Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5e1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ILE 16.A O no hydrogen 2.909 N/A GLU 5.A N THR 14.A O no hydrogen 3.035 N/A SER 7.A N LEU 12.A O no hydrogen 2.768 N/A SER 7.A OG ASP 9.A OD1 no hydrogen 2.704 N/A SER 7.A OG LEU 12.A O no hydrogen 3.353 N/A SER 7.A OG ASN 100.A OD1 no hydrogen 3.533 N/A ASP 9.A N ASN 100.A OD1 no hydrogen 2.877 N/A GLY 10.A N SER 7.A O no hydrogen 2.834 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 2.916 N/A LEU 12.A N SER 7.A OG no hydrogen 3.047 N/A LYS 13.A N THR 27.A O no hydrogen 3.050 N/A THR 14.A N GLU 5.A O no hydrogen 2.906 N/A THR 14.A OG1 ASP 25.A O no hydrogen 2.727 N/A THR 15.A N ASP 25.A OD2 no hydrogen 2.715 N/A ILE 16.A N HIS 3.A O no hydrogen 2.690 N/A THR 17.A N THR 23.A O no hydrogen 2.864 N/A ILE 18.A N GLY 1.A O no hydrogen 2.850 N/A GLY 19.A N ARG 21.A O no hydrogen 2.855 N/A THR 23.A N THR 17.A O no hydrogen 3.008 N/A TYR 24.A N SER 37.A O no hydrogen 3.106 N/A ASP 25.A N THR 15.A O no hydrogen 3.149 N/A ILE 26.A N LEU 34.A O no hydrogen 3.026 N/A THR 27.A N LYS 13.A O no hydrogen 2.847 N/A CYS 28.A N ARG 31.A O no hydrogen 2.727 N/A ASN 29.A N ASN 11.A O no hydrogen 2.836 N/A ARG 31.A N CYS 28.A O no hydrogen 2.896 N/A ARG 31.A NH1 ALA 179.A O no hydrogen 2.744 N/A ARG 31.A NH2 GLY 180.A O no hydrogen 3.067 N/A GLN 32.A NE2 ASP 25.A OD1 no hydrogen 3.128 N/A ILE 33.A N ILE 26.A O no hydrogen 2.918 N/A LEU 34.A N ILE 26.A O no hydrogen 3.120 N/A THR 35.A N CYS 125.A O no hydrogen 2.747 N/A THR 35.A OG1 CYS 125.A O no hydrogen 3.084 N/A SER 37.A N TYR 24.A O no hydrogen 2.654 N/A SER 37.A OG THR 35.A O no hydrogen 2.809 N/A ILE 39.A N LEU 22.A O no hydrogen 3.017 N/A SER 40.A N VAL 121.A O no hydrogen 3.001 N/A MET 41.A N TRP 49.A O no hydrogen 3.070 N/A THR 42.A N THR 119.A O no hydrogen 2.918 N/A LEU 43.A N THR 47.A O no hydrogen 2.713 N/A ASP 44.A N ARG 116.A O no hydrogen 2.998 N/A GLY 46.A N LEU 43.A O no hydrogen 3.073 N/A THR 47.A N ASN 45.A OD1 no hydrogen 3.031 N/A THR 47.A OG1 ASN 45.A OD1 no hydrogen 3.054 N/A TRP 49.A N MET 41.A O no hydrogen 2.885 N/A GLU 51.A N VAL 48.A O no hydrogen 3.171 N/A ASN 52.A N ASP 20.A O no hydrogen 2.970 N/A SER 56.A N ARG 87.A O no hydrogen 2.696 N/A SER 56.A OG ARG 87.A O no hydrogen 3.139 N/A GLY 57.A N ARG 87.A O no hydrogen 3.107 N/A SER 59.A N THR 85.A O no hydrogen 3.057 N/A ARG 60.A NH2 MET 4.A O no hydrogen 2.996 N/A LYS 61.A N GLY 83.A O no hydrogen 3.032 N/A LYS 61.A NZ TYR 81.A OH no hydrogen 3.336 N/A SER 62.A OG ASN 82.A OD1 no hydrogen 2.727 N/A VAL 63.A N TYR 81.A O no hydrogen 2.977 N/A GLU 65.A N ASN 79.A O no hydrogen 2.936 N/A ILE 67.A N LEU 77.A O no hydrogen 2.837 N/A SER 69.A N SER 75.A O no hydrogen 3.075 N/A SER 69.A OG ALA 74.A O no hydrogen 2.888 N/A ARG 73.A NE GLU 517.A OE2 no hydrogen 2.770 N/A ARG 73.A NH1 THR 265.A O no hydrogen 2.917 N/A ARG 73.A NH1 ASN 266.A OD1 no hydrogen 2.893 N/A ARG 73.A NH2 GLU 517.A OE1 no hydrogen 2.919 N/A ARG 73.A NH2 GLU 517.A OE2 no hydrogen 3.366 N/A SER 75.A N ASP 548.A O no hydrogen 2.953 N/A SER 75.A OG ASP 548.A O no hydrogen 3.430 N/A LEU 77.A N ILE 67.A O no hydrogen 2.781 N/A ARG 78.A NE ASP 64.A OD2 no hydrogen 2.928 N/A ARG 78.A NH2 ASP 64.A OD1 no hydrogen 2.845 N/A ASN 79.A N GLU 65.A O no hydrogen 2.687 N/A ASN 79.A ND2 GLU 65.A OE1 no hydrogen 3.008 N/A TYR 81.A N VAL 63.A O no hydrogen 2.903 N/A ASN 82.A N ALA 98.A O no hydrogen 3.100 N/A ASN 82.A ND2 LEU 6.A O no hydrogen 2.667 N/A GLY 83.A N LYS 61.A O no hydrogen 2.805 N/A LEU 84.A N PHE 96.A O no hydrogen 2.933 N/A THR 85.A N SER 59.A O no hydrogen 2.772 N/A LEU 86.A N VAL 94.A O no hydrogen 2.849 N/A ARG 87.A N GLY 57.A O no hydrogen 2.793 N/A ARG 87.A NH1 THR 58.A O no hydrogen 3.483 N/A PHE 88.A N TRP 92.A O no hydrogen 2.926 N/A LYS 89.A N LYS 54.A O no hydrogen 2.813 N/A ASN 93.A N VAL 108.A O no hydrogen 3.073 N/A VAL 94.A N LEU 86.A O no hydrogen 2.849 N/A GLU 95.A N ARG 106.A O no hydrogen 2.933 N/A PHE 96.A N LEU 84.A O no hydrogen 2.815 N/A ARG 97.A N ALA 104.A O no hydrogen 2.812 N/A ARG 97.A NH1 TYR 99.A OH no hydrogen 3.236 N/A ALA 98.A N ASN 82.A O no hydrogen 2.801 N/A TYR 99.A N GLY 102.A O no hydrogen 2.831 N/A TYR 99.A OH ASN 79.A OD1 no hydrogen 2.695 N/A GLY 102.A N TYR 99.A O no hydrogen 3.307 N/A ILE 103.A N ALA 253.A O no hydrogen 3.060 N/A ALA 104.A N ARG 97.A O no hydrogen 3.102 N/A TYR 105.A N ARG 251.A O no hydrogen 3.003 N/A TYR 105.A OH SER 122.A OG no hydrogen 2.788 N/A ARG 106.A N GLU 95.A O no hydrogen 3.007 N/A ARG 106.A NE GLU 95.A OE1 no hydrogen 3.038 N/A ARG 106.A NH2 GLU 95.A OE1 no hydrogen 2.953 N/A VAL 108.A N ASN 93.A O no hydrogen 2.909 N/A ASN 109.A N ARG 246.A O no hydrogen 2.818 N/A ASN 109.A ND2 GLY 111.A O no hydrogen 3.696 N/A ASN 109.A ND2 LYS 244.A O no hydrogen 2.814 N/A GLN 110.A N ASP 91.A O no hydrogen 2.949 N/A GLY 111.A N ASN 109.A OD1 no hydrogen 2.978 N/A PHE 115.A N VAL 242.A O no hydrogen 2.765 N/A ARG 116.A N ASP 44.A OD2 no hydrogen 3.050 N/A VAL 117.A N ALA 240.A O no hydrogen 2.874 N/A VAL 118.A N THR 42.A O no hydrogen 2.715 N/A VAL 121.A N SER 40.A O no hydrogen 2.878 N/A SER 122.A N SER 211.A OG no hydrogen 3.247 N/A SER 122.A OG TYR 105.A OH no hydrogen 2.788 N/A ASP 123.A N PRO 38.A O no hydrogen 3.199 N/A TYR 124.A N LEU 209.A O no hydrogen 2.789 N/A CYS 125.A N SER 37.A OG no hydrogen 3.045 N/A CYS 125.A SG PRO 36.A O no hydrogen 3.988 N/A CYS 125.A SG SER 37.A OG no hydrogen 3.725 N/A PHE 126.A N ASN 207.A O no hydrogen 2.960 N/A MET 130.A N SER 128.A O no hydrogen 2.864 N/A ALA 132.A N ASP 160.A O no hydrogen 2.721 N/A SER 133.A N VAL 176.A O no hydrogen 2.760 N/A SER 133.A OG THR 159.A OG1 no hydrogen 2.884 N/A VAL 134.A N THR 158.A O no hydrogen 2.823 N/A VAL 137.A N LEU 170.A O no hydrogen 2.950 N/A LYS 138.A NZ GLU 154.A O no hydrogen 2.879 N/A LYS 138.A NZ ASN 447.A OD1 no hydrogen 2.822 N/A SER 139.A OG PHE 150.A O no hydrogen 3.269 N/A LYS 141.A N SER 147.A OG no hydrogen 3.081 N/A GLY 143.A N GLN 168.A O no hydrogen 2.939 N/A ASP 144.A N LYS 141.A O no hydrogen 3.101 N/A SER 147.A N ASP 144.A O no hydrogen 3.132 N/A SER 147.A N ASP 144.A OD2 no hydrogen 3.016 N/A SER 147.A OG ASP 144.A O no hydrogen 2.702 N/A GLN 148.A N TYR 145.A O no hydrogen 2.839 N/A GLN 148.A NE2 LYS 141.A O no hydrogen 3.040 N/A GLN 148.A NE2 ASP 144.A O no hydrogen 3.672 N/A GLN 148.A NE2 GLN 168.A O no hydrogen 3.158 N/A PHE 149.A N TYR 145.A O no hydrogen 2.878 N/A ASN 151.A N ASP 398.A O no hydrogen 3.166 N/A ASN 151.A ND2 GLN 148.A O no hydrogen 3.106 N/A ASN 151.A ND2 PHE 149.A O no hydrogen 3.483 N/A SER 152.A OG GLU 154.A OE1 no hydrogen 2.702 N/A PHE 153.A N ASN 151.A OD1 no hydrogen 2.752 N/A ASN 155.A ND2 TYR 136.A O no hydrogen 2.904 N/A THR 156.A N ASN 155.A OD1 no hydrogen 2.767 N/A THR 156.A OG1 ASN 155.A OD1 no hydrogen 3.561 N/A THR 158.A N VAL 134.A O no hydrogen 2.750 N/A THR 159.A OG1 SER 133.A OG no hydrogen 2.884 N/A ASP 160.A N ALA 132.A O no hydrogen 2.874 N/A LEU 162.A N MET 130.A O no hydrogen 2.894 N/A SER 163.A N ASP 129.A OD1 no hydrogen 2.921 N/A SER 163.A OG ASP 129.A OD1 no hydrogen 3.185 N/A SER 163.A OG ASP 129.A OD2 no hydrogen 2.678 N/A LYS 164.A N LYS 161.A O no hydrogen 2.808 N/A LEU 165.A N LEU 162.A O no hydrogen 3.327 N/A ASN 166.A N TYR 136.A OH no hydrogen 2.806 N/A ASN 166.A ND2 ASP 142.A OD2 no hydrogen 2.862 N/A LYS 167.A NZ ALA 202.A O no hydrogen 3.538 N/A GLN 168.A N ASN 166.A OD1 no hydrogen 2.735 N/A ARG 169.A NE ASP 142.A OD1 no hydrogen 2.979 N/A ARG 169.A NH1 GLY 140.A O no hydrogen 2.657 N/A ARG 169.A NH1 ASP 142.A OD1 no hydrogen 2.999 N/A ARG 169.A NH2 VAL 137.A O no hydrogen 2.868 N/A ARG 169.A NH2 SER 139.A O no hydrogen 3.001 N/A LEU 170.A N GLN 148.A OE1 no hydrogen 2.857 N/A MET 171.A N LEU 200.A O no hydrogen 3.054 N/A PHE 172.A N PRO 135.A O no hydrogen 3.157 N/A LEU 175.A N ILE 187.A O no hydrogen 3.269 N/A VAL 176.A N SER 133.A O no hydrogen 3.022 N/A VAL 177.A N VAL 185.A O no hydrogen 2.761 N/A ASP 178.A N THR 131.A O no hydrogen 2.843 N/A ALA 179.A N VAL 183.A O no hydrogen 2.872 N/A GLY 180.A N ASP 178.A OD1 no hydrogen 2.820 N/A VAL 183.A N GLY 180.A O no hydrogen 3.159 N/A LYS 184.A N THR 256.A O no hydrogen 2.907 N/A LYS 184.A NZ ASP 259.A OD1 no hydrogen 2.886 N/A LYS 184.A NZ ASP 259.A OD2 no hydrogen 3.220 N/A VAL 185.A N VAL 177.A O no hydrogen 2.787 N/A CYS 186.A N VAL 254.A O no hydrogen 2.849 N/A CYS 186.A SG LEU 175.A O no hydrogen 3.806 N/A ILE 187.A N LEU 175.A O no hydrogen 2.945 N/A THR 188.A N ILE 252.A O no hydrogen 2.962 N/A SER 190.A N TRP 250.A O no hydrogen 3.346 N/A SER 190.A OG SER 268.A O no hydrogen 2.783 N/A LEU 192.A N ALA 431.A O no hydrogen 3.479 N/A TYR 195.A N THR 405.A OG1 no hydrogen 3.034 N/A TYR 195.A OH GLU 120.A OE1 no hydrogen 2.732 N/A GLY 197.A N ASP 400.A O no hydrogen 2.814 N/A LEU 198.A N GLU 189.A OE2 no hydrogen 2.926 N/A TYR 199.A N MET 212.A O no hydrogen 3.003 N/A TYR 199.A OH ASP 400.A OD1 no hydrogen 2.729 N/A LEU 200.A N MET 171.A O no hydrogen 2.967 N/A SER 201.A N SER 210.A O no hydrogen 2.591 N/A SER 201.A OG SER 203.A OG no hydrogen 2.869 N/A SER 203.A N SER 201.A OG no hydrogen 3.035 N/A SER 203.A OG SER 201.A OG no hydrogen 2.869 N/A LEU 209.A N TYR 124.A O no hydrogen 2.999 N/A SER 210.A N SER 201.A O no hydrogen 2.852 N/A SER 210.A OG SER 201.A O no hydrogen 3.554 N/A SER 211.A OG GLU 120.A O no hydrogen 2.665 N/A MET 212.A N TYR 199.A O no hydrogen 2.922 N/A TYR 216.A N TYR 238.A O no hydrogen 2.976 N/A LYS 218.A N GLU 234.A O no hydrogen 2.769 N/A LYS 218.A NZ GLU 234.A OE1 no hydrogen 3.445 N/A ARG 219.A N GLU 234.A O no hydrogen 3.175 N/A ARG 219.A NE GLU 234.A OE2 no hydrogen 2.973 N/A VAL 221.A N LEU 231.A O no hydrogen 2.952 N/A GLN 222.A NE2 GLN 227.A O no hydrogen 2.809 N/A GLY 223.A N GLN 229.A O no hydrogen 2.823 N/A HIS 225.A N GLN 229.A OE1 no hydrogen 2.830 N/A HIS 225.A NE2 GLU 331.A OE2 no hydrogen 2.790 N/A ASN 226.A ND2 GLU 331.A OE1 no hydrogen 2.904 N/A GLN 227.A N GLY 224.A O no hydrogen 3.267 N/A LEU 228.A N HIS 225.A O no hydrogen 2.927 N/A GLN 229.A N GLY 223.A O no hydrogen 3.013 N/A GLN 229.A NE2 PHE 396.A O no hydrogen 2.906 N/A GLN 229.A NE2 ASP 398.A OD2 no hydrogen 3.106 N/A LEU 231.A N VAL 221.A O no hydrogen 2.850 N/A LYS 233.A N ARG 219.A O no hydrogen 2.870 N/A GLU 234.A N ARG 219.A O no hydrogen 3.296 N/A HIS 235.A ND1 GLU 236.A O no hydrogen 3.152 N/A GLU 236.A N TYR 216.A O no hydrogen 2.749 N/A ILE 239.A N VAL 117.A O no hydrogen 2.776 N/A ALA 240.A N VAL 117.A O no hydrogen 3.328 N/A LYS 241.A N GLN 402.A OE1 no hydrogen 2.660 N/A LYS 241.A NZ TYR 216.A OH no hydrogen 3.447 N/A VAL 242.A N PHE 115.A O no hydrogen 2.892 N/A ARG 246.A N ASN 109.A O no hydrogen 3.012 N/A ARG 246.A NE ASN 247.A O no hydrogen 2.693 N/A ARG 246.A NH1 ASN 194.A O no hydrogen 2.889 N/A ARG 246.A NH2 GLU 193.A O no hydrogen 2.992 N/A ARG 246.A NH2 ASN 247.A O no hydrogen 3.190 N/A PHE 248.A N PHE 107.A O no hydrogen 2.970 N/A TRP 250.A N SER 190.A O no hydrogen 3.045 N/A ARG 251.A N TYR 105.A O no hydrogen 2.654 N/A ARG 251.A NE GLU 120.A OE2 no hydrogen 2.967 N/A ARG 251.A NH1 GLU 189.A OE1 no hydrogen 2.965 N/A ARG 251.A NH1 TRP 250.A O no hydrogen 3.436 N/A ARG 251.A NH2 GLU 120.A OE1 no hydrogen 3.088 N/A ARG 251.A NH2 GLU 120.A OE2 no hydrogen 3.547 N/A ILE 252.A N THR 188.A O no hydrogen 2.811 N/A ALA 253.A N ILE 103.A O no hydrogen 2.839 N/A VAL 254.A N CYS 186.A O no hydrogen 2.793 N/A VAL 255.A N ASP 101.A O no hydrogen 2.820 N/A THR 256.A N LYS 184.A O no hydrogen 2.983 N/A ASP 261.A N THR 258.A O no hydrogen 3.069 N/A ALA 263.A N ASP 259.A O no hydrogen 3.213 N/A ALA 264.A N LYS 260.A O no hydrogen 3.016 N/A THR 265.A N LEU 262.A O no hydrogen 3.363 N/A THR 265.A OG1 ASP 101.A OD2 no hydrogen 2.807 N/A SER 268.A OG SER 475.A O no hydrogen 2.709 N/A LEU 270.A N ASN 266.A O no hydrogen 3.012 N/A LEU 271.A N LEU 267.A O no hydrogen 2.972 N/A GLY 272.A N TYR 269.A O no hydrogen 3.125 N/A SER 275.A OG MET 277.A O no hydrogen 3.247 N/A ARG 276.A N THR 436.A O no hydrogen 2.790 N/A ARG 276.A NH1 GLU 193.A OE2 no hydrogen 2.864 N/A ARG 276.A NH2 GLU 193.A OE1 no hydrogen 2.481 N/A ARG 276.A NH2 GLU 193.A OE2 no hydrogen 3.507 N/A MET 277.A N SER 275.A OG no hydrogen 3.079 N/A SER 281.A N ASP 279.A OD1 no hydrogen 3.096 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 2.795 N/A ILE 283.A N LEU 280.A O no hydrogen 3.000 N/A GLY 286.A N PRO 519.A O no hydrogen 3.137 N/A LYS 287.A N GLU 325.A OE1 no hydrogen 2.643 N/A LYS 287.A NZ ILE 540.A O no hydrogen 2.745 N/A LYS 287.A NZ ALA 541.A O no hydrogen 3.231 N/A LYS 287.A NZ ILE 543.A O no hydrogen 2.593 N/A VAL 288.A N ASN 521.A O no hydrogen 2.849 N/A ALA 289.A N TYR 326.A O no hydrogen 3.043 N/A TRP 290.A N LEU 523.A O no hydrogen 3.213 N/A TRP 290.A NE1 ASP 330.A OD1 no hydrogen 2.878 N/A ASP 291.A N ASP 291.A OD2 no hydrogen 2.605 N/A TRP 293.A NE1 LEU 449.A O no hydrogen 2.990 N/A ASN 294.A ND2 TRP 290.A O no hydrogen 2.663 N/A ASN 294.A ND2 CYS 524.A O no hydrogen 2.921 N/A ASP 295.A N TRP 292.A O no hydrogen 3.024 N/A TRP 296.A N ASP 291.A O no hydrogen 3.189 N/A TRP 296.A NE1 TYR 312.A OH no hydrogen 2.899 N/A ASN 297.A N ASN 294.A O no hydrogen 3.045 N/A ASN 297.A ND2 SER 498.A O no hydrogen 3.204 N/A LEU 298.A N TRP 296.A O no hydrogen 2.923 N/A ASP 299.A N SER 528.A OG no hydrogen 3.054 N/A THR 305.A OG1 TRP 296.A O no hydrogen 3.139 N/A GLY 306.A N THR 311.A OG1 no hydrogen 3.115 N/A ASN 308.A N GLY 306.A O no hydrogen 2.822 N/A ASN 308.A ND2 VAL 304.A O no hydrogen 3.099 N/A ASN 309.A N GLU 347.A O no hydrogen 3.219 N/A THR 311.A N ASN 308.A OD1 no hydrogen 3.109 N/A THR 311.A OG1 GLY 306.A O no hydrogen 3.211 N/A THR 311.A OG1 ASN 308.A OD1 no hydrogen 2.564 N/A TYR 312.A N ASN 308.A O no hydrogen 3.297 N/A TYR 312.A OH ASP 291.A OD1 no hydrogen 2.387 N/A LYS 313.A N ASN 309.A O no hydrogen 2.957 N/A LYS 313.A NZ GLU 352.A OE2 no hydrogen 2.614 N/A ALA 314.A N PRO 310.A O no hydrogen 3.179 N/A TYR 315.A N THR 311.A O no hydrogen 3.153 N/A TYR 315.A OH ASN 294.A OD1 no hydrogen 2.456 N/A ILE 316.A N TYR 312.A O no hydrogen 2.824 N/A ASP 317.A N LYS 313.A O no hydrogen 2.808 N/A PHE 318.A N ALA 314.A O no hydrogen 2.958 N/A ALA 319.A N TYR 315.A O no hydrogen 2.829 N/A SER 320.A N ILE 316.A O no hydrogen 2.884 N/A SER 320.A OG LYS 360.A O no hydrogen 2.676 N/A ALA 321.A N ASP 317.A O no hydrogen 2.883 N/A ASN 322.A N ALA 319.A O no hydrogen 3.247 N/A ASN 322.A ND2 PHE 318.A O no hydrogen 3.035 N/A GLY 323.A N SER 320.A O no hydrogen 3.180 N/A ILE 324.A N ALA 319.A O no hydrogen 2.745 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.740 N/A TYR 326.A N LYS 287.A O no hydrogen 2.872 N/A TYR 326.A OH LYS 284.A O no hydrogen 2.540 N/A VAL 327.A N GLY 363.A O no hydrogen 2.879 N/A LEU 329.A N ILE 365.A O no hydrogen 2.885 N/A ASP 330.A N ASP 291.A OD1 no hydrogen 2.946 N/A GLU 331.A N ASP 330.A OD2 no hydrogen 2.905 N/A TRP 333.A NE1 TRP 367.A O no hydrogen 2.684 N/A VAL 335.A N GLN 343.A O no hydrogen 2.772 N/A ASN 336.A ND2 ASN 226.A OD1 no hydrogen 3.554 N/A GLN 338.A N VAL 335.A O no hydrogen 3.469 N/A MET 342.A N ASP 340.A OD1 no hydrogen 2.877 N/A GLN 343.A N ASP 340.A O no hydrogen 3.190 N/A GLN 343.A NE2 GLN 338.A OE1 no hydrogen 2.775 N/A GLN 343.A NE2 ASP 340.A OD2 no hydrogen 2.850 N/A VAL 345.A N TRP 333.A O no hydrogen 3.014 N/A LYS 346.A NZ GLU 347.A OE2 no hydrogen 2.330 N/A ILE 348.A N VAL 345.A O no hydrogen 3.093 N/A ASP 349.A N ASN 309.A OD1 no hydrogen 3.044 N/A LEU 353.A N ASP 349.A O no hydrogen 2.897 N/A VAL 354.A N LEU 350.A O no hydrogen 2.629 N/A ASP 355.A N LYS 351.A O no hydrogen 3.014 N/A TYR 356.A N GLU 352.A O no hydrogen 2.814 N/A TYR 356.A OH ASP 317.A OD1 no hydrogen 2.781 N/A ALA 357.A N LEU 353.A O no hydrogen 2.804 N/A ALA 358.A N VAL 354.A O no hydrogen 2.841 N/A SER 359.A N ASP 355.A O no hydrogen 2.936 N/A SER 359.A OG TYR 356.A O no hydrogen 2.711 N/A LYS 360.A N ALA 357.A O no hydrogen 3.002 N/A LYS 360.A NZ ASP 317.A OD1 no hydrogen 2.546 N/A ASN 361.A N ALA 358.A O no hydrogen 3.092 N/A VAL 362.A N ALA 357.A O no hydrogen 2.812 N/A GLY 363.A N GLU 325.A O no hydrogen 2.864 N/A ILE 365.A N VAL 327.A O no hydrogen 2.901 N/A LEU 366.A N GLY 391.A O no hydrogen 3.012 N/A TRP 367.A N LEU 329.A O no hydrogen 2.964 N/A ALA 368.A N LYS 393.A O no hydrogen 2.870 N/A TYR 370.A N GLY 395.A O no hydrogen 2.842 N/A HIS 371.A N LEU 228.A O no hydrogen 2.961 N/A PHE 373.A N GLY 369.A O no hydrogen 3.057 N/A PHE 373.A N TYR 370.A O no hydrogen 2.998 N/A GLU 374.A N TYR 370.A O no hydrogen 2.737 N/A ARG 375.A N HIS 371.A O no hydrogen 3.068 N/A ARG 375.A NH1 ALA 339.A O no hydrogen 2.910 N/A ASN 379.A ND2 ASP 376.A OD2 no hydrogen 3.085 N/A VAL 380.A N ASP 376.A O no hydrogen 2.964 N/A CYS 381.A N MET 377.A O no hydrogen 2.894 N/A CYS 381.A SG MET 377.A O no hydrogen 3.312 N/A ARG 382.A N GLU 378.A O no hydrogen 2.936 N/A HIS 383.A N ASN 379.A O no hydrogen 2.936 N/A TYR 384.A N VAL 380.A O no hydrogen 3.022 N/A TYR 384.A OH LEU 341.A O no hydrogen 2.472 N/A ALA 385.A N CYS 381.A O no hydrogen 2.857 N/A GLU 386.A N ARG 382.A O no hydrogen 2.944 N/A MET 387.A N HIS 383.A O no hydrogen 3.215 N/A GLY 388.A N TYR 384.A O no hydrogen 3.062 N/A GLY 388.A N ALA 385.A O no hydrogen 3.083 N/A VAL 389.A N TYR 384.A O no hydrogen 3.069 N/A LYS 390.A N ILE 364.A O no hydrogen 2.950 N/A PHE 392.A N ILE 421.A O no hydrogen 2.992 N/A LYS 393.A N LEU 366.A O no hydrogen 2.937 N/A LYS 393.A NZ ASP 330.A OD1 no hydrogen 2.927 N/A VAL 394.A N ASP 423.A O no hydrogen 2.896 N/A GLY 395.A N ALA 368.A O no hydrogen 3.030 N/A ASP 398.A N GLY 426.A O no hydrogen 2.858 N/A ARG 399.A NE ASP 401.A OD2 no hydrogen 2.806 N/A ARG 399.A NH1 ASP 401.A OD1 no hydrogen 2.972 N/A ARG 399.A NH1 ASP 401.A OD2 no hydrogen 3.469 N/A ARG 399.A NH1 GLU 403.A OE1 no hydrogen 2.799 N/A ARG 399.A NH2 MET 230.A O no hydrogen 3.046 N/A GLN 402.A NE2 ASN 194.A O no hydrogen 2.992 N/A GLN 402.A NE2 LYS 241.A O no hydrogen 2.856 N/A MET 404.A N ASP 401.A O no hydrogen 3.028 N/A MET 404.A N ASP 401.A OD1 no hydrogen 3.358 N/A THR 405.A N ASP 401.A O no hydrogen 3.088 N/A THR 405.A OG1 TYR 195.A O no hydrogen 2.795 N/A THR 405.A OG1 ASP 401.A O no hydrogen 3.474 N/A THR 405.A OG1 GLN 402.A O no hydrogen 3.152 N/A ALA 406.A N GLN 402.A O no hydrogen 2.866 N/A PHE 407.A N GLU 403.A O no hydrogen 3.014 N/A ASN 408.A N MET 404.A O no hydrogen 3.074 N/A ASN 408.A ND2 HIS 428.A NE2 no hydrogen 3.454 N/A ARG 410.A N ALA 406.A O no hydrogen 2.973 N/A ARG 410.A NH2 GLU 374.A OE2 no hydrogen 3.331 N/A ALA 411.A N PHE 407.A O no hydrogen 2.737 N/A ALA 412.A N ASN 408.A O no hydrogen 2.951 N/A GLU 413.A N TYR 409.A O no hydrogen 2.955 N/A MET 414.A N ARG 410.A O no hydrogen 2.967 N/A CYS 415.A N ALA 411.A O no hydrogen 2.835 N/A CYS 415.A SG ALA 411.A O no hydrogen 3.451 N/A ALA 416.A N ALA 412.A O no hydrogen 2.843 N/A LYS 417.A N GLU 413.A O no hydrogen 2.734 N/A LYS 417.A NZ GLU 378.A OE2 no hydrogen 2.749 N/A TYR 418.A N CYS 415.A O no hydrogen 3.112 N/A TYR 418.A OH GLU 378.A OE2 no hydrogen 2.569 N/A LYS 419.A N ALA 416.A O no hydrogen 3.136 N/A LEU 420.A N CYS 415.A O no hydrogen 2.818 N/A ILE 421.A N LYS 390.A O no hydrogen 2.929 N/A LEU 422.A N ASN 439.A O no hydrogen 2.962 N/A ASP 423.A N PHE 392.A O no hydrogen 3.021 N/A LEU 424.A N ASN 442.A O no hydrogen 3.021 N/A HIS 425.A N VAL 394.A O no hydrogen 2.818 N/A HIS 425.A NE2 ASP 479.A OD1 no hydrogen 2.487 N/A GLY 426.A N GLU 444.A OE1 no hydrogen 3.231 N/A HIS 428.A ND1 LYS 429.A O no hydrogen 2.849 N/A LYS 429.A NZ GLU 189.A OE2 no hydrogen 2.579 N/A ALA 431.A N SER 475.A OG no hydrogen 2.989 N/A LEU 433.A N PRO 430.A O no hydrogen 3.284 N/A ARG 435.A N GLY 432.A O no hydrogen 2.969 N/A ARG 435.A NH2 TYR 269.A O no hydrogen 3.205 N/A THR 436.A N GLY 432.A O no hydrogen 3.388 N/A THR 436.A OG1 ALA 273.A O no hydrogen 2.675 N/A THR 436.A OG1 GLY 432.A O no hydrogen 3.437 N/A TYR 437.A N LEU 433.A O no hydrogen 2.947 N/A ASN 439.A ND2 ALA 412.A O no hydrogen 3.180 N/A ASN 439.A ND2 LEU 420.A O no hydrogen 3.081 N/A VAL 440.A N TYR 437.A O no hydrogen 2.958 N/A LEU 441.A N LEU 422.A O no hydrogen 2.952 N/A ASN 442.A ND2 MET 478.A O no hydrogen 3.036 N/A ASN 442.A ND2 PHE 520.A O no hydrogen 2.836 N/A PHE 443.A N ASN 442.A OD1 no hydrogen 2.889 N/A GLU 444.A N LEU 424.A O no hydrogen 2.787 N/A ASN 447.A N TYR 464.A OH no hydrogen 2.895 N/A LEU 449.A N TYR 480.A O no hydrogen 2.969 N/A GLN 451.A N GLY 448.A O no hydrogen 2.931 N/A MET 452.A N LEU 449.A O no hydrogen 2.988 N/A LYS 453.A N GLU 450.A O no hydrogen 2.915 N/A LYS 453.A NZ TRP 292.A O no hydrogen 3.474 N/A LYS 453.A NZ TRP 293.A O no hydrogen 2.809 N/A LYS 453.A NZ TYR 497.A O no hydrogen 2.813 N/A TRP 454.A N GLN 451.A O no hydrogen 3.316 N/A TRP 454.A NE1 GLN 451.A OE1 no hydrogen 2.980 N/A SER 455.A N GLN 451.A O no hydrogen 2.822 N/A SER 455.A OG GLN 451.A O no hydrogen 2.593 N/A SER 456.A OG SER 458.A OG no hydrogen 2.893 N/A SER 458.A N SER 456.A OG no hydrogen 3.048 N/A SER 458.A OG SER 456.A OG no hydrogen 2.893 N/A VAL 459.A N SER 456.A O no hydrogen 2.958 N/A GLN 461.A N GLN 503.A OE1 no hydrogen 2.847 N/A GLN 461.A NE2 ASN 447.A O no hydrogen 3.143 N/A GLN 461.A NE2 TYR 480.A OH no hydrogen 2.798 N/A LYS 463.A N ASP 460.A OD2 no hydrogen 2.960 N/A LYS 463.A NZ GLY 558.A O no hydrogen 2.695 N/A TYR 464.A N ASP 460.A O no hydrogen 3.086 N/A ASP 465.A N GLN 461.A O no hydrogen 2.874 N/A VAL 466.A N LYS 463.A O no hydrogen 3.174 N/A MET 467.A N TYR 464.A O no hydrogen 2.966 N/A ILE 468.A N TYR 464.A O no hydrogen 3.058 N/A PHE 470.A N MET 467.A O no hydrogen 2.965 N/A ILE 471.A N ILE 468.A O no hydrogen 3.124 N/A ARG 472.A NE GLU 444.A O no hydrogen 3.245 N/A ARG 472.A NE GLY 445.A O no hydrogen 2.920 N/A ARG 472.A NH1 GLU 444.A O no hydrogen 2.656 N/A ARG 472.A NH1 PRO 477.A O no hydrogen 2.802 N/A ARG 472.A NH2 ARG 472.A O no hydrogen 2.993 N/A ARG 472.A NH2 GLY 476.A O no hydrogen 2.907 N/A ARG 472.A NH2 PRO 477.A O no hydrogen 3.355 N/A GLN 473.A N ILE 468.A O no hydrogen 2.875 N/A GLN 473.A NE2 VAL 515.A O no hydrogen 3.204 N/A VAL 474.A N ILE 471.A O no hydrogen 2.962 N/A SER 475.A N ARG 472.A O no hydrogen 3.082 N/A GLY 476.A N GLN 473.A O no hydrogen 3.201 N/A MET 478.A N GLU 517.A O no hydrogen 2.877 N/A ASP 479.A N PHE 443.A O no hydrogen 2.700 N/A TYR 480.A OH ASP 465.A OD1 no hydrogen 2.461 N/A THR 481.A OG1 TYR 480.A O no hydrogen 2.815 N/A THR 481.A OG1 THR 481.A O no hydrogen 2.468 N/A GLN 482.A N GLN 482.A OE1 no hydrogen 3.267 N/A GLY 483.A N GLN 509.A OE1 no hydrogen 2.859 N/A ALA 484.A N GLN 509.A OE1 no hydrogen 3.156 N/A MET 485.A N ASP 525.A OD2 no hydrogen 2.979 N/A ARG 486.A NH2 PRO 500.A O no hydrogen 2.939 N/A ASN 487.A ND2 ALA 484.A O no hydrogen 2.917 N/A ASN 487.A ND2 SER 502.A OG no hydrogen 2.924 N/A ALA 488.A N SER 502.A O no hydrogen 2.828 N/A SER 489.A OG ARG 609.A O no hydrogen 3.100 N/A ASN 492.A N SER 489.A O no hydrogen 2.901 N/A TYR 493.A OH MET 452.A O no hydrogen 3.427 N/A TYR 493.A OH SER 455.A O no hydrogen 2.562 N/A SER 502.A N ARG 486.A O no hydrogen 2.860 N/A SER 502.A OG ARG 486.A O no hydrogen 3.535 N/A GLN 503.A NE2 VAL 459.A O no hydrogen 2.792 N/A GLY 504.A N ALA 488.A O no hydrogen 2.812 N/A THR 505.A N GLY 634.A O no hydrogen 3.074 N/A THR 505.A OG1 ASP 603.A OD1 no hydrogen 2.697 N/A ARG 506.A N GLY 611.A O no hydrogen 2.788 N/A ARG 506.A NE ASN 487.A OD1 no hydrogen 2.722 N/A ARG 506.A NH1 GLU 533.A OE1 no hydrogen 3.029 N/A ARG 506.A NH1 SER 536.A OG no hydrogen 3.340 N/A ARG 506.A NH2 MET 485.A O no hydrogen 2.574 N/A ARG 506.A NH2 ASN 487.A OD1 no hydrogen 3.493 N/A ARG 506.A NH2 GLU 533.A OE2 no hydrogen 3.521 N/A ARG 508.A N THR 505.A OG1 no hydrogen 3.220 N/A ARG 508.A NE ASP 465.A OD2 no hydrogen 2.814 N/A ARG 508.A NH1 THR 577.A O no hydrogen 2.971 N/A ARG 508.A NH2 THR 577.A O no hydrogen 2.939 N/A LEU 510.A N ARG 506.A O no hydrogen 3.165 N/A ALA 511.A N CYS 507.A O no hydrogen 2.841 N/A LEU 512.A N ARG 508.A O no hydrogen 3.133 N/A TYR 513.A N LEU 510.A O no hydrogen 3.191 N/A TYR 513.A OH MET 522.A O no hydrogen 2.764 N/A VAL 514.A N ALA 511.A O no hydrogen 2.899 N/A VAL 515.A N ALA 511.A O no hydrogen 2.792 N/A PHE 516.A N LEU 512.A O no hydrogen 2.868 N/A GLU 517.A N GLN 473.A OE1 no hydrogen 2.716 N/A SER 518.A OG MET 478.A O no hydrogen 2.798 N/A ASN 521.A N GLY 286.A O no hydrogen 3.000 N/A LEU 523.A N VAL 288.A O no hydrogen 2.797 N/A CYS 524.A N GLN 482.A O no hydrogen 3.189 N/A ASP 525.A N TYR 530.A OH no hydrogen 3.056 N/A THR 526.A N ASP 525.A OD1 no hydrogen 2.637 N/A SER 528.A OG ASP 299.A O no hydrogen 3.153 N/A ASN 529.A N THR 526.A OG1 no hydrogen 2.857 N/A ASN 529.A ND2 ASP 525.A OD1 no hydrogen 3.000 N/A ASN 529.A ND2 ASP 525.A OD2 no hydrogen 2.977 N/A TYR 530.A N THR 526.A O no hydrogen 3.143 N/A TYR 530.A OH GLY 483.A O no hydrogen 2.691 N/A MET 531.A N PRO 527.A O no hydrogen 2.844 N/A ARG 532.A N SER 528.A O no hydrogen 3.328 N/A ARG 532.A NH1 ASP 299.A OD1 no hydrogen 3.528 N/A ARG 532.A NH1 ASP 299.A OD2 no hydrogen 2.908 N/A ARG 532.A NH2 ASP 299.A OD1 no hydrogen 2.921 N/A ARG 532.A NH2 ASN 529.A OD1 no hydrogen 2.793 N/A GLU 533.A N TYR 530.A O no hydrogen 2.894 N/A THR 537.A N GLU 533.A O no hydrogen 3.003 N/A THR 537.A OG1 TYR 530.A O no hydrogen 2.803 N/A THR 537.A OG1 GLU 533.A O no hydrogen 2.964 N/A ALA 538.A N PRO 534.A O no hydrogen 2.975 N/A PHE 539.A N GLU 535.A O no hydrogen 3.203 N/A ILE 540.A N SER 536.A O no hydrogen 3.013 N/A ALA 541.A N THR 537.A O no hydrogen 2.748 N/A GLU 542.A N ALA 538.A O no hydrogen 3.123 N/A ILE 543.A N PHE 539.A O no hydrogen 3.254 N/A THR 545.A OG1 PRO 519.A O no hydrogen 2.736 N/A TRP 547.A N TYR 72.A O no hydrogen 2.894 N/A ASP 548.A N ARG 566.A O no hydrogen 2.869 N/A SER 550.A OG ARG 73.A O no hydrogen 2.725 N/A ILE 551.A N ALA 564.A O no hydrogen 2.794 N/A LEU 553.A N VAL 562.A O no hydrogen 2.803 N/A ASP 554.A N VAL 562.A O no hydrogen 3.435 N/A LYS 556.A N TYR 560.A O no hydrogen 2.902 N/A LYS 556.A NZ GLU 559.A OE1 no hydrogen 3.104 N/A MET 557.A N ASP 259.A OD2 no hydrogen 2.832 N/A GLY 558.A N VAL 466.A O no hydrogen 2.857 N/A GLU 559.A N LYS 556.A O no hydrogen 2.909 N/A TYR 560.A N LYS 556.A O no hydrogen 3.090 N/A TYR 560.A OH ASP 554.A OD2 no hydrogen 2.697 N/A ILE 561.A N ILE 576.A O no hydrogen 3.257 N/A VAL 562.A N ASP 554.A O no hydrogen 2.999 N/A THR 563.A N GLY 574.A O no hydrogen 2.861 N/A ALA 564.A N ILE 551.A O no hydrogen 2.898 N/A ARG 565.A N TYR 572.A O no hydrogen 2.748 N/A ARG 565.A NE VAL 514.A O no hydrogen 2.621 N/A ARG 565.A NH1 GLU 517.A OE2 no hydrogen 2.962 N/A ARG 565.A NH1 SER 550.A OG no hydrogen 2.792 N/A ARG 565.A NH2 VAL 514.A O no hydrogen 3.097 N/A ARG 565.A NH2 VAL 515.A O no hydrogen 3.315 N/A ARG 565.A NH2 GLU 517.A OE2 no hydrogen 3.336 N/A ARG 566.A N GLU 549.A O no hydrogen 2.795 N/A ARG 566.A NE GLU 549.A OE2 no hydrogen 2.941 N/A ARG 566.A NH1 GLY 568.A O no hydrogen 2.796 N/A LYS 567.A N VAL 570.A O no hydrogen 2.855 N/A LYS 567.A NZ VAL 546.A O no hydrogen 3.201 N/A GLY 568.A N ASP 548.A OD1 no hydrogen 2.892 N/A VAL 570.A N LYS 567.A O no hydrogen 3.044 N/A TRP 571.A N ILE 641.A O no hydrogen 2.960 N/A TYR 572.A N ARG 565.A O no hydrogen 2.798 N/A VAL 573.A N LEU 639.A O no hydrogen 2.772 N/A GLY 574.A N THR 563.A O no hydrogen 2.827 N/A GLY 575.A N PHE 637.A O no hydrogen 3.082 N/A ILE 576.A N ILE 561.A O no hydrogen 3.130 N/A THR 577.A N GLY 635.A O no hydrogen 3.252 N/A THR 577.A OG1 ASP 578.A OD1 no hydrogen 3.429 N/A THR 577.A OG1 SER 580.A O no hydrogen 2.889 N/A TRP 579.A NE1 ASP 460.A OD2 no hydrogen 2.961 N/A SER 580.A N ASP 578.A OD1 no hydrogen 2.927 N/A ARG 582.A N LEU 631.A O no hydrogen 2.889 N/A ARG 582.A NE THR 577.A OG1 no hydrogen 2.779 N/A ARG 582.A NH1 ASP 578.A OD1 no hydrogen 3.010 N/A ILE 584.A N VAL 629.A O no hydrogen 2.771 N/A VAL 586.A N LEU 627.A O no hydrogen 2.600 N/A CYS 588.A N GLY 625.A O no hydrogen 2.890 N/A CYS 588.A SG VAL 586.A O no hydrogen 3.634 N/A SER 589.A N ASP 587.A OD2 no hydrogen 3.051 N/A SER 589.A OG ASP 587.A OD2 no hydrogen 3.339 N/A LEU 591.A N CYS 588.A O no hydrogen 3.154 N/A TYR 596.A N ILE 621.A O no hydrogen 2.916 N/A HIS 597.A N LYS 642.A O no hydrogen 2.599 N/A ALA 598.A N PHE 619.A O no hydrogen 2.796 N/A THR 599.A N LYS 640.A O no hydrogen 2.764 N/A LEU 600.A N GLU 617.A O no hydrogen 2.821 N/A PHE 601.A N ALA 638.A O no hydrogen 2.847 N/A LYS 602.A N LYS 615.A O no hydrogen 2.929 N/A LYS 602.A NZ GLU 617.A OE1 no hydrogen 3.328 N/A GLY 604.A N ASP 613.A O no hydrogen 2.919 N/A ASN 606.A N ASP 613.A OD1 no hydrogen 3.071 N/A ALA 607.A N GLY 604.A O no hydrogen 3.018 N/A ARG 609.A N ASN 606.A O no hydrogen 2.844 N/A ALA 610.A N ASN 606.A O no hydrogen 2.845 N/A ASP 613.A N ALA 610.A O no hydrogen 3.026 N/A TYR 614.A OH GLU 535.A OE1 no hydrogen 2.463 N/A LYS 615.A N LYS 602.A O no hydrogen 2.836 N/A GLU 617.A N LEU 600.A O no hydrogen 2.907 N/A PHE 619.A N ALA 598.A O no hydrogen 3.226 N/A ILE 621.A N TYR 596.A O no hydrogen 2.723 N/A GLY 625.A N LYS 622.A O no hydrogen 2.710 N/A LEU 627.A N VAL 586.A O no hydrogen 3.009 N/A VAL 629.A N ILE 584.A O no hydrogen 2.754 N/A HIS 630.A ND1 ASP 583.A OD1 no hydrogen 2.773 N/A LEU 631.A N ARG 582.A O no hydrogen 2.680 N/A ALA 632.A N ASP 603.A OD2 no hydrogen 2.929 N/A GLY 634.A N ASP 578.A O no hydrogen 2.912 N/A GLY 635.A N ALA 632.A O no hydrogen 2.805 N/A GLY 636.A N ASP 603.A OD2 no hydrogen 2.964 N/A PHE 637.A N GLY 575.A O no hydrogen 3.025 N/A ALA 638.A N PHE 601.A O no hydrogen 2.968 N/A LEU 639.A N VAL 573.A O no hydrogen 2.693 N/A LYS 640.A N THR 599.A O no hydrogen 2.908 N/A ILE 641.A N TRP 571.A O no hydrogen 2.849 N/A LYS 642.A N HIS 597.A O no hydrogen 2.893 N/A