Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 5.A OE2 no hydrogen 3.000 N/A SER 4.A OG CYS 61.A O no hydrogen 2.908 N/A ALA 7.A N SER 4.A OG no hydrogen 3.178 N/A HIS 8.A N SER 4.A O no hydrogen 2.931 N/A ARG 9.A N GLU 5.A O no hydrogen 2.776 N/A ARG 9.A NE GLU 5.A OE1 no hydrogen 3.074 N/A ARG 9.A NH1 ASP 254.A OD2 no hydrogen 2.868 N/A ARG 9.A NH2 ASP 254.A OD1 no hydrogen 2.861 N/A ARG 9.A NH2 ASP 254.A OD2 no hydrogen 2.570 N/A PHE 10.A N VAL 6.A O no hydrogen 2.939 N/A LYS 11.A N ALA 7.A O no hydrogen 2.919 N/A ASP 12.A N HIS 8.A O no hydrogen 3.013 N/A LEU 13.A N ARG 9.A O no hydrogen 2.890 N/A GLY 14.A N PHE 10.A O no hydrogen 2.860 N/A ASN 17.A ND2 LEU 13.A O no hydrogen 3.456 N/A PHE 18.A N GLY 14.A O no hydrogen 2.938 N/A LYS 19.A N GLU 15.A O no hydrogen 2.914 N/A ALA 20.A N GLU 16.A O no hydrogen 3.169 N/A LEU 21.A N ASN 17.A O no hydrogen 2.909 N/A VAL 22.A N PHE 18.A O no hydrogen 2.915 N/A LEU 23.A N LYS 19.A O no hydrogen 3.071 N/A ILE 24.A N ALA 20.A O no hydrogen 2.996 N/A ALA 25.A N LEU 21.A O no hydrogen 2.881 N/A PHE 26.A N VAL 22.A O no hydrogen 2.931 N/A ALA 27.A N LEU 23.A O no hydrogen 2.880 N/A GLN 28.A N ILE 24.A O no hydrogen 2.849 N/A GLN 28.A NE2 HIS 145.A O no hydrogen 3.062 N/A GLN 28.A NE2 PHE 148.A O no hydrogen 2.895 N/A TYR 29.A N PHE 26.A O no hydrogen 3.053 N/A LEU 30.A N PHE 26.A O no hydrogen 2.671 N/A GLN 31.A NE2 ASP 106.A O no hydrogen 2.659 N/A GLN 31.A NE2 ARG 143.A O no hydrogen 2.751 N/A GLN 32.A N TYR 83.A OH no hydrogen 2.783 N/A CYS 33.A N LEU 30.A O no hydrogen 3.005 N/A CYS 33.A SG TYR 83.A OH no hydrogen 3.115 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.632 N/A HIS 38.A N PRO 34.A O no hydrogen 3.215 N/A HIS 38.A NE2 LEU 30.A O no hydrogen 3.011 N/A VAL 39.A N PHE 35.A O no hydrogen 2.893 N/A LYS 40.A N GLU 36.A O no hydrogen 3.025 N/A LYS 40.A NZ GLU 44.A OE1 no hydrogen 2.560 N/A LEU 41.A N ASP 37.A O no hydrogen 2.996 N/A VAL 42.A N HIS 38.A O no hydrogen 2.809 N/A ASN 43.A N VAL 39.A O no hydrogen 2.963 N/A GLU 44.A N LYS 40.A O no hydrogen 2.947 N/A VAL 45.A N LEU 41.A O no hydrogen 2.884 N/A THR 46.A N VAL 42.A O no hydrogen 2.755 N/A THR 46.A OG1 VAL 42.A O no hydrogen 2.669 N/A GLU 47.A N ASN 43.A O no hydrogen 2.843 N/A PHE 48.A N GLU 44.A O no hydrogen 3.098 N/A ALA 49.A N VAL 45.A O no hydrogen 2.878 N/A LYS 50.A N THR 46.A O no hydrogen 2.965 N/A LYS 50.A NZ GLU 15.A OE1 no hydrogen 2.914 N/A LYS 50.A NZ GLU 15.A OE2 no hydrogen 3.240 N/A THR 51.A N GLU 47.A O no hydrogen 3.286 N/A THR 51.A N PHE 48.A O no hydrogen 2.840 N/A THR 51.A OG1 PHE 48.A O no hydrogen 2.567 N/A CYS 52.A N PHE 48.A O no hydrogen 3.181 N/A CYS 52.A SG PHE 48.A O no hydrogen 3.517 N/A VAL 53.A N ALA 49.A O no hydrogen 2.853 N/A ALA 54.A N LYS 50.A O no hydrogen 2.861 N/A ASP 55.A N THR 51.A O no hydrogen 2.828 N/A SER 57.A N ASP 55.A OD2 no hydrogen 2.801 N/A ALA 58.A N ASP 55.A O no hydrogen 2.889 N/A CYS 61.A N ALA 58.A O no hydrogen 3.041 N/A CYS 61.A SG ASP 55.A O no hydrogen 3.989 N/A CYS 61.A SG GLU 59.A O no hydrogen 3.947 N/A LYS 63.A N ASN 60.A O no hydrogen 3.126 N/A LYS 63.A NZ ASN 60.A OD1 no hydrogen 3.071 N/A SER 64.A OG THR 67.A OG1 no hydrogen 2.898 N/A HIS 66.A NE2 GLU 251.A OE1 no hydrogen 2.644 N/A THR 67.A N SER 64.A OG no hydrogen 3.052 N/A THR 67.A OG1 SER 64.A OG no hydrogen 2.898 N/A LEU 68.A N SER 64.A O no hydrogen 2.989 N/A PHE 69.A N LEU 65.A O no hydrogen 2.812 N/A GLY 70.A N HIS 66.A O no hydrogen 2.839 N/A ASP 71.A N THR 67.A O no hydrogen 2.887 N/A LYS 72.A N LEU 68.A O no hydrogen 3.037 N/A LYS 72.A NZ GLU 44.A OE2 no hydrogen 2.673 N/A LEU 73.A N PHE 69.A O no hydrogen 2.968 N/A CYS 74.A N GLY 70.A O no hydrogen 2.928 N/A CYS 74.A SG GLY 70.A O no hydrogen 3.275 N/A THR 75.A N LYS 72.A O no hydrogen 3.164 N/A THR 75.A OG1 LYS 72.A O no hydrogen 2.729 N/A VAL 76.A N LEU 73.A O no hydrogen 3.177 N/A LEU 79.A N VAL 76.A O no hydrogen 3.178 N/A ARG 80.A NH1 ASP 88.A OD2 no hydrogen 2.704 N/A ARG 80.A NH2 ASP 88.A OD2 no hydrogen 3.045 N/A THR 82.A N THR 78.A O no hydrogen 2.782 N/A THR 82.A OG1 THR 78.A O no hydrogen 3.242 N/A TYR 83.A N LEU 79.A O no hydrogen 2.654 N/A GLY 84.A N ARG 80.A O no hydrogen 2.726 N/A MET 86.A N TYR 83.A O no hydrogen 3.094 N/A ALA 87.A N GLY 84.A O no hydrogen 2.829 N/A ASP 88.A N GLU 85.A O no hydrogen 2.765 N/A CYS 89.A N MET 86.A O no hydrogen 2.980 N/A CYS 90.A N ALA 87.A O no hydrogen 3.204 N/A ALA 91.A N ASP 88.A O no hydrogen 3.083 N/A LYS 92.A N CYS 89.A O no hydrogen 3.046 N/A ARG 97.A N GLN 93.A O no hydrogen 2.804 N/A ARG 97.A NE GLU 94.A OE2 no hydrogen 2.572 N/A ARG 97.A NH1 THR 67.A O no hydrogen 2.875 N/A ARG 97.A NH1 ASP 71.A OD2 no hydrogen 3.037 N/A ARG 97.A NH1 GLU 94.A OE2 no hydrogen 2.807 N/A ARG 97.A NH2 ASP 71.A OD2 no hydrogen 2.771 N/A ASN 98.A N GLU 94.A O no hydrogen 2.726 N/A ASN 98.A N GLU 94.A OE1 no hydrogen 3.292 N/A ASN 98.A ND2 ASP 248.A OD2 no hydrogen 3.098 N/A GLU 99.A N PRO 95.A O no hydrogen 3.426 N/A CYS 100.A N GLU 96.A O no hydrogen 2.956 N/A PHE 101.A N ARG 97.A O no hydrogen 2.940 N/A LEU 102.A N ASN 98.A O no hydrogen 2.850 N/A GLN 103.A N GLU 99.A O no hydrogen 2.867 N/A HIS 104.A N PHE 101.A O no hydrogen 2.973 N/A LYS 105.A N LEU 102.A O no hydrogen 3.356 N/A ASP 106.A N GLN 31.A OE1 no hydrogen 2.931 N/A ASN 108.A N ASP 106.A OD1 no hydrogen 2.627 N/A ARG 116.A NH1 ASP 182.A OD2 no hydrogen 2.567 N/A ARG 116.A NH2 ASP 182.A OD2 no hydrogen 2.801 N/A MET 122.A N GLU 118.A O no hydrogen 2.901 N/A CYS 123.A N VAL 119.A O no hydrogen 2.893 N/A THR 124.A N ASP 120.A O no hydrogen 3.013 N/A THR 124.A OG1 ASP 120.A O no hydrogen 2.711 N/A ALA 125.A N VAL 121.A O no hydrogen 2.923 N/A PHE 126.A N MET 122.A O no hydrogen 2.745 N/A HIS 127.A N CYS 123.A O no hydrogen 2.906 N/A ASP 128.A N THR 124.A O no hydrogen 2.899 N/A ASN 129.A N ALA 125.A O no hydrogen 3.124 N/A THR 132.A OG1 ASN 129.A OD1 no hydrogen 2.708 N/A PHE 133.A N ASN 129.A O no hydrogen 2.892 N/A LEU 134.A N GLU 130.A O no hydrogen 2.873 N/A LYS 135.A N GLU 131.A O no hydrogen 2.799 N/A LYS 136.A N THR 132.A O no hydrogen 2.703 N/A TYR 137.A N PHE 133.A O no hydrogen 3.341 N/A LEU 138.A N LEU 134.A O no hydrogen 2.966 N/A TYR 139.A N LYS 135.A O no hydrogen 2.864 N/A TYR 139.A OH CYS 33.A O no hydrogen 2.590 N/A GLU 140.A N LYS 136.A O no hydrogen 3.007 N/A ILE 141.A N TYR 137.A O no hydrogen 2.912 N/A ALA 142.A N LEU 138.A O no hydrogen 2.936 N/A ARG 143.A N TYR 139.A O no hydrogen 3.050 N/A ARG 143.A NE GLU 140.A OE1 no hydrogen 3.099 N/A ARG 143.A NH1 GLU 140.A OE1 no hydrogen 3.079 N/A ARG 143.A NH2 GLN 31.A O no hydrogen 2.934 N/A ARG 144.A N ILE 141.A O no hydrogen 3.172 N/A ARG 144.A NE PRO 112.A O no hydrogen 3.017 N/A ARG 144.A NH1 PRO 112.A O no hydrogen 2.680 N/A ARG 144.A NH2 GLU 140.A O no hydrogen 2.880 N/A ARG 144.A NH2 GLU 140.A OE1 no hydrogen 2.890 N/A HIS 145.A N ALA 142.A O no hydrogen 2.989 N/A HIS 145.A ND1 ILE 141.A O no hydrogen 3.060 N/A TYR 147.A OH LEU 102.A O no hydrogen 3.175 N/A PHE 148.A N HIS 145.A O no hydrogen 3.063 N/A TYR 149.A N GLN 195.A OE1 no hydrogen 3.189 N/A LEU 153.A N TYR 149.A O no hydrogen 3.319 N/A LEU 153.A N ALA 150.A O no hydrogen 2.825 N/A LEU 154.A N ALA 150.A O no hydrogen 3.295 N/A LEU 154.A N PRO 151.A O no hydrogen 2.902 N/A PHE 155.A N PRO 151.A O no hydrogen 3.254 N/A PHE 155.A N GLU 152.A O no hydrogen 3.080 N/A PHE 156.A N GLU 152.A O no hydrogen 3.186 N/A ALA 157.A N LEU 153.A O no hydrogen 2.943 N/A LYS 158.A N LEU 154.A O no hydrogen 3.125 N/A LYS 158.A NZ ASN 17.A OD1 no hydrogen 3.261 N/A ARG 159.A N PHE 155.A O no hydrogen 3.211 N/A ARG 159.A NH1 GLU 187.A OE2 no hydrogen 2.669 N/A ARG 159.A NH2 GLU 187.A OE1 no hydrogen 2.697 N/A ARG 159.A NH2 GLU 187.A OE2 no hydrogen 3.320 N/A TYR 160.A N PHE 156.A O no hydrogen 2.832 N/A LYS 161.A N ALA 157.A O no hydrogen 2.838 N/A ALA 162.A N LYS 158.A O no hydrogen 3.129 N/A ALA 163.A N ARG 159.A O no hydrogen 3.027 N/A PHE 164.A N TYR 160.A O no hydrogen 2.917 N/A THR 165.A N LYS 161.A O no hydrogen 2.891 N/A THR 165.A OG1 LYS 161.A O no hydrogen 2.754 N/A GLU 166.A N ALA 162.A O no hydrogen 2.984 N/A CYS 167.A N ALA 163.A O no hydrogen 2.886 N/A CYS 168.A N PHE 164.A O no hydrogen 2.936 N/A GLN 169.A NE2 THR 165.A O no hydrogen 2.806 N/A ALA 170.A N CYS 167.A O no hydrogen 3.385 N/A ALA 175.A N ASP 172.A OD2 no hydrogen 3.338 N/A CYS 176.A N ASP 172.A O no hydrogen 3.167 N/A CYS 176.A N LYS 173.A O no hydrogen 3.167 N/A LEU 177.A N LYS 173.A O no hydrogen 2.754 N/A LEU 178.A N ALA 174.A O no hydrogen 2.977 N/A LEU 181.A N LEU 177.A O no hydrogen 2.923 N/A ASP 182.A N LEU 178.A O no hydrogen 2.770 N/A GLU 183.A N PRO 179.A O no hydrogen 2.982 N/A LEU 184.A N LYS 180.A O no hydrogen 2.951 N/A ARG 185.A N LEU 181.A O no hydrogen 2.904 N/A ARG 185.A NE ASP 186.A OD1 no hydrogen 2.830 N/A ASP 186.A N ASP 182.A O no hydrogen 2.940 N/A GLU 187.A N GLU 183.A O no hydrogen 2.809 N/A GLY 188.A N LEU 184.A O no hydrogen 2.798 N/A LYS 189.A N ARG 185.A O no hydrogen 2.963 N/A ALA 190.A N ASP 186.A O no hydrogen 2.874 N/A SER 191.A N GLU 187.A O no hydrogen 2.767 N/A SER 191.A OG GLU 152.A OE1 no hydrogen 3.440 N/A SER 191.A OG GLU 152.A OE2 no hydrogen 2.384 N/A SER 192.A N GLY 188.A O no hydrogen 2.979 N/A ALA 193.A N LYS 189.A O no hydrogen 2.847 N/A LYS 194.A N ALA 190.A O no hydrogen 2.650 N/A GLN 195.A N SER 191.A O no hydrogen 2.819 N/A GLN 195.A NE2 SER 191.A O no hydrogen 3.329 N/A GLN 195.A NE2 SER 191.A OG no hydrogen 2.902 N/A ARG 196.A N SER 192.A O no hydrogen 3.121 N/A LEU 197.A N ALA 193.A O no hydrogen 2.790 N/A LYS 198.A N LYS 194.A O no hydrogen 3.018 N/A CYS 199.A N GLN 195.A O no hydrogen 3.449 N/A CYS 199.A SG GLN 195.A O no hydrogen 3.434 N/A ALA 200.A N ARG 196.A O no hydrogen 2.875 N/A SER 201.A N LEU 197.A O no hydrogen 2.787 N/A LEU 202.A N LYS 198.A O no hydrogen 2.924 N/A GLN 203.A N CYS 199.A O no hydrogen 3.039 N/A LYS 204.A N ALA 200.A O no hydrogen 2.953 N/A PHE 205.A N SER 201.A O no hydrogen 2.921 N/A GLY 206.A N LEU 202.A O no hydrogen 2.994 N/A ARG 208.A NE ASP 323.A OD1 no hydrogen 2.850 N/A ARG 208.A NE ASP 323.A OD2 no hydrogen 3.060 N/A ARG 208.A NH2 ASP 323.A OD1 no hydrogen 2.924 N/A ARG 208.A NH2 GLU 353.A OE1 no hydrogen 2.777 N/A PHE 210.A N GLY 206.A O no hydrogen 3.362 N/A LYS 211.A N GLU 207.A O no hydrogen 2.846 N/A ALA 212.A N ARG 208.A O no hydrogen 2.938 N/A TRP 213.A N ALA 209.A O no hydrogen 3.142 N/A ALA 214.A N PHE 210.A O no hydrogen 2.811 N/A VAL 215.A N LYS 211.A O no hydrogen 2.854 N/A ALA 216.A N ALA 212.A O no hydrogen 3.120 N/A ARG 217.A N TRP 213.A O no hydrogen 2.948 N/A LEU 218.A N ALA 214.A O no hydrogen 2.806 N/A SER 219.A N VAL 215.A O no hydrogen 2.922 N/A SER 219.A OG VAL 215.A O no hydrogen 2.659 N/A GLN 220.A N ALA 216.A O no hydrogen 3.133 N/A GLN 220.A NE2 HIS 337.A O no hydrogen 2.878 N/A GLN 220.A NE2 TYR 340.A O no hydrogen 2.808 N/A ARG 221.A N ARG 217.A O no hydrogen 3.139 N/A ARG 221.A NH2 ALA 290.A O no hydrogen 2.992 N/A ARG 221.A NH2 VAL 292.A O no hydrogen 2.772 N/A PHE 222.A N LEU 218.A O no hydrogen 2.726 N/A LYS 224.A NZ ASP 295.A OD2 no hydrogen 3.144 N/A LYS 224.A NZ GLU 296.A O no hydrogen 2.582 N/A ALA 225.A N PHE 222.A O no hydrogen 3.107 N/A GLU 229.A N GLU 226.A O no hydrogen 3.071 N/A VAL 230.A N GLU 226.A O no hydrogen 3.044 N/A SER 231.A N PHE 227.A O no hydrogen 2.741 N/A LYS 232.A N ALA 228.A O no hydrogen 3.000 N/A LYS 232.A NZ ASP 236.A OD1 no hydrogen 2.879 N/A LEU 233.A N GLU 229.A O no hydrogen 2.891 N/A VAL 234.A N VAL 230.A O no hydrogen 2.790 N/A THR 235.A N SER 231.A O no hydrogen 3.048 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.319 N/A ASP 236.A N LYS 232.A O no hydrogen 3.043 N/A LEU 237.A N LEU 233.A O no hydrogen 2.767 N/A THR 238.A N VAL 234.A O no hydrogen 2.849 N/A LYS 239.A N THR 235.A O no hydrogen 3.127 N/A LYS 239.A NZ GLU 243.A OE2 no hydrogen 3.004 N/A VAL 240.A N ASP 236.A O no hydrogen 2.981 N/A HIS 241.A N LEU 237.A O no hydrogen 2.841 N/A THR 242.A N THR 238.A O no hydrogen 2.885 N/A THR 242.A OG1 THR 238.A O no hydrogen 2.837 N/A GLU 243.A N LYS 239.A O no hydrogen 2.911 N/A CYS 244.A N VAL 240.A O no hydrogen 2.768 N/A CYS 244.A SG VAL 240.A O no hydrogen 3.043 N/A CYS 245.A N HIS 241.A O no hydrogen 2.953 N/A CYS 245.A SG HIS 241.A O no hydrogen 3.142 N/A HIS 246.A N THR 242.A O no hydrogen 3.235 N/A HIS 246.A N GLU 243.A O no hydrogen 3.005 N/A HIS 246.A NE2 GLU 99.A OE1 no hydrogen 2.829 N/A GLY 247.A N CYS 244.A O no hydrogen 3.005 N/A GLU 251.A N ASP 248.A OD1 no hydrogen 2.864 N/A CYS 252.A N ASP 248.A O no hydrogen 2.989 N/A ALA 253.A N LEU 249.A O no hydrogen 2.762 N/A ASP 254.A N LEU 250.A O no hydrogen 2.865 N/A ASP 255.A N GLU 251.A O no hydrogen 3.028 N/A ARG 256.A N CYS 252.A O no hydrogen 2.922 N/A ARG 256.A NE SER 286.A OG no hydrogen 3.079 N/A ARG 256.A NH1 SER 286.A OG no hydrogen 2.915 N/A ALA 257.A N ALA 253.A O no hydrogen 2.840 N/A ASP 258.A N ASP 254.A O no hydrogen 2.836 N/A LEU 259.A N ASP 255.A O no hydrogen 3.009 N/A ALA 260.A N ARG 256.A O no hydrogen 2.889 N/A LYS 261.A N ALA 257.A O no hydrogen 2.893 N/A LYS 261.A NZ GLU 265.A OE2 no hydrogen 2.582 N/A TYR 262.A N ASP 258.A O no hydrogen 2.896 N/A TYR 262.A OH GLU 229.A OE1 no hydrogen 2.533 N/A TYR 262.A OH GLU 229.A OE2 no hydrogen 3.401 N/A ILE 263.A N LEU 259.A O no hydrogen 2.855 N/A CYS 264.A N ALA 260.A O no hydrogen 2.837 N/A CYS 264.A SG ALA 260.A O no hydrogen 3.311 N/A GLU 265.A N LYS 261.A O no hydrogen 3.035 N/A GLU 265.A N TYR 262.A O no hydrogen 3.118 N/A ASN 266.A N ILE 263.A O no hydrogen 3.023 N/A ASN 266.A ND2 TYR 262.A O no hydrogen 2.715 N/A SER 269.A N ASN 266.A O no hydrogen 2.923 N/A SER 269.A OG ASN 266.A O no hydrogen 2.780 N/A ILE 270.A N GLN 267.A O no hydrogen 2.939 N/A SER 271.A N GLN 267.A O no hydrogen 2.954 N/A SER 272.A N ASP 295.A OD2 no hydrogen 3.463 N/A SER 272.A OG ASP 295.A OD1 no hydrogen 3.034 N/A LYS 273.A N SER 271.A OG no hydrogen 3.248 N/A LYS 273.A NZ ASN 294.A O no hydrogen 2.889 N/A LYS 273.A NZ GLU 296.A OE1 no hydrogen 2.885 N/A LYS 275.A NZ GLU 279.A OE2 no hydrogen 2.844 N/A CYS 278.A N LEU 274.A O no hydrogen 2.984 N/A CYS 278.A N LYS 275.A O no hydrogen 3.143 N/A CYS 278.A SG LEU 274.A O no hydrogen 3.286 N/A LYS 280.A N CYS 277.A O no hydrogen 3.275 N/A GLU 284.A N PRO 281.A O no hydrogen 2.964 N/A LYS 285.A N PRO 281.A O no hydrogen 3.155 N/A LYS 285.A N LEU 282.A O no hydrogen 3.305 N/A CYS 288.A N GLU 284.A O no hydrogen 2.959 N/A ILE 289.A N LYS 285.A O no hydrogen 2.851 N/A ALA 290.A N SER 286.A O no hydrogen 2.901 N/A GLU 291.A N CYS 288.A O no hydrogen 3.096 N/A VAL 292.A N ILE 289.A O no hydrogen 3.186 N/A ASP 295.A N ARG 221.A O no hydrogen 2.847 N/A GLU 296.A N ASP 295.A OD1 no hydrogen 2.707 N/A PHE 308.A N LEU 304.A O no hydrogen 2.917 N/A VAL 309.A N ALA 305.A O no hydrogen 2.935 N/A GLU 310.A N ALA 305.A O no hydrogen 2.711 N/A SER 311.A N ALA 306.A O no hydrogen 2.850 N/A ASP 313.A N SER 311.A OG no hydrogen 3.263 N/A ASN 317.A N ASP 313.A O no hydrogen 2.719 N/A TYR 318.A N VAL 314.A O no hydrogen 2.873 N/A TYR 318.A OH GLU 357.A OE2 no hydrogen 2.454 N/A ALA 319.A N CYS 315.A O no hydrogen 2.823 N/A GLU 320.A N LYS 316.A O no hydrogen 3.260 N/A ALA 321.A N TYR 318.A O no hydrogen 3.250 N/A LYS 322.A NZ GLU 357.A OE1 no hydrogen 3.563 N/A LYS 322.A NZ GLU 357.A OE2 no hydrogen 2.776 N/A PHE 325.A N ALA 321.A O no hydrogen 2.924 N/A LEU 326.A N LYS 322.A O no hydrogen 2.834 N/A GLY 327.A N ASP 323.A O no hydrogen 2.810 N/A MET 328.A N VAL 324.A O no hydrogen 2.933 N/A PHE 329.A N PHE 325.A O no hydrogen 2.947 N/A LEU 330.A N LEU 326.A O no hydrogen 2.879 N/A TYR 331.A N GLY 327.A O no hydrogen 2.831 N/A TYR 331.A OH ALA 225.A O no hydrogen 2.722 N/A GLU 332.A N MET 328.A O no hydrogen 2.900 N/A TYR 333.A N PHE 329.A O no hydrogen 2.894 N/A ALA 334.A N LEU 330.A O no hydrogen 2.808 N/A ARG 335.A N TYR 331.A O no hydrogen 2.998 N/A ARG 335.A NE PRO 223.A O no hydrogen 2.962 N/A ARG 335.A NH1 PRO 223.A O no hydrogen 2.723 N/A ARG 335.A NH2 GLU 332.A OE1 no hydrogen 3.107 N/A ARG 336.A NE PRO 302.A O no hydrogen 3.014 N/A ARG 336.A NH1 PRO 302.A O no hydrogen 2.645 N/A ARG 336.A NH2 GLU 332.A O no hydrogen 3.108 N/A ARG 336.A NH2 GLU 332.A OE1 no hydrogen 3.119 N/A HIS 337.A N ALA 334.A O no hydrogen 2.851 N/A HIS 337.A ND1 ASP 339.A OD2 no hydrogen 3.149 N/A TYR 340.A N HIS 337.A O no hydrogen 3.118 N/A VAL 342.A N GLU 449.A OE1 no hydrogen 2.661 N/A VAL 343.A N GLU 449.A OE2 no hydrogen 3.123 N/A LEU 344.A N SER 341.A OG no hydrogen 3.130 N/A LEU 345.A N SER 341.A O no hydrogen 3.285 N/A LEU 346.A N VAL 342.A O no hydrogen 2.908 N/A ARG 347.A N VAL 343.A O no hydrogen 2.899 N/A ARG 347.A NH2 VAL 481.A O no hydrogen 2.728 N/A LEU 348.A N LEU 344.A O no hydrogen 2.931 N/A ALA 349.A N LEU 345.A O no hydrogen 2.952 N/A LYS 350.A N LEU 346.A O no hydrogen 2.898 N/A LYS 350.A NZ LYS 350.A O no hydrogen 3.121 N/A LYS 350.A NZ GLU 353.A OE2 no hydrogen 2.581 N/A LYS 350.A NZ THR 354.A OG1 no hydrogen 3.140 N/A THR 351.A N ARG 347.A O no hydrogen 2.954 N/A THR 351.A OG1 ARG 347.A O no hydrogen 2.797 N/A TYR 352.A N LEU 348.A O no hydrogen 2.894 N/A TYR 352.A OH PHE 308.A O no hydrogen 2.739 N/A GLU 353.A N ALA 349.A O no hydrogen 2.781 N/A THR 354.A N LYS 350.A O no hydrogen 2.857 N/A THR 354.A OG1 LYS 350.A O no hydrogen 3.162 N/A THR 355.A N THR 351.A O no hydrogen 3.032 N/A THR 355.A OG1 THR 351.A O no hydrogen 3.487 N/A THR 355.A OG1 TYR 352.A O no hydrogen 2.533 N/A LEU 356.A N TYR 352.A O no hydrogen 2.919 N/A GLU 357.A N GLU 353.A O no hydrogen 2.787 N/A LYS 358.A N THR 354.A O no hydrogen 2.996 N/A CYS 359.A N THR 355.A O no hydrogen 2.663 N/A CYS 360.A N LEU 356.A O no hydrogen 2.849 N/A ALA 361.A N LYS 358.A O no hydrogen 3.349 N/A ALA 362.A N CYS 359.A O no hydrogen 2.744 N/A GLU 367.A N ASP 364.A O no hydrogen 3.248 N/A TYR 369.A N PRO 365.A O no hydrogen 2.978 N/A LYS 371.A NZ ASP 374.A OD2 no hydrogen 2.682 N/A VAL 372.A N TYR 369.A O no hydrogen 2.975 N/A ASP 374.A N LYS 371.A O no hydrogen 2.866 N/A GLU 375.A N VAL 372.A O no hydrogen 2.844 N/A PHE 376.A N PHE 373.A O no hydrogen 3.305 N/A VAL 380.A N PHE 376.A O no hydrogen 2.986 N/A GLU 381.A N LYS 377.A O no hydrogen 2.882 N/A GLU 382.A N PRO 378.A O no hydrogen 3.178 N/A GLN 384.A N VAL 380.A O no hydrogen 3.424 N/A ASN 385.A N GLU 381.A O no hydrogen 2.714 N/A ASN 385.A ND2 GLU 381.A OE2 no hydrogen 3.491 N/A LEU 386.A N GLU 382.A O no hydrogen 2.985 N/A ILE 387.A N PRO 383.A O no hydrogen 2.841 N/A LYS 388.A N GLN 384.A O no hydrogen 3.057 N/A LYS 388.A NZ GLU 441.A OE1 no hydrogen 2.641 N/A GLN 389.A N ASN 385.A O no hydrogen 2.871 N/A GLN 389.A NE2 ASN 385.A O no hydrogen 3.357 N/A ASN 390.A N LEU 386.A O no hydrogen 3.102 N/A CYS 391.A N ILE 387.A O no hydrogen 2.805 N/A GLU 392.A N LYS 388.A O no hydrogen 2.869 N/A LEU 393.A N GLN 389.A O no hydrogen 2.916 N/A PHE 394.A N ASN 390.A O no hydrogen 2.836 N/A GLU 395.A N CYS 391.A O no hydrogen 2.938 N/A GLN 396.A N GLU 392.A O no hydrogen 3.271 N/A GLN 396.A N LEU 393.A O no hydrogen 3.209 N/A LEU 397.A N PHE 394.A O no hydrogen 3.168 N/A GLY 398.A N PHE 394.A O no hydrogen 2.799 N/A PHE 402.A N GLY 398.A O no hydrogen 2.815 N/A GLN 403.A N GLU 399.A O no hydrogen 2.880 N/A GLN 403.A NE2 ARG 427.A O no hydrogen 3.021 N/A ASN 404.A N TYR 400.A O no hydrogen 3.068 N/A ASN 404.A ND2 GLN 525.A OE1 no hydrogen 3.009 N/A ALA 405.A N LYS 401.A O no hydrogen 2.989 N/A LEU 406.A N PHE 402.A O no hydrogen 3.076 N/A LEU 407.A N GLN 403.A O no hydrogen 2.729 N/A VAL 408.A N ASN 404.A O no hydrogen 3.077 N/A ARG 409.A N ALA 405.A O no hydrogen 3.104 N/A TYR 410.A N LEU 406.A O no hydrogen 2.804 N/A THR 411.A N LEU 407.A O no hydrogen 2.999 N/A THR 411.A OG1 LEU 407.A O no hydrogen 2.626 N/A LYS 412.A N VAL 408.A O no hydrogen 3.095 N/A LYS 412.A NZ PRO 536.A O no hydrogen 2.718 N/A LYS 412.A NZ ALA 538.A O no hydrogen 2.940 N/A LYS 413.A N ARG 409.A O no hydrogen 3.250 N/A LYS 413.A NZ LEU 490.A O no hydrogen 3.041 N/A VAL 414.A N TYR 410.A O no hydrogen 2.801 N/A GLN 416.A NE2 ASP 493.A OD2 no hydrogen 3.362 N/A VAL 417.A N VAL 414.A O no hydrogen 3.050 N/A SER 418.A OG THR 421.A OG1 no hydrogen 2.769 N/A THR 419.A OG1 GLU 530.A OE1 no hydrogen 2.555 N/A THR 421.A N SER 418.A OG no hydrogen 3.207 N/A THR 421.A OG1 SER 418.A OG no hydrogen 2.769 N/A LEU 422.A N SER 418.A O no hydrogen 2.960 N/A VAL 423.A N THR 419.A O no hydrogen 2.889 N/A GLU 424.A N PRO 420.A O no hydrogen 2.963 N/A VAL 425.A N THR 421.A O no hydrogen 2.883 N/A SER 426.A N LEU 422.A O no hydrogen 3.044 N/A SER 426.A OG LEU 422.A O no hydrogen 2.618 N/A ARG 427.A N VAL 423.A O no hydrogen 2.845 N/A ASN 428.A N GLU 424.A O no hydrogen 2.856 N/A LEU 429.A N VAL 425.A O no hydrogen 2.745 N/A GLY 430.A N SER 426.A O no hydrogen 2.855 N/A LYS 431.A N ARG 427.A O no hydrogen 2.993 N/A VAL 432.A N ASN 428.A O no hydrogen 3.003 N/A GLY 433.A N LEU 429.A O no hydrogen 3.195 N/A SER 434.A N GLY 430.A O no hydrogen 3.103 N/A SER 434.A OG GLU 399.A OE2 no hydrogen 3.046 N/A LYS 435.A N LYS 431.A O no hydrogen 2.726 N/A CYS 436.A N VAL 432.A O no hydrogen 2.791 N/A CYS 437.A N GLY 433.A O no hydrogen 2.867 N/A CYS 437.A SG GLY 433.A O no hydrogen 3.075 N/A LYS 438.A N LYS 435.A O no hydrogen 3.455 N/A LYS 438.A NZ SER 434.A O no hydrogen 2.658 N/A HIS 439.A N CYS 436.A O no hydrogen 2.975 N/A LYS 443.A N PRO 440.A O no hydrogen 2.934 N/A ARG 444.A N GLU 441.A O no hydrogen 3.244 N/A ARG 444.A NE HIS 439.A O no hydrogen 2.800 N/A ARG 444.A NH2 CYS 437.A O no hydrogen 2.853 N/A CYS 447.A N LYS 443.A O no hydrogen 3.425 N/A ALA 448.A N ARG 444.A O no hydrogen 2.917 N/A GLU 449.A N MET 445.A O no hydrogen 2.881 N/A ASP 450.A N PRO 446.A O no hydrogen 2.942 N/A TYR 451.A N CYS 447.A O no hydrogen 2.974 N/A LEU 452.A N ALA 448.A O no hydrogen 2.668 N/A SER 453.A N GLU 449.A O no hydrogen 3.003 N/A SER 453.A OG GLU 449.A O no hydrogen 3.127 N/A SER 453.A OG ASP 450.A O no hydrogen 2.386 N/A VAL 454.A N TYR 451.A O no hydrogen 2.981 N/A VAL 455.A N TYR 451.A O no hydrogen 3.059 N/A LEU 456.A N LEU 452.A O no hydrogen 2.737 N/A ASN 457.A N SER 453.A O no hydrogen 3.133 N/A GLN 458.A N VAL 454.A O no hydrogen 2.949 N/A LEU 459.A N VAL 455.A O no hydrogen 3.045 N/A CYS 460.A N LEU 456.A O no hydrogen 2.929 N/A CYS 460.A SG LEU 456.A O no hydrogen 3.331 N/A VAL 461.A N ASN 457.A O no hydrogen 2.841 N/A LEU 462.A N GLN 458.A O no hydrogen 3.007 N/A HIS 463.A N LEU 459.A O no hydrogen 2.899 N/A GLU 464.A N CYS 460.A O no hydrogen 2.843 N/A THR 466.A OG1 LEU 462.A O no hydrogen 2.620 N/A THR 466.A OG1 GLU 464.A O no hydrogen 2.754 N/A VAL 468.A N HIS 463.A NE2 no hydrogen 3.056 N/A SER 469.A N HIS 463.A NE2 no hydrogen 3.049 N/A ARG 471.A N SER 469.A OG no hydrogen 3.165 N/A ARG 471.A NH1 LYS 413.A O no hydrogen 2.970 N/A ARG 471.A NH1 GLU 491.A O no hydrogen 3.468 N/A VAL 472.A N SER 469.A O no hydrogen 3.075 N/A VAL 472.A N SER 469.A OG no hydrogen 3.383 N/A THR 473.A N SER 469.A O no hydrogen 3.062 N/A THR 473.A OG1 SER 469.A O no hydrogen 3.196 N/A LYS 474.A N ASP 470.A O no hydrogen 2.903 N/A CYS 475.A N ARG 471.A O no hydrogen 3.207 N/A CYS 475.A SG ARG 471.A O no hydrogen 3.443 N/A CYS 476.A N VAL 472.A O no hydrogen 2.854 N/A CYS 476.A SG VAL 472.A O no hydrogen 3.152 N/A THR 477.A N THR 473.A O no hydrogen 2.766 N/A THR 477.A N LYS 474.A O no hydrogen 3.243 N/A THR 477.A OG1 THR 473.A O no hydrogen 2.765 N/A THR 477.A OG1 LYS 474.A O no hydrogen 3.329 N/A GLU 478.A N LYS 474.A O no hydrogen 2.820 N/A VAL 481.A N SER 479.A OG no hydrogen 3.317 N/A ASN 482.A N SER 479.A O no hydrogen 2.906 N/A ARG 484.A NE SER 488.A OG no hydrogen 3.065 N/A ARG 484.A NH1 GLU 382.A OE1 no hydrogen 2.357 N/A ARG 484.A NH1 GLU 382.A OE2 no hydrogen 3.309 N/A ARG 484.A NH1 SER 488.A OG no hydrogen 2.791 N/A ARG 484.A NH2 GLU 382.A OE2 no hydrogen 2.976 N/A CYS 486.A N ASN 482.A O no hydrogen 2.954 N/A PHE 487.A N ARG 483.A O no hydrogen 3.109 N/A SER 488.A N ARG 484.A O no hydrogen 2.858 N/A SER 488.A OG ARG 484.A O no hydrogen 3.223 N/A ALA 489.A N PRO 485.A O no hydrogen 2.890 N/A ALA 489.A N CYS 486.A O no hydrogen 3.103 N/A LEU 490.A N PHE 487.A O no hydrogen 3.167 N/A ASP 493.A N LYS 412.A O no hydrogen 2.966 N/A THR 495.A N ASP 493.A OD1 no hydrogen 2.864 N/A THR 495.A OG1 ASP 493.A OD1 no hydrogen 2.787 N/A LYS 499.A N LYS 533.A O no hydrogen 2.955 N/A LYS 499.A NZ GLU 530.A OE1 no hydrogen 3.550 N/A LYS 499.A NZ GLU 530.A OE2 no hydrogen 2.886 N/A THR 505.A N ASN 502.A OD1 no hydrogen 2.952 N/A PHE 506.A N ALA 503.A O no hydrogen 3.013 N/A THR 507.A N GLU 504.A O no hydrogen 3.088 N/A THR 507.A OG1 ALA 503.A O no hydrogen 2.629 N/A ILE 512.A N HIS 509.A O no hydrogen 2.908 N/A CYS 513.A N ALA 510.A O no hydrogen 2.824 N/A CYS 513.A SG ALA 510.A O no hydrogen 3.054 N/A THR 514.A N ASP 511.A O no hydrogen 2.738 N/A THR 514.A OG1 ASP 511.A O no hydrogen 2.870 N/A SER 516.A N GLU 519.A OE2 no hydrogen 3.417 N/A SER 516.A OG GLU 519.A OE2 no hydrogen 3.389 N/A GLU 519.A N SER 516.A OG no hydrogen 3.169 N/A ARG 520.A N SER 516.A O no hydrogen 2.913 N/A ARG 520.A NE ILE 512.A O no hydrogen 3.004 N/A ARG 520.A NH1 ILE 512.A O no hydrogen 3.502 N/A ARG 520.A NH1 CYS 513.A O no hydrogen 3.015 N/A GLN 521.A N GLU 517.A O no hydrogen 3.046 N/A ILE 522.A N LYS 518.A O no hydrogen 2.922 N/A LYS 523.A N GLU 519.A O no hydrogen 3.045 N/A LYS 524.A N ARG 520.A O no hydrogen 3.012 N/A GLN 525.A N GLN 521.A O no hydrogen 2.762 N/A THR 526.A N ILE 522.A O no hydrogen 2.868 N/A THR 526.A OG1 ILE 522.A O no hydrogen 2.531 N/A ALA 527.A N LYS 523.A O no hydrogen 2.999 N/A LEU 528.A N LYS 524.A O no hydrogen 2.782 N/A VAL 529.A N GLN 525.A O no hydrogen 2.955 N/A GLU 530.A N THR 526.A O no hydrogen 3.127 N/A LEU 531.A N ALA 527.A O no hydrogen 2.868 N/A VAL 532.A N LEU 528.A O no hydrogen 3.012 N/A LYS 533.A N VAL 529.A O no hydrogen 2.845 N/A LYS 533.A NZ VAL 417.A O no hydrogen 2.808 N/A LYS 533.A NZ THR 419.A OG1 no hydrogen 2.930 N/A HIS 534.A N GLU 530.A O no hydrogen 2.930 N/A HIS 534.A ND1 LYS 499.A O no hydrogen 2.634 N/A LYS 535.A N LEU 531.A O no hydrogen 2.806 N/A LYS 535.A NZ LEU 582.A O no hydrogen 3.330 N/A ALA 538.A N LYS 535.A O no hydrogen 3.071 N/A THR 539.A N GLN 542.A OE1 no hydrogen 2.838 N/A LYS 540.A NZ GLU 541.A OE2 no hydrogen 2.517 N/A GLN 542.A N THR 539.A OG1 no hydrogen 2.817 N/A LEU 543.A N THR 539.A O no hydrogen 2.748 N/A LYS 544.A N LYS 540.A O no hydrogen 2.988 N/A ALA 545.A N GLU 541.A O no hydrogen 3.260 N/A VAL 546.A N GLN 542.A O no hydrogen 3.256 N/A MET 547.A N LEU 543.A O no hydrogen 2.783 N/A ASP 548.A N LYS 544.A O no hydrogen 2.738 N/A ASP 549.A N ALA 545.A O no hydrogen 2.969 N/A PHE 550.A N VAL 546.A O no hydrogen 2.856 N/A ALA 551.A N MET 547.A O no hydrogen 2.768 N/A ALA 552.A N ASP 548.A O no hydrogen 2.904 N/A PHE 553.A N ASP 549.A O no hydrogen 2.738 N/A VAL 554.A N PHE 550.A O no hydrogen 2.862 N/A GLU 555.A N ALA 551.A O no hydrogen 3.103 N/A LYS 556.A N ALA 552.A O no hydrogen 2.691 N/A CYS 558.A N VAL 554.A O no hydrogen 2.706 N/A CYS 558.A SG VAL 554.A O no hydrogen 3.211 N/A LYS 563.A NZ ALA 560.A O no hydrogen 2.910 N/A CYS 566.A SG CYS 557.A O no hydrogen 2.911 N/A CYS 566.A SG LYS 563.A O no hydrogen 3.839 N/A GLU 569.A N THR 565.A O no hydrogen 2.882 N/A LYS 572.A N ALA 568.A O no hydrogen 3.148 N/A LYS 572.A N GLU 569.A O no hydrogen 3.227 N/A LYS 573.A N GLU 569.A O no hydrogen 3.395 N/A LEU 574.A N GLU 570.A O no hydrogen 3.164 N/A VAL 575.A N GLY 571.A O no hydrogen 2.952 N/A ALA 576.A N LYS 572.A O no hydrogen 2.967 N/A ALA 577.A N LYS 573.A O no hydrogen 2.842 N/A SER 578.A N LEU 574.A O no hydrogen 2.828 N/A SER 578.A OG LEU 574.A O no hydrogen 2.734 N/A GLN 579.A N VAL 575.A O no hydrogen 2.963 N/A GLN 579.A NE2 VAL 575.A O no hydrogen 3.092 N/A ALA 580.A N ALA 576.A O no hydrogen 3.233 N/A ALA 581.A N ALA 577.A O no hydrogen 2.841 N/A LEU 582.A N SER 578.A O no hydrogen 2.808 N/A GLY 583.A N ALA 580.A O no hydrogen 2.907 N/A