Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kv9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLY 117.A O no hydrogen 3.125 N/A ALA 7.A N ASP 4.A OD2 no hydrogen 2.837 N/A ILE 8.A N ASP 4.A O no hydrogen 3.076 N/A ARG 9.A N GLU 5.A O no hydrogen 2.914 N/A ARG 9.A NH2 GLU 240.A OE1 no hydrogen 2.760 N/A ALA 10.A N ALA 6.A O no hydrogen 2.963 N/A THR 11.A OG1 ILE 8.A O no hydrogen 2.670 N/A GLU 12.A N ARG 9.A O no hydrogen 3.010 N/A GLN 13.A N ALA 10.A O no hydrogen 3.156 N/A ALA 14.A N ALA 10.A O no hydrogen 3.170 N/A TRP 18.A N PHE 64.A O no hydrogen 3.168 N/A TRP 18.A NE1 HIS 21.A O no hydrogen 3.171 N/A ARG 23.A N SER 20.A O no hydrogen 2.733 N/A ARG 23.A NH1 THR 11.A O no hydrogen 2.805 N/A ARG 23.A NH2 THR 11.A O no hydrogen 3.170 N/A ARG 23.A NH2 ALA 14.A O no hydrogen 2.977 N/A THR 24.A N GLY 22.A O no hydrogen 2.858 N/A TYR 25.A OH VAL 160.A O no hydrogen 2.596 N/A GLU 27.A N THR 24.A O no hydrogen 2.846 N/A GLN 28.A NE2 LEU 304.A O no hydrogen 2.883 N/A ARG 29.A N GLY 22.A O no hydrogen 3.240 N/A ARG 29.A NH1 THR 61.A OG1 no hydrogen 3.105 N/A ARG 29.A NH2 THR 61.A OG1 no hydrogen 2.955 N/A SER 31.A N SER 466.A O no hydrogen 2.851 N/A LEU 33.A N SER 31.A OG no hydrogen 3.173 N/A GLN 35.A NE2 GLY 512.A O no hydrogen 3.036 N/A ALA 38.A N GLY 469.A O no hydrogen 2.941 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.956 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.573 N/A ASN 40.A N ASP 37.A O no hydrogen 3.079 N/A ASN 40.A N ASP 37.A OD1 no hydrogen 3.131 N/A VAL 41.A N ASP 37.A O no hydrogen 2.857 N/A SER 43.A N ASN 40.A O no hydrogen 2.900 N/A LEU 44.A N VAL 41.A O no hydrogen 2.921 N/A GLY 45.A N ALA 549.A O no hydrogen 3.074 N/A ALA 47.A N VAL 547.A O no hydrogen 2.722 N/A TRP 48.A N VAL 547.A O no hydrogen 3.202 N/A MET 50.A N LEU 545.A O no hydrogen 2.984 N/A LEU 52.A N SER 543.A O no hydrogen 3.197 N/A ASP 53.A N ASP 53.A OD2 no hydrogen 2.564 N/A ASN 54.A ND2 SER 74.A OG no hydrogen 2.905 N/A ASN 54.A ND2 SER 543.A OG no hydrogen 3.040 N/A ARG 56.A NE ASP 107.A OD1 no hydrogen 2.701 N/A ARG 56.A NH2 ASP 107.A OD1 no hydrogen 2.825 N/A GLY 57.A N ASP 107.A OD2 no hydrogen 2.916 N/A LEU 58.A N GLY 521.A O no hydrogen 2.892 N/A THR 61.A N ARG 111.A O no hydrogen 3.106 N/A LEU 63.A N TYR 70.A O no hydrogen 2.887 N/A PHE 64.A N TRP 18.A O no hydrogen 2.877 N/A HIS 65.A N VAL 68.A O no hydrogen 2.973 N/A HIS 65.A ND1 GLU 17.A OE2 no hydrogen 2.945 N/A ASP 66.A N GLU 17.A OE1 no hydrogen 2.868 N/A VAL 68.A N HIS 65.A O no hydrogen 3.037 N/A ILE 69.A N VAL 81.A O no hydrogen 2.795 N/A TYR 70.A N LEU 63.A O no hydrogen 2.829 N/A THR 71.A N ILE 79.A O no hydrogen 3.114 N/A SER 72.A OG ASN 110.A O no hydrogen 3.391 N/A SER 72.A OG ASN 110.A OD1 no hydrogen 2.683 N/A MET 73.A N ARG 77.A O no hydrogen 2.753 N/A SER 74.A N ASN 54.A OD1 no hydrogen 2.728 N/A SER 74.A OG ASN 54.A OD1 no hydrogen 2.988 N/A SER 74.A OG GLY 57.A O no hydrogen 2.910 N/A TRP 75.A N ALA 108.A O no hydrogen 2.922 N/A ARG 77.A NE SER 74.A O no hydrogen 3.064 N/A ARG 77.A NH1 ASP 53.A O no hydrogen 3.145 N/A ARG 77.A NH1 ASP 53.A OD1 no hydrogen 3.081 N/A ARG 77.A NH2 ASP 53.A O no hydrogen 2.972 N/A ARG 77.A NH2 SER 74.A O no hydrogen 3.554 N/A VAL 78.A N TYR 92.A O no hydrogen 2.832 N/A ILE 79.A N THR 71.A O no hydrogen 3.019 N/A ALA 80.A N TRP 90.A O no hydrogen 2.957 N/A VAL 81.A N ILE 69.A O no hydrogen 2.740 N/A ASP 82.A N LYS 87.A O no hydrogen 2.883 N/A ALA 83.A N GLY 67.A O no hydrogen 3.003 N/A ALA 84.A N ASP 82.A OD1 no hydrogen 2.783 N/A SER 85.A N ASP 82.A OD1 no hydrogen 2.857 N/A GLY 86.A N ASP 82.A O no hydrogen 2.627 N/A LYS 87.A N SER 85.A OG no hydrogen 3.162 N/A LEU 89.A N ALA 80.A O no hydrogen 2.714 N/A TRP 90.A NE1 ALA 134.A O no hydrogen 2.769 N/A ARG 91.A NE GLU 88.A OE1 no hydrogen 3.002 N/A ARG 91.A NH1 ASP 53.A OD1 no hydrogen 2.849 N/A ARG 91.A NH1 ASP 53.A OD2 no hydrogen 3.267 N/A ARG 91.A NH2 ASP 53.A OD2 no hydrogen 2.955 N/A ARG 91.A NH2 GLU 88.A OE2 no hydrogen 3.205 N/A TYR 92.A N VAL 78.A O no hydrogen 2.630 N/A GLU 95.A N ASP 93.A OD2 no hydrogen 2.796 N/A LYS 100.A N ALA 97.A O no hydrogen 2.832 N/A LYS 100.A NZ THR 103.A OG1 no hydrogen 2.803 N/A LYS 100.A NZ TYR 152.A O no hydrogen 2.644 N/A ALA 101.A N LYS 98.A O no hydrogen 3.200 N/A ARG 102.A N VAL 99.A O no hydrogen 2.935 N/A ARG 102.A NH1 ASP 638.A OD1 no hydrogen 3.330 N/A ARG 102.A NH1 ASP 638.A OD2 no hydrogen 3.125 N/A ARG 102.A NH2 LYS 417.A O no hydrogen 3.147 N/A ARG 102.A NH2 ASP 638.A OD1 no hydrogen 3.001 N/A ARG 102.A NH2 SER 639.A OG no hydrogen 3.310 N/A THR 103.A N LYS 100.A O no hydrogen 2.978 N/A THR 103.A OG1 LYS 100.A O no hydrogen 3.265 N/A SER 104.A N ALA 101.A O no hydrogen 3.138 N/A SER 104.A OG LYS 100.A O no hydrogen 3.100 N/A CYS 105.A SG GLU 173.A OE1 no hydrogen 3.850 N/A ALA 108.A N ASP 107.A OD1 no hydrogen 2.933 N/A VAL 109.A N ASP 107.A O no hydrogen 2.800 N/A ARG 111.A N THR 155.A O no hydrogen 2.805 N/A ARG 111.A NH1 THR 155.A OG1 no hydrogen 2.776 N/A GLY 112.A N ASN 110.A OD1 no hydrogen 2.880 N/A ALA 114.A N TYR 121.A O no hydrogen 2.955 N/A TRP 116.A N LYS 119.A O no hydrogen 3.330 N/A GLY 117.A N VAL 3.A O no hydrogen 2.622 N/A LYS 119.A N TRP 116.A O no hydrogen 2.994 N/A LYS 119.A NZ ASP 118.A OD2 no hydrogen 3.247 N/A VAL 120.A N LEU 132.A O no hydrogen 2.702 N/A TYR 121.A N ALA 114.A O no hydrogen 2.883 N/A TYR 121.A OH ALA 185.A O no hydrogen 2.758 N/A VAL 122.A N ILE 130.A O no hydrogen 3.051 N/A THR 124.A N ARG 128.A O no hydrogen 2.791 N/A THR 124.A OG1 ASP 126.A OD1 no hydrogen 2.498 N/A LEU 125.A N SER 76.A OG no hydrogen 3.008 N/A GLY 127.A N THR 124.A O no hydrogen 2.974 N/A ARG 128.A N THR 124.A OG1 no hydrogen 2.954 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 2.846 N/A ARG 128.A NH1 PRO 94.A O no hydrogen 3.545 N/A ARG 128.A NH2 PRO 94.A O no hydrogen 2.901 N/A ARG 128.A NH2 ASP 126.A OD1 no hydrogen 3.352 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 2.859 N/A LEU 129.A N GLN 143.A O no hydrogen 2.869 N/A ILE 130.A N VAL 122.A O no hydrogen 2.878 N/A ALA 131.A N TRP 141.A O no hydrogen 2.862 N/A LEU 132.A N VAL 120.A O no hydrogen 2.682 N/A ASP 133.A N LYS 138.A O no hydrogen 2.777 N/A ALA 134.A N ASP 118.A O no hydrogen 2.886 N/A THR 136.A N ASP 133.A OD2 no hydrogen 2.870 N/A THR 136.A OG1 ASP 133.A OD2 no hydrogen 2.724 N/A GLY 137.A N ASP 133.A O no hydrogen 2.699 N/A ILE 140.A N ALA 131.A O no hydrogen 2.757 N/A TRP 141.A N ALA 131.A O no hydrogen 3.503 N/A TRP 141.A NE1 ALA 185.A O no hydrogen 3.014 N/A GLN 143.A N LEU 129.A O no hydrogen 2.956 N/A THR 145.A N GLY 127.A O no hydrogen 2.914 N/A THR 145.A OG1 GLY 127.A O no hydrogen 2.782 N/A THR 146.A OG1 GLN 144.A OE1 no hydrogen 3.529 N/A ALA 149.A N ASP 147.A OD1 no hydrogen 2.746 N/A LYS 150.A N ASP 147.A O no hydrogen 2.867 N/A TYR 152.A N LYS 150.A O no hydrogen 2.733 N/A TYR 152.A OH ARG 177.A O no hydrogen 2.450 N/A SER 153.A N GLY 170.A O no hydrogen 3.138 N/A ILE 154.A N THR 124.A O no hydrogen 2.994 N/A ARG 159.A N ILE 166.A O no hydrogen 3.234 N/A ARG 159.A NE GLU 27.A OE1 no hydrogen 2.915 N/A ARG 159.A NH1 ALA 157.A O no hydrogen 2.845 N/A ARG 159.A NH2 GLU 27.A OE1 no hydrogen 3.323 N/A ARG 159.A NH2 GLU 27.A OE2 no hydrogen 2.883 N/A VAL 161.A N LYS 164.A O no hydrogen 2.829 N/A LYS 162.A NZ ASP 242.A OD2 no hydrogen 3.076 N/A LYS 162.A NZ ASP 278.A OD1 no hydrogen 3.146 N/A LYS 162.A NZ ASP 278.A OD2 no hydrogen 2.802 N/A LYS 164.A N VAL 161.A O no hydrogen 2.903 N/A VAL 165.A N TYR 183.A O no hydrogen 2.648 N/A ILE 166.A N ARG 159.A O no hydrogen 2.749 N/A ILE 167.A N SER 181.A O no hydrogen 3.182 N/A ASN 169.A N VAL 231.A O no hydrogen 2.978 N/A GLY 170.A N SER 153.A O no hydrogen 2.646 N/A TYR 174.A N GLY 171.A O no hydrogen 3.027 N/A TYR 174.A OH ARG 102.A O no hydrogen 3.210 N/A GLY 175.A N GLY 171.A O no hydrogen 2.972 N/A ARG 177.A NE VAL 197.A O no hydrogen 2.843 N/A ARG 177.A NH1 GLU 206.A OE2 no hydrogen 2.804 N/A ARG 177.A NH2 VAL 197.A O no hydrogen 3.098 N/A ARG 177.A NH2 GLU 206.A OE1 no hydrogen 2.910 N/A GLY 178.A N GLY 228.A O no hydrogen 2.863 N/A VAL 180.A N PHE 194.A O no hydrogen 2.984 N/A SER 181.A N ILE 167.A O no hydrogen 3.064 N/A ALA 182.A N TRP 192.A O no hydrogen 2.952 N/A TYR 183.A N VAL 165.A O no hydrogen 2.861 N/A ASP 184.A N LYS 189.A O no hydrogen 2.815 N/A ALA 185.A N GLY 163.A O no hydrogen 2.948 N/A THR 187.A N ASP 184.A OD2 no hydrogen 2.778 N/A THR 187.A OG1 ASP 184.A OD2 no hydrogen 2.988 N/A GLY 188.A N ASP 184.A O no hydrogen 2.643 N/A LYS 189.A N THR 187.A OG1 no hydrogen 3.211 N/A ALA 191.A N ALA 182.A O no hydrogen 2.754 N/A TRP 192.A N ALA 182.A O no hydrogen 3.470 N/A TRP 192.A NE1 PRO 277.A O no hydrogen 2.749 N/A ARG 193.A NE SER 181.A OG no hydrogen 2.840 N/A ARG 193.A NH1 TYR 195.A OH no hydrogen 3.229 N/A ARG 193.A NH2 THR 145.A O no hydrogen 3.050 N/A ARG 193.A NH2 TYR 183.A OH no hydrogen 2.980 N/A PHE 194.A N VAL 180.A O no hydrogen 2.862 N/A THR 196.A N GLY 178.A O no hydrogen 3.048 N/A THR 196.A OG1 GLY 229.A O no hydrogen 2.623 N/A ALA 202.A N ASP 200.A OD1 no hydrogen 2.724 N/A LEU 203.A N ASP 200.A O no hydrogen 3.036 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.633 N/A GLU 209.A N GLU 209.A OE2 no hydrogen 2.736 N/A LEU 210.A N HIS 207.A O no hydrogen 3.039 N/A ARG 211.A N PRO 208.A O no hydrogen 3.066 N/A ALA 213.A N GLU 209.A O no hydrogen 2.961 N/A ALA 214.A N LEU 210.A O no hydrogen 2.861 N/A LYS 215.A N GLU 212.A O no hydrogen 3.195 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 2.796 N/A THR 216.A N ALA 213.A O no hydrogen 2.773 N/A THR 216.A OG1 ALA 213.A O no hydrogen 2.570 N/A TRP 217.A N ALA 214.A O no hydrogen 3.178 N/A TRP 217.A NE1 LEU 267.A O no hydrogen 2.685 N/A GLN 218.A N SER 260.A OG no hydrogen 2.873 N/A LYS 224.A N GLN 221.A O no hydrogen 3.053 N/A LYS 224.A NZ ASP 220.A O no hydrogen 2.645 N/A LEU 225.A N GLN 221.A O no hydrogen 3.012 N/A GLY 227.A N SER 252.A O no hydrogen 3.223 N/A GLY 228.A N VAL 176.A O no hydrogen 2.872 N/A GLY 229.A N ASN 250.A O no hydrogen 2.721 N/A SER 234.A N THR 299.A O no hydrogen 3.089 N/A SER 234.A OG THR 299.A O no hydrogen 2.930 N/A ALA 236.A N TYR 245.A O no hydrogen 2.808 N/A TYR 237.A N TYR 25.A O no hydrogen 3.083 N/A TYR 237.A OH GLU 5.A OE2 no hydrogen 2.716 N/A ASP 238.A N LEU 243.A O no hydrogen 3.073 N/A GLU 240.A N ASP 238.A OD2 no hydrogen 2.849 N/A LEU 241.A N ASP 238.A OD2 no hydrogen 3.258 N/A LEU 243.A N ASP 238.A O no hydrogen 3.143 N/A LEU 244.A N ILE 275.A O no hydrogen 2.739 N/A TYR 245.A N ALA 236.A O no hydrogen 2.752 N/A TYR 245.A OH ARG 331.A O no hydrogen 2.757 N/A VAL 246.A N LEU 273.A O no hydrogen 2.782 N/A GLY 247.A N SER 234.A O no hydrogen 3.453 N/A THR 248.A N SER 271.A O no hydrogen 2.918 N/A THR 248.A OG1 TYR 268.A O no hydrogen 2.680 N/A THR 248.A OG1 SER 271.A O no hydrogen 3.305 N/A ASN 250.A ND2 GLU 173.A OE2 no hydrogen 3.099 N/A ASN 250.A ND2 GLY 251.A O no hydrogen 3.138 N/A GLY 251.A N ASP 292.A OD2 no hydrogen 3.188 N/A SER 252.A N GLY 227.A O no hydrogen 2.888 N/A SER 252.A OG ALA 172.A O no hydrogen 2.584 N/A TRP 254.A NE1 GLU 173.A OE2 no hydrogen 2.812 N/A ASN 255.A N THR 421.A O no hydrogen 3.204 N/A ASN 255.A ND2 SER 293.A OG no hydrogen 3.422 N/A ARG 256.A N SER 293.A OG no hydrogen 2.911 N/A ARG 256.A NH1 GLY 264.A O no hydrogen 3.089 N/A VAL 258.A N ASN 255.A O no hydrogen 3.025 N/A ARG 259.A N ASN 255.A O no hydrogen 2.971 N/A ARG 259.A NH1 PRO 253.A O no hydrogen 2.862 N/A ARG 259.A NH1 TRP 254.A O no hydrogen 2.781 N/A ARG 259.A NH1 ASP 292.A O no hydrogen 2.986 N/A ARG 259.A NH2 ASP 292.A O no hydrogen 2.647 N/A SER 260.A N ARG 256.A O no hydrogen 2.673 N/A SER 260.A OG GLN 218.A O no hydrogen 3.457 N/A SER 260.A OG GLY 263.A O no hydrogen 2.612 N/A SER 260.A OG ASN 266.A OD1 no hydrogen 3.326 N/A GLY 263.A N SER 260.A O no hydrogen 2.797 N/A ASN 266.A N THR 216.A O no hydrogen 2.858 N/A LEU 267.A N THR 216.A OG1 no hydrogen 2.914 N/A TYR 268.A N THR 196.A O no hydrogen 2.707 N/A TYR 268.A OH GLU 209.A O no hydrogen 3.388 N/A LEU 269.A N ASN 266.A O no hydrogen 3.019 N/A SER 270.A N GLY 249.A O no hydrogen 2.881 N/A SER 270.A OG THR 289.A OG1 no hydrogen 3.026 N/A SER 270.A OG PHE 296.A O no hydrogen 2.789 N/A SER 271.A N THR 248.A OG1 no hydrogen 2.733 N/A SER 271.A OG LEU 269.A O no hydrogen 2.689 N/A ILE 272.A N TYR 286.A O no hydrogen 2.838 N/A LEU 273.A N VAL 246.A O no hydrogen 2.727 N/A ALA 274.A N TRP 284.A O no hydrogen 2.849 N/A ILE 275.A N LEU 244.A O no hydrogen 2.679 N/A ARG 276.A N LYS 281.A O no hydrogen 2.788 N/A THR 279.A N ARG 276.A O no hydrogen 3.129 N/A GLY 280.A N ARG 276.A O no hydrogen 2.679 N/A LYS 281.A N THR 279.A OG1 no hydrogen 3.272 N/A LEU 282.A N GLU 209.A OE1 no hydrogen 3.079 N/A ALA 283.A N ALA 274.A O no hydrogen 2.695 N/A TRP 284.A N ALA 274.A O no hydrogen 3.422 N/A TRP 284.A NE1 ARG 331.A O no hydrogen 3.274 N/A TYR 286.A N ILE 272.A O no hydrogen 3.026 N/A TYR 286.A OH GLY 356.A O no hydrogen 2.726 N/A GLN 287.A NE2 ASP 265.A O no hydrogen 2.944 N/A GLN 287.A NE2 LEU 269.A O no hydrogen 3.104 N/A VAL 288.A N SER 270.A O no hydrogen 2.696 N/A THR 289.A N SER 270.A O no hydrogen 3.172 N/A THR 289.A OG1 SER 270.A OG no hydrogen 3.026 N/A GLY 291.A N ASP 265.A O no hydrogen 2.857 N/A ASP 292.A N THR 289.A O no hydrogen 3.044 N/A SER 293.A OG TRP 254.A O no hydrogen 3.526 N/A SER 293.A OG TYR 366.A OH no hydrogen 3.083 N/A TRP 294.A N ASP 292.A OD1 no hydrogen 3.133 N/A TRP 294.A NE1 VAL 364.A O no hydrogen 2.725 N/A PHE 296.A N ASP 292.A OD1 no hydrogen 2.908 N/A THR 297.A OG1 GLN 300.A OE1 no hydrogen 2.975 N/A ALA 298.A N THR 248.A O no hydrogen 2.882 N/A THR 299.A OG1 GLN 300.A OE1 no hydrogen 3.362 N/A GLN 300.A NE2 THR 297.A O no hydrogen 3.095 N/A GLN 300.A NE2 THR 297.A OG1 no hydrogen 2.884 N/A GLN 301.A NE2 MET 386.A O no hydrogen 3.102 N/A THR 303.A N MET 318.A O no hydrogen 2.884 N/A THR 303.A OG1 GLU 27.A O no hydrogen 2.954 N/A LEU 304.A N ALA 26.A O no hydrogen 2.919 N/A ALA 305.A N VAL 316.A O no hydrogen 3.151 N/A LEU 307.A N ARG 314.A O no hydrogen 3.032 N/A ILE 309.A N LYS 312.A O no hydrogen 2.838 N/A LYS 312.A N ILE 309.A O no hydrogen 2.929 N/A ARG 314.A N LEU 307.A O no hydrogen 2.671 N/A ARG 314.A NH2 ASP 330.A OD2 no hydrogen 2.927 N/A VAL 316.A N ALA 305.A O no hydrogen 2.887 N/A LEU 317.A N LEU 329.A O no hydrogen 2.900 N/A MET 318.A N THR 303.A O no hydrogen 2.692 N/A GLN 319.A N TYR 327.A O no hydrogen 3.120 N/A LYS 322.A NZ ASP 295.A O no hydrogen 3.093 N/A LYS 322.A NZ PRO 377.A O no hydrogen 2.775 N/A ASN 323.A ND2 THR 289.A OG1 no hydrogen 3.268 N/A ASN 323.A ND2 TYR 327.A OH no hydrogen 2.964 N/A GLY 324.A N PRO 321.A O no hydrogen 3.343 N/A PHE 325.A N ASN 323.A OD1 no hydrogen 2.970 N/A PHE 326.A N GLU 340.A O no hydrogen 2.706 N/A TYR 327.A N GLN 319.A O no hydrogen 2.786 N/A VAL 328.A N SER 338.A O no hydrogen 3.000 N/A LEU 329.A N LEU 317.A O no hydrogen 2.890 N/A ASP 330.A N LYS 335.A O no hydrogen 2.815 N/A ARG 331.A N LYS 315.A O no hydrogen 2.898 N/A ARG 331.A NE ASP 238.A OD1 no hydrogen 2.743 N/A ARG 331.A NH1 ALA 305.A O no hydrogen 2.984 N/A ARG 331.A NH1 GLU 306.A OE2 no hydrogen 3.042 N/A ARG 331.A NH1 VAL 316.A O no hydrogen 3.112 N/A ARG 331.A NH2 ASP 238.A OD1 no hydrogen 3.159 N/A ARG 331.A NH2 GLU 306.A OE2 no hydrogen 2.912 N/A THR 332.A N ASP 330.A OD1 no hydrogen 2.886 N/A THR 332.A OG1 ASP 330.A OD1 no hydrogen 2.534 N/A ASN 333.A ND2 ASP 330.A O no hydrogen 3.419 N/A GLY 334.A N ASP 330.A O no hydrogen 2.751 N/A LYS 335.A NZ ASN 333.A OD1 no hydrogen 2.702 N/A ILE 337.A N VAL 328.A O no hydrogen 2.854 N/A SER 338.A N VAL 328.A O no hydrogen 3.168 N/A GLU 340.A N PHE 326.A O no hydrogen 3.325 N/A LYS 341.A NZ VAL 345.A O no hydrogen 2.938 N/A LYS 341.A NZ ALA 348.A O no hydrogen 2.963 N/A LYS 341.A NZ GLU 349.A O no hydrogen 3.407 N/A PHE 342.A N GLY 324.A O no hydrogen 2.944 N/A LYS 344.A N TYR 399.A OH no hydrogen 2.990 N/A THR 346.A N TRP 374.A O no hydrogen 2.934 N/A TRP 347.A NE1 ASN 323.A O no hydrogen 2.949 N/A GLU 349.A N VAL 359.A O no hydrogen 2.810 N/A ASP 352.A N ARG 357.A O no hydrogen 2.868 N/A THR 355.A N ASP 352.A OD1 no hydrogen 2.648 N/A THR 355.A OG1 ASP 352.A O no hydrogen 3.504 N/A THR 355.A OG1 ASP 352.A OD1 no hydrogen 3.051 N/A GLY 356.A N ASP 352.A O no hydrogen 2.497 N/A ARG 357.A N THR 355.A OG1 no hydrogen 3.175 N/A ARG 357.A NH1 ASP 265.A OD1 no hydrogen 2.933 N/A ARG 357.A NH1 ASP 265.A OD2 no hydrogen 3.488 N/A ARG 357.A NH2 ASP 265.A OD2 no hydrogen 2.842 N/A VAL 359.A N LYS 350.A O no hydrogen 2.708 N/A ALA 361.A N TRP 347.A O no hydrogen 3.028 N/A VAL 364.A N ALA 361.A O no hydrogen 3.495 N/A ARG 365.A NE GLU 360.A OE1 no hydrogen 2.753 N/A ARG 365.A NH1 GLY 291.A O no hydrogen 2.859 N/A ARG 365.A NH2 PRO 290.A O no hydrogen 3.068 N/A ARG 365.A NH2 GLY 291.A O no hydrogen 3.376 N/A ARG 365.A NH2 GLU 360.A OE2 no hydrogen 2.825 N/A TYR 366.A N GLY 363.A O no hydrogen 3.007 N/A TYR 366.A OH SER 293.A O no hydrogen 2.655 N/A TYR 366.A OH SER 293.A OG no hydrogen 3.083 N/A GLU 367.A N GLU 367.A OE2 no hydrogen 2.835 N/A ILE 371.A N TYR 406.A O no hydrogen 2.957 N/A MET 373.A N GLY 404.A O no hydrogen 2.820 N/A TRP 374.A N THR 346.A OG1 no hydrogen 3.197 N/A SER 376.A OG VAL 402.A O no hydrogen 3.564 N/A PHE 378.A N SER 376.A OG no hydrogen 3.207 N/A GLY 379.A N SER 376.A O no hydrogen 2.744 N/A ALA 380.A N LYS 322.A O no hydrogen 3.055 N/A ASN 382.A ND2 PHE 378.A O no hydrogen 3.027 N/A TRP 383.A N ASN 382.A OD1 no hydrogen 2.576 N/A SER 387.A N TYR 396.A O no hydrogen 3.247 N/A SER 387.A OG THR 464.A OG1 no hydrogen 2.744 N/A SER 387.A OG SER 466.A OG no hydrogen 2.751 N/A PHE 388.A N GLN 28.A O no hydrogen 2.859 N/A ASN 389.A N LEU 394.A O no hydrogen 3.114 N/A ASN 389.A ND2 THR 467.A O no hydrogen 3.279 N/A GLY 391.A N ASN 389.A OD1 no hydrogen 2.819 N/A THR 392.A N ASN 389.A OD1 no hydrogen 3.330 N/A THR 392.A OG1 ASN 389.A O no hydrogen 3.494 N/A THR 392.A OG1 TYR 396.A OH no hydrogen 2.884 N/A GLY 393.A N ASN 389.A O no hydrogen 2.651 N/A LEU 394.A N THR 392.A OG1 no hydrogen 3.249 N/A VAL 395.A N TRP 443.A O no hydrogen 2.756 N/A TYR 396.A N SER 387.A O no hydrogen 2.849 N/A TYR 396.A OH THR 392.A OG1 no hydrogen 2.884 N/A TYR 396.A OH ALA 486.A O no hydrogen 2.696 N/A ILE 397.A N LEU 441.A O no hydrogen 2.708 N/A TYR 399.A N ILE 397.A O no hydrogen 2.881 N/A TYR 399.A N ALA 439.A O no hydrogen 2.900 N/A TYR 399.A OH GLU 401.A OE2 no hydrogen 2.639 N/A GLN 400.A N ALA 380.A O no hydrogen 2.737 N/A GLN 400.A NE2 PHE 378.A O no hydrogen 3.026 N/A GLN 400.A NE2 GLY 379.A O no hydrogen 2.920 N/A GLU 401.A N SER 437.A O no hydrogen 2.853 N/A GLY 404.A N MET 373.A O no hydrogen 2.637 N/A TYR 406.A N ILE 371.A O no hydrogen 3.021 N/A TYR 406.A OH TRP 294.A O no hydrogen 2.730 N/A ARG 407.A N ALA 423.A O no hydrogen 2.919 N/A ARG 407.A NE ASP 427.A OD2 no hydrogen 2.720 N/A ARG 407.A NH2 ASP 427.A OD1 no hydrogen 3.107 N/A ARG 407.A NH2 ASP 427.A OD2 no hydrogen 3.438 N/A ASN 408.A ND2 GLU 367.A O no hydrogen 3.204 N/A GLU 409.A N ALA 422.A O no hydrogen 3.255 N/A GLY 410.A N ASN 408.A OD1 no hydrogen 2.981 N/A ASP 412.A N GLU 409.A O no hydrogen 2.826 N/A PHE 413.A N GLY 410.A O no hydrogen 2.930 N/A ASN 420.A N GLU 173.A O no hydrogen 2.754 N/A ALA 423.A N THR 421.A OG1 no hydrogen 3.009 N/A GLY 424.A N GLU 409.A OE1 no hydrogen 2.673 N/A ASP 427.A N GLY 424.A O no hydrogen 3.044 N/A ALA 428.A N PHE 425.A O no hydrogen 3.355 N/A VAL 431.A N ASP 430.A OD2 no hydrogen 2.548 N/A ALA 433.A N GLU 532.A OE2 no hydrogen 2.944 N/A VAL 435.A N PRO 432.A O no hydrogen 3.255 N/A VAL 436.A N ALA 433.A O no hydrogen 3.387 N/A SER 437.A N GLU 401.A O no hydrogen 3.125 N/A GLY 438.A N TYR 456.A O no hydrogen 3.132 N/A ALA 439.A N TYR 399.A O no hydrogen 3.083 N/A LEU 440.A N VAL 454.A O no hydrogen 2.720 N/A LEU 441.A N ILE 397.A O no hydrogen 2.882 N/A ALA 442.A N TRP 452.A O no hydrogen 2.956 N/A TRP 443.A N VAL 395.A O no hydrogen 2.711 N/A TRP 443.A NE1 GLN 448.A OE1 no hydrogen 2.923 N/A ASP 444.A N LYS 449.A O no hydrogen 2.881 N/A VAL 446.A N ASP 444.A OD2 no hydrogen 2.972 N/A LYS 447.A N ASP 444.A OD2 no hydrogen 3.017 N/A GLN 448.A NE2 PHE 326.A O no hydrogen 3.042 N/A GLN 448.A NE2 SER 338.A OG no hydrogen 2.781 N/A LYS 449.A N ASP 444.A O no hydrogen 3.284 N/A ALA 451.A N ALA 442.A O no hydrogen 2.750 N/A TRP 452.A NE1 ALA 486.A O no hydrogen 3.039 N/A VAL 454.A N LEU 440.A O no hydrogen 2.890 N/A TYR 456.A N GLY 438.A O no hydrogen 2.903 N/A TYR 456.A OH GLN 474.A OE1 no hydrogen 2.791 N/A TYR 456.A OH TYR 484.A OH no hydrogen 2.683 N/A THR 458.A OG1 HIS 459.A O no hydrogen 2.962 N/A HIS 459.A N HIS 459.A ND1 no hydrogen 2.791 N/A TRP 460.A N GLN 400.A OE1 no hydrogen 2.967 N/A TRP 460.A NE1 GLY 523.A O no hydrogen 2.996 N/A ASN 461.A ND2 THR 458.A O no hydrogen 3.060 N/A GLY 462.A N GLY 475.A O no hydrogen 2.841 N/A GLY 463.A N ALA 503.A O no hydrogen 3.119 N/A THR 464.A N SER 385.A O no hydrogen 2.887 N/A THR 464.A OG1 SER 387.A OG no hydrogen 2.744 N/A THR 464.A OG1 TYR 396.A O no hydrogen 3.002 N/A LEU 465.A N PHE 473.A O no hydrogen 2.972 N/A SER 466.A N ARG 29.A O no hydrogen 3.145 N/A SER 466.A OG SER 387.A OG no hydrogen 2.751 N/A THR 467.A N LEU 471.A O no hydrogen 3.149 N/A ALA 468.A N SER 31.A O no hydrogen 2.899 N/A GLY 469.A N THR 467.A OG1 no hydrogen 3.190 N/A VAL 472.A N TYR 484.A O no hydrogen 3.052 N/A PHE 473.A N LEU 465.A O no hydrogen 2.798 N/A GLN 474.A N HIS 482.A O no hydrogen 3.161 N/A GLN 474.A NE2 GLY 462.A O no hydrogen 2.975 N/A THR 476.A N GLN 480.A O no hydrogen 2.823 N/A THR 476.A OG1 GLN 480.A O no hydrogen 3.344 N/A ALA 477.A N ASN 461.A OD1 no hydrogen 2.933 N/A GLY 479.A N THR 476.A O no hydrogen 3.092 N/A GLN 480.A N THR 476.A OG1 no hydrogen 3.048 N/A MET 481.A N PHE 495.A O no hydrogen 2.952 N/A HIS 482.A N GLN 474.A O no hydrogen 2.732 N/A ALA 483.A N TRP 493.A O no hydrogen 3.042 N/A TYR 484.A N VAL 472.A O no hydrogen 2.985 N/A TYR 484.A OH TYR 456.A OH no hydrogen 2.683 N/A SER 485.A N GLU 490.A O no hydrogen 2.961 N/A SER 485.A OG ASP 487.A OD2 no hydrogen 3.440 N/A ALA 486.A N ASN 470.A O no hydrogen 2.916 N/A GLY 489.A N SER 485.A O no hydrogen 2.875 N/A GLU 490.A N SER 485.A OG no hydrogen 2.888 N/A LEU 492.A N ALA 483.A O no hydrogen 2.875 N/A TRP 493.A N ALA 483.A O no hydrogen 3.315 N/A PHE 495.A N MET 481.A O no hydrogen 3.057 N/A ALA 497.A N GLY 479.A O no hydrogen 3.005 N/A GLN 498.A NE2 PRO 557.A O no hydrogen 3.471 N/A SER 499.A OG GLY 500.A O no hydrogen 2.955 N/A SER 499.A OG LYS 540.A O no hydrogen 3.256 N/A GLY 500.A N LYS 540.A O no hydrogen 3.047 N/A ILE 501.A N THR 476.A O no hydrogen 2.938 N/A MET 506.A N ALA 517.A O no hydrogen 2.995 N/A THR 507.A OG1 GLN 514.A OE1 no hydrogen 3.145 N/A THR 507.A OG1 TYR 515.A O no hydrogen 2.639 N/A PHE 508.A N TYR 515.A O no hydrogen 3.054 N/A GLU 509.A N GLY 16.A O no hydrogen 2.856 N/A LEU 510.A N ARG 513.A O no hydrogen 2.886 N/A ARG 513.A N LEU 510.A O no hydrogen 2.953 N/A ARG 513.A NH1 LEU 550.A O no hydrogen 3.408 N/A ARG 513.A NH2 LEU 550.A O no hydrogen 2.838 N/A GLN 514.A N GLN 35.A OE1 no hydrogen 2.867 N/A TYR 515.A N PHE 508.A O no hydrogen 2.903 N/A VAL 516.A N PHE 548.A O no hydrogen 2.935 N/A ALA 517.A N MET 506.A O no hydrogen 2.833 N/A ILE 518.A N LEU 546.A O no hydrogen 2.906 N/A ALA 520.A N ARG 544.A O no hydrogen 2.761 N/A TRP 522.A N SER 499.A OG no hydrogen 3.201 N/A GLY 524.A N ASP 107.A OD2 no hydrogen 2.976 N/A THR 527.A N GLY 524.A O no hydrogen 3.135 N/A THR 527.A OG1 GLY 524.A O no hydrogen 2.791 N/A LEU 528.A N VAL 525.A O no hydrogen 2.912 N/A THR 529.A N VAL 525.A O no hydrogen 3.055 N/A THR 529.A OG1 VAL 525.A O no hydrogen 3.360 N/A THR 529.A OG1 ALA 526.A O no hydrogen 3.363 N/A GLY 530.A N ALA 526.A O no hydrogen 3.070 N/A GLY 531.A N ILE 600.A O no hydrogen 3.051 N/A GLU 532.A N ASP 430.A OD2 no hydrogen 2.794 N/A SER 533.A N VAL 431.A O no hydrogen 2.983 N/A SER 533.A OG VAL 431.A O no hydrogen 2.679 N/A MET 534.A N GLY 531.A O no hydrogen 3.098 N/A ASN 535.A N GLU 532.A O no hydrogen 3.006 N/A ASN 535.A ND2 SER 601.A O no hydrogen 3.260 N/A MET 539.A N LEU 536.A O no hydrogen 3.201 N/A LYS 540.A N GLY 538.A O no hydrogen 2.854 N/A ASN 541.A ND2 ASN 54.A O no hydrogen 3.664 N/A ASN 541.A ND2 SER 543.A OG no hydrogen 2.883 N/A ARG 542.A N SER 499.A OG no hydrogen 3.389 N/A ARG 542.A NH1 GLN 498.A O no hydrogen 2.795 N/A SER 543.A OG ASN 54.A O no hydrogen 2.999 N/A ARG 544.A N ALA 520.A O no hydrogen 2.843 N/A ARG 544.A NE ASP 51.A OD2 no hydrogen 2.816 N/A LEU 545.A N MET 50.A O no hydrogen 2.995 N/A LEU 546.A N ILE 518.A O no hydrogen 2.943 N/A VAL 547.A N TRP 48.A O no hydrogen 3.000 N/A PHE 548.A N VAL 516.A O no hydrogen 2.765 N/A ALA 549.A N GLY 45.A O no hydrogen 2.951 N/A ASP 551.A N SER 43.A O no hydrogen 2.827 N/A GLY 552.A N ALA 549.A O no hydrogen 2.959 N/A LYS 553.A NZ ALA 47.A O no hydrogen 2.776 N/A ALA 554.A N LEU 46.A O no hydrogen 2.737 N/A ARG 568.A NE GLU 656.A OE1 no hydrogen 2.692 N/A ARG 568.A NH1 SER 611.A O no hydrogen 2.870 N/A ARG 568.A NH1 ASP 613.A OD2 no hydrogen 2.712 N/A ARG 568.A NH2 ARG 609.A O no hydrogen 3.352 N/A ARG 568.A NH2 SER 611.A O no hydrogen 2.725 N/A ARG 568.A NH2 GLU 656.A OE1 no hydrogen 2.955 N/A ARG 568.A NH2 GLU 656.A OE2 no hydrogen 3.431 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.667 N/A GLN 579.A N ALA 576.A O no hydrogen 2.825 N/A VAL 580.A N ALA 576.A O no hydrogen 3.117 N/A GLN 581.A N PRO 577.A O no hydrogen 2.843 N/A ALA 582.A N GLU 578.A O no hydrogen 2.776 N/A GLY 583.A N GLN 579.A O no hydrogen 3.095 N/A LYS 584.A N VAL 580.A O no hydrogen 2.773 N/A GLN 585.A N GLN 581.A O no hydrogen 3.036 N/A LEU 586.A N ALA 582.A O no hydrogen 2.969 N/A TYR 587.A N GLY 583.A O no hydrogen 2.861 N/A TYR 587.A OH GLY 596.A O no hydrogen 2.645 N/A GLY 588.A N LYS 584.A O no hydrogen 3.024 N/A GLN 589.A N GLN 585.A O no hydrogen 2.876 N/A PHE 590.A N LEU 586.A O no hydrogen 2.958 N/A CYS 591.A N TYR 587.A O no hydrogen 2.694 N/A SER 592.A N TYR 587.A O no hydrogen 2.987 N/A SER 592.A OG GLY 588.A O no hydrogen 2.730 N/A CYS 594.A N CYS 591.A O no hydrogen 3.095 N/A HIS 595.A N CYS 591.A O no hydrogen 2.947 N/A HIS 595.A ND1 PRO 606.A O no hydrogen 2.697 N/A GLY 596.A N SER 592.A O no hydrogen 2.881 N/A MET 597.A N THR 529.A O no hydrogen 2.746 N/A THR 599.A N GLY 596.A O no hydrogen 2.928 N/A THR 599.A OG1 GLY 598.A O no hydrogen 2.438 N/A ILE 600.A N MET 597.A O no hydrogen 2.986 N/A SER 601.A N THR 599.A O no hydrogen 2.961 N/A SER 601.A OG ILE 605.A O no hydrogen 2.559 N/A GLY 603.A N SER 601.A OG no hydrogen 3.171 N/A ARG 609.A N ASP 607.A OD2 no hydrogen 2.923 N/A ARG 609.A NE ASP 607.A OD1 no hydrogen 3.220 N/A ARG 609.A NE ASP 607.A OD2 no hydrogen 2.986 N/A ARG 609.A NH1 ASP 659.A OD1 no hydrogen 2.518 N/A ARG 609.A NH2 ASP 607.A OD1 no hydrogen 2.900 N/A GLN 610.A N ASP 607.A O no hydrogen 2.804 N/A SER 611.A OG LEU 608.A O no hydrogen 3.467 N/A SER 612.A OG THR 615.A OG1 no hydrogen 3.067 N/A THR 615.A N SER 612.A OG no hydrogen 3.246 N/A THR 615.A OG1 SER 612.A OG no hydrogen 3.067 N/A ARG 616.A N SER 612.A O no hydrogen 3.040 N/A ARG 616.A NH1 LEU 608.A O no hydrogen 2.999 N/A ARG 616.A NH1 GLU 656.A OE2 no hydrogen 2.907 N/A ARG 616.A NH2 GLU 656.A OE2 no hydrogen 3.185 N/A GLU 617.A N ASP 613.A O no hydrogen 2.990 N/A HIS 618.A N ALA 614.A O no hydrogen 3.172 N/A HIS 618.A N THR 615.A O no hydrogen 2.989 N/A PHE 619.A N ARG 616.A O no hydrogen 3.285 N/A ILE 622.A N HIS 618.A O no hydrogen 2.872 N/A VAL 623.A N PHE 619.A O no hydrogen 2.980 N/A LEU 624.A N GLN 620.A O no hydrogen 2.857 N/A GLN 625.A N GLN 621.A O no hydrogen 2.951 N/A ALA 627.A N GLN 621.A O no hydrogen 3.187 N/A LYS 629.A N GLY 626.A O no hydrogen 3.171 N/A LEU 631.A N LEU 628.A O no hydrogen 2.956 N/A GLY 632.A N LYS 629.A O no hydrogen 2.904 N/A MET 633.A N LEU 628.A O no hydrogen 3.235 N/A SER 635.A OG LEU 624.A O no hydrogen 3.007 N/A SER 635.A OG ASP 637.A OD1 no hydrogen 2.710 N/A PHE 636.A N VAL 623.A O no hydrogen 2.686 N/A SER 639.A N PHE 636.A O no hydrogen 2.971 N/A SER 639.A OG ASP 638.A OD1 no hydrogen 2.713 N/A LEU 640.A N PHE 636.A O no hydrogen 2.840 N/A LYS 641.A N GLU 644.A OE2 no hydrogen 2.623 N/A GLU 643.A N GLU 643.A OE1 no hydrogen 2.948 N/A GLU 644.A N LYS 641.A O no hydrogen 2.812 N/A VAL 645.A N LYS 641.A O no hydrogen 3.016 N/A GLU 646.A N PRO 642.A O no hydrogen 2.969 N/A GLN 647.A N GLU 643.A O no hydrogen 3.081 N/A ILE 648.A N GLU 644.A O no hydrogen 3.071 N/A LYS 649.A N VAL 645.A O no hydrogen 2.930 N/A LYS 649.A NZ ARG 616.A O no hydrogen 2.963 N/A LEU 650.A N GLU 646.A O no hydrogen 2.903 N/A TYR 651.A N GLN 647.A O no hydrogen 3.017 N/A VAL 652.A N ILE 648.A O no hydrogen 2.824 N/A MET 653.A N LYS 649.A O no hydrogen 2.903 N/A SER 654.A N LEU 650.A O no hydrogen 2.886 N/A ARG 655.A N TYR 651.A O no hydrogen 2.973 N/A ARG 655.A NE GLY 598.A O no hydrogen 3.147 N/A ARG 655.A NH1 ASP 659.A OD1 no hydrogen 2.833 N/A ARG 655.A NH1 ASP 659.A OD2 no hydrogen 2.647 N/A ARG 655.A NH2 ASP 659.A OD1 no hydrogen 3.398 N/A GLU 656.A N VAL 652.A O no hydrogen 2.979 N/A TYR 657.A N MET 653.A O no hydrogen 2.991 N/A GLU 658.A N SER 654.A O no hydrogen 2.850 N/A ASP 659.A N ARG 655.A O no hydrogen 2.789 N/A TYR 660.A N GLU 656.A O no hydrogen 2.817 N/A MET 661.A N TYR 657.A O no hydrogen 2.929 N/A ARG 663.A NH1 GLU 567.A OE1 no hydrogen 2.956 N/A