Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 616.A O no hydrogen 3.050 N/A THR 3.A OG1 ALA 4.A O no hydrogen 3.129 N/A LEU 5.A N THR 614.A O no hydrogen 3.081 N/A SER 8.A N VAL 607.A O no hydrogen 2.768 N/A ASP 10.A N TYR 551.A OH no hydrogen 2.701 N/A TRP 12.A NE1 THR 15.A O no hydrogen 2.818 N/A THR 15.A OG1 ASP 13.A OD1 no hydrogen 2.656 N/A LYS 16.A NZ VAL 55.A O no hydrogen 3.021 N/A LYS 16.A NZ ARG 99.A O no hydrogen 3.231 N/A LYS 16.A NZ GLY 100.A O no hydrogen 3.199 N/A ARG 17.A NH1 ASP 13.A OD2 no hydrogen 3.111 N/A ARG 17.A NH1 ASN 549.A O no hydrogen 3.104 N/A ARG 17.A NH2 ASP 13.A OD1 no hydrogen 3.495 N/A ARG 17.A NH2 ASP 13.A OD2 no hydrogen 2.645 N/A SER 21.A N PRO 478.A O no hydrogen 2.923 N/A TYR 22.A N ALA 57.A O no hydrogen 2.951 N/A TYR 22.A OH GLU 485.A OE1 no hydrogen 2.911 N/A TYR 22.A OH GLU 485.A OE2 no hydrogen 3.423 N/A GLN 23.A N ILE 480.A O no hydrogen 2.689 N/A LEU 24.A N TRP 59.A O no hydrogen 3.137 N/A LEU 26.A N SER 61.A OG no hydrogen 2.792 N/A SER 28.A N LEU 25.A O no hydrogen 2.885 N/A SER 28.A OG TYR 482.A OH no hydrogen 3.138 N/A ASP 31.A N TYR 508.A O no hydrogen 2.643 N/A SER 32.A N ASP 39.A OD1 no hydrogen 3.189 N/A SER 32.A N ASP 39.A OD2 no hydrogen 3.267 N/A SER 32.A OG ASP 39.A OD1 no hydrogen 3.501 N/A SER 32.A OG ASP 39.A OD2 no hydrogen 2.997 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 3.370 N/A GLY 36.A N ASP 31.A OD2 no hydrogen 2.858 N/A TYR 37.A N ASP 35.A OD1 no hydrogen 2.966 N/A GLY 38.A N TYR 27.A O no hydrogen 2.971 N/A ASP 39.A N ALA 30.A O no hydrogen 2.982 N/A LEU 40.A N LEU 83.A O no hydrogen 2.907 N/A ASN 41.A ND2 ASP 88.A OD1 no hydrogen 3.212 N/A GLY 42.A N ASP 39.A OD2 no hydrogen 2.868 N/A VAL 43.A N ASP 39.A O no hydrogen 3.208 N/A THR 44.A N LEU 40.A O no hydrogen 2.875 N/A THR 44.A OG1 LEU 40.A O no hydrogen 3.332 N/A GLN 45.A N ASN 41.A O no hydrogen 2.691 N/A LYS 46.A N VAL 43.A O no hydrogen 2.602 N/A LYS 46.A NZ ASP 506.A OD2 no hydrogen 2.992 N/A TYR 49.A OH GLU 485.A OE1 no hydrogen 2.757 N/A LEU 50.A N LYS 46.A O no hydrogen 3.162 N/A ASN 51.A N LEU 47.A O no hydrogen 2.972 N/A GLN 52.A N ASP 48.A O no hydrogen 3.257 N/A GLN 52.A N TYR 49.A O no hydrogen 3.177 N/A LEU 53.A N LEU 50.A O no hydrogen 3.233 N/A GLY 54.A N ASN 51.A O no hydrogen 3.004 N/A LYS 56.A N ILE 20.A O no hydrogen 2.646 N/A LYS 56.A NZ LYS 16.A O no hydrogen 3.381 N/A LYS 56.A NZ ASP 19.A OD1 no hydrogen 3.218 N/A LEU 58.A N LYS 102.A O no hydrogen 2.926 N/A TRP 59.A N TYR 22.A O no hydrogen 2.920 N/A TRP 59.A NE1 ASP 106.A OD2 no hydrogen 3.097 N/A LEU 60.A N TYR 104.A O no hydrogen 3.031 N/A CYS 66.A SG HIS 64.A O no hydrogen 3.553 N/A CYS 66.A SG SER 67.A O no hydrogen 3.192 N/A SER 67.A N ASP 72.A OD1 no hydrogen 3.212 N/A SER 67.A OG ASP 72.A OD1 no hydrogen 2.652 N/A GLY 70.A N SER 67.A O no hydrogen 3.106 N/A TYR 71.A N HIS 69.A ND1 no hydrogen 3.025 N/A TYR 71.A OH ASP 106.A OD2 no hydrogen 2.509 N/A TYR 71.A OH HIS 448.A NE2 no hydrogen 3.234 N/A THR 74.A N PRO 65.A O no hydrogen 2.866 N/A TYR 76.A OH VAL 108.A O no hydrogen 2.760 N/A THR 77.A N ASP 75.A OD1 no hydrogen 2.797 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.920 N/A LYS 78.A N ASP 75.A O no hydrogen 3.524 N/A VAL 79.A N GLU 86.A OE2 no hydrogen 2.946 N/A ASN 80.A N ILE 63.A O no hydrogen 2.638 N/A GLN 82.A N ASN 80.A OD1 no hydrogen 3.164 N/A LEU 83.A N ASN 80.A O no hydrogen 2.882 N/A THR 85.A N ASP 88.A OD2 no hydrogen 2.880 N/A ASP 88.A N THR 85.A OG1 no hydrogen 2.927 N/A PHE 89.A N THR 85.A O no hydrogen 3.299 N/A ASP 90.A N GLU 86.A O no hydrogen 3.231 N/A ARG 91.A N SER 87.A O no hydrogen 2.925 N/A LEU 92.A N ASP 88.A O no hydrogen 3.210 N/A VAL 93.A N PHE 89.A O no hydrogen 3.040 N/A THR 94.A N ASP 90.A O no hydrogen 3.084 N/A THR 94.A OG1 ASP 90.A O no hydrogen 3.063 N/A GLU 95.A N ARG 91.A O no hydrogen 2.815 N/A ALA 96.A N LEU 92.A O no hydrogen 2.829 N/A HIS 97.A N VAL 93.A O no hydrogen 2.904 N/A HIS 97.A NE2 ASP 337.A OD2 no hydrogen 3.043 N/A ASN 98.A N THR 94.A O no hydrogen 3.001 N/A ARG 99.A N GLU 95.A O no hydrogen 3.143 N/A ARG 99.A N ALA 96.A O no hydrogen 2.972 N/A ARG 99.A NE ASP 48.A OD1 no hydrogen 2.654 N/A ARG 99.A NH1 GLU 95.A O no hydrogen 3.228 N/A ARG 99.A NH1 GLU 95.A OE1 no hydrogen 3.407 N/A GLY 100.A N HIS 97.A O no hydrogen 3.211 N/A ILE 101.A N ALA 96.A O no hydrogen 2.825 N/A LYS 102.A N LYS 56.A O no hydrogen 2.859 N/A ILE 103.A N ASP 337.A OD2 no hydrogen 2.701 N/A TYR 104.A N LEU 58.A O no hydrogen 2.697 N/A LEU 105.A N GLY 338.A O no hydrogen 3.035 N/A TYR 107.A N ARG 340.A O no hydrogen 2.766 N/A TYR 107.A OH ILE 324.A O no hydrogen 2.752 N/A ASN 109.A ND2 ASP 306.A OD2 no hydrogen 3.288 N/A THR 111.A N ALA 305.A O no hydrogen 3.260 N/A THR 111.A OG1 GLY 112.A O no hydrogen 2.858 N/A THR 111.A OG1 TYR 133.A OH no hydrogen 2.772 N/A GLY 112.A N VAL 73.A O no hydrogen 2.860 N/A THR 113.A N TRP 303.A O no hydrogen 2.694 N/A THR 113.A OG1 ASP 302.A O no hydrogen 2.743 N/A THR 113.A OG1 TRP 303.A O no hydrogen 3.142 N/A HIS 115.A N GLY 112.A O no hydrogen 3.200 N/A TRP 117.A N HIS 115.A ND1 no hydrogen 2.920 N/A THR 119.A N HIS 115.A O no hydrogen 3.092 N/A THR 119.A OG1 HIS 115.A O no hydrogen 3.152 N/A GLU 120.A N PRO 116.A O no hydrogen 2.846 N/A ALA 121.A N TRP 117.A O no hydrogen 2.808 N/A SER 122.A N PHE 118.A O no hydrogen 2.832 N/A SER 122.A OG PHE 118.A O no hydrogen 2.580 N/A SER 123.A N GLU 120.A O no hydrogen 3.008 N/A SER 123.A OG GLU 120.A O no hydrogen 2.472 N/A GLU 126.A N SER 124.A OG no hydrogen 2.733 N/A SER 127.A N SER 124.A O no hydrogen 3.181 N/A TYR 129.A N SER 127.A OG no hydrogen 3.098 N/A ARG 130.A N SER 127.A O no hydrogen 3.131 N/A ARG 130.A NH1 ALA 121.A O no hydrogen 2.764 N/A TYR 132.A N TYR 129.A O no hydrogen 2.778 N/A TYR 133.A N ARG 130.A O no hydrogen 3.451 N/A TYR 133.A OH THR 111.A OG1 no hydrogen 2.772 N/A SER 136.A N TYR 294.A O no hydrogen 2.808 N/A SER 136.A OG ASP 142.A OD2 no hydrogen 2.705 N/A THR 141.A OG1 ASP 138.A O no hydrogen 3.255 N/A ASP 142.A N ASP 138.A O no hydrogen 2.782 N/A ILE 143.A N PRO 139.A O no hydrogen 2.827 N/A ALA 144.A N LYS 140.A O no hydrogen 3.234 N/A ALA 145.A N THR 141.A O no hydrogen 2.951 N/A GLY 146.A N ILE 143.A O no hydrogen 2.808 N/A LYS 147.A N ASP 142.A O no hydrogen 2.925 N/A THR 151.A OG1 GLN 152.A OE1 no hydrogen 2.965 N/A GLY 157.A N GLY 154.A O no hydrogen 2.864 N/A TYR 158.A N ALA 155.A O no hydrogen 2.930 N/A ALA 161.A N ASN 159.A OD1 no hydrogen 3.284 N/A GLU 162.A N ASN 159.A O no hydrogen 2.852 N/A TRP 163.A N ALA 160.A O no hydrogen 3.412 N/A PHE 164.A N PHE 295.A O no hydrogen 3.184 N/A GLN 165.A NE2 ASP 168.A OD1 no hydrogen 3.145 N/A VAL 166.A N THR 293.A O no hydrogen 2.753 N/A GLU 169.A N SER 167.A OG no hydrogen 3.314 N/A THR 170.A OG1 ALA 171.A O no hydrogen 3.153 N/A VAL 173.A N SER 240.A O no hydrogen 3.039 N/A GLY 175.A N PHE 238.A O no hydrogen 3.029 N/A LEU 177.A N VAL 236.A O no hydrogen 3.064 N/A LYS 178.A N SER 194.A O no hydrogen 2.881 N/A PHE 179.A N LEU 234.A O no hydrogen 2.685 N/A THR 180.A N VAL 192.A O no hydrogen 2.705 N/A LEU 181.A N TYR 232.A O no hydrogen 2.705 N/A ASP 182.A N ILE 190.A O no hydrogen 2.878 N/A TRP 183.A N ASN 230.A O no hydrogen 2.618 N/A SER 184.A N ASP 182.A OD2 no hydrogen 2.865 N/A SER 184.A OG ASP 182.A OD2 no hydrogen 3.252 N/A SER 188.A OG LEU 277.A O no hydrogen 3.480 N/A ILE 190.A N ASP 182.A O no hydrogen 2.913 N/A LEU 191.A N PHE 275.A O no hydrogen 2.986 N/A VAL 192.A N THR 180.A O no hydrogen 2.883 N/A SER 194.A N LYS 178.A O no hydrogen 2.991 N/A GLY 196.A N LEU 176.A O no hydrogen 3.019 N/A ASP 200.A N THR 235.A O no hydrogen 2.959 N/A ASN 203.A ND2 PHE 224.A O no hydrogen 3.119 N/A ASP 205.A N ASN 203.A OD1 no hydrogen 2.964 N/A GLY 207.A N ASP 205.A OD1 no hydrogen 2.493 N/A ALA 211.A N THR 208.A O no hydrogen 3.217 N/A TYR 213.A N ARG 247.A O no hydrogen 2.786 N/A LEU 214.A N LYS 222.A O no hydrogen 2.723 N/A TYR 215.A N LEU 245.A O no hydrogen 2.759 N/A TYR 216.A N ILE 220.A O no hydrogen 2.811 N/A GLY 217.A N SER 240.A OG no hydrogen 2.958 N/A ASP 219.A N GLY 217.A O no hydrogen 3.092 N/A ILE 220.A N TYR 216.A O no hydrogen 2.830 N/A LYS 222.A N LEU 214.A O no hydrogen 2.918 N/A LYS 222.A NZ ASP 202.A OD1 no hydrogen 2.744 N/A LYS 223.A NZ ASP 205.A O no hydrogen 2.846 N/A LYS 223.A NZ GLY 207.A O no hydrogen 2.853 N/A PHE 224.A N LYS 212.A O no hydrogen 2.781 N/A TYR 225.A N GLU 233.A O no hydrogen 2.941 N/A TYR 225.A OH GLU 201.A O no hydrogen 2.617 N/A LYS 227.A N ILE 231.A O no hydrogen 2.834 N/A GLY 228.A N ASP 226.A OD1 no hydrogen 2.795 N/A ILE 231.A N GLY 228.A O no hydrogen 3.325 N/A TYR 232.A N LEU 181.A O no hydrogen 2.786 N/A TYR 232.A OH ASN 210.A O no hydrogen 3.224 N/A GLU 233.A N TYR 225.A O no hydrogen 2.922 N/A LEU 234.A N PHE 179.A O no hydrogen 3.093 N/A VAL 236.A N LEU 177.A O no hydrogen 3.035 N/A SER 240.A N VAL 173.A O no hydrogen 3.085 N/A SER 240.A OG GLY 243.A O no hydrogen 2.653 N/A TRP 242.A NE1 GLY 217.A O no hydrogen 2.754 N/A GLY 243.A N SER 240.A OG no hydrogen 3.397 N/A LEU 244.A N ILE 286.A O no hydrogen 2.769 N/A LEU 245.A N TYR 215.A O no hydrogen 2.852 N/A ILE 246.A N TYR 260.A O no hydrogen 3.005 N/A ARG 247.A N TYR 213.A O no hydrogen 2.793 N/A ARG 247.A NH2 ALA 251.A O no hydrogen 2.792 N/A THR 248.A N THR 258.A O no hydrogen 3.065 N/A THR 248.A OG1 THR 258.A O no hydrogen 3.534 N/A THR 248.A OG1 THR 258.A OG1 no hydrogen 2.822 N/A THR 258.A N PRO 255.A O no hydrogen 3.019 N/A THR 258.A OG1 THR 248.A OG1 no hydrogen 2.822 N/A LYS 259.A NZ ASN 282.A OD1 no hydrogen 2.964 N/A TYR 260.A N ILE 246.A O no hydrogen 2.855 N/A GLY 261.A N THR 278.A O no hydrogen 3.095 N/A ALA 262.A N ALA 284.A O no hydrogen 2.807 N/A SER 266.A OG GLU 267.A OE2 no hydrogen 3.138 N/A GLU 267.A N SER 264.A O no hydrogen 3.067 N/A LYS 268.A NZ GLN 290.A O no hydrogen 2.840 N/A ASN 272.A N VAL 193.A O no hydrogen 2.772 N/A LYS 273.A N ALA 270.A O no hydrogen 3.194 N/A PHE 275.A N LEU 191.A O no hydrogen 2.996 N/A LEU 277.A N PRO 189.A O no hydrogen 3.094 N/A THR 278.A N GLY 261.A O no hydrogen 2.950 N/A ASN 279.A ND2 GLY 257.A O no hydrogen 3.382 N/A ALA 284.A N ALA 262.A O no hydrogen 2.892 N/A ILE 286.A N LEU 244.A O no hydrogen 2.817 N/A PHE 287.A N GLN 290.A OE1 no hydrogen 2.944 N/A ASP 288.A N LEU 269.A O no hydrogen 2.987 N/A GLN 290.A N PHE 287.A O no hydrogen 2.884 N/A GLN 290.A NE2 ALA 171.A O no hydrogen 3.062 N/A THR 293.A OG1 GLU 137.A OE1 no hydrogen 3.077 N/A TYR 294.A N SER 136.A O no hydrogen 2.815 N/A PHE 295.A N PHE 164.A O no hydrogen 2.814 N/A HIS 296.A N SER 134.A O no hydrogen 3.047 N/A HIS 296.A ND1 GLU 162.A O no hydrogen 2.948 N/A SER 297.A N GLU 162.A O no hydrogen 2.855 N/A SER 297.A OG THR 301.A O no hydrogen 2.770 N/A SER 297.A OG PHE 304.A O no hydrogen 3.347 N/A HIS 298.A N ASP 306.A OD1 no hydrogen 2.752 N/A CYS 300.A N SER 297.A O no hydrogen 3.037 N/A CYS 300.A SG ALA 161.A O no hydrogen 3.512 N/A CYS 300.A SG HIS 298.A O no hydrogen 3.585 N/A TRP 303.A N THR 301.A OG1 no hydrogen 3.209 N/A PHE 304.A N THR 301.A O no hydrogen 3.388 N/A ALA 305.A N THR 111.A O no hydrogen 3.055 N/A ASP 306.A N HIS 296.A O no hydrogen 2.923 N/A LEU 307.A N ASN 109.A O no hydrogen 2.893 N/A ASN 308.A N TYR 132.A O no hydrogen 2.736 N/A ASN 308.A ND2 ASN 131.A O no hydrogen 2.848 N/A GLY 310.A N ASN 308.A OD1 no hydrogen 3.194 N/A GLN 314.A N PRO 311.A O no hydrogen 2.829 N/A ALA 315.A N VAL 312.A O no hydrogen 3.243 N/A GLU 317.A N GLN 314.A O no hydrogen 3.055 N/A SER 318.A N ALA 315.A O no hydrogen 2.987 N/A SER 318.A OG ALA 315.A O no hydrogen 3.370 N/A TYR 321.A N SER 318.A OG no hydrogen 3.023 N/A TYR 321.A OH ASP 365.A OD2 no hydrogen 3.105 N/A GLN 322.A N SER 318.A O no hydrogen 3.045 N/A ALA 323.A N PRO 319.A O no hydrogen 3.010 N/A ILE 324.A N ALA 320.A O no hydrogen 2.974 N/A ALA 325.A N TYR 321.A O no hydrogen 2.816 N/A ASP 326.A N GLN 322.A O no hydrogen 3.113 N/A ALA 327.A N ALA 323.A O no hydrogen 3.090 N/A ALA 328.A N ILE 324.A O no hydrogen 3.157 N/A LYS 329.A N ALA 325.A O no hydrogen 3.081 N/A GLY 330.A N ASP 326.A O no hydrogen 3.034 N/A TRP 331.A N ALA 327.A O no hydrogen 3.274 N/A TRP 331.A N ALA 328.A O no hydrogen 3.122 N/A TRP 331.A NE1 TYR 76.A O no hydrogen 2.800 N/A ILE 332.A N ALA 328.A O no hydrogen 3.204 N/A ALA 333.A N LYS 329.A O no hydrogen 2.913 N/A ARG 334.A N TRP 331.A O no hydrogen 2.864 N/A ARG 334.A NH1 GLU 86.A O no hydrogen 3.523 N/A ARG 334.A NH2 GLU 86.A OE1 no hydrogen 2.891 N/A GLY 335.A N ILE 332.A O no hydrogen 2.965 N/A VAL 336.A N TRP 331.A O no hydrogen 3.223 N/A ASP 337.A N ILE 103.A O no hydrogen 2.984 N/A LEU 339.A N TYR 379.A O no hydrogen 3.042 N/A ARG 340.A N LEU 105.A O no hydrogen 2.759 N/A ARG 340.A NH1 ASP 106.A OD1 no hydrogen 2.853 N/A ARG 340.A NH1 ASP 342.A OD2 no hydrogen 3.010 N/A LEU 341.A N ILE 380.A O no hydrogen 2.856 N/A ALA 343.A N GLU 382.A OE1 no hydrogen 3.336 N/A LYS 345.A NZ LEU 384.A O no hydrogen 3.255 N/A LYS 345.A NZ SER 385.A OG no hydrogen 2.894 N/A HIS 346.A N ALA 343.A O no hydrogen 2.955 N/A TYR 348.A OH GLY 310.A O no hydrogen 2.579 N/A THR 352.A N SER 350.A OG no hydrogen 3.308 N/A SER 353.A N SER 350.A OG no hydrogen 2.902 N/A SER 353.A OG GLU 355.A OE1 no hydrogen 2.810 N/A GLU 355.A N SER 353.A OG no hydrogen 3.139 N/A ARG 358.A N GLU 354.A O no hydrogen 3.023 N/A PHE 359.A N GLU 355.A O no hydrogen 2.869 N/A LEU 360.A N ASN 356.A O no hydrogen 2.801 N/A LYS 361.A N PRO 357.A O no hydrogen 2.915 N/A TYR 363.A N LEU 360.A O no hydrogen 2.828 N/A TYR 363.A OH PHE 378.A O no hydrogen 2.554 N/A GLU 364.A N LYS 361.A O no hydrogen 2.943 N/A ASP 365.A N PHE 362.A O no hydrogen 3.164 N/A ALA 367.A N GLU 364.A O no hydrogen 3.289 N/A TYR 368.A N ASP 365.A O no hydrogen 3.350 N/A LYS 370.A N ASN 366.A O no hydrogen 2.956 N/A LYS 370.A NZ THR 375.A O no hydrogen 3.342 N/A LYS 370.A NZ ASP 376.A O no hydrogen 2.849 N/A LYS 370.A NZ ASP 377.A OD1 no hydrogen 3.228 N/A GLN 371.A N ALA 367.A O no hydrogen 2.926 N/A LYS 372.A N TYR 369.A O no hydrogen 2.997 N/A GLY 373.A N LYS 370.A O no hydrogen 3.228 N/A TYR 379.A N ASP 337.A O no hydrogen 3.420 N/A TYR 379.A OH TYR 479.A OH no hydrogen 2.556 N/A GLY 381.A N ALA 399.A O no hydrogen 3.149 N/A GLU 382.A N LEU 341.A O no hydrogen 3.031 N/A TYR 387.A N SER 404.A OG no hydrogen 3.015 N/A LYS 389.A N GLU 386.A O no hydrogen 2.929 N/A LYS 389.A NZ GLU 351.A OE1 no hydrogen 3.028 N/A VAL 390.A N GLU 386.A O no hydrogen 3.190 N/A ALA 391.A N TYR 387.A O no hydrogen 2.903 N/A TYR 393.A N VAL 390.A O no hydrogen 2.756 N/A TYR 393.A OH GLU 351.A O no hydrogen 2.945 N/A TYR 393.A OH ASN 356.A OD1 no hydrogen 3.256 N/A TYR 394.A N ALA 391.A O no hydrogen 2.828 N/A TYR 394.A OH ILE 440.A O no hydrogen 2.765 N/A LYS 395.A N PRO 392.A O no hydrogen 3.423 N/A GLY 396.A N TYR 393.A O no hydrogen 2.952 N/A LEU 397.A N TYR 393.A O no hydrogen 3.114 N/A LEU 400.A N ILE 440.A O no hydrogen 3.289 N/A PHE 401.A N GLY 381.A O no hydrogen 3.383 N/A GLU 402.A N ALA 442.A O no hydrogen 2.823 N/A SER 404.A OG GLU 386.A OE1 no hydrogen 2.618 N/A PHE 405.A N GLU 402.A O no hydrogen 3.158 N/A TYR 407.A N PHE 403.A O no hydrogen 3.086 N/A ARG 408.A N SER 404.A O no hydrogen 2.950 N/A ARG 408.A NH1 GLU 386.A OE1 no hydrogen 3.057 N/A ARG 408.A NH1 TYR 428.A OH no hydrogen 2.993 N/A ARG 408.A NH2 GLU 386.A OE2 no hydrogen 3.262 N/A LEU 409.A N PHE 405.A O no hydrogen 2.958 N/A GLU 410.A N TRP 406.A O no hydrogen 2.995 N/A TRP 411.A N TYR 407.A O no hydrogen 3.481 N/A GLY 412.A N ARG 408.A O no hydrogen 2.896 N/A ILE 413.A N LEU 409.A O no hydrogen 2.868 N/A ASN 414.A N GLU 410.A O no hydrogen 3.100 N/A ASN 414.A ND2 LYS 456.A O no hydrogen 3.100 N/A ASN 415.A N TRP 411.A O no hydrogen 2.888 N/A SER 416.A N ILE 413.A O no hydrogen 3.144 N/A THR 417.A N GLY 412.A O no hydrogen 2.844 N/A THR 417.A OG1 ASN 415.A O no hydrogen 3.075 N/A GLY 418.A N LYS 573.A O no hydrogen 2.703 N/A CYS 419.A N LYS 573.A O no hydrogen 3.245 N/A CYS 419.A SG LYS 573.A O no hydrogen 3.845 N/A PHE 421.A N GLY 418.A O no hydrogen 3.008 N/A ASP 424.A N TYR 420.A O no hydrogen 3.012 N/A ILE 425.A N PHE 421.A O no hydrogen 3.066 N/A LEU 426.A N ALA 422.A O no hydrogen 2.968 N/A SER 427.A N LYS 423.A O no hydrogen 3.140 N/A SER 427.A OG LYS 423.A O no hydrogen 3.513 N/A SER 427.A OG ASP 424.A O no hydrogen 2.497 N/A TYR 428.A N ASP 424.A O no hydrogen 3.079 N/A GLN 429.A N ILE 425.A O no hydrogen 3.033 N/A GLN 429.A NE2 GLU 441.A OE1 no hydrogen 3.343 N/A GLN 430.A N LEU 426.A O no hydrogen 3.009 N/A LYS 431.A N SER 427.A O no hydrogen 3.208 N/A TYR 432.A N TYR 428.A O no hydrogen 3.013 N/A ALA 433.A N GLN 429.A O no hydrogen 2.978 N/A ASN 434.A N GLN 430.A O no hydrogen 3.291 N/A ASN 434.A N LYS 431.A O no hydrogen 3.136 N/A TYR 435.A N TYR 432.A O no hydrogen 2.917 N/A ARG 436.A N TYR 432.A O no hydrogen 2.986 N/A ARG 436.A NE TYR 394.A O no hydrogen 3.033 N/A ARG 436.A NH1 ASP 438.A OD1 no hydrogen 3.300 N/A ASP 438.A N ASP 438.A OD1 no hydrogen 2.628 N/A ILE 440.A N PRO 398.A O no hydrogen 3.103 N/A ALA 442.A N LEU 400.A O no hydrogen 3.294 N/A LYS 444.A NZ LEU 445.A O no hydrogen 2.664 N/A LYS 444.A NZ GLU 450.A OE1 no hydrogen 3.069 N/A SER 446.A N THR 453.A OG1 no hydrogen 3.173 N/A SER 446.A OG THR 453.A OG1 no hydrogen 3.129 N/A ASN 447.A N GLU 450.A OE1 no hydrogen 3.019 N/A ASP 449.A N ASN 447.A OD1 no hydrogen 2.839 N/A GLU 450.A N ASN 447.A O no hydrogen 3.147 N/A ARG 452.A N GLY 490.A O no hydrogen 2.970 N/A ARG 452.A NE VAL 499.A O no hydrogen 3.251 N/A ARG 452.A NH1 TYR 482.A O no hydrogen 2.752 N/A ARG 452.A NH2 TYR 482.A O no hydrogen 3.181 N/A ARG 452.A NH2 VAL 499.A O no hydrogen 3.409 N/A THR 453.A OG1 SER 446.A OG no hydrogen 3.129 N/A LYS 456.A N ARG 452.A O no hydrogen 3.164 N/A LEU 457.A N SER 454.A O no hydrogen 2.838 N/A GLY 458.A N SER 455.A O no hydrogen 3.230 N/A LYS 459.A N SER 454.A O no hydrogen 2.791 N/A SER 460.A N LEU 457.A O no hydrogen 3.394 N/A LYS 463.A N SER 460.A OG no hydrogen 3.030 N/A LYS 463.A NZ ASN 414.A OD1 no hydrogen 3.463 N/A CYS 464.A N SER 460.A O no hydrogen 3.029 N/A CYS 464.A SG SER 460.A O no hydrogen 3.513 N/A LYS 465.A N ALA 461.A O no hydrogen 3.087 N/A LYS 465.A NZ HIS 535.A O no hydrogen 2.458 N/A LEU 466.A N ASP 462.A O no hydrogen 3.119 N/A ALA 467.A N LYS 463.A O no hydrogen 2.918 N/A ALA 468.A N CYS 464.A O no hydrogen 3.098 N/A ALA 469.A N LYS 465.A O no hydrogen 2.826 N/A VAL 470.A N LEU 466.A O no hydrogen 2.879 N/A LEU 471.A N ALA 467.A O no hydrogen 2.996 N/A LEU 472.A N ALA 468.A O no hydrogen 2.972 N/A THR 473.A OG1 ALA 469.A O no hydrogen 2.722 N/A THR 473.A OG1 HIS 590.A NE2 no hydrogen 2.834 N/A SER 474.A OG VAL 470.A O no hydrogen 2.591 N/A HIS 477.A N GLU 441.A O no hydrogen 3.001 N/A TYR 479.A N THR 443.A O no hydrogen 2.960 N/A TYR 479.A OH TYR 379.A OH no hydrogen 2.556 N/A ILE 480.A N SER 21.A O no hydrogen 2.710 N/A TYR 481.A N GLU 484.A OE1 no hydrogen 3.162 N/A TYR 481.A OH VAL 499.A O no hydrogen 2.643 N/A TYR 482.A N GLN 23.A O no hydrogen 2.823 N/A TYR 482.A OH SER 501.A O no hydrogen 2.564 N/A GLU 484.A N TYR 481.A O no hydrogen 3.046 N/A LEU 486.A N GLY 483.A O no hydrogen 3.231 N/A GLY 487.A N GLY 483.A O no hydrogen 3.049 N/A LEU 488.A N GLY 483.A O no hydrogen 3.056 N/A TYR 489.A OH THR 519.A OG1 no hydrogen 2.939 N/A GLY 490.A N SER 455.A OG no hydrogen 2.695 N/A THR 491.A OG1 ASP 493.A OD2 no hydrogen 2.843 N/A LYS 492.A N ASP 451.A OD1 no hydrogen 2.807 N/A LYS 492.A NZ ASP 449.A O no hydrogen 2.941 N/A GLY 495.A N LYS 492.A O no hydrogen 2.712 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.732 N/A TYR 498.A N GLY 495.A O no hydrogen 3.307 N/A VAL 499.A N ASP 496.A O no hydrogen 3.047 N/A ARG 500.A N GLU 497.A O no hydrogen 2.816 N/A ARG 500.A NE HIS 448.A O no hydrogen 2.874 N/A ARG 500.A NH2 HIS 448.A O no hydrogen 2.694 N/A TRP 504.A N THR 509.A OG1 no hydrogen 3.144 N/A TRP 504.A NE1 PHE 29.A O no hydrogen 2.748 N/A TYR 508.A N ASP 506.A OD1 no hydrogen 2.727 N/A TYR 508.A OH GLN 45.A OE1 no hydrogen 2.540 N/A THR 510.A OG1 SER 28.A O no hydrogen 3.211 N/A ASN 511.A N GLY 36.A O no hydrogen 2.747 N/A TYR 512.A OH ARG 500.A O no hydrogen 2.722 N/A LYS 515.A N THR 513.A OG1 no hydrogen 2.951 N/A THR 516.A N ASP 514.A O no hydrogen 2.928 N/A THR 516.A OG1 THR 513.A O no hydrogen 3.260 N/A THR 519.A N ASP 517.A OD1 no hydrogen 3.057 N/A THR 519.A OG1 TYR 489.A OH no hydrogen 2.939 N/A THR 519.A OG1 ASP 517.A OD1 no hydrogen 2.489 N/A VAL 520.A N ASP 517.A O no hydrogen 3.026 N/A LYS 522.A N THR 519.A O no hydrogen 3.239 N/A ASN 523.A N VAL 520.A O no hydrogen 3.140 N/A VAL 524.A N VAL 520.A O no hydrogen 2.898 N/A THR 526.A N ASP 529.A OD2 no hydrogen 3.260 N/A THR 526.A OG1 LEU 503.A O no hydrogen 3.078 N/A VAL 527.A N LEU 503.A O no hydrogen 2.983 N/A ALA 528.A N TRP 504.A O no hydrogen 3.328 N/A GLN 530.A N THR 526.A O no hydrogen 2.863 N/A GLN 530.A NE2 GLU 485.A O no hydrogen 3.651 N/A GLN 531.A N VAL 527.A O no hydrogen 2.849 N/A ALA 532.A N ASP 529.A O no hydrogen 3.116 N/A ASP 533.A N ASP 529.A O no hydrogen 3.198 N/A HIS 535.A N ASP 533.A OD1 no hydrogen 3.216 N/A SER 536.A N ASP 533.A O no hydrogen 3.354 N/A SER 536.A OG GLN 530.A O no hydrogen 2.855 N/A SER 536.A OG ASP 533.A O no hydrogen 3.252 N/A ASN 539.A N SER 536.A OG no hydrogen 2.940 N/A ILE 540.A N SER 536.A O no hydrogen 3.241 N/A TYR 541.A N LEU 537.A O no hydrogen 3.106 N/A TYR 541.A OH GLU 484.A OE2 no hydrogen 2.673 N/A PHE 542.A N LEU 538.A O no hydrogen 2.921 N/A SER 543.A N ASN 539.A O no hydrogen 2.862 N/A LEU 544.A N ILE 540.A O no hydrogen 2.893 N/A THR 545.A N TYR 541.A O no hydrogen 2.965 N/A THR 545.A OG1 TYR 541.A O no hydrogen 2.799 N/A THR 545.A OG1 PHE 542.A O no hydrogen 2.951 N/A ARG 546.A N PHE 542.A O no hydrogen 3.051 N/A LEU 547.A N SER 543.A O no hydrogen 3.080 N/A ARG 548.A N LEU 544.A O no hydrogen 2.921 N/A ARG 548.A NE LEU 472.A O no hydrogen 2.910 N/A ARG 548.A NH1 GLY 476.A O no hydrogen 3.224 N/A ARG 548.A NH2 SER 474.A O no hydrogen 2.315 N/A ARG 548.A NH2 GLY 476.A O no hydrogen 3.175 N/A ASN 549.A N THR 545.A O no hydrogen 2.883 N/A THR 550.A N LEU 547.A O no hydrogen 3.222 N/A TYR 551.A N LEU 547.A O no hydrogen 3.167 N/A TYR 551.A OH ASP 10.A OD1 no hydrogen 2.592 N/A ALA 553.A N GLU 584.A OE2 no hydrogen 3.284 N/A LEU 554.A N TYR 551.A O no hydrogen 2.770 N/A ALA 555.A N TYR 551.A O no hydrogen 2.837 N/A GLU 556.A N PRO 552.A O no hydrogen 2.826 N/A ASN 558.A N THR 580.A O no hydrogen 2.982 N/A SER 562.A OG TYR 579.A OH no hydrogen 2.810 N/A TYR 564.A OH PRO 599.A O no hydrogen 3.092 N/A ASN 565.A ND2 HIS 561.A O no hydrogen 2.862 N/A GLU 566.A N GLU 566.A OE1 no hydrogen 2.806 N/A SER 567.A N ASN 565.A OD1 no hydrogen 2.880 N/A SER 567.A OG ASN 565.A OD1 no hydrogen 2.741 N/A GLN 568.A N ASN 565.A O no hydrogen 3.181 N/A GLU 569.A N GLU 566.A O no hydrogen 3.046 N/A TYR 572.A N GLN 568.A O no hydrogen 3.063 N/A LYS 573.A NZ GLU 569.A O no hydrogen 2.466 N/A ILE 575.A N TYR 572.A O no hydrogen 3.046 N/A ALA 576.A N HIS 590.A O no hydrogen 2.926 N/A TRP 578.A N VAL 588.A O no hydrogen 3.014 N/A TRP 578.A NE1 THR 473.A O no hydrogen 3.112 N/A TYR 579.A N THR 559.A O no hydrogen 2.832 N/A TYR 579.A OH SER 562.A OG no hydrogen 2.810 N/A TYR 579.A OH ASP 602.A OD1 no hydrogen 2.609 N/A THR 580.A OG1 GLU 584.A O no hydrogen 3.495 N/A LYS 581.A N GLU 584.A O no hydrogen 3.175 N/A GLU 584.A N LYS 581.A O no hydrogen 2.930 N/A LEU 587.A N PHE 635.A O no hydrogen 2.757 N/A VAL 588.A N TRP 578.A O no hydrogen 2.855 N/A ILE 589.A N VAL 633.A O no hydrogen 2.825 N/A HIS 590.A N ALA 576.A O no hydrogen 2.785 N/A HIS 590.A NE2 THR 473.A OG1 no hydrogen 2.834 N/A ASN 591.A N ALA 631.A O no hydrogen 2.968 N/A ASN 591.A ND2 THR 595.A O no hydrogen 3.294 N/A ASN 591.A ND2 LEU 627.A O no hydrogen 3.289 N/A ASN 591.A ND2 GLY 628.A O no hydrogen 2.873 N/A PHE 592.A N PRO 574.A O no hydrogen 2.711 N/A GLY 593.A N ASN 591.A OD1 no hydrogen 3.043 N/A LEU 598.A N LEU 625.A O no hydrogen 2.835 N/A LEU 600.A N TYR 623.A O no hydrogen 2.901 N/A ILE 604.A N ASP 602.A O no hydrogen 3.112 N/A GLU 605.A N LYS 636.A O no hydrogen 2.822 N/A LYS 606.A N LYS 636.A O no hydrogen 3.423 N/A LYS 606.A NZ SER 8.A O no hydrogen 3.072 N/A LYS 606.A NZ ASP 10.A OD1 no hydrogen 3.217 N/A LEU 608.A N VAL 634.A O no hydrogen 2.905 N/A PHE 609.A N VAL 634.A O no hydrogen 3.407 N/A ASN 611.A N SER 632.A O no hydrogen 3.005 N/A GLN 615.A N LYS 626.A O no hydrogen 2.921 N/A GLN 616.A N THR 3.A O no hydrogen 2.722 N/A GLN 616.A NE2 TYR 623.A OH no hydrogen 2.531 N/A ASN 617.A N THR 624.A O no hydrogen 2.879 N/A ASN 617.A ND2 ASP 619.A OD2 no hydrogen 3.271 N/A SER 622.A OG SER 620.A O no hydrogen 3.032 N/A THR 624.A N ASN 617.A O no hydrogen 2.896 N/A LEU 625.A N LEU 598.A O no hydrogen 2.982 N/A LYS 626.A N GLN 615.A O no hydrogen 2.809 N/A LYS 626.A NZ GLU 613.A OE2 no hydrogen 3.128 N/A LYS 626.A NZ GLN 615.A OE1 no hydrogen 3.436 N/A GLY 628.A N GLU 613.A O no hydrogen 2.600 N/A TYR 630.A N GLY 593.A O no hydrogen 2.789 N/A ALA 631.A N GLY 628.A O no hydrogen 3.030 N/A SER 632.A N ASN 611.A O no hydrogen 2.799 N/A VAL 633.A N ILE 589.A O no hydrogen 2.827 N/A VAL 634.A N PHE 609.A O no hydrogen 3.031 N/A PHE 635.A N LEU 587.A O no hydrogen 2.855 N/A LYS 636.A N LYS 606.A O no hydrogen 2.835 N/A LYS 636.A NZ GLU 584.A OE1 no hydrogen 3.467 N/A LEU 637.A N LYS 585.A O no hydrogen 2.822 N/A GLY 638.A N LYS 603.A O no hydrogen 2.569 N/A