Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1khf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASN 1.A O no hydrogen 3.003 N/A LYS 5.A N LEU 2.A O no hydrogen 2.754 N/A VAL 6.A N SER 3.A O no hydrogen 3.279 N/A VAL 7.A N ILE 34.A O no hydrogen 2.778 N/A GLN 8.A NE2 ILE 36.A O no hydrogen 3.196 N/A GLN 8.A NE2 GLU 43.A OE2 no hydrogen 2.721 N/A ASP 12.A N SER 10.A OG no hydrogen 3.141 N/A SER 13.A N SER 10.A O no hydrogen 3.004 N/A SER 13.A OG SER 10.A O no hydrogen 3.034 N/A LEU 14.A N LEU 11.A O no hydrogen 3.129 N/A GLN 16.A NE2 GLU 20.A OE2 no hydrogen 2.572 N/A ARG 19.A N PRO 15.A O no hydrogen 2.895 N/A ARG 19.A NE GLU 23.A OE2 no hydrogen 2.484 N/A ARG 19.A NH1 ASP 12.A OD1 no hydrogen 3.187 N/A GLU 20.A N GLN 16.A O no hydrogen 2.798 N/A PHE 21.A N ALA 17.A O no hydrogen 3.083 N/A LEU 22.A N VAL 18.A O no hydrogen 2.947 N/A GLU 23.A N ARG 19.A O no hydrogen 2.875 N/A ASN 24.A N GLU 20.A O no hydrogen 2.735 N/A ASN 25.A N PHE 21.A O no hydrogen 3.122 N/A ASN 25.A ND2 PHE 21.A O no hydrogen 2.707 N/A ALA 26.A N LEU 22.A O no hydrogen 2.832 N/A GLU 27.A N GLU 23.A O no hydrogen 3.126 N/A LEU 28.A N ASN 24.A O no hydrogen 3.170 N/A CYS 29.A N ASN 25.A O no hydrogen 2.514 N/A CYS 29.A SG ASN 25.A O no hydrogen 3.381 N/A GLN 30.A N ALA 26.A O no hydrogen 2.777 N/A GLN 30.A NE2 ALA 26.A O no hydrogen 3.671 N/A GLN 30.A NE2 GLU 27.A O no hydrogen 2.948 N/A ASP 32.A N ARG 128.A O no hydrogen 2.883 N/A HIS 33.A N ARG 128.A O no hydrogen 3.484 N/A ILE 34.A N LYS 5.A O no hydrogen 2.911 N/A HIS 35.A N MET 130.A O no hydrogen 2.840 N/A HIS 35.A NE2 GLU 43.A OE2 no hydrogen 2.802 N/A ILE 36.A N GLN 8.A O no hydrogen 3.124 N/A CYS 37.A N VAL 132.A O no hydrogen 2.885 N/A CYS 37.A SG VAL 132.A O no hydrogen 3.459 N/A ASP 38.A N GLU 43.A OE2 no hydrogen 2.734 N/A GLY 39.A N GLU 43.A OE1 no hydrogen 2.946 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.823 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.780 N/A SER 40.A OG ASP 38.A OD2 no hydrogen 3.231 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.654 N/A GLU 43.A N SER 40.A OG no hydrogen 3.210 N/A ASN 44.A N SER 40.A O no hydrogen 2.912 N/A GLY 45.A N GLU 41.A O no hydrogen 2.724 N/A ARG 46.A N GLU 42.A O no hydrogen 2.835 N/A ARG 46.A NH2 GLN 8.A OE1 no hydrogen 3.181 N/A LEU 47.A N GLU 43.A O no hydrogen 2.757 N/A LEU 48.A N ASN 44.A O no hydrogen 2.737 N/A GLY 49.A N GLY 45.A O no hydrogen 3.146 N/A GLN 50.A N ARG 46.A O no hydrogen 3.085 N/A MET 51.A N LEU 47.A O no hydrogen 2.850 N/A GLU 52.A N LEU 48.A O no hydrogen 2.756 N/A GLU 53.A N GLY 49.A O no hydrogen 2.780 N/A GLU 54.A N GLN 50.A O no hydrogen 3.108 N/A GLY 55.A N GLU 52.A O no hydrogen 3.028 N/A ILE 56.A N MET 51.A O no hydrogen 3.003 N/A LEU 57.A N MET 51.A O no hydrogen 3.472 N/A ARG 58.A N LEU 68.A O no hydrogen 2.778 N/A ARG 58.A NE GLU 353.A OE1 no hydrogen 3.479 N/A LEU 60.A N CYS 66.A O no hydrogen 2.904 N/A LYS 62.A N GLY 357.A O no hydrogen 3.225 N/A TYR 63.A N LEU 60.A O no hydrogen 3.164 N/A ASN 65.A ND2 ASN 345.A OD1 no hydrogen 3.285 N/A CYS 66.A SG ASP 64.A O no hydrogen 3.774 N/A CYS 66.A SG ILE 342.A O no hydrogen 3.955 N/A CYS 66.A SG GLN 343.A O no hydrogen 3.859 N/A TRP 67.A N THR 346.A O no hydrogen 3.053 N/A TRP 67.A NE1 ASN 65.A OD1 no hydrogen 2.922 N/A LEU 68.A N ARG 58.A O no hydrogen 2.903 N/A ALA 69.A N PHE 348.A O no hydrogen 2.900 N/A THR 71.A N ASN 350.A OD1 no hydrogen 2.776 N/A THR 71.A OG1 ASP 72.A O no hydrogen 3.009 N/A THR 71.A OG1 ASP 75.A O no hydrogen 3.063 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.078 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 3.190 N/A ARG 74.A NH2 ASP 72.A OD2 no hydrogen 2.854 N/A ASP 75.A N ASP 72.A O no hydrogen 2.881 N/A ILE 79.A N ASN 229.A OD1 no hydrogen 3.092 N/A LYS 82.A N ILE 79.A O no hydrogen 3.192 N/A THR 83.A N GLU 80.A O no hydrogen 3.012 N/A THR 83.A OG1 ILE 79.A O no hydrogen 2.619 N/A VAL 84.A N ILE 210.A O no hydrogen 2.926 N/A ILE 85.A N ARG 106.A O no hydrogen 3.001 N/A VAL 86.A N HIS 212.A O no hydrogen 2.665 N/A THR 87.A OG1 GLU 89.A O no hydrogen 2.800 N/A THR 87.A OG1 THR 93.A OG1 no hydrogen 2.787 N/A ASP 92.A N GLU 89.A O no hydrogen 3.195 N/A THR 93.A N GLN 90.A O no hydrogen 2.881 N/A THR 93.A OG1 THR 87.A OG1 no hydrogen 2.787 N/A VAL 94.A N GLN 90.A O no hydrogen 2.987 N/A LYS 98.A N ASP 579.A O no hydrogen 2.772 N/A LYS 98.A NZ ASN 582.A OD1 no hydrogen 2.670 N/A GLN 103.A N GLN 580.A OE1 no hydrogen 2.673 N/A LEU 104.A N SER 102.A OG no hydrogen 2.613 N/A ARG 106.A NH1 THR 83.A O no hydrogen 3.121 N/A TRP 107.A NE1 THR 87.A O no hydrogen 2.834 N/A MET 108.A N ILE 85.A O no hydrogen 3.162 N/A ASP 112.A N SER 109.A OG no hydrogen 2.844 N/A PHE 113.A N SER 109.A O no hydrogen 2.843 N/A GLU 114.A N GLU 110.A O no hydrogen 2.978 N/A LYS 115.A N GLU 111.A O no hydrogen 3.290 N/A ALA 116.A N ASP 112.A O no hydrogen 2.957 N/A PHE 117.A N PHE 113.A O no hydrogen 2.728 N/A ASN 118.A N GLU 114.A O no hydrogen 3.011 N/A ALA 119.A N LYS 115.A O no hydrogen 3.129 N/A ALA 119.A N ALA 116.A O no hydrogen 3.232 N/A ARG 120.A N PHE 117.A O no hydrogen 2.741 N/A ARG 120.A NE LEU 207.A O no hydrogen 2.954 N/A ARG 120.A NH1 ALA 116.A O no hydrogen 2.806 N/A PHE 121.A N PHE 117.A O no hydrogen 3.070 N/A GLY 123.A N LEU 28.A O no hydrogen 2.993 N/A CYS 124.A N PHE 121.A O no hydrogen 2.921 N/A CYS 124.A SG PHE 121.A O no hydrogen 3.223 N/A CYS 124.A SG SER 186.A OG no hydrogen 3.375 N/A MET 125.A N CYS 29.A O no hydrogen 2.787 N/A LYS 126.A N GLY 123.A O no hydrogen 3.319 N/A GLY 127.A N ASP 32.A OD1 no hydrogen 3.244 N/A ARG 128.A N MET 125.A O no hydrogen 2.952 N/A ARG 128.A NE CYS 189.A O no hydrogen 2.942 N/A ARG 128.A NH2 CYS 189.A O no hydrogen 2.949 N/A MET 130.A N HIS 33.A O no hydrogen 2.597 N/A TYR 131.A N THR 152.A O no hydrogen 2.771 N/A VAL 132.A N HIS 35.A O no hydrogen 2.746 N/A ILE 133.A N GLU 150.A O no hydrogen 2.878 N/A PHE 135.A N GLY 148.A O no hydrogen 2.923 N/A SER 136.A N ARG 166.A O no hydrogen 2.803 N/A SER 136.A OG GLY 138.A O no hydrogen 2.828 N/A MET 137.A N LYS 146.A O no hydrogen 2.703 N/A GLY 138.A N PRO 319.A O no hydrogen 3.031 N/A SER 142.A N PRO 139.A O no hydrogen 3.075 N/A LEU 144.A N SER 142.A OG no hydrogen 2.464 N/A SER 145.A N SER 142.A O no hydrogen 3.306 N/A SER 145.A OG MET 137.A O no hydrogen 3.452 N/A SER 145.A OG PRO 139.A O no hydrogen 2.826 N/A LYS 146.A N MET 137.A O no hydrogen 3.121 N/A GLY 148.A N PHE 135.A O no hydrogen 2.935 N/A ILE 149.A N VAL 181.A O no hydrogen 2.961 N/A GLU 150.A N ILE 133.A O no hydrogen 2.878 N/A LEU 151.A N CYS 183.A O no hydrogen 2.768 N/A THR 152.A N TYR 131.A O no hydrogen 3.131 N/A THR 152.A OG1 HIS 185.A ND1 no hydrogen 2.812 N/A SER 154.A N THR 152.A OG1 no hydrogen 2.967 N/A TYR 156.A OH THR 349.A OG1 no hydrogen 2.520 N/A VAL 157.A N SER 154.A OG no hydrogen 3.029 N/A VAL 158.A N SER 154.A O no hydrogen 3.072 N/A ALA 159.A N PRO 155.A O no hydrogen 2.986 N/A SER 160.A N TYR 156.A O no hydrogen 2.922 N/A SER 160.A OG TYR 156.A O no hydrogen 2.944 N/A MET 161.A N VAL 157.A O no hydrogen 2.848 N/A ARG 162.A N VAL 158.A O no hydrogen 2.883 N/A ARG 162.A NE GLY 39.A O no hydrogen 2.932 N/A ARG 162.A NH2 GLY 39.A O no hydrogen 3.042 N/A ILE 163.A N SER 160.A O no hydrogen 3.060 N/A MET 164.A N SER 160.A O no hydrogen 2.837 N/A THR 165.A N MET 161.A O no hydrogen 2.882 N/A THR 165.A OG1 MET 161.A O no hydrogen 2.730 N/A ARG 166.A NH1 GLU 320.A O no hydrogen 3.010 N/A ARG 166.A NH2 GLU 412.A OE2 no hydrogen 2.815 N/A GLY 168.A N PRO 134.A O no hydrogen 2.868 N/A THR 169.A N ASP 38.A O no hydrogen 2.884 N/A VAL 171.A N GLY 168.A O no hydrogen 3.124 N/A LEU 172.A N GLY 168.A O no hydrogen 3.427 N/A GLU 173.A N THR 169.A O no hydrogen 2.879 N/A ALA 174.A N PRO 170.A O no hydrogen 2.957 N/A LEU 175.A N VAL 171.A O no hydrogen 2.797 N/A GLY 176.A N LEU 172.A O no hydrogen 3.039 N/A GLY 178.A N LEU 175.A O no hydrogen 2.704 N/A VAL 181.A N ILE 147.A O no hydrogen 3.060 N/A LYS 182.A N ARG 217.A O no hydrogen 3.006 N/A LYS 182.A NZ ARG 216.A O no hydrogen 3.111 N/A LYS 182.A NZ GLU 218.A OE2 no hydrogen 3.169 N/A CYS 183.A N ILE 149.A O no hydrogen 3.055 N/A CYS 183.A SG VAL 181.A O no hydrogen 3.866 N/A LEU 184.A N ILE 219.A O no hydrogen 2.878 N/A HIS 185.A N LEU 151.A O no hydrogen 2.768 N/A HIS 185.A ND1 THR 152.A OG1 no hydrogen 2.812 N/A HIS 185.A NE2 SER 224.A O no hydrogen 2.785 N/A SER 186.A N SER 221.A O no hydrogen 2.940 N/A SER 186.A OG ASP 153.A OD2 no hydrogen 2.517 N/A VAL 187.A N ASP 153.A OD1 no hydrogen 2.971 N/A GLY 188.A N SER 186.A OG no hydrogen 3.018 N/A CYS 189.A SG VAL 187.A O no hydrogen 3.946 N/A CYS 189.A SG CYS 203.A O no hydrogen 3.262 N/A LEU 191.A N LYS 126.A O no hydrogen 2.687 N/A GLN 194.A NE2 PRO 192.A O no hydrogen 3.406 N/A ASN 199.A ND2 THR 71.A O no hydrogen 3.348 N/A TRP 201.A N VAL 198.A O no hydrogen 2.878 N/A TRP 201.A NE1 ASP 75.A OD2 no hydrogen 2.923 N/A CYS 203.A SG TRP 201.A O no hydrogen 4.015 N/A ASN 204.A N GLY 223.A O no hydrogen 2.748 N/A ASN 204.A ND2 GLY 188.A O no hydrogen 3.235 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.785 N/A LEU 207.A N ASN 204.A O no hydrogen 3.245 N/A LEU 207.A N ASN 204.A OD1 no hydrogen 3.314 N/A THR 208.A N PRO 205.A O no hydrogen 3.064 N/A THR 208.A OG1 ASN 204.A O no hydrogen 2.948 N/A THR 208.A OG1 PRO 205.A O no hydrogen 3.317 N/A LEU 209.A N PHE 222.A O no hydrogen 2.956 N/A ILE 210.A N LYS 82.A O no hydrogen 2.838 N/A ALA 211.A N ILE 220.A O no hydrogen 2.733 N/A HIS 212.A N VAL 84.A O no hydrogen 3.205 N/A HIS 212.A ND1 VAL 84.A O no hydrogen 2.710 N/A LEU 213.A N GLU 218.A O no hydrogen 2.823 N/A ARG 216.A N LEU 213.A O no hydrogen 2.880 N/A ARG 217.A N PRO 214.A O no hydrogen 3.120 N/A GLU 218.A N LEU 213.A O no hydrogen 3.309 N/A ILE 219.A N LYS 182.A O no hydrogen 2.890 N/A ILE 220.A N ALA 211.A O no hydrogen 2.859 N/A SER 221.A N LEU 184.A O no hydrogen 2.750 N/A SER 221.A OG ASN 229.A O no hydrogen 2.804 N/A PHE 222.A N LEU 209.A O no hydrogen 2.857 N/A GLY 223.A N SER 186.A O no hydrogen 2.727 N/A SER 224.A OG ASP 75.A OD1 no hydrogen 2.557 N/A SER 224.A OG ASP 75.A OD2 no hydrogen 3.287 N/A GLY 225.A N ASP 75.A OD2 no hydrogen 2.651 N/A TYR 226.A N SER 224.A OG no hydrogen 2.884 N/A TYR 226.A OH ASN 394.A O no hydrogen 3.023 N/A ASN 229.A N TYR 226.A O no hydrogen 2.721 N/A ASN 229.A ND2 ALA 77.A O no hydrogen 2.993 N/A ASN 229.A ND2 SER 224.A OG no hydrogen 2.971 N/A SER 230.A N TYR 226.A O no hydrogen 3.050 N/A SER 230.A N GLY 227.A O no hydrogen 3.077 N/A SER 230.A OG GLY 225.A O no hydrogen 2.794 N/A LEU 231.A N GLY 227.A O no hydrogen 2.786 N/A LEU 232.A N GLU 150.A OE1 no hydrogen 3.155 N/A LYS 234.A N LEU 231.A O no hydrogen 3.202 N/A LYS 234.A NZ ASP 302.A OD2 no hydrogen 2.925 N/A LYS 234.A NZ GLU 320.A OE2 no hydrogen 2.718 N/A LYS 235.A NZ HIS 255.A NE2 no hydrogen 3.065 N/A LYS 235.A NZ ASP 302.A OD1 no hydrogen 3.235 N/A LYS 235.A NZ ASP 302.A OD2 no hydrogen 2.699 N/A CYS 236.A SG HIS 212.A NE2 no hydrogen 3.503 N/A CYS 236.A SG GLY 228.A O no hydrogen 3.864 N/A PHE 237.A N LEU 232.A O no hydrogen 3.073 N/A ALA 238.A N GLY 233.A O no hydrogen 2.901 N/A LEU 239.A N LYS 234.A O no hydrogen 3.251 N/A LEU 239.A N LYS 235.A O no hydrogen 3.347 N/A ARG 240.A N LYS 235.A O no hydrogen 2.965 N/A ARG 240.A NE PRO 467.A O no hydrogen 3.284 N/A ARG 240.A NH1 HIS 212.A NE2 no hydrogen 2.878 N/A ARG 240.A NH2 PRO 467.A O no hydrogen 3.130 N/A MET 241.A N CYS 236.A O no hydrogen 3.052 N/A ALA 242.A N PHE 237.A O no hydrogen 2.964 N/A SER 243.A N LEU 239.A O no hydrogen 2.768 N/A SER 243.A OG LEU 239.A O no hydrogen 3.196 N/A SER 243.A OG ARG 240.A O no hydrogen 2.905 N/A ARG 244.A N ARG 240.A O no hydrogen 3.373 N/A LEU 245.A N MET 241.A O no hydrogen 2.961 N/A ALA 246.A N ALA 242.A O no hydrogen 2.702 N/A LYS 247.A N SER 243.A O no hydrogen 3.009 N/A GLU 248.A N ARG 244.A O no hydrogen 3.253 N/A GLU 248.A N LEU 245.A O no hydrogen 2.819 N/A GLU 249.A N LEU 245.A O no hydrogen 2.939 N/A TRP 251.A N ALA 246.A O no hydrogen 3.045 N/A TRP 251.A NE1 GLU 249.A OE1 no hydrogen 3.319 N/A LEU 252.A N MET 306.A O no hydrogen 2.818 N/A GLU 254.A N ALA 304.A O no hydrogen 2.835 N/A HIS 255.A ND1 ALA 464.A O no hydrogen 2.872 N/A HIS 255.A NE2 ASP 302.A OD1 no hydrogen 2.941 N/A MET 256.A N GLU 254.A O no hydrogen 2.882 N/A LEU 257.A N ALA 273.A O no hydrogen 3.029 N/A VAL 258.A N GLY 300.A O no hydrogen 2.840 N/A LEU 259.A N LEU 271.A O no hydrogen 2.912 N/A GLY 260.A N GLU 297.A O no hydrogen 2.803 N/A ILE 261.A N LYS 269.A O no hydrogen 2.781 N/A THR 262.A N LYS 295.A O no hydrogen 2.842 N/A ASN 263.A N GLU 267.A O no hydrogen 3.017 N/A GLY 266.A N ASN 263.A O no hydrogen 3.047 N/A GLU 267.A N ASN 263.A OD1 no hydrogen 3.046 N/A LYS 268.A NZ TYR 270.A OH no hydrogen 3.207 N/A LYS 268.A NZ GLU 297.A OE2 no hydrogen 2.856 N/A LYS 268.A NZ ASP 408.A OD2 no hydrogen 2.445 N/A LYS 269.A N ILE 261.A O no hydrogen 2.878 N/A LYS 269.A NZ GLU 267.A OE2 no hydrogen 2.740 N/A LYS 269.A NZ GLU 420.A OE1 no hydrogen 2.750 N/A LYS 269.A NZ ASP 528.A OD1 no hydrogen 3.013 N/A TYR 270.A OH ASP 408.A OD1 no hydrogen 2.500 N/A TYR 270.A OH ASP 408.A OD2 no hydrogen 3.068 N/A LEU 271.A N LEU 259.A O no hydrogen 2.773 N/A ALA 272.A N GLY 421.A O no hydrogen 2.779 N/A ALA 273.A N LEU 257.A O no hydrogen 3.012 N/A ALA 274.A N ILE 423.A O no hydrogen 2.727 N/A CYS 279.A SG PRO 276.A O no hydrogen 3.480 N/A CYS 279.A SG SER 277.A O no hydrogen 3.256 N/A LYS 281.A NZ ASP 302.A O no hydrogen 2.969 N/A LYS 281.A NZ ASP 302.A OD1 no hydrogen 3.083 N/A THR 282.A OG1 ASP 301.A OD2 no hydrogen 3.201 N/A LEU 284.A N GLY 280.A O no hydrogen 2.825 N/A ALA 285.A N LYS 281.A O no hydrogen 2.981 N/A MET 286.A N THR 282.A O no hydrogen 2.909 N/A MET 287.A N LEU 284.A O no hydrogen 3.111 N/A SER 290.A N GLY 514.A O no hydrogen 2.931 N/A SER 290.A OG GLY 514.A O no hydrogen 3.148 N/A SER 290.A OG GLU 515.A OE1 no hydrogen 2.758 N/A SER 290.A OG SER 517.A OG no hydrogen 3.318 N/A TRP 294.A N LEU 291.A O no hydrogen 3.347 N/A LYS 295.A N THR 262.A O no hydrogen 2.908 N/A GLU 297.A N GLY 260.A O no hydrogen 2.846 N/A CYS 298.A N ILE 406.A O no hydrogen 2.936 N/A VAL 299.A N VAL 258.A O no hydrogen 2.898 N/A GLY 300.A N VAL 258.A O no hydrogen 3.054 N/A ALA 304.A N GLU 254.A O no hydrogen 2.944 N/A TRP 305.A N ILE 317.A O no hydrogen 2.938 N/A TRP 305.A NE1 ALA 238.A O no hydrogen 2.778 N/A MET 306.A N LEU 252.A O no hydrogen 2.910 N/A LYS 307.A N ARG 315.A O no hydrogen 2.882 N/A ASP 309.A N HIS 313.A O no hydrogen 2.627 N/A GLN 311.A N ASP 309.A OD1 no hydrogen 2.949 N/A GLY 312.A N ASP 309.A O no hydrogen 2.863 N/A HIS 313.A N ASP 309.A OD1 no hydrogen 2.578 N/A ARG 315.A N LYS 307.A O no hydrogen 2.948 N/A ARG 315.A NE GLU 415.A O no hydrogen 3.364 N/A ARG 315.A NE GLY 416.A O no hydrogen 3.464 N/A ARG 315.A NH1 ASP 309.A OD2 no hydrogen 3.249 N/A ARG 315.A NH2 GLY 416.A O no hydrogen 3.071 N/A ALA 316.A N VAL 417.A O no hydrogen 2.795 N/A ILE 317.A N TRP 305.A O no hydrogen 2.816 N/A ASN 318.A ND2 VAL 299.A O no hydrogen 2.916 N/A GLU 320.A N ASN 318.A OD1 no hydrogen 2.705 N/A ASN 321.A N MET 164.A O no hydrogen 2.990 N/A ASN 321.A ND2 ILE 163.A O no hydrogen 3.577 N/A ASN 321.A ND2 THR 165.A O no hydrogen 3.106 N/A PHE 323.A N THR 399.A O no hydrogen 2.700 N/A GLY 325.A N PHE 397.A O no hydrogen 3.002 N/A ALA 327.A N SER 395.A O no hydrogen 2.834 N/A GLY 329.A N GLU 362.A O no hydrogen 2.713 N/A THR 330.A N ALA 327.A O no hydrogen 2.852 N/A THR 330.A OG1 VAL 326.A O no hydrogen 3.400 N/A THR 330.A OG1 ALA 327.A O no hydrogen 2.769 N/A SER 331.A N THR 334.A OG1 no hydrogen 3.046 N/A SER 331.A OG THR 334.A OG1 no hydrogen 3.308 N/A THR 334.A N SER 331.A OG no hydrogen 3.116 N/A THR 334.A OG1 GLY 329.A O no hydrogen 2.829 N/A THR 334.A OG1 SER 331.A O no hydrogen 3.554 N/A THR 334.A OG1 SER 331.A OG no hydrogen 3.308 N/A ASN 335.A N SER 331.A O no hydrogen 2.868 N/A ASN 337.A ND2 MET 286.A O no hydrogen 2.913 N/A ALA 338.A N ASN 335.A OD1 no hydrogen 3.051 N/A ILE 339.A N ASN 335.A O no hydrogen 3.172 N/A LYS 340.A N PRO 336.A O no hydrogen 3.084 N/A THR 341.A N ASN 337.A O no hydrogen 3.007 N/A THR 341.A OG1 ASN 337.A O no hydrogen 2.813 N/A ILE 342.A N ALA 338.A O no hydrogen 3.097 N/A GLN 343.A N LYS 340.A O no hydrogen 3.252 N/A GLN 343.A NE2 ILE 339.A O no hydrogen 2.676 N/A ASN 345.A N ASP 64.A O no hydrogen 2.888 N/A ASN 345.A ND2 GLN 403.A OE1 no hydrogen 2.628 N/A THR 346.A OG1 LYS 344.A O no hydrogen 2.909 N/A THR 346.A OG1 THR 399.A OG1 no hydrogen 2.897 N/A ILE 347.A N CYS 398.A O no hydrogen 3.163 N/A PHE 348.A N TRP 67.A O no hydrogen 2.795 N/A THR 349.A N ARG 396.A O no hydrogen 3.020 N/A THR 349.A OG1 TYR 156.A OH no hydrogen 2.520 N/A ASN 350.A N ALA 69.A O no hydrogen 2.841 N/A ASN 350.A ND2 THR 71.A OG1 no hydrogen 2.866 N/A ALA 352.A N TYR 360.A O no hydrogen 3.044 N/A GLU 353.A N THR 375.A O no hydrogen 2.789 N/A THR 354.A N GLY 358.A O no hydrogen 2.954 N/A THR 354.A OG1 ASP 356.A OD2 no hydrogen 2.441 N/A SER 355.A N THR 373.A O no hydrogen 2.774 N/A GLY 357.A N THR 354.A O no hydrogen 2.925 N/A GLY 358.A N THR 354.A OG1 no hydrogen 2.699 N/A VAL 359.A N TYR 63.A OH no hydrogen 2.751 N/A TYR 360.A N ALA 352.A O no hydrogen 2.821 N/A TYR 360.A OH GLU 366.A O no hydrogen 2.897 N/A TRP 361.A NE1 THR 330.A O no hydrogen 2.777 N/A ILE 364.A N TRP 361.A O no hydrogen 2.913 N/A VAL 372.A N ALA 369.A O no hydrogen 2.792 N/A THR 373.A N SER 355.A OG no hydrogen 3.136 N/A THR 375.A N GLU 353.A O no hydrogen 2.697 N/A SER 376.A N LYS 380.A O no hydrogen 2.873 N/A SER 376.A OG LYS 380.A O no hydrogen 3.470 N/A TRP 377.A N CYS 390.A O no hydrogen 2.875 N/A LYS 378.A N SER 376.A OG no hydrogen 3.070 N/A ASN 379.A N SER 376.A O no hydrogen 2.908 N/A ASN 379.A ND2 ASN 199.A OD1 no hydrogen 3.588 N/A TRP 382.A N ILE 374.A O no hydrogen 2.949 N/A TRP 382.A NE1 GLU 388.A O no hydrogen 2.869 N/A SER 383.A N ASP 386.A OD2 no hydrogen 2.895 N/A GLU 385.A N SER 383.A OG no hydrogen 2.616 N/A ASP 386.A N SER 383.A O no hydrogen 3.265 N/A CYS 390.A N GLU 362.A OE2 no hydrogen 2.671 N/A CYS 390.A SG GLU 362.A OE1 no hydrogen 3.738 N/A CYS 390.A SG GLU 362.A OE2 no hydrogen 3.612 N/A ALA 391.A N GLU 362.A OE1 no hydrogen 3.138 N/A HIS 392.A N ASN 350.A O no hydrogen 2.954 N/A ASN 394.A N HIS 392.A ND1 no hydrogen 2.974 N/A ASN 394.A ND2 VAL 76.A O no hydrogen 3.061 N/A SER 395.A N HIS 392.A O no hydrogen 2.877 N/A SER 395.A OG HIS 392.A O no hydrogen 2.654 N/A ARG 396.A N THR 349.A O no hydrogen 3.209 N/A ARG 396.A NE ASN 394.A O no hydrogen 3.340 N/A ARG 396.A NH1 PHE 324.A O no hydrogen 3.022 N/A ARG 396.A NH2 ASN 394.A OD1 no hydrogen 2.744 N/A PHE 397.A N GLY 325.A O no hydrogen 2.865 N/A CYS 398.A N ILE 347.A O no hydrogen 2.774 N/A CYS 398.A SG SER 160.A O no hydrogen 3.824 N/A THR 399.A N PHE 323.A O no hydrogen 2.860 N/A THR 399.A OG1 THR 341.A O no hydrogen 3.545 N/A THR 399.A OG1 THR 346.A OG1 no hydrogen 2.897 N/A ALA 401.A N ASN 321.A O no hydrogen 2.957 N/A GLN 403.A N PRO 400.A O no hydrogen 3.133 N/A GLN 403.A NE2 THR 341.A O no hydrogen 2.927 N/A GLN 403.A NE2 LYS 344.A O no hydrogen 2.674 N/A CYS 404.A N ALA 401.A O no hydrogen 2.971 N/A ILE 407.A N CYS 404.A O no hydrogen 3.009 N/A ASP 408.A N CYS 298.A O no hydrogen 2.740 N/A ALA 410.A N ASP 408.A OD1 no hydrogen 2.689 N/A TRP 411.A N ASP 408.A O no hydrogen 3.127 N/A SER 413.A N ALA 410.A O no hydrogen 3.015 N/A SER 413.A OG ALA 410.A O no hydrogen 3.300 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.520 N/A GLY 416.A N SER 413.A O no hydrogen 3.023 N/A VAL 417.A N ALA 316.A O no hydrogen 2.788 N/A ILE 419.A N LEU 314.A O no hydrogen 2.784 N/A GLU 420.A N TYR 270.A O no hydrogen 3.069 N/A ILE 422.A N LYS 493.A O no hydrogen 2.895 N/A ILE 423.A N ALA 272.A O no hydrogen 2.835 N/A PHE 424.A N PHE 495.A O no hydrogen 2.838 N/A ARG 427.A N SER 453.A OG no hydrogen 2.799 N/A ARG 427.A NE GLU 454.A O no hydrogen 2.991 N/A ARG 427.A NH1 ALA 278.A O no hydrogen 2.952 N/A ARG 427.A NH2 GLU 454.A OE1 no hydrogen 3.316 N/A ARG 428.A N ASN 498.A OD1 no hydrogen 3.261 N/A ARG 428.A NH1 GLU 569.A OE2 no hydrogen 2.845 N/A ARG 428.A NH2 GLU 569.A OE1 no hydrogen 2.893 N/A TYR 436.A N HIS 496.A O no hydrogen 2.880 N/A GLU 437.A N TYR 538.A O no hydrogen 2.889 N/A ALA 438.A N ILE 494.A O no hydrogen 2.955 N/A LEU 439.A N HIS 443.A ND1 no hydrogen 2.673 N/A SER 440.A OG GLN 442.A OE1 no hydrogen 3.484 N/A TRP 441.A NE1 TRP 480.A O no hydrogen 3.079 N/A HIS 443.A N SER 440.A OG no hydrogen 2.945 N/A GLY 444.A N SER 440.A O no hydrogen 2.737 N/A VAL 445.A N TRP 441.A O no hydrogen 2.825 N/A PHE 446.A N GLN 442.A O no hydrogen 3.044 N/A VAL 447.A N HIS 443.A O no hydrogen 2.758 N/A GLY 448.A N GLY 444.A O no hydrogen 3.071 N/A ALA 449.A N VAL 445.A O no hydrogen 2.889 N/A ALA 450.A N PHE 446.A O no hydrogen 2.799 N/A ALA 450.A N VAL 447.A O no hydrogen 3.194 N/A MET 451.A N GLY 448.A O no hydrogen 3.288 N/A ARG 452.A NH1 GLU 569.A OE2 no hydrogen 3.100 N/A SER 453.A N MET 459.A O no hydrogen 2.811 N/A GLU 454.A N ARG 427.A O no hydrogen 2.853 N/A ALA 455.A N ILE 457.A O no hydrogen 2.852 N/A MET 459.A N SER 453.A O no hydrogen 2.939 N/A HIS 460.A NE2 ASP 572.A OD1 no hydrogen 2.743 N/A ASP 461.A N MET 451.A O no hydrogen 2.928 N/A PHE 463.A N GLY 448.A O no hydrogen 2.827 N/A ALA 464.A N ASP 461.A O no hydrogen 2.877 N/A MET 465.A N PRO 462.A O no hydrogen 2.909 N/A ARG 466.A N ASP 461.A OD1 no hydrogen 2.940 N/A ARG 466.A NH1 GLU 80.A OE2 no hydrogen 2.649 N/A ARG 466.A NH1 GLN 103.A O no hydrogen 3.000 N/A ARG 466.A NH2 GLU 80.A OE1 no hydrogen 2.385 N/A ARG 466.A NH2 GLU 80.A OE2 no hydrogen 3.427 N/A PHE 468.A N MET 465.A O no hydrogen 2.798 N/A GLY 470.A N SER 243.A OG no hydrogen 2.807 N/A ASN 472.A N ASP 92.A O no hydrogen 3.052 N/A ASN 472.A ND2 ARG 91.A O no hydrogen 3.010 N/A ASN 472.A ND2 ASP 584.A OD2 no hydrogen 2.620 N/A LYS 475.A N ASN 472.A OD1 no hydrogen 3.144 N/A LYS 475.A NZ ASP 92.A OD1 no hydrogen 3.465 N/A TYR 476.A N ASN 472.A O no hydrogen 2.872 N/A TYR 476.A OH GLU 254.A OE1 no hydrogen 2.690 N/A TYR 476.A OH GLU 254.A OE2 no hydrogen 3.368 N/A LEU 477.A N PHE 473.A O no hydrogen 2.825 N/A ALA 478.A N GLY 474.A O no hydrogen 2.997 N/A HIS 479.A N LYS 475.A O no hydrogen 2.863 N/A HIS 479.A NE2 TRP 251.A O no hydrogen 3.019 N/A TRP 480.A N TYR 476.A O no hydrogen 2.916 N/A TRP 480.A NE1 GLU 254.A OE2 no hydrogen 2.802 N/A LEU 481.A N LEU 477.A O no hydrogen 3.012 N/A SER 482.A N ALA 478.A O no hydrogen 2.852 N/A SER 482.A OG HIS 479.A O no hydrogen 2.647 N/A MET 483.A N TRP 480.A O no hydrogen 2.982 N/A ALA 484.A N LEU 481.A O no hydrogen 3.162 N/A GLN 485.A N SER 482.A O no hydrogen 2.834 N/A HIS 486.A N MET 483.A O no hydrogen 3.199 N/A ALA 489.A N HIS 486.A O no hydrogen 2.837 N/A LYS 490.A N GLY 312.A O no hydrogen 2.947 N/A LYS 490.A NZ GLN 311.A O no hydrogen 2.767 N/A LYS 490.A NZ ALA 488.A O no hydrogen 2.694 N/A LYS 493.A N GLU 420.A O no hydrogen 3.021 N/A LYS 493.A NZ GLU 437.A OE2 no hydrogen 2.779 N/A PHE 495.A N ILE 422.A O no hydrogen 2.830 N/A HIS 496.A N TYR 436.A O no hydrogen 2.841 N/A VAL 497.A N PHE 424.A O no hydrogen 2.851 N/A ASN 498.A N LEU 434.A O no hydrogen 2.863 N/A ASN 498.A ND2 ARG 428.A O no hydrogen 2.825 N/A ASN 498.A ND2 VAL 432.A O no hydrogen 2.876 N/A PHE 500.A N ASN 498.A OD1 no hydrogen 3.003 N/A ARG 501.A NH1 LEU 558.A O no hydrogen 3.062 N/A ARG 501.A NH1 SER 560.A O no hydrogen 2.820 N/A ARG 501.A NH2 SER 560.A O no hydrogen 3.052 N/A LYS 502.A N PRO 429.A O no hydrogen 2.924 N/A ASP 503.A N LYS 507.A O no hydrogen 2.844 N/A GLU 505.A N ASP 503.A OD1 no hydrogen 2.945 N/A GLY 506.A N ASP 503.A O no hydrogen 2.741 N/A LYS 507.A N ASP 503.A OD1 no hydrogen 2.637 N/A LEU 509.A N ARG 501.A O no hydrogen 2.900 N/A TRP 510.A NE1 ASN 516.A OD1 no hydrogen 2.671 N/A GLU 515.A N GLY 512.A O no hydrogen 3.183 N/A ASN 516.A N PHE 513.A O no hydrogen 2.901 N/A SER 517.A N GLY 514.A O no hydrogen 3.109 N/A SER 517.A OG SER 290.A OG no hydrogen 3.318 N/A SER 517.A OG GLY 514.A O no hydrogen 2.700 N/A ARG 518.A N GLU 515.A O no hydrogen 2.851 N/A ARG 518.A NE GLU 515.A OE1 no hydrogen 2.760 N/A ARG 518.A NH1 ASN 546.A O no hydrogen 2.866 N/A ARG 518.A NH1 LYS 548.A O no hydrogen 2.937 N/A ARG 518.A NH2 GLU 515.A OE1 no hydrogen 3.097 N/A ARG 518.A NH2 LYS 548.A O no hydrogen 2.873 N/A VAL 519.A N ASN 516.A O no hydrogen 2.939 N/A LEU 520.A N ASN 516.A O no hydrogen 3.140 N/A GLU 521.A N SER 517.A O no hydrogen 2.828 N/A TRP 522.A N ARG 518.A O no hydrogen 3.225 N/A MET 523.A N VAL 519.A O no hydrogen 3.176 N/A PHE 524.A N LEU 520.A O no hydrogen 2.916 N/A ASN 525.A N GLU 521.A O no hydrogen 2.978 N/A ARG 526.A N TRP 522.A O no hydrogen 2.831 N/A ARG 526.A NE GLU 437.A OE1 no hydrogen 2.518 N/A ARG 526.A NH2 GLU 437.A OE1 no hydrogen 3.359 N/A ARG 526.A NH2 GLU 437.A OE2 no hydrogen 2.781 N/A ILE 527.A N MET 523.A O no hydrogen 2.706 N/A ASP 528.A N PHE 524.A O no hydrogen 3.087 N/A GLY 529.A N ARG 526.A O no hydrogen 2.704 N/A LYS 532.A N ILE 539.A O no hydrogen 2.945 N/A THR 534.A N GLY 537.A O no hydrogen 2.935 N/A THR 534.A OG1 GLY 537.A O no hydrogen 2.614 N/A ILE 536.A N THR 534.A OG1 no hydrogen 3.035 N/A GLY 537.A N THR 534.A O no hydrogen 3.245 N/A TYR 538.A N GLU 437.A O no hydrogen 2.875 N/A ILE 539.A N LYS 532.A O no hydrogen 2.992 N/A LYS 541.A N SER 530.A O no hydrogen 3.399 N/A LYS 541.A NZ THR 531.A O no hydrogen 3.391 N/A ALA 544.A N LYS 541.A O no hydrogen 2.891 N/A ASN 546.A ND2 GLU 521.A OE1 no hydrogen 3.256 N/A LYS 548.A N ASN 546.A OD1 no hydrogen 2.995 N/A LEU 550.A N LEU 547.A O no hydrogen 3.004 N/A MET 555.A N ILE 553.A O no hydrogen 2.868 N/A GLU 557.A N ASN 554.A O no hydrogen 3.265 N/A GLU 557.A N ASN 554.A OD1 no hydrogen 3.113 N/A LEU 558.A N ASN 554.A O no hydrogen 3.072 N/A PHE 559.A N MET 555.A O no hydrogen 2.827 N/A SER 560.A N GLU 557.A O no hydrogen 3.334 N/A PHE 565.A N SER 562.A OG no hydrogen 3.041 N/A TRP 566.A N SER 562.A O no hydrogen 2.957 N/A TRP 566.A NE1 GLY 431.A O no hydrogen 3.091 N/A ASP 567.A N LYS 563.A O no hydrogen 2.721 N/A LYS 568.A N GLU 564.A O no hydrogen 3.417 N/A GLU 569.A N PHE 565.A O no hydrogen 2.944 N/A VAL 570.A N TRP 566.A O no hydrogen 2.970 N/A GLU 571.A N ASP 567.A O no hydrogen 3.238 N/A ASP 572.A N LYS 568.A O no hydrogen 2.825 N/A ILE 573.A N GLU 569.A O no hydrogen 2.851 N/A GLU 574.A N VAL 570.A O no hydrogen 2.760 N/A LYS 575.A N GLU 571.A O no hydrogen 2.922 N/A TYR 576.A N ASP 572.A O no hydrogen 2.888 N/A LEU 577.A N ILE 573.A O no hydrogen 2.851 N/A VAL 578.A N GLU 574.A O no hydrogen 2.932 N/A ASP 579.A N LYS 575.A O no hydrogen 2.872 N/A GLN 580.A N TYR 576.A O no hydrogen 2.849 N/A GLN 580.A NE2 LEU 101.A O no hydrogen 3.539 N/A VAL 581.A N LEU 577.A O no hydrogen 2.872 N/A ASN 582.A N VAL 578.A O no hydrogen 2.960 N/A ASN 582.A ND2 ILE 96.A O no hydrogen 2.912 N/A ASP 584.A N VAL 581.A O no hydrogen 2.848 N/A LEU 585.A N ASN 582.A O no hydrogen 3.204 N/A ILE 589.A N PRO 586.A O no hydrogen 2.960 N/A GLU 590.A N PRO 586.A O no hydrogen 3.261 N/A ARG 591.A N CYS 587.A O no hydrogen 2.933 N/A GLU 592.A N GLU 588.A O no hydrogen 2.962 N/A ILE 593.A N ILE 589.A O no hydrogen 2.800 N/A LEU 594.A N GLU 590.A O no hydrogen 2.967 N/A ALA 595.A N ARG 591.A O no hydrogen 2.893 N/A LEU 596.A N GLU 592.A O no hydrogen 3.181 N/A LEU 596.A N ILE 593.A O no hydrogen 3.233 N/A LYS 597.A N ILE 593.A O no hydrogen 3.145 N/A LYS 597.A NZ GLU 574.A OE1 no hydrogen 2.565 N/A LYS 597.A NZ GLU 574.A OE2 no hydrogen 3.389 N/A GLN 598.A N LEU 594.A O no hydrogen 2.657 N/A ARG 599.A N ALA 595.A O no hydrogen 2.799 N/A ARG 599.A NE PRO 535.A O no hydrogen 2.661 N/A ARG 599.A NH2 PRO 535.A O no hydrogen 3.433 N/A ILE 600.A N LEU 596.A O no hydrogen 2.765 N/A SER 601.A N LYS 597.A O no hydrogen 2.927 N/A SER 601.A OG GLN 598.A O no hydrogen 2.617 N/A SER 601.A OG GLN 602.A OE1 no hydrogen 3.523 N/A GLN 602.A N ARG 599.A O no hydrogen 3.033 N/A MET 603.A N ILE 600.A O no hydrogen 3.121 N/A