Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mq6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N GLU 2.A OE1 no hydrogen 2.893 N/A LYS 5.A N PRO 1.A O no hydrogen 2.672 N/A LEU 6.A N GLU 2.A O no hydrogen 2.865 N/A HIS 7.A N LEU 4.A O no hydrogen 3.131 N/A GLN 8.A N LYS 5.A O no hydrogen 2.875 N/A GLN 8.A NE2 LYS 5.A O no hydrogen 2.646 N/A LEU 9.A N LEU 6.A O no hydrogen 2.854 N/A LYS 12.A N GLN 8.A O no hydrogen 3.108 N/A LYS 12.A NZ GLU 16.A OE1 no hydrogen 2.990 N/A TYR 13.A N LEU 9.A O no hydrogen 2.724 N/A THR 14.A N SER 10.A O no hydrogen 3.017 N/A ALA 15.A N GLN 11.A O no hydrogen 3.116 N/A GLU 16.A N LYS 12.A O no hydrogen 3.025 N/A ALA 17.A N TYR 13.A O no hydrogen 2.954 N/A ALA 18.A N THR 14.A O no hydrogen 2.803 N/A LYS 19.A N ALA 15.A O no hydrogen 3.011 N/A LYS 19.A NZ GLU 16.A OE1 no hydrogen 3.344 N/A LYS 19.A NZ GLU 16.A OE2 no hydrogen 3.280 N/A LYS 19.A NZ ASP 435.A OD1 no hydrogen 3.183 N/A ARG 20.A N ALA 17.A O no hydrogen 3.078 N/A ARG 20.A NE GLU 16.A O no hydrogen 2.665 N/A ARG 20.A NH1 THR 288.A OG1 no hydrogen 3.051 N/A ARG 20.A NH2 GLU 16.A O no hydrogen 2.962 N/A PHE 21.A N ALA 18.A O no hydrogen 3.023 N/A GLY 25.A N ARG 22.A O no hydrogen 3.095 N/A LEU 26.A N GLU 593.A OE2 no hydrogen 2.608 N/A GLY 27.A N GLU 24.A O no hydrogen 2.869 N/A GLN 28.A N GLY 25.A O no hydrogen 3.395 N/A PHE 29.A N LEU 26.A O no hydrogen 3.145 N/A ILE 30.A N VAL 218.A O no hydrogen 2.890 N/A LEU 32.A N PRO 216.A O no hydrogen 2.982 N/A GLU 34.A N ARG 31.A O no hydrogen 2.912 N/A VAL 35.A N LEU 32.A O no hydrogen 3.165 N/A ARG 39.A NH2 GLY 229.A O no hydrogen 3.214 N/A PHE 40.A N ASN 37.A OD1 no hydrogen 3.090 N/A ARG 41.A N ASN 37.A O no hydrogen 3.106 N/A ARG 41.A NE LYS 33.A O no hydrogen 3.352 N/A ALA 42.A N GLU 38.A O no hydrogen 2.914 N/A LEU 43.A N PHE 40.A O no hydrogen 3.019 N/A ALA 44.A N ARG 41.A O no hydrogen 3.000 N/A GLU 45.A N ALA 42.A O no hydrogen 3.124 N/A TRP 48.A N ASP 46.A OD1 no hydrogen 2.734 N/A TRP 48.A NE1 TRP 111.A O no hydrogen 2.922 N/A VAL 49.A N ASP 46.A OD1 no hydrogen 3.172 N/A ALA 53.A N ASP 50.A OD1 no hydrogen 3.193 N/A LEU 54.A N ASP 50.A O no hydrogen 3.126 N/A ASN 55.A N HIS 51.A O no hydrogen 2.728 N/A ASN 55.A ND2 ARG 190.A O no hydrogen 2.574 N/A ALA 56.A N ALA 52.A O no hydrogen 3.143 N/A LYS 57.A N LEU 54.A O no hydrogen 3.004 N/A GLY 63.A N LYS 200.A O no hydrogen 2.855 N/A SER 64.A N LYS 61.A O no hydrogen 3.358 N/A SER 64.A OG LYS 61.A O no hydrogen 2.915 N/A ARG 65.A NE GLN 202.A OE1 no hydrogen 3.012 N/A ARG 65.A NH2 GLN 202.A OE1 no hydrogen 3.008 N/A TYR 66.A N GLN 202.A O no hydrogen 2.839 N/A LYS 67.A N ASP 94.A O no hydrogen 3.128 N/A LYS 67.A NZ LEU 89.A O no hydrogen 2.808 N/A PHE 68.A N ASP 95.A O no hydrogen 2.871 N/A ILE 69.A N TYR 205.A O no hydrogen 2.947 N/A ILE 70.A N LEU 97.A O no hydrogen 2.931 N/A LEU 71.A N LEU 207.A O no hydrogen 3.000 N/A GLY 72.A N VAL 99.A O no hydrogen 2.686 N/A ALA 73.A N ASP 100.A OD2 no hydrogen 2.831 N/A TYR 75.A OH LEU 147.A O no hydrogen 2.709 N/A LEU 78.A N GLY 74.A O no hydrogen 2.888 N/A LEU 79.A N TYR 75.A O no hydrogen 2.936 N/A TYR 80.A N GLY 76.A O no hydrogen 3.084 N/A TYR 80.A OH LEU 208.A O no hydrogen 3.049 N/A ALA 81.A N GLY 77.A O no hydrogen 2.938 N/A VAL 82.A N LEU 78.A O no hydrogen 2.785 N/A ARG 83.A N LEU 79.A O no hydrogen 2.908 N/A ARG 83.A NH1 ASP 533.A O no hydrogen 2.893 N/A ARG 83.A NH1 ASP 533.A OD1 no hydrogen 3.482 N/A ARG 83.A NH1 THR 536.A OG1 no hydrogen 2.733 N/A ARG 83.A NH2 ASP 533.A OD1 no hydrogen 2.761 N/A LEU 84.A N TYR 80.A O no hydrogen 2.848 N/A ALA 85.A N ALA 81.A O no hydrogen 2.943 N/A GLU 86.A N VAL 82.A O no hydrogen 2.954 N/A ALA 87.A N ARG 83.A O no hydrogen 2.892 N/A GLY 88.A N ALA 85.A O no hydrogen 3.084 N/A LEU 89.A N LEU 84.A O no hydrogen 2.974 N/A ASP 95.A N GLY 92.A O no hydrogen 3.282 N/A LEU 97.A N PHE 68.A O no hydrogen 3.005 N/A MET 98.A N LYS 163.A O no hydrogen 2.776 N/A VAL 99.A N ILE 70.A O no hydrogen 2.778 N/A ASP 100.A N LEU 165.A O no hydrogen 3.071 N/A ALA 102.A N ASP 100.A OD1 no hydrogen 2.948 N/A PHE 105.A N TYR 152.A OH no hydrogen 3.101 N/A GLY 106.A N ALA 73.A O no hydrogen 2.895 N/A TRP 109.A N GLY 106.A O no hydrogen 3.042 N/A TRP 109.A NE1 TYR 126.A OH no hydrogen 2.983 N/A TRP 110.A N GLY 107.A O no hydrogen 2.765 N/A TRP 110.A NE1 ASP 46.A OD1 no hydrogen 3.302 N/A TRP 110.A NE1 ASP 46.A OD2 no hydrogen 2.973 N/A TRP 111.A N GLY 107.A O no hydrogen 3.006 N/A ASN 112.A N THR 108.A O no hydrogen 3.005 N/A ASN 112.A ND2 THR 108.A O no hydrogen 2.783 N/A ARG 113.A NE TRP 110.A O no hydrogen 2.803 N/A ARG 113.A NH2 TRP 110.A O no hydrogen 3.416 N/A TYR 114.A OH GLN 270.A OE1 no hydrogen 2.712 N/A LEU 117.A N TYR 114.A O no hydrogen 3.422 N/A HIS 118.A N GLN 270.A OE1 no hydrogen 3.090 N/A HIS 118.A ND1 GLY 116.A O no hydrogen 2.658 N/A CYS 119.A N ALA 142.A O no hydrogen 2.931 N/A CYS 119.A SG.A VAL 121.A O no hydrogen 3.217 N/A CYS 119.A SG.A ALA 142.A O no hydrogen 3.648 N/A CYS 119.A SG.B VAL 121.A O no hydrogen 3.683 N/A SER 123.A N LYS 140.A O no hydrogen 2.899 N/A SER 123.A OG SER 139.A O no hydrogen 2.779 N/A SER 123.A OG LYS 140.A O no hydrogen 3.466 N/A TYR 124.A OH THR 300.A OG1 no hydrogen 2.646 N/A SER 125.A N GLU 122.A O no hydrogen 2.959 N/A SER 125.A OG GLU 122.A OE1 no hydrogen 2.801 N/A TYR 126.A N GLU 122.A O no hydrogen 2.896 N/A TYR 126.A N SER 123.A O no hydrogen 3.262 N/A MET 127.A N SER 123.A O no hydrogen 2.913 N/A LEU 130.A N GLN 316.A OE1 no hydrogen 3.221 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.760 N/A THR 133.A N LEU 129.A O no hydrogen 2.914 N/A THR 133.A OG1 LEU 129.A O no hydrogen 2.660 N/A THR 133.A OG1 LEU 130.A O no hydrogen 3.196 N/A TYR 135.A OH GLU 146.A OE2 no hydrogen 2.518 N/A LYS 138.A N GLU 146.A OE2 no hydrogen 2.944 N/A LYS 140.A N ARG 298.A O no hydrogen 2.773 N/A LYS 140.A NZ GLU 122.A OE2 no hydrogen 2.743 N/A LYS 140.A NZ VAL 339.A O no hydrogen 2.727 N/A TYR 141.A N GLN 297.A OE1 no hydrogen 3.115 N/A TYR 141.A OH ASP 341.A OD2 no hydrogen 2.452 N/A GLY 144.A N LEU 117.A O no hydrogen 3.095 N/A LEU 147.A N ALA 143.A O no hydrogen 3.078 N/A LEU 148.A N GLY 144.A O no hydrogen 2.779 N/A GLU 149.A N PRO 145.A O no hydrogen 2.942 N/A HIS 150.A N GLU 146.A O no hydrogen 3.053 N/A HIS 150.A NE2 PRO 128.A O no hydrogen 2.639 N/A ALA 151.A N LEU 147.A O no hydrogen 3.252 N/A TYR 152.A N LEU 148.A O no hydrogen 3.051 N/A ARG 153.A N GLU 149.A O no hydrogen 2.696 N/A ARG 153.A NH1 HIS 150.A ND1 no hydrogen 3.175 N/A ARG 153.A NH2 GLU 149.A OE1 no hydrogen 3.090 N/A ILE 154.A N HIS 150.A O no hydrogen 2.817 N/A ALA 155.A N ALA 151.A O no hydrogen 2.941 N/A THR 156.A N TYR 152.A O no hydrogen 2.899 N/A THR 156.A OG1 TYR 152.A O no hydrogen 2.932 N/A THR 156.A OG1 HIS 161.A NE2 no hydrogen 2.989 N/A GLN 157.A N ARG 153.A O no hydrogen 2.872 N/A GLN 157.A NE2 GLU 132.A O no hydrogen 2.982 N/A TRP 158.A N ILE 154.A O no hydrogen 3.001 N/A TRP 158.A NE1 GLU 86.A OE2 no hydrogen 2.958 N/A LYS 159.A N THR 156.A O no hydrogen 3.182 N/A LEU 160.A N ALA 155.A O no hydrogen 2.719 N/A HIS 161.A NE2 THR 156.A OG1 no hydrogen 2.989 N/A ASP 162.A N ASP 162.A OD1 no hydrogen 2.511 N/A LYS 163.A N LEU 160.A O no hydrogen 2.901 N/A LYS 163.A NZ LYS 159.A O no hydrogen 3.286 N/A LEU 165.A N MET 98.A O no hydrogen 2.727 N/A ARG 167.A N ALA 102.A O no hydrogen 2.910 N/A ARG 167.A NH1 HIS 51.A ND1 no hydrogen 3.100 N/A ARG 167.A NH1 ASN 55.A OD1 no hydrogen 2.859 N/A ARG 167.A NH2 ASN 55.A OD1 no hydrogen 2.752 N/A ARG 167.A NH2 GLU 188.A OE2 no hydrogen 3.380 N/A SER 168.A N ASP 100.A O no hydrogen 2.988 N/A SER 168.A OG PHE 166.A O no hydrogen 2.837 N/A ASN 169.A N THR 187.A O no hydrogen 2.911 N/A LYS 171.A N GLU 185.A O no hydrogen 2.805 N/A LYS 171.A NZ THR 187.A OG1 no hydrogen 3.223 N/A THR 172.A OG1 GLU 185.A OE1 no hydrogen 3.232 N/A ILE 173.A N ASP 482.A O no hydrogen 2.825 N/A ARG 174.A N SER 183.A O no hydrogen 2.833 N/A TRP 175.A N TYR 484.A O no hydrogen 2.892 N/A ASP 176.A N LEU 181.A O no hydrogen 2.867 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 3.011 N/A ARG 180.A N ASP 176.A O no hydrogen 2.737 N/A TRP 182.A N ALA 203.A O no hydrogen 2.961 N/A TRP 182.A NE1 PRO 512.A O no hydrogen 2.782 N/A SER 183.A N ARG 174.A O no hydrogen 2.815 N/A LEU 184.A N LEU 201.A O no hydrogen 2.732 N/A GLU 185.A N THR 172.A O no hydrogen 2.961 N/A VAL 186.A N LEU 199.A O no hydrogen 2.853 N/A THR 187.A N ASN 169.A O no hydrogen 2.917 N/A THR 187.A OG1 GLU 198.A OE1 no hydrogen 3.312 N/A THR 187.A OG1 GLU 198.A OE2 no hydrogen 2.921 N/A GLU 188.A N ARG 197.A O no hydrogen 2.865 N/A GLY 189.A N ARG 167.A O no hydrogen 2.930 N/A ARG 190.A NH1 GLU 188.A OE2 no hydrogen 2.836 N/A GLN 194.A N GLY 191.A O no hydrogen 3.207 N/A GLN 194.A NE2 GLY 193.A O no hydrogen 2.921 N/A ARG 197.A N GLU 188.A O no hydrogen 2.897 N/A ARG 197.A NH1 VAL 60.A O no hydrogen 2.969 N/A ARG 197.A NH1 GLU 188.A OE1 no hydrogen 2.753 N/A ARG 197.A NH2 VAL 60.A O no hydrogen 2.937 N/A LEU 199.A N VAL 186.A O no hydrogen 2.736 N/A LYS 200.A N ASP 62.A OD1 no hydrogen 2.811 N/A LEU 201.A N LEU 184.A O no hydrogen 2.957 N/A GLN 202.A N SER 64.A O no hydrogen 2.835 N/A GLN 202.A NE2 SER 183.A OG no hydrogen 3.202 N/A ALA 203.A N TRP 182.A O no hydrogen 2.938 N/A ARG 204.A N TYR 66.A O no hydrogen 3.380 N/A ARG 204.A N LYS 67.A O no hydrogen 3.048 N/A TYR 205.A N LYS 67.A O no hydrogen 3.074 N/A TYR 205.A OH GLU 547.A OE2 no hydrogen 2.624 N/A VAL 206.A N ASN 513.A O no hydrogen 2.994 N/A LEU 207.A N ILE 69.A O no hydrogen 2.857 N/A LEU 208.A N PHE 515.A O no hydrogen 2.828 N/A ALA 209.A N LEU 71.A O no hydrogen 2.781 N/A THR 214.A OG1 ASN 215.A OD1 no hydrogen 2.646 N/A GLN 217.A N GLY 464.A O no hydrogen 2.881 N/A GLN 217.A NE2 THR 463.A O no hydrogen 3.306 N/A VAL 218.A N ILE 30.A O no hydrogen 2.936 N/A LYS 220.A N GLN 28.A O no hydrogen 2.829 N/A LYS 220.A NZ GLY 27.A O no hydrogen 2.738 N/A ILE 221.A N PRO 219.A O no hydrogen 2.841 N/A LEU 224.A N ILE 221.A O no hydrogen 2.950 N/A THR 226.A N GLY 223.A O no hydrogen 3.121 N/A THR 226.A OG1 GLY 223.A O no hydrogen 2.690 N/A PHE 227.A N LEU 224.A O no hydrogen 3.247 N/A THR 228.A N PRO 444.A O no hydrogen 2.929 N/A THR 228.A OG1 PRO 444.A O no hydrogen 3.194 N/A PHE 232.A N LEU 459.A O no hydrogen 3.157 N/A HIS 233.A NE2 GLY 464.A O no hydrogen 2.848 N/A THR 234.A N LEU 461.A O no hydrogen 2.856 N/A ALA 235.A N HIS 233.A ND1 no hydrogen 3.204 N/A ARG 236.A N HIS 233.A O no hydrogen 2.943 N/A ARG 236.A NE ALA 44.A O no hydrogen 2.900 N/A ARG 236.A NH1 ALA 235.A O no hydrogen 2.959 N/A TYR 239.A OH ARG 113.A O no hydrogen 2.771 N/A ASP 240.A N ASN 238.A OD1 no hydrogen 2.916 N/A VAL 241.A N ASN 238.A O no hydrogen 3.191 N/A VAL 241.A N ASN 238.A OD1 no hydrogen 3.225 N/A THR 242.A N ASN 238.A O no hydrogen 3.240 N/A GLY 243.A N TYR 239.A O no hydrogen 2.818 N/A SER 245.A N ASP 248.A O no hydrogen 2.856 N/A THR 247.A N SER 245.A OG no hydrogen 3.018 N/A THR 247.A OG1 SER 245.A OG no hydrogen 3.294 N/A ASP 248.A N SER 245.A O no hydrogen 2.802 N/A ALA 250.A N ASP 248.A OD1 no hydrogen 2.886 N/A ARG 253.A N THR 242.A O no hydrogen 3.169 N/A ARG 253.A NH1 ASP 240.A O no hydrogen 2.410 N/A LEU 254.A N LEU 251.A O no hydrogen 2.966 N/A GLU 255.A N ASN 252.A O no hydrogen 3.104 N/A LYS 257.A N LEU 254.A O no hydrogen 2.797 N/A ARG 258.A N ASP 457.A OD2 no hydrogen 2.588 N/A ARG 258.A NH1 PRO 455.A O no hydrogen 2.294 N/A VAL 259.A N GLU 281.A O no hydrogen 3.050 N/A GLY 260.A N ILE 458.A O no hydrogen 2.906 N/A ILE 261.A N TYR 283.A O no hydrogen 2.842 N/A ILE 262.A N VAL 460.A O no hydrogen 3.012 N/A GLY 263.A N PHE 285.A O no hydrogen 2.909 N/A THR 264.A OG1 THR 288.A O no hydrogen 2.707 N/A ILE 269.A N GLY 265.A O no hydrogen 3.004 N/A GLN 270.A N ALA 266.A O no hydrogen 3.140 N/A GLN 270.A N THR 267.A O no hydrogen 3.179 N/A GLN 270.A NE2 HIS 118.A O no hydrogen 2.910 N/A VAL 271.A N THR 267.A O no hydrogen 2.933 N/A VAL 272.A N ALA 268.A O no hydrogen 2.798 N/A LYS 274.A N VAL 271.A O no hydrogen 2.845 N/A LYS 274.A NZ GLU 249.A OE1 no hydrogen 2.862 N/A LYS 274.A NZ GLU 249.A OE2 no hydrogen 3.393 N/A LEU 275.A N VAL 271.A O no hydrogen 2.973 N/A ALA 276.A N VAL 272.A O no hydrogen 3.006 N/A LYS 277.A N PRO 273.A O no hydrogen 3.259 N/A TYR 278.A N LEU 275.A O no hydrogen 3.128 N/A ALA 279.A N LEU 275.A O no hydrogen 2.911 N/A LYS 280.A N LYS 257.A O no hydrogen 2.783 N/A GLU 281.A N LYS 257.A O no hydrogen 3.217 N/A LEU 282.A N ASN 428.A O no hydrogen 2.855 N/A TYR 283.A N VAL 259.A O no hydrogen 2.911 N/A VAL 284.A N HIS 430.A O no hydrogen 2.975 N/A PHE 285.A N ILE 261.A O no hydrogen 2.717 N/A GLN 286.A N VAL 432.A O no hydrogen 3.094 N/A GLN 286.A NE2 LYS 402.A O no hydrogen 2.879 N/A GLN 286.A NE2 ASP 433.A OD1 no hydrogen 2.892 N/A SER 290.A OG THR 264.A O no hydrogen 2.614 N/A TRP 293.A N THR 415.A O no hydrogen 2.968 N/A TRP 293.A NE1 GLU 345.A OE2 no hydrogen 2.767 N/A TRP 294.A NE1 GLU 345.A OE2 no hydrogen 2.706 N/A ARG 295.A N ASP 418.A OD1 no hydrogen 2.953 N/A ARG 295.A NE ARG 295.A O no hydrogen 3.114 N/A ARG 295.A NH1 ASP 120.A O no hydrogen 2.832 N/A ARG 295.A NH2 ASP 120.A O no hydrogen 3.492 N/A GLY 296.A N ASP 418.A OD2 no hydrogen 2.653 N/A GLN 297.A NE2 TYR 141.A O no hydrogen 2.865 N/A ARG 298.A N GLN 297.A OE1 no hydrogen 2.997 N/A THR 300.A N LYS 138.A O no hydrogen 2.956 N/A THR 300.A OG1 TYR 124.A OH no hydrogen 2.646 N/A THR 300.A OG1 PRO 137.A O no hydrogen 2.509 N/A GLU 304.A N ASP 301.A OD2 no hydrogen 2.666 N/A TRP 305.A N ASP 301.A O no hydrogen 2.734 N/A THR 307.A N VAL 303.A O no hydrogen 3.188 N/A THR 307.A OG1 VAL 303.A O no hydrogen 2.698 N/A LYS 308.A N GLU 304.A O no hydrogen 2.529 N/A ILE 309.A N TRP 305.A O no hydrogen 3.348 N/A ALA 310.A N TRP 305.A O no hydrogen 2.868 N/A ARG 311.A N ILE 309.A O no hydrogen 2.695 N/A ARG 311.A NH1 LYS 308.A O no hydrogen 2.960 N/A ARG 311.A NH1 GLU 336.A OE1 no hydrogen 3.453 N/A ARG 311.A NH1 GLU 336.A OE2 no hydrogen 3.161 N/A ARG 311.A NH2 GLU 336.A OE1 no hydrogen 2.735 N/A LYS 312.A NZ GLU 318.A OE2 no hydrogen 3.226 N/A GLY 314.A N GLU 131.A OE1 no hydrogen 2.759 N/A GLN 316.A NE2 TYR 124.A O no hydrogen 2.852 N/A GLN 316.A NE2 MET 127.A O no hydrogen 2.629 N/A ARG 317.A NE ASP 533.A OD2 no hydrogen 2.813 N/A ARG 317.A NH2 ASP 533.A OD1 no hydrogen 2.856 N/A ARG 317.A NH2 ASP 533.A OD2 no hydrogen 3.521 N/A ARG 317.A NH2 GLU 537.A OE1 no hydrogen 3.151 N/A ARG 319.A N TRP 315.A O no hydrogen 2.967 N/A ARG 319.A NE GLU 122.A OE1 no hydrogen 2.835 N/A ARG 319.A NH1 GLU 122.A OE1 no hydrogen 3.444 N/A ARG 319.A NH1 GLU 122.A OE2 no hydrogen 2.709 N/A MET 320.A N GLN 316.A O no hydrogen 2.947 N/A LEU 321.A N ARG 317.A O no hydrogen 3.064 N/A ASN 322.A N GLU 318.A O no hydrogen 2.935 N/A ASN 322.A ND2 GLU 336.A O no hydrogen 2.953 N/A LEU 323.A N ARG 319.A O no hydrogen 2.990 N/A ASP 324.A N MET 320.A O no hydrogen 2.970 N/A SER 325.A N LEU 321.A O no hydrogen 2.925 N/A SER 325.A N ASN 322.A O no hydrogen 3.216 N/A SER 325.A OG ASN 322.A O no hydrogen 2.590 N/A TYR 326.A N LEU 323.A O no hydrogen 3.114 N/A TYR 326.A OH GLU 336.A O no hydrogen 3.250 N/A THR 328.A N ASP 324.A O no hydrogen 2.972 N/A THR 328.A OG1 ASP 324.A O no hydrogen 2.936 N/A THR 328.A OG1 SER 325.A O no hydrogen 3.498 N/A ASP 329.A N TYR 326.A O no hydrogen 3.464 N/A ALA 330.A N SER 325.A O no hydrogen 2.727 N/A GLU 332.A N GLN 335.A OE1 no hydrogen 3.021 N/A GLN 335.A N GLU 332.A O no hydrogen 2.896 N/A GLN 335.A NE2 SER 325.A OG no hydrogen 2.837 N/A GLN 335.A NE2 TYR 326.A OH no hydrogen 3.098 N/A ASN 337.A ND2 THR 344.A OG1 no hydrogen 3.091 N/A MET 338.A N ASN 322.A OD1 no hydrogen 2.868 N/A ALA 340.A N ASN 337.A OD1 no hydrogen 2.771 N/A TRP 343.A N ASP 341.A OD1 no hydrogen 3.034 N/A TRP 343.A NE1 ASP 120.A O no hydrogen 2.740 N/A THR 344.A N ASP 341.A O no hydrogen 3.006 N/A THR 344.A OG1 ASP 341.A O no hydrogen 2.625 N/A GLU 345.A N GLY 342.A O no hydrogen 3.401 N/A PHE 349.A N MET 346.A O no hydrogen 2.853 N/A SER 350.A N PRO 347.A O no hydrogen 3.330 N/A SER 350.A OG PRO 347.A O no hydrogen 2.697 N/A ALA 351.A N ALA 348.A O no hydrogen 2.955 N/A VAL 352.A N PHE 349.A O no hydrogen 2.949 N/A ILE 353.A N PHE 349.A O no hydrogen 3.330 N/A GLY 354.A N SER 350.A O no hydrogen 2.814 N/A SER 355.A N SER 608.A O no hydrogen 2.877 N/A SER 355.A OG THR 328.A O no hydrogen 2.643 N/A SER 355.A OG ASP 329.A O no hydrogen 3.460 N/A ARG 357.A N SER 355.A OG no hydrogen 3.254 N/A HIS 358.A NE2 ASP 329.A OD2 no hydrogen 2.705 N/A LYS 367.A N THR 364.A OG1 no hydrogen 3.151 N/A LYS 367.A NZ GLU 370.A OE2 no hydrogen 3.503 N/A ILE 368.A N THR 364.A O no hydrogen 3.018 N/A ALA 369.A N PRO 365.A O no hydrogen 3.072 N/A GLU 370.A N GLU 366.A O no hydrogen 3.208 N/A HIS 371.A N LYS 367.A O no hydrogen 3.124 N/A HIS 371.A NE2 TRP 576.A O no hydrogen 2.859 N/A LEU 372.A N ILE 368.A O no hydrogen 2.832 N/A GLY 373.A N ALA 369.A O no hydrogen 2.838 N/A ARG 374.A N GLU 370.A O no hydrogen 2.954 N/A LEU 375.A N HIS 371.A O no hydrogen 3.065 N/A TYR 376.A N LEU 372.A O no hydrogen 2.890 N/A LYS 377.A N GLY 373.A O no hydrogen 3.015 N/A LEU 378.A N ARG 374.A O no hydrogen 2.773 N/A ASP 379.A N LEU 375.A O no hydrogen 2.969 N/A LEU 380.A N TYR 376.A O no hydrogen 3.143 N/A ALA 383.A N ASP 379.A O no hydrogen 2.922 N/A GLU 384.A N LEU 380.A O no hydrogen 2.959 N/A GLN 385.A N PRO 381.A O no hydrogen 3.063 N/A VAL 386.A N HIS 382.A O no hydrogen 2.925 N/A ARG 387.A N ALA 383.A O no hydrogen 3.320 N/A ARG 387.A NE ALA 405.A O no hydrogen 3.241 N/A ARG 387.A NH1 GLU 384.A OE1 no hydrogen 2.886 N/A ARG 387.A NH2 TYR 13.A OH no hydrogen 2.549 N/A ARG 387.A NH2 ALA 405.A O no hydrogen 3.384 N/A ALA 388.A N GLU 384.A O no hydrogen 3.052 N/A ARG 389.A N GLN 385.A O no hydrogen 2.935 N/A ARG 389.A NH1 SER 417.A O no hydrogen 3.512 N/A ARG 389.A NH1 ASP 418.A OD1 no hydrogen 3.539 N/A ARG 389.A NH2 VAL 292.A O no hydrogen 3.263 N/A ARG 389.A NH2 SER 417.A O no hydrogen 2.837 N/A THR 390.A N VAL 386.A O no hydrogen 3.172 N/A THR 390.A OG1 VAL 386.A O no hydrogen 3.263 N/A ASP 391.A N ARG 387.A O no hydrogen 2.805 N/A SER 392.A N ALA 388.A O no hydrogen 2.873 N/A SER 392.A OG ALA 388.A O no hydrogen 3.458 N/A SER 392.A OG ARG 389.A O no hydrogen 2.608 N/A ILE 393.A N ARG 389.A O no hydrogen 3.130 N/A ILE 393.A N THR 390.A O no hydrogen 3.252 N/A VAL 394.A N THR 390.A O no hydrogen 3.146 N/A LYS 395.A N ASN 425.A OD1 no hydrogen 2.980 N/A LYS 398.A N ASP 396.A OD1 no hydrogen 2.968 N/A ALA 400.A N ASP 396.A O no hydrogen 2.852 N/A ALA 401.A N PRO 397.A O no hydrogen 3.011 N/A LYS 402.A N LYS 398.A O no hydrogen 3.316 N/A LEU 403.A N THR 399.A O no hydrogen 3.095 N/A LEU 403.A N ALA 400.A O no hydrogen 3.209 N/A LYS 404.A NZ ASP 391.A OD2 no hydrogen 2.282 N/A TYR 407.A OH PRO 289.A O no hydrogen 2.796 N/A THR 409.A N ASP 379.A OD2 no hydrogen 2.983 N/A THR 409.A OG1 ASP 379.A OD1 no hydrogen 2.553 N/A THR 409.A OG1 ASP 379.A OD2 no hydrogen 3.167 N/A TRP 410.A NE1 SER 579.A O no hydrogen 2.911 N/A CYS 411.A N PRO 408.A O no hydrogen 3.034 N/A LYS 412.A NZ PRO 585.A O no hydrogen 2.896 N/A ARG 413.A NE ASP 120.A OD2 no hydrogen 2.767 N/A ARG 413.A NH1 ALA 526.A O no hydrogen 3.022 N/A ARG 413.A NH2 ASP 120.A OD1 no hydrogen 2.911 N/A ARG 413.A NH2 ASP 120.A OD2 no hydrogen 3.352 N/A ARG 413.A NH2 ALA 526.A O no hydrogen 3.083 N/A THR 415.A OG1 GLY 291.A O no hydrogen 3.121 N/A SER 417.A N TRP 293.A O no hydrogen 2.901 N/A GLU 419.A N SER 417.A OG no hydrogen 3.150 N/A TYR 420.A N SER 417.A OG no hydrogen 2.992 N/A GLN 422.A N GLN 422.A OE1 no hydrogen 2.719 N/A THR 423.A N GLU 419.A O no hydrogen 3.179 N/A THR 423.A N TYR 420.A O no hydrogen 3.188 N/A THR 423.A OG1 GLU 419.A O no hydrogen 2.735 N/A PHE 424.A N LEU 421.A O no hydrogen 3.008 N/A ASN 425.A N GLN 422.A O no hydrogen 2.894 N/A ASN 425.A ND2 ILE 393.A O no hydrogen 2.845 N/A LEU 426.A N THR 423.A O no hydrogen 2.987 N/A ASN 428.A ND2 ALA 276.A O no hydrogen 3.190 N/A ASN 428.A ND2 ALA 279.A O no hydrogen 3.234 N/A ASN 428.A ND2 LYS 280.A O no hydrogen 3.636 N/A VAL 429.A N LEU 426.A O no hydrogen 3.214 N/A HIS 430.A N LEU 282.A O no hydrogen 2.917 N/A HIS 430.A NE2 GLU 281.A OE1 no hydrogen 3.128 N/A VAL 432.A N VAL 284.A O no hydrogen 2.821 N/A THR 434.A N GLN 286.A O no hydrogen 2.889 N/A THR 434.A OG1 GLN 286.A O no hydrogen 2.705 N/A ASP 435.A N ASP 433.A OD2 no hydrogen 2.796 N/A LYS 437.A N THR 434.A O no hydrogen 2.747 N/A LYS 437.A NZ ASP 440.A OD1 no hydrogen 2.880 N/A GLY 438.A N THR 434.A OG1 no hydrogen 2.743 N/A ASP 440.A N VAL 448.A O no hydrogen 2.938 N/A ALA 442.A N PRO 222.A O no hydrogen 2.809 N/A ASN 443.A N GLY 446.A O no hydrogen 2.785 N/A SER 445.A OG GLU 453.A OE1 no hydrogen 3.118 N/A GLY 446.A N ASN 443.A OD1 no hydrogen 3.333 N/A LEU 447.A N TYR 454.A O no hydrogen 2.928 N/A VAL 448.A N ALA 441.A O no hydrogen 2.984 N/A VAL 449.A N LYS 452.A O no hydrogen 2.930 N/A ALA 450.A N ASP 440.A OD2 no hydrogen 2.523 N/A LYS 452.A N VAL 449.A O no hydrogen 2.826 N/A TYR 454.A N LEU 447.A O no hydrogen 2.754 N/A LEU 456.A N SER 445.A O no hydrogen 2.724 N/A ASP 457.A N ARG 258.A O no hydrogen 2.725 N/A ILE 458.A N ARG 258.A O no hydrogen 3.267 N/A LEU 459.A N PRO 230.A O no hydrogen 2.853 N/A VAL 460.A N GLY 260.A O no hydrogen 2.791 N/A LEU 461.A N PHE 232.A O no hydrogen 2.839 N/A SER 462.A N ILE 262.A O no hydrogen 3.020 N/A THR 463.A OG1 GLN 217.A O no hydrogen 3.031 N/A TYR 465.A OH ASN 112.A OD1 no hydrogen 2.705 N/A VAL 466.A N ASN 215.A O no hydrogen 2.853 N/A THR 467.A OG1 TYR 587.A O no hydrogen 2.942 N/A SER 469.A N THR 467.A OG1 no hydrogen 3.216 N/A ILE 470.A N THR 467.A O no hydrogen 3.176 N/A GLY 473.A N SER 469.A O no hydrogen 3.100 N/A GLY 473.A N ILE 470.A O no hydrogen 3.157 N/A SER 474.A N GLY 471.A O no hydrogen 3.072 N/A SER 474.A OG ASP 492.A OD1 no hydrogen 2.602 N/A ALA 476.A N SER 474.A OG no hydrogen 3.224 N/A VAL 477.A N SER 474.A OG no hydrogen 3.322 N/A ARG 478.A N SER 474.A O no hydrogen 2.984 N/A ARG 478.A NH1 GLY 473.A O no hydrogen 3.027 N/A THR 479.A N PRO 475.A O no hydrogen 3.196 N/A GLY 480.A N ALA 476.A O no hydrogen 2.833 N/A GLY 480.A N VAL 477.A O no hydrogen 3.071 N/A VAL 481.A N ALA 476.A O no hydrogen 3.072 N/A ASP 482.A N LYS 171.A O no hydrogen 2.857 N/A TYR 484.A N ILE 173.A O no hydrogen 2.767 N/A GLY 485.A N LYS 489.A O no hydrogen 2.766 N/A ARG 486.A N GLY 510.A O no hydrogen 2.859 N/A ARG 486.A NE GLU 557.A OE1 no hydrogen 2.994 N/A GLY 487.A N ASP 177.A OD2 no hydrogen 3.146 N/A GLY 488.A N GLY 485.A O no hydrogen 2.937 N/A LYS 489.A N ARG 486.A O no hydrogen 3.211 N/A LEU 491.A N ILE 483.A O no hydrogen 2.755 N/A ASP 493.A N SER 490.A OG no hydrogen 3.173 N/A LYS 494.A N SER 490.A O no hydrogen 3.029 N/A LYS 494.A NZ SER 508.A OG no hydrogen 2.873 N/A LYS 494.A NZ ASN 509.A O no hydrogen 2.734 N/A LYS 494.A NZ GLU 563.A OE1 no hydrogen 3.199 N/A LYS 494.A NZ GLU 563.A OE2 no hydrogen 2.649 N/A TRP 495.A N LEU 491.A O no hydrogen 2.886 N/A TRP 495.A NE1 GLY 472.A O no hydrogen 2.986 N/A GLN 496.A N ASP 492.A O no hydrogen 2.900 N/A GLN 496.A NE2 GLY 471.A O no hydrogen 2.835 N/A GLN 496.A NE2 ASP 492.A OD1 no hydrogen 2.799 N/A THR 497.A N ASP 493.A O no hydrogen 2.883 N/A THR 497.A OG1 ASP 493.A O no hydrogen 2.681 N/A THR 497.A OG1 LYS 494.A O no hydrogen 3.365 N/A HIS 498.A N LYS 494.A O no hydrogen 2.811 N/A HIS 498.A NE2 GLU 564.A OE1 no hydrogen 2.838 N/A THR 502.A OG1 GLN 521.A OE1 no hydrogen 2.465 N/A LEU 503.A N CYS 507.A O no hydrogen 3.217 N/A GLY 505.A N THR 502.A OG1 no hydrogen 3.059 N/A VAL 506.A N LEU 503.A O no hydrogen 3.137 N/A CYS 507.A SG LEU 503.A O no hydrogen 3.973 N/A SER 508.A OG ALA 501.A O no hydrogen 2.659 N/A SER 508.A OG GLU 563.A OE1 no hydrogen 3.272 N/A ASN 509.A N GLU 563.A OE1 no hydrogen 2.730 N/A ASN 509.A ND2 VAL 558.A O no hydrogen 2.758 N/A GLY 510.A N GLU 557.A OE2 no hydrogen 2.712 N/A PHE 511.A N SER 508.A O no hydrogen 3.215 N/A ASN 513.A N VAL 556.A O no hydrogen 2.929 N/A ASN 513.A ND2 ARG 204.A O no hydrogen 3.046 N/A ASN 513.A ND2 ALA 554.A O no hydrogen 2.895 N/A PHE 515.A N VAL 206.A O no hydrogen 3.042 N/A PHE 516.A N VAL 506.A O no hydrogen 2.861 N/A THR 517.A N LEU 208.A O no hydrogen 3.195 N/A SER 520.A OG GLY 473.A O no hydrogen 3.514 N/A SER 520.A OG SER 604.A O no hydrogen 3.423 N/A GLN 521.A N GLY 605.A O no hydrogen 2.728 N/A GLN 521.A NE2 SER 567.A OG no hydrogen 3.222 N/A GLN 521.A NE2 ARG 603.A O no hydrogen 2.839 N/A SER 522.A N ASN 606.A OD1 no hydrogen 2.991 N/A SER 522.A OG LEU 519.A O no hydrogen 2.843 N/A SER 522.A OG SER 523.A O no hydrogen 3.296 N/A ALA 525.A N THR 531.A OG1 no hydrogen 3.181 N/A ASN 527.A ND2 SER 125.A O no hydrogen 3.091 N/A ASN 528.A ND2 ALA 525.A O no hydrogen 3.437 N/A ALA 529.A N ASN 527.A OD1 no hydrogen 3.164 N/A PHE 530.A N ASN 527.A O no hydrogen 2.977 N/A LEU 532.A N ASN 528.A O no hydrogen 3.038 N/A ASP 533.A N ALA 529.A O no hydrogen 2.932 N/A VAL 534.A N PHE 530.A O no hydrogen 2.931 N/A GLY 535.A N THR 531.A O no hydrogen 2.807 N/A THR 536.A N LEU 532.A O no hydrogen 2.869 N/A THR 536.A OG1 LEU 532.A O no hydrogen 2.813 N/A THR 536.A OG1 ASP 533.A O no hydrogen 3.419 N/A GLU 537.A N ASP 533.A O no hydrogen 3.045 N/A HIS 538.A N VAL 534.A O no hydrogen 3.001 N/A ILE 539.A N GLY 535.A O no hydrogen 3.043 N/A VAL 540.A N THR 536.A O no hydrogen 2.933 N/A GLN 541.A N GLU 537.A O no hydrogen 2.932 N/A VAL 542.A N HIS 538.A O no hydrogen 2.915 N/A ILE 543.A N ILE 539.A O no hydrogen 2.975 N/A LYS 544.A N VAL 540.A O no hydrogen 2.747 N/A LYS 544.A NZ ASP 548.A OD2 no hydrogen 3.375 N/A THR 545.A N GLN 541.A O no hydrogen 2.941 N/A THR 545.A OG1 GLN 541.A O no hydrogen 2.869 N/A ALA 546.A N VAL 542.A O no hydrogen 2.954 N/A GLU 547.A N ILE 543.A O no hydrogen 2.760 N/A ASP 548.A N LYS 544.A O no hydrogen 2.815 N/A ARG 549.A N THR 545.A O no hydrogen 2.891 N/A ARG 549.A NH1 GLY 625.A O no hydrogen 2.878 N/A ARG 549.A NH1 SER 626.A O no hydrogen 3.115 N/A VAL 550.A N ALA 546.A O no hydrogen 3.054 N/A ASP 551.A N ASP 548.A O no hydrogen 3.228 N/A GLY 552.A N GLU 547.A O no hydrogen 2.815 N/A ASP 553.A N GLU 547.A OE1 no hydrogen 2.679 N/A ALA 554.A N GLU 547.A OE2 no hydrogen 2.753 N/A LEU 555.A N SER 633.A O no hydrogen 2.905 N/A VAL 556.A N ASN 513.A OD1 no hydrogen 2.799 N/A GLU 557.A N ASP 631.A O no hydrogen 3.027 N/A THR 559.A N GLY 629.A O no hydrogen 2.893 N/A THR 559.A OG1 GLY 629.A O no hydrogen 3.245 N/A ALA 562.A N THR 559.A OG1 no hydrogen 3.141 N/A GLU 563.A N THR 559.A O no hydrogen 3.110 N/A GLU 564.A N SER 560.A O no hydrogen 2.939 N/A ALA 565.A N GLU 561.A O no hydrogen 3.065 N/A TRP 566.A N ALA 562.A O no hydrogen 3.071 N/A TRP 566.A NE1 GLN 521.A O no hydrogen 2.942 N/A SER 567.A N GLU 563.A O no hydrogen 2.901 N/A SER 567.A OG ALA 500.A O no hydrogen 3.409 N/A SER 567.A OG GLU 563.A O no hydrogen 2.525 N/A PHE 568.A N GLU 564.A O no hydrogen 3.002 N/A GLU 569.A N ALA 565.A O no hydrogen 2.907 N/A ILE 570.A N TRP 566.A O no hydrogen 2.842 N/A MET 571.A N SER 567.A O no hydrogen 3.054 N/A LYS 572.A N PHE 568.A O no hydrogen 3.160 N/A LYS 572.A NZ GLU 569.A OE1 no hydrogen 2.816 N/A HIS 573.A N ILE 570.A O no hydrogen 2.867 N/A HIS 573.A ND1 SER 608.A OG no hydrogen 2.770 N/A HIS 573.A NE2 GLU 569.A OE2 no hydrogen 2.853 N/A ALA 574.A N MET 571.A O no hydrogen 3.138 N/A TRP 576.A N HIS 573.A O no hydrogen 3.227 N/A TRP 576.A NE1 SER 350.A O no hydrogen 2.906 N/A PHE 577.A N ALA 574.A O no hydrogen 2.850 N/A ALA 578.A N GLY 575.A O no hydrogen 3.208 N/A SER 579.A N TRP 576.A O no hydrogen 3.357 N/A SER 579.A OG ALA 351.A O no hydrogen 2.779 N/A SER 579.A OG TRP 576.A O no hydrogen 3.415 N/A VAL 580.A N PHE 577.A O no hydrogen 2.946 N/A THR 581.A N ALA 578.A O no hydrogen 2.918 N/A THR 581.A OG1 ALA 578.A O no hydrogen 2.698 N/A CYS 583.A N VAL 580.A O no hydrogen 3.065 N/A THR 589.A N GLY 586.A O no hydrogen 3.201 N/A THR 589.A OG1 GLY 586.A O no hydrogen 3.569 N/A SER 590.A N TYR 587.A O no hydrogen 3.135 N/A GLU 591.A N GLY 586.A O no hydrogen 3.014 N/A GLY 592.A N THR 589.A OG1 no hydrogen 2.943 N/A GLU 593.A N SER 590.A O no hydrogen 3.035 N/A ALA 594.A N THR 589.A O no hydrogen 2.975 N/A ALA 599.A N MET 596.A O no hydrogen 2.923 N/A LYS 600.A N MET 596.A O no hydrogen 3.303 N/A LYS 600.A NZ GLN 496.A O no hydrogen 2.697 N/A LYS 600.A NZ THR 497.A O no hydrogen 3.281 N/A ARG 601.A N GLU 597.A O no hydrogen 2.971 N/A ARG 601.A NH1 GLU 597.A OE1 no hydrogen 3.138 N/A ALA 602.A N MET 598.A O no hydrogen 2.837 N/A ARG 603.A N ALA 599.A O no hydrogen 2.987 N/A ARG 603.A N LYS 600.A O no hydrogen 3.271 N/A ARG 603.A NE ALA 500.A O no hydrogen 2.747 N/A ARG 603.A NH1 GLU 564.A OE2 no hydrogen 2.849 N/A ARG 603.A NH2 ALA 500.A O no hydrogen 3.007 N/A ARG 603.A NH2 GLU 564.A OE1 no hydrogen 2.994 N/A SER 604.A N ARG 601.A O no hydrogen 3.069 N/A SER 604.A OG ARG 601.A O no hydrogen 3.176 N/A GLY 605.A N ALA 602.A O no hydrogen 3.194 N/A LEU 607.A N SER 522.A O no hydrogen 2.806 N/A SER 608.A N HIS 573.A ND1 no hydrogen 3.108 N/A SER 608.A OG HIS 573.A ND1 no hydrogen 2.770 N/A GLN 609.A NE2 GLY 359.A O no hydrogen 2.947 N/A GLN 609.A NE2 SER 608.A OG no hydrogen 3.047 N/A TYR 614.A N GLY 610.A O no hydrogen 3.162 N/A TYR 614.A OH HIS 504.A O no hydrogen 2.478 N/A MET 615.A N MET 611.A O no hydrogen 2.836 N/A LYS 616.A N ALA 612.A O no hydrogen 2.925 N/A LEU 617.A N SER 613.A O no hydrogen 3.006 N/A LEU 618.A N TYR 614.A O no hydrogen 2.915 N/A GLN 619.A N MET 615.A O no hydrogen 3.004 N/A GLU 620.A N LYS 616.A O no hydrogen 2.907 N/A TYR 621.A N LEU 617.A O no hydrogen 3.002 N/A TYR 621.A OH LYS 628.A O no hydrogen 2.667 N/A ARG 622.A N LEU 618.A O no hydrogen 2.992 N/A ARG 622.A N GLN 619.A O no hydrogen 3.202 N/A ARG 622.A NH2 HIS 538.A ND1 no hydrogen 3.021 N/A ALA 623.A N GLU 620.A O no hydrogen 3.334 N/A GLY 625.A N ARG 622.A O no hydrogen 3.242 N/A SER 626.A N ASP 624.A OD1 no hydrogen 2.887 N/A SER 626.A OG ASP 624.A OD1 no hydrogen 2.528 N/A PHE 630.A N LEU 627.A O no hydrogen 2.890 N/A ASP 631.A N GLU 557.A O no hydrogen 2.778 N/A SER 633.A N LEU 555.A O no hydrogen 3.161 N/A SER 634.A OG ALA 636.A OXT no hydrogen 2.516 N/A ARG 635.A N ASP 553.A O no hydrogen 2.826 N/A ARG 635.A NE ASP 553.A OD1 no hydrogen 2.705 N/A ARG 635.A NH1 ARG 180.A O no hydrogen 2.919 N/A ARG 635.A NH2 ASP 553.A OD2 no hydrogen 3.105 N/A