 2.956 N/A ASN 348.A ND2 LEU 349.A O no hydrogen 2.752 N/A VAL 350.A N ALA 292.A O no hydrogen 3.045 N/A MET 351.A N TRP 326.A O no hydrogen 2.987 N/A THR 352.A N ASP 355.A OD1 no hydrogen 2.789 N/A THR 352.A OG1 ASP 355.A OD1 no hydrogen 2.756 N/A ASP 353.A N PRO 204.A O no hydrogen 2.941 N/A ALA 354.A N THR 352.A OG1 no hydrogen 2.969 N/A ASP 355.A N THR 352.A O no hydrogen 3.006 N/A ASP 355.A N THR 352.A OG1 no hydrogen 3.222 N/A MET 356.A N THR 352.A O no hydrogen 2.992 N/A ALA 357.A N ASP 353.A O no hydrogen 3.094 N/A MET 358.A N ASP 355.A O no hydrogen 2.964 N/A LYS 359.A N MET 356.A O no hydrogen 3.012 N/A LYS 359.A NZ SER 309.A O no hydrogen 2.523 N/A LYS 359.A NZ LEU 310.A O no hydrogen 3.068 N/A LYS 359.A NZ TYR 312.A O no hydrogen 2.959 N/A MET 360.A N MET 356.A O no hydrogen 2.846 N/A ASP 361.A N ALA 357.A O no hydrogen 2.883 N/A TYR 364.A N ASP 361.A OD1 no hydrogen 2.985 N/A ARG 365.A N ASP 361.A O no hydrogen 2.812 N/A ARG 365.A NH1 LYS 359.A O no hydrogen 2.286 N/A LYS 366.A NZ GLU 363.A OE2 no hydrogen 3.254 N/A SER 368.A N TYR 364.A O no hydrogen 2.783 N/A SER 368.A OG MET 358.A O no hydrogen 2.836 N/A SER 368.A OG TYR 364.A O no hydrogen 3.220 N/A GLU 369.A N ARG 365.A O no hydrogen 3.038 N/A ARG 370.A N LYS 366.A O no hydrogen 3.192 N/A ARG 370.A NE ASP 374.A OD2 no hydrogen 3.004 N/A ARG 370.A NH2 ASP 374.A OD2 no hydrogen 3.220 N/A PHE 371.A N ILE 367.A O no hydrogen 3.049 N/A TYR 372.A N SER 368.A O no hydrogen 2.977 N/A TYR 372.A N GLU 369.A O no hydrogen 3.180 N/A GLN 373.A N GLU 369.A O no hydrogen 3.059 N/A TYR 377.A N ASP 374.A O no hydrogen 3.102 N/A TYR 377.A N ASP 374.A OD1 no hydrogen 3.295 N/A TYR 377.A OH GLU 232.A OE1 no hydrogen 2.713 N/A PHE 378.A N ASP 374.A O no hydrogen 3.230 N/A ALA 379.A N PRO 375.A O no hydrogen 2.950 N/A ASP 380.A N ALA 376.A O no hydrogen 3.172 N/A VAL 381.A N TYR 377.A O no hydrogen 2.796 N/A PHE 382.A N PHE 378.A O no hydrogen 2.781 N/A ALA 383.A N ALA 379.A O no hydrogen 3.017 N/A ARG 384.A N ASP 380.A O no hydrogen 3.073 N/A ARG 384.A NE ASP 380.A OD1 no hydrogen 3.288 N/A ARG 384.A NH1 GLU 408.A OE1 no hydrogen 3.423 N/A ARG 384.A NH1 GLU 408.A OE2 no hydrogen 3.455 N/A ARG 384.A NH2 GLU 408.A OE2 no hydrogen 3.115 N/A ALA 385.A N VAL 381.A O no hydrogen 2.988 N/A TRP 386.A N PHE 382.A O no hydrogen 2.695 N/A TRP 386.A NE1 THR 136.A OG1 no hydrogen 2.942 N/A PHE 387.A N ALA 383.A O no hydrogen 3.077 N/A LYS 388.A N ARG 384.A O no hydrogen 2.878 N/A LYS 388.A NZ ALA 228.A O no hydrogen 2.690 N/A LYS 388.A NZ GLU 233.A OE1 no hydrogen 3.264 N/A LYS 388.A NZ GLU 233.A OE2 no hydrogen 3.054 N/A LEU 389.A N ALA 385.A O no hydrogen 2.883 N/A THR 390.A N TRP 386.A O no hydrogen 3.186 N/A THR 390.A OG1 TRP 386.A O no hydrogen 3.095 N/A THR 390.A OG1 PHE 387.A O no hydrogen 3.194 N/A HIS 391.A N LYS 388.A O no hydrogen 3.106 N/A ARG 392.A NH2 ALA 76.A O no hydrogen 2.924 N/A ARG 392.A NH2 TYR 201.A OH no hydrogen 3.046 N/A MET 394.A N HIS 391.A O no hydrogen 2.964 N/A LYS 397.A NZ PRO 406.A O no hydrogen 2.749 N/A LYS 397.A NZ GLU 408.A O no hydrogen 3.160 N/A LYS 397.A NZ ASP 409.A OD1 no hydrogen 3.451 N/A ARG 399.A N PRO 396.A O no hydrogen 2.839 N/A ARG 399.A NH1 MET 394.A O no hydrogen 2.702 N/A TYR 400.A N LYS 397.A O no hydrogen 2.756 N/A ILE 401.A N PHE 151.A O no hydrogen 3.064 N/A GLN 413.A N LEU 410.A O no hydrogen 2.890 N/A ASP 414.A N ILE 411.A O no hydrogen 3.127 N/A GLY 419.A N GLY 531.A O no hydrogen 2.894 N/A TYR 423.A OH ASP 503.A OD2 no hydrogen 2.890 N/A GLN 426.A NE2 GLN 426.A O no hydrogen 3.173 N/A GLN 426.A NE2 ASP 430.A OD1 no hydrogen 2.660 N/A ALA 427.A N ASP 424.A OD1 no hydrogen 2.874 N/A VAL 428.A N ASP 424.A O no hydrogen 3.471 N/A LYS 429.A N VAL 425.A O no hydrogen 2.927 N/A LYS 429.A NZ GLU 514.A OE1 no hydrogen 3.088 N/A LYS 429.A NZ GLU 514.A OE2 no hydrogen 2.997 N/A ASP 430.A N GLN 426.A O no hydrogen 2.970 N/A ARG 431.A N ALA 427.A O no hydrogen 3.095 N/A ILE 432.A N VAL 428.A O no hydrogen 3.068 N/A ALA 433.A N LYS 429.A O no hydrogen 2.743 N/A ALA 434.A N ASP 430.A O no hydrogen 2.710 N/A SER 435.A N ILE 432.A O no hydrogen 3.034 N/A SER 435.A OG ILE 432.A O no hydrogen 2.677 N/A SER 438.A N GLU 441.A OE2 no hydrogen 2.913 N/A SER 440.A OG GLY 596.A O no hydrogen 3.171 N/A GLU 441.A N SER 438.A OG no hydrogen 3.137 N/A LEU 442.A N SER 438.A O no hydrogen 2.913 N/A VAL 443.A N ILE 439.A O no hydrogen 3.127 N/A SER 444.A N SER 440.A O no hydrogen 3.061 N/A SER 444.A OG SER 440.A O no hydrogen 3.070 N/A THR 445.A N GLU 441.A O no hydrogen 3.413 N/A THR 445.A OG1 GLU 441.A O no hydrogen 2.676 N/A ALA 446.A N LEU 442.A O no hydrogen 3.211 N/A TRP 447.A N VAL 443.A O no hydrogen 2.844 N/A TRP 447.A NE1 ASP 553.A OD2 no hydrogen 2.719 N/A ASP 448.A N SER 444.A O no hydrogen 2.881 N/A SER 449.A N THR 445.A O no hydrogen 3.083 N/A ALA 450.A N ALA 446.A O no hydrogen 3.110 N/A ARG 451.A N TRP 447.A O no hydrogen 2.768 N/A ARG 451.A NH1 ASP 553.A OD2 no hydrogen 2.689 N/A ARG 451.A NH2 GLY 477.A O no hydrogen 3.010 N/A ARG 451.A NH2 ASN 478.A OD1 no hydrogen 3.075 N/A TYR 453.A N ALA 450.A O no hydrogen 3.189 N/A ARG 454.A N ARG 459.A O no hydrogen 3.067 N/A ARG 454.A NE ASP 457.A OD1 no hydrogen 3.323 N/A ARG 454.A NE ASP 457.A OD2 no hydrogen 2.839 N/A ARG 454.A NH1 ILE 81.A O no hydrogen 3.157 N/A ARG 454.A NH2 ILE 81.A O no hydrogen 2.953 N/A ARG 454.A NH2 ASP 457.A OD1 no hydrogen 2.707 N/A ASN 455.A N LEU 577.A O no hydrogen 2.755 N/A ASN 455.A ND2 TYR 453.A OH no hydrogen 2.698 N/A SER 456.A OG ASP 83.A O no hydrogen 2.523 N/A LYS 458.A NZ ASN 455.A O no hydrogen 2.921 N/A ARG 459.A N ASP 457.A OD2 no hydrogen 3.391 N/A ARG 459.A NE ASP 414.A OD1 no hydrogen 3.495 N/A ARG 459.A NH1 SER 544.A O no hydrogen 2.912 N/A ARG 459.A NH2 SER 544.A O no hydrogen 3.248 N/A GLY 461.A N THR 452.A OG1 no hydrogen 2.777 N/A ASN 463.A N ASP 695.A OD1 no hydrogen 2.774 N/A ALA 465.A N ALA 462.A O no hydrogen 3.020 N/A ARG 466.A NE THR 540.A OG1 no hydrogen 2.964 N/A ARG 466.A NH1 ASP 414.A O no hydrogen 2.990 N/A ARG 466.A NH2 PRO 415.A O no hydrogen 2.838 N/A ARG 466.A NH2 GLN 539.A O no hydrogen 3.064 N/A ARG 468.A N ALA 465.A O no hydrogen 3.340 N/A ARG 468.A NH1 ALA 465.A O no hydrogen 3.042 N/A ARG 468.A NH1 ALA 535.A O no hydrogen 3.012 N/A ARG 468.A NH2 ALA 535.A O no hydrogen 3.090 N/A LEU 469.A N ARG 466.A O no hydrogen 2.160 N/A LYS 473.A N LEU 469.A O no hydrogen 2.877 N/A ASP 474.A N PRO 471.A O no hydrogen 3.075 N/A TRP 475.A N GLN 472.A O no hydrogen 2.891 N/A ASN 478.A N TRP 475.A O no hydrogen 2.949 N/A ASN 478.A ND2 GLN 472.A O no hydrogen 3.083 N/A GLU 479.A N GLU 476.A O no hydrogen 2.872 N/A LEU 483.A N GLU 479.A O no hydrogen 2.840 N/A LYS 485.A N ASP 481.A O no hydrogen 3.243 N/A LYS 485.A NZ GLU 441.A OE1 no hydrogen 3.157 N/A LYS 485.A NZ GLU 441.A OE2 no hydrogen 3.329 N/A VAL 486.A N ARG 482.A O no hydrogen 3.148 N/A LEU 487.A N LEU 483.A O no hydrogen 2.808 N/A ALA 488.A N PRO 484.A O no hydrogen 2.828 N/A LEU 490.A N VAL 486.A O no hydrogen 2.925 N/A GLU 491.A N LEU 487.A O no hydrogen 2.450 N/A GLY 492.A N ALA 488.A O no hydrogen 3.218 N/A ILE 493.A N VAL 489.A O no hydrogen 3.042 N/A SER 494.A N LEU 490.A O no hydrogen 3.107 N/A SER 494.A OG LEU 490.A O no hydrogen 2.837 N/A SER 494.A OG GLU 491.A O no hydrogen 2.675 N/A ALA 495.A N GLU 491.A O no hydrogen 3.139 N/A ALA 496.A N GLY 492.A O no hydrogen 2.997 N/A THR 497.A N ILE 493.A O no hydrogen 2.916 N/A THR 497.A N SER 494.A O no hydrogen 3.209 N/A THR 497.A OG1 ILE 493.A O no hydrogen 2.515 N/A THR 497.A OG1 SER 494.A O no hydrogen 3.406 N/A THR 500.A OG1 ARG 532.A O no hydrogen 2.803 N/A VAL 501.A N ASP 534.A OD2 no hydrogen 2.950 N/A ALA 502.A N ASP 534.A OD1 no hydrogen 2.945 N/A ASP 503.A N THR 500.A OG1 no hydrogen 2.813 N/A VAL 504.A N THR 500.A O no hydrogen 2.910 N/A ILE 505.A N VAL 501.A O no hydrogen 2.878 N/A VAL 506.A N ALA 502.A O no hydrogen 3.292 N/A LEU 507.A N ASP 503.A O no hydrogen 2.918 N/A ALA 508.A N VAL 504.A O no hydrogen 2.824 N/A GLY 509.A N ILE 505.A O no hydrogen 3.158 N/A ASN 510.A N VAL 506.A O no hydrogen 2.926 N/A ASN 510.A ND2 PRO 527.A O no hydrogen 3.302 N/A VAL 511.A N LEU 507.A O no hydrogen 2.922 N/A GLY 512.A N ALA 508.A O no hydrogen 2.900 N/A VAL 513.A N GLY 509.A O no hydrogen 2.920 N/A GLU 514.A N ASN 510.A O no hydrogen 2.882 N/A GLN 515.A N VAL 511.A O no hydrogen 2.713 N/A LYS 516.A N GLY 512.A O no hydrogen 3.025 N/A LYS 516.A NZ LEU 595.A O no hydrogen 3.110 N/A ALA 517.A N VAL 513.A O no hydrogen 2.920 N/A ARG 518.A N GLU 514.A O no hydrogen 2.977 N/A ARG 518.A NE GLU 523.A OE1 no hydrogen 3.406 N/A ARG 518.A NE GLU 523.A OE2 no hydrogen 3.561 N/A ALA 519.A N GLN 515.A O no hydrogen 3.078 N/A ALA 520.A N ALA 517.A O no hydrogen 3.100 N/A GLY 521.A N ARG 518.A O no hydrogen 2.832 N/A VAL 522.A N ALA 517.A O no hydrogen 2.751 N/A LEU 526.A N GLU 514.A OE1 no hydrogen 2.919 N/A GLY 531.A N ASP 503.A OD2 no hydrogen 2.730 N/A ARG 532.A N ASP 503.A OD1 no hydrogen 2.987 N/A ARG 532.A NH1 ASP 503.A OD1 no hydrogen 3.005 N/A ARG 532.A NH1 ALA 529.A O no hydrogen 2.700 N/A ARG 532.A NH2 MET 692.A O no hydrogen 3.242 N/A GLY 533.A N ASN 463.A OD1 no hydrogen 2.985 N/A ALA 535.A N GLY 464.A O no hydrogen 2.749 N/A GLN 539.A N THR 536.A O no hydrogen 3.104 N/A GLN 539.A N THR 536.A OG1 no hydrogen 3.067 N/A THR 540.A N ALA 537.A O no hydrogen 3.291 N/A THR 540.A OG1 THR 536.A O no hydrogen 2.756 N/A GLU 543.A N ASP 541.A OD1 no hydrogen 2.998 N/A SER 544.A N ASP 541.A OD1 no hydrogen 3.236 N/A SER 544.A OG ASP 541.A O no hydrogen 3.187 N/A PHE 545.A N ASP 541.A O no hydrogen 3.112 N/A ALA 546.A N GLU 543.A O no hydrogen 3.416 N/A LEU 548.A N PHE 545.A O no hydrogen 2.941 N/A GLU 549.A N ALA 546.A O no hydrogen 3.174 N/A ILE 551.A N GLU 549.A O no hydrogen 2.928 N/A ASP 553.A N GLY 558.A O no hydrogen 2.897 N/A ILE 555.A N ASP 553.A OD1 no hydrogen 3.160 N/A ALA 556.A N ASP 553.A O no hydrogen 3.086 N/A THR 557.A N ALA 554.A O no hydrogen 2.874 N/A GLY 558.A N ASP 553.A O no hydrogen 2.920 N/A SER 560.A N ILE 551.A O no hydrogen 2.910 N/A CYS 570.A N ARG 566.A O no hydrogen 2.920 N/A CYS 570.A SG HIS 552.A ND1 no hydrogen 3.880 N/A CYS 570.A SG ARG 566.A O no hydrogen 3.535 N/A CYS 571.A N LEU 567.A O no hydrogen 2.830 N/A LEU 572.A N LYS 568.A O no hydrogen 2.807 N/A ILE 573.A N ASN 569.A O no hydrogen 2.979 N/A ALA 574.A N CYS 570.A O no hydrogen 3.007 N/A THR 575.A N CYS 571.A O no hydrogen 2.982 N/A GLN 576.A N LEU 572.A O no hydrogen 3.039 N/A LEU 577.A N ILE 573.A O no hydrogen 3.115 N/A LEU 578.A N ALA 574.A O no hydrogen 2.875 N/A GLY 579.A N GLN 576.A O no hydrogen 3.122 N/A LEU 580.A N THR 575.A O no hydrogen 3.031 N/A THR 581.A N GLU 584.A OE2 no hydrogen 3.015 N/A GLU 584.A N THR 581.A OG1 no hydrogen 3.134 N/A MET 585.A N THR 581.A O no hydrogen 2.829 N/A THR 586.A N ALA 582.A O no hydrogen 2.910 N/A THR 586.A OG1 ALA 582.A O no hydrogen 2.644 N/A VAL 587.A N PRO 583.A O no hydrogen 3.130 N/A LEU 588.A N GLU 584.A O no hydrogen 3.062 N/A ILE 589.A N MET 585.A O no hydrogen 3.026 N/A GLY 590.A N THR 586.A O no hydrogen 3.097 N/A GLY 591.A N VAL 587.A O no hydrogen 2.796 N/A LEU 592.A N LEU 588.A O no hydrogen 2.917 N/A ARG 593.A N ILE 589.A O no hydrogen 3.136 N/A ARG 593.A NE ASP 655.A OD1 no hydrogen 2.524 N/A ARG 593.A NH1 ALA 554.A O no hydrogen 3.487 N/A ARG 593.A NH1 ILE 555.A O no hydrogen 3.215 N/A ARG 593.A NH2 ALA 554.A O no hydrogen 2.944 N/A ARG 593.A NH2 ASP 655.A OD1 no hydrogen 2.851 N/A LEU 595.A N GLY 591.A O no hydrogen 3.066 N/A GLY 596.A N ARG 593.A O no hydrogen 3.164 N/A THR 597.A OG1 LEU 592.A O no hydrogen 2.765 N/A HIS 599.A N ALA 556.A O no hydrogen 3.028 N/A HIS 599.A NE2 GLU 476.A O no hydrogen 3.217 N/A GLY 600.A N GLU 479.A OE2 no hydrogen 2.728 N/A GLY 601.A N ASN 598.A O no hydrogen 3.184 N/A LYS 603.A NZ GLU 611.A OE1 no hydrogen 3.354 N/A LYS 603.A NZ GLU 611.A OE2 no hydrogen 2.841 N/A VAL 606.A N LYS 603.A O no hydrogen 2.946 N/A THR 608.A OG1 VAL 606.A O no hydrogen 3.245 N/A ARG 610.A NE ASP 617.A OD2 no hydrogen 3.135 N/A ARG 610.A NH2 ASP 617.A OD1 no hydrogen 3.143 N/A ARG 610.A NH2 ASP 617.A OD2 no hydrogen 3.395 N/A GLY 612.A N VAL 594.A O no hydrogen 2.869 N/A LEU 614.A N LYS 516.A O no hydrogen 3.172 N/A ASN 616.A ND2 TYR 671.A O no hydrogen 2.884 N/A ASP 617.A N THR 615.A OG1 no hydrogen 3.261 N/A VAL 620.A N ASN 616.A O no hydrogen 3.119 N/A ASN 621.A N ASP 617.A O no hydrogen 3.027 N/A ASN 621.A ND2 PHE 607.A O no hydrogen 2.901 N/A ASN 621.A ND2 ASP 617.A O no hydrogen 3.190 N/A LEU 622.A N PHE 618.A O no hydrogen 2.882 N/A THR 623.A N PHE 619.A O no hydrogen 3.078 N/A ASP 624.A N ASN 621.A O no hydrogen 3.253 N/A ASN 626.A N ASP 624.A OD1 no hydrogen 2.934 N/A TYR 627.A N ASP 624.A O no hydrogen 3.346 N/A LEU 628.A N CYS 640.A O no hydrogen 2.826 N/A LYS 630.A N GLU 638.A O no hydrogen 2.975 N/A ALA 632.A N LEU 636.A O no hydrogen 2.753 N/A TYR 637.A N ALA 651.A O no hydrogen 2.646 N/A GLU 638.A N LYS 630.A O no hydrogen 2.883 N/A ILE 639.A N TRP 649.A O no hydrogen 2.785 N/A CYS 640.A N LEU 628.A O no hydrogen 2.900 N/A CYS 640.A SG GLU 638.A O no hydrogen 3.802 N/A ASP 641.A N GLN 646.A O no hydrogen 2.995 N/A ARG 642.A N ASN 626.A O no hydrogen 2.920 N/A ARG 642.A NE MET 625.A O no hydrogen 2.705 N/A ARG 642.A NE TYR 627.A O no hydrogen 3.191 N/A LYS 643.A N ASP 641.A OD1 no hydrogen 2.887 N/A LYS 643.A NZ ASN 626.A OD1 no hydrogen 3.080 N/A THR 644.A N ASP 641.A OD1 no hydrogen 3.014 N/A ASN 645.A N ASP 641.A O no hydrogen 2.800 N/A LYS 648.A N ILE 639.A O no hydrogen 2.860 N/A TRP 649.A N ILE 639.A O no hydrogen 3.355 N/A THR 650.A OG1 HIS 604.A ND1 no hydrogen 2.984 N/A ALA 651.A N TYR 637.A O no hydrogen 3.005 N/A THR 652.A N ASP 655.A OD2 no hydrogen 2.901 N/A THR 652.A OG1 THR 557.A OG1 no hydrogen 3.107 N/A THR 652.A OG1 ASP 655.A OD2 no hydrogen 3.098 N/A VAL 654.A N THR 652.A OG1 no hydrogen 3.167 N/A LEU 656.A N THR 652.A O no hydrogen 3.001 N/A VAL 657.A N ARG 653.A O no hydrogen 2.881 N/A PHE 658.A N ASP 655.A O no hydrogen 3.406 N/A GLY 659.A N LEU 656.A O no hydrogen 2.889 N/A SER 660.A N VAL 657.A O no hydrogen 3.113 N/A ASN 661.A N VAL 657.A O no hydrogen 2.895 N/A ILE 663.A N ASN 661.A OD1 no hydrogen 2.960 N/A LEU 664.A N ASN 661.A OD1 no hydrogen 3.014 N/A ARG 665.A N ASN 661.A O no hydrogen 2.760 N/A ARG 665.A NE GLU 669.A OE2 no hydrogen 3.429 N/A ARG 665.A NH1 GLY 659.A O no hydrogen 2.885 N/A ALA 666.A N SER 662.A O no hydrogen 3.234 N/A TYR 667.A N ILE 663.A O no hydrogen 3.241 N/A SER 668.A N LEU 664.A O no hydrogen 2.835 N/A SER 668.A OG PHE 658.A O no hydrogen 2.732 N/A SER 668.A OG LEU 664.A O no hydrogen 3.247 N/A GLU 669.A N ARG 665.A O no hydrogen 2.730 N/A LEU 670.A N ALA 666.A O no hydrogen 3.138 N/A TYR 671.A N TYR 667.A O no hydrogen 3.117 N/A TYR 671.A OH ASP 683.A OD1 no hydrogen 2.768 N/A ALA 672.A N GLU 669.A O no hydrogen 2.980 N/A GLN 673.A N LEU 670.A O no hydrogen 3.190 N/A ASN 676.A N GLN 673.A O no hydrogen 3.226 N/A ASN 676.A ND2 LEU 670.A O no hydrogen 2.924 N/A LYS 679.A NZ ASP 683.A OD1 no hydrogen 2.831 N/A PHE 680.A N ASN 676.A O no hydrogen 2.818 N/A VAL 681.A N LYS 677.A O no hydrogen 3.218 N/A ARG 682.A N GLU 678.A O no hydrogen 2.824 N/A ASP 683.A N LYS 679.A O no hydrogen 2.810 N/A PHE 684.A N PHE 680.A O no hydrogen 2.789 N/A VAL 685.A N VAL 681.A O no hydrogen 2.971 N/A ALA 686.A N ARG 682.A O no hydrogen 3.105 N/A ALA 687.A N ASP 683.A O no hydrogen 3.124 N/A TRP 688.A N PHE 684.A O no hydrogen 2.809 N/A TRP 688.A NE1 ASN 510.A OD1 no hydrogen 3.197 N/A THR 689.A N VAL 685.A O no hydrogen 2.813 N/A THR 689.A OG1 VAL 685.A O no hydrogen 2.921 N/A LYS 690.A N ALA 686.A O no hydrogen 2.972 N/A LYS 690.A NZ GLY 579.A O no hydrogen 2.887 N/A LYS 690.A NZ GLU 584.A OE1 no hydrogen 3.216 N/A LYS 690.A NZ GLU 584.A OE2 no hydrogen 2.593 N/A VAL 691.A N ALA 687.A O no hydrogen 3.066 N/A MET 692.A N TRP 688.A O no hydrogen 2.999 N/A ASN 693.A N THR 689.A O no hydrogen 2.948 N/A ASN 693.A ND2 THR 689.A O no hydrogen 3.028 N/A ALA 694.A N VAL 691.A O no hydrogen 3.469 N/A ARG 696.A N ASN 693.A O no hydrogen 3.247 N/A ARG 696.A NE ASP 698.A OD2 no hydrogen 2.849 N/A ARG 696.A NH1 ALA 529.A O no hydrogen 2.875 N/A ARG 696.A NH2 PRO 530.A O no hydrogen 3.245 N/A ARG 696.A NH2 ASP 698.A OD1 no hydrogen 2.852 N/A ARG 696.A NH2 ASP 698.A OD2 no hydrogen 3.536 N/A PHE 697.A N ASP 695.A O no hydrogen 2.804 N/A LEU 699.A N ARG 696.A O no hydrogen 3.308 N/A