Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3upt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N SER 4.A OG no hydrogen 3.061 N/A MET 8.A N SER 4.A O no hydrogen 2.992 N/A ALA 9.A N THR 5.A O no hydrogen 2.848 N/A ASN 10.A N THR 6.A O no hydrogen 2.852 N/A ALA 11.A N LEU 7.A O no hydrogen 3.083 N/A ARG 13.A N ALA 9.A O no hydrogen 3.160 N/A ARG 13.A NE ASN 249.A O no hydrogen 2.776 N/A ARG 13.A NH1 ASN 10.A OD1 no hydrogen 3.079 N/A ARG 13.A NH1 GLU 36.A OE2 no hydrogen 2.787 N/A ARG 13.A NH2 GLU 36.A OE1 no hydrogen 2.914 N/A ARG 13.A NH2 GLU 36.A OE2 no hydrogen 3.236 N/A ALA 14.A N ASN 10.A O no hydrogen 2.824 N/A LEU 15.A N ALA 11.A O no hydrogen 2.973 N/A ALA 16.A N ILE 12.A O no hydrogen 2.914 N/A MET 17.A N ARG 13.A O no hydrogen 2.898 N/A ASP 18.A N ALA 14.A O no hydrogen 2.996 N/A ALA 19.A N LEU 15.A O no hydrogen 2.907 N/A VAL 20.A N ALA 16.A O no hydrogen 3.091 N/A GLN 21.A N MET 17.A O no hydrogen 3.040 N/A GLN 22.A N ASP 18.A O no hydrogen 2.866 N/A ALA 23.A N ALA 19.A O no hydrogen 3.142 N/A ASN 24.A N GLN 21.A O no hydrogen 3.067 N/A SER 25.A N VAL 20.A O no hydrogen 3.218 N/A GLY 29.A N VAL 260.A O no hydrogen 2.936 N/A MET 32.A N PRO 28.A O no hydrogen 3.148 N/A GLY 33.A N GLY 29.A O no hydrogen 2.881 N/A MET 34.A N MET 30.A O no hydrogen 2.716 N/A GLY 38.A N MET 34.A O no hydrogen 2.924 N/A VAL 39.A N ALA 35.A O no hydrogen 3.121 N/A ALA 40.A N GLU 36.A O no hydrogen 3.024 N/A LEU 41.A N ILE 37.A O no hydrogen 3.019 N/A TRP 42.A N GLY 38.A O no hydrogen 2.776 N/A SER 43.A N VAL 39.A O no hydrogen 2.837 N/A SER 43.A OG VAL 39.A O no hydrogen 2.617 N/A ARG 44.A NH1 ASP 223.A OD1 no hydrogen 2.815 N/A ARG 44.A NH1 ASP 226.A OD2 no hydrogen 2.909 N/A HIS 45.A N LEU 41.A O no hydrogen 3.029 N/A HIS 45.A NE2 ASP 226.A OD1 no hydrogen 2.683 N/A LEU 46.A N LEU 41.A O no hydrogen 2.944 N/A LYS 47.A N ASP 59.A OD2 no hydrogen 2.794 N/A LYS 47.A NZ ASP 57.A O no hydrogen 3.188 N/A LYS 47.A NZ ASP 57.A OD2 no hydrogen 3.332 N/A LYS 47.A NZ ASP 147.A O no hydrogen 2.760 N/A HIS 48.A ND1 TYR 81.A OH no hydrogen 2.721 N/A ASN 49.A ND2 GLU 304.A OE1 no hydrogen 2.784 N/A THR 51.A N ASN 49.A OD1 no hydrogen 3.174 N/A ASN 52.A N ASN 49.A O no hydrogen 2.727 N/A ASN 52.A ND2 GLU 304.A OE1 no hydrogen 3.272 N/A ASN 52.A ND2 GLU 304.A OE2 no hydrogen 2.760 N/A HIS 54.A N ASN 52.A OD1 no hydrogen 3.046 N/A TRP 55.A N ASN 52.A O no hydrogen 3.154 N/A ARG 58.A N TRP 55.A O no hydrogen 3.228 N/A ARG 58.A NE GLU 111.A OE2 no hydrogen 2.897 N/A ARG 58.A NH1 TRP 55.A O no hydrogen 2.890 N/A ARG 58.A NH2 GLU 111.A OE1 no hydrogen 2.874 N/A ASP 59.A N LYS 47.A O no hydrogen 2.944 N/A ARG 60.A N HIS 149.A O no hydrogen 3.109 N/A ARG 60.A NH1 ALA 56.A O no hydrogen 2.772 N/A ARG 60.A NH1 ARG 58.A O no hydrogen 2.676 N/A ARG 60.A NH2 ALA 56.A O no hydrogen 3.302 N/A ARG 60.A NH2 HIS 430.A O no hydrogen 3.001 N/A VAL 62.A N TYR 151.A O no hydrogen 2.770 N/A SER 64.A N PHE 153.A O no hydrogen 2.786 N/A ASN 65.A N ASN 65.A OD1 no hydrogen 2.629 N/A GLY 68.A N ASN 65.A O no hydrogen 3.120 N/A SER 69.A OG GLY 100.A O no hydrogen 2.655 N/A LEU 71.A N GLY 68.A O no hydrogen 3.067 N/A LEU 72.A N SER 69.A O no hydrogen 2.918 N/A TYR 73.A N SER 69.A O no hydrogen 2.946 N/A TYR 73.A OH PRO 99.A O no hydrogen 2.649 N/A SER 74.A N MET 70.A O no hydrogen 2.790 N/A SER 74.A OG MET 70.A O no hydrogen 2.689 N/A LEU 75.A N LEU 71.A O no hydrogen 3.121 N/A LEU 76.A N LEU 72.A O no hydrogen 2.907 N/A HIS 77.A N TYR 73.A O no hydrogen 3.017 N/A HIS 77.A ND1 LEU 83.A O no hydrogen 2.818 N/A HIS 77.A NE2 TYR 291.A OH no hydrogen 2.626 N/A LEU 78.A N SER 74.A O no hydrogen 2.785 N/A THR 79.A N LEU 75.A O no hydrogen 2.924 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.837 N/A GLY 80.A N HIS 77.A O no hydrogen 3.272 N/A TYR 81.A N LEU 76.A O no hydrogen 2.941 N/A TYR 81.A OH HIS 48.A ND1 no hydrogen 2.721 N/A LEU 83.A N TYR 81.A O no hydrogen 2.844 N/A LYS 89.A N ILE 85.A O no hydrogen 2.947 N/A ASN 90.A N GLU 87.A O no hydrogen 3.032 N/A PHE 91.A N LEU 88.A O no hydrogen 3.238 N/A ARG 92.A N THR 98.A O no hydrogen 3.022 N/A ARG 92.A NH1 SER 25.A OG no hydrogen 2.922 N/A ARG 92.A NH2 GLY 100.A O no hydrogen 3.345 N/A GLN 93.A N ASN 90.A O no hydrogen 3.107 N/A GLN 93.A NE2 PHE 91.A O no hydrogen 3.048 N/A SER 96.A N GLN 93.A O no hydrogen 3.009 N/A SER 96.A OG ASN 90.A O no hydrogen 3.046 N/A SER 96.A OG GLN 93.A O no hydrogen 3.355 N/A SER 96.A OG THR 98.A OG1 no hydrogen 2.867 N/A LYS 97.A N GLU 87.A OE1 no hydrogen 2.670 N/A THR 98.A N SER 96.A OG no hydrogen 2.911 N/A THR 98.A OG1 GLU 87.A O no hydrogen 2.665 N/A THR 98.A OG1 SER 96.A OG no hydrogen 2.867 N/A TYR 104.A N THR 113.A OG1 no hydrogen 2.737 N/A ILE 106.A N GLU 103.A O no hydrogen 3.193 N/A THR 107.A OG1 LYS 97.A O no hydrogen 2.667 N/A VAL 110.A N THR 107.A O no hydrogen 3.119 N/A THR 112.A OG1 ASN 123.A OD1 no hydrogen 2.821 N/A THR 114.A N PRO 102.A O no hydrogen 3.297 N/A THR 114.A OG1 LEU 63.A O no hydrogen 2.713 N/A GLN 119.A N PRO 116.A O no hydrogen 3.469 N/A GLN 119.A NE2 ASN 449.A OD1 no hydrogen 2.781 N/A LEU 121.A N SER 64.A OG no hydrogen 3.061 N/A ALA 122.A N GLY 118.A O no hydrogen 3.473 N/A ASN 123.A N GLN 119.A O no hydrogen 2.751 N/A ASN 123.A ND2 ALA 422.A O no hydrogen 2.978 N/A ALA 124.A N GLY 120.A O no hydrogen 2.822 N/A VAL 125.A N LEU 121.A O no hydrogen 2.936 N/A GLY 126.A N ALA 122.A O no hydrogen 3.021 N/A MET 127.A N ASN 123.A O no hydrogen 2.859 N/A ALA 128.A N ALA 124.A O no hydrogen 2.977 N/A LEU 129.A N VAL 125.A O no hydrogen 3.004 N/A GLY 130.A N GLY 126.A O no hydrogen 2.881 N/A GLU 131.A N MET 127.A O no hydrogen 2.990 N/A ALA 132.A N ALA 128.A O no hydrogen 2.991 N/A LEU 133.A N LEU 129.A O no hydrogen 2.793 N/A LEU 134.A N GLY 130.A O no hydrogen 2.766 N/A ALA 135.A N GLU 131.A O no hydrogen 2.870 N/A ALA 136.A N ALA 132.A O no hydrogen 3.029 N/A GLU 137.A N LEU 133.A O no hydrogen 2.877 N/A PHE 138.A N LEU 134.A O no hydrogen 2.861 N/A ASN 139.A N ALA 135.A O no hydrogen 3.102 N/A ASN 139.A ND2 VAL 146.A O no hydrogen 3.063 N/A ARG 140.A N ALA 143.A O no hydrogen 3.020 N/A ARG 140.A NH1 GLU 137.A O no hydrogen 2.997 N/A ARG 140.A NH1 ASN 139.A O no hydrogen 3.036 N/A ALA 143.A N ARG 140.A O no hydrogen 2.807 N/A LYS 144.A NZ ASP 147.A OD2 no hydrogen 3.009 N/A ILE 145.A N ASN 139.A OD1 no hydrogen 2.944 N/A VAL 146.A N ASN 139.A OD1 no hydrogen 3.028 N/A ASP 147.A N ASP 57.A OD1 no hydrogen 2.850 N/A HIS 148.A N GLU 131.A OE2 no hydrogen 3.044 N/A HIS 148.A ND1 ASP 57.A OD1 no hydrogen 2.719 N/A HIS 148.A NE2 HIS 430.A NE2 no hydrogen 2.783 N/A HIS 149.A N ASP 59.A OD1 no hydrogen 2.863 N/A THR 150.A N LYS 178.A O no hydrogen 2.942 N/A TYR 151.A N ARG 60.A O no hydrogen 2.873 N/A VAL 152.A N ILE 180.A O no hydrogen 3.195 N/A PHE 153.A N VAL 62.A O no hydrogen 2.986 N/A LEU 154.A N LEU 182.A O no hydrogen 3.182 N/A CYS 158.A SG SER 64.A OG no hydrogen 3.001 N/A LEU 159.A N GLY 155.A O no hydrogen 3.276 N/A MET 160.A N ASP 156.A O no hydrogen 2.954 N/A GLU 161.A N GLY 157.A O no hydrogen 3.103 N/A SER 164.A N GLU 161.A O no hydrogen 3.111 N/A SER 164.A OG CYS 158.A O no hydrogen 3.256 N/A SER 164.A OG LEU 159.A O no hydrogen 3.147 N/A SER 164.A OG GLU 161.A O no hydrogen 2.754 N/A HIS 165.A N GLY 162.A O no hydrogen 2.868 N/A HIS 165.A ND1 TYR 209.A OH no hydrogen 2.611 N/A GLU 166.A N GLY 162.A O no hydrogen 3.220 N/A ALA 167.A N ILE 163.A O no hydrogen 2.898 N/A CYS 168.A N SER 164.A O no hydrogen 2.981 N/A CYS 168.A SG SER 164.A O no hydrogen 3.267 N/A SER 169.A N HIS 165.A O no hydrogen 3.045 N/A LEU 170.A N GLU 166.A O no hydrogen 3.234 N/A ALA 171.A N ALA 167.A O no hydrogen 2.853 N/A GLY 172.A N CYS 168.A O no hydrogen 2.845 N/A THR 173.A N SER 169.A O no hydrogen 3.012 N/A THR 173.A OG1 SER 169.A O no hydrogen 3.154 N/A LEU 174.A N LEU 170.A O no hydrogen 2.957 N/A LYS 175.A N GLY 172.A O no hydrogen 3.194 N/A LYS 175.A NZ ASN 399.A O no hydrogen 2.783 N/A LYS 175.A NZ ALA 400.A O no hydrogen 3.459 N/A LYS 175.A NZ GLY 402.A O no hydrogen 3.350 N/A LEU 176.A N ALA 171.A O no hydrogen 3.202 N/A ASN 177.A N LYS 175.A O no hydrogen 2.878 N/A ASN 177.A ND2 SER 235.A O no hydrogen 3.064 N/A LYS 178.A NZ GLU 131.A OE2 no hydrogen 2.826 N/A LYS 178.A NZ ASP 147.A OD1 no hydrogen 2.753 N/A LEU 179.A N LEU 176.A O no hydrogen 3.203 N/A ILE 180.A N THR 150.A O no hydrogen 2.815 N/A ALA 181.A N SER 239.A O no hydrogen 2.671 N/A LEU 182.A N VAL 152.A O no hydrogen 2.749 N/A TYR 183.A N ILE 241.A O no hydrogen 2.807 N/A TYR 183.A OH ASP 156.A OD1 no hydrogen 2.599 N/A ASP 184.A N LEU 154.A O no hydrogen 2.866 N/A ASP 185.A N CYS 243.A O no hydrogen 2.841 N/A ILE 188.A N ASN 186.A OD1 no hydrogen 3.214 N/A SER 189.A N GLY 192.A O no hydrogen 2.935 N/A GLY 192.A N SER 189.A O no hydrogen 3.110 N/A VAL 194.A N GLY 187.A O no hydrogen 2.958 N/A ASN 196.A N ASP 193.A O no hydrogen 3.184 N/A TRP 197.A N VAL 194.A O no hydrogen 2.969 N/A TRP 197.A NE1 SER 189.A OG no hydrogen 3.024 N/A PHE 198.A N VAL 194.A O no hydrogen 2.732 N/A LYS 204.A N ASP 201.A OD1 no hydrogen 3.039 N/A ARG 205.A N ASP 201.A O no hydrogen 2.988 N/A ARG 205.A NE TYR 209.A OH no hydrogen 2.916 N/A ARG 205.A NH1 LEU 159.A O no hydrogen 2.855 N/A ARG 205.A NH2 SER 164.A OG no hydrogen 2.889 N/A ARG 205.A NH2 TYR 209.A OH no hydrogen 3.172 N/A PHE 206.A N THR 202.A O no hydrogen 3.025 N/A GLU 207.A N PRO 203.A O no hydrogen 2.940 N/A ALA 208.A N LYS 204.A O no hydrogen 3.101 N/A TYR 209.A N ARG 205.A O no hydrogen 3.284 N/A TYR 209.A OH HIS 165.A ND1 no hydrogen 2.611 N/A GLY 210.A N GLU 207.A O no hydrogen 2.884 N/A TRP 211.A N PHE 206.A O no hydrogen 2.905 N/A TRP 211.A NE1 CYS 168.A O no hydrogen 2.851 N/A ASN 212.A N PRO 238.A O no hydrogen 2.769 N/A ASN 212.A ND2 SER 239.A OG no hydrogen 3.037 N/A ILE 214.A N LEU 240.A O no hydrogen 2.896 N/A VAL 217.A N CYS 242.A O no hydrogen 2.878 N/A GLY 219.A N LYS 244.A O no hydrogen 2.853 N/A HIS 220.A N ASN 218.A OD1 no hydrogen 3.063 N/A HIS 220.A ND1 GLU 36.A OE1 no hydrogen 2.728 N/A ASP 221.A N ASN 218.A O no hydrogen 3.059 N/A ALA 224.A N ASP 221.A OD2 no hydrogen 3.058 N/A ILE 225.A N ASP 221.A O no hydrogen 3.129 N/A ASP 226.A N VAL 222.A O no hydrogen 2.815 N/A ALA 227.A N ASP 223.A O no hydrogen 2.860 N/A ALA 228.A N ALA 224.A O no hydrogen 2.921 N/A ILE 229.A N ILE 225.A O no hydrogen 2.838 N/A ALA 230.A N ASP 226.A O no hydrogen 2.933 N/A LYS 231.A N ALA 227.A O no hydrogen 2.903 N/A ALA 232.A N ALA 228.A O no hydrogen 2.921 N/A LYS 233.A N ILE 229.A O no hydrogen 2.886 N/A ARG 234.A N LYS 231.A O no hydrogen 2.818 N/A SER 235.A N ALA 232.A O no hydrogen 3.163 N/A SER 235.A OG LYS 237.A O no hydrogen 2.688 N/A LYS 237.A N SER 235.A OG no hydrogen 2.916 N/A SER 239.A N LEU 179.A O no hydrogen 3.054 N/A SER 239.A OG LYS 237.A O no hydrogen 3.415 N/A LEU 240.A N ASN 212.A O no hydrogen 2.808 N/A ILE 241.A N ALA 181.A O no hydrogen 2.792 N/A CYS 242.A N ILE 214.A O no hydrogen 3.002 N/A CYS 243.A N TYR 183.A O no hydrogen 2.867 N/A CYS 243.A SG ILE 241.A O no hydrogen 3.713 N/A LYS 244.A N VAL 217.A O no hydrogen 2.821 N/A LYS 244.A NZ ASP 185.A OD2 no hydrogen 2.817 N/A THR 245.A N ASP 185.A O no hydrogen 2.972 N/A THR 245.A OG1 ASP 184.A OD1 no hydrogen 2.469 N/A ARG 246.A N HIS 220.A NE2 no hydrogen 3.049 N/A GLY 248.A N GLY 29.A O no hydrogen 2.932 N/A ASN 249.A N ARG 246.A O no hydrogen 2.937 N/A ALA 251.A N GLY 248.A O no hydrogen 2.991 N/A ALA 252.A N THR 273.A OG1 no hydrogen 3.156 N/A THR 253.A N GLU 269.A OE2 no hydrogen 2.846 N/A LYS 254.A N GLU 269.A OE2 no hydrogen 2.874 N/A LYS 254.A NZ LEU 265.A O no hydrogen 2.987 N/A GLY 256.A N ILE 247.A O no hydrogen 2.716 N/A GLY 257.A N LYS 254.A O no hydrogen 3.119 N/A HIS 258.A NE2 ASP 193.A OD1 no hydrogen 2.864 N/A GLY 266.A N GLN 21.A OE1 no hydrogen 2.998 N/A ILE 270.A N GLY 266.A O no hydrogen 3.018 N/A ALA 271.A N ALA 267.A O no hydrogen 3.002 N/A LYS 272.A N ASP 268.A O no hydrogen 2.885 N/A THR 273.A N GLU 269.A O no hydrogen 2.791 N/A THR 273.A OG1 GLU 269.A O no hydrogen 2.724 N/A ARG 274.A N ILE 270.A O no hydrogen 2.836 N/A ARG 274.A NE TRP 281.A O no hydrogen 2.888 N/A ARG 274.A NH1 ASP 18.A OD1 no hydrogen 2.880 N/A ARG 274.A NH2 ASP 18.A OD2 no hydrogen 2.756 N/A ARG 274.A NH2 TRP 281.A O no hydrogen 3.013 N/A GLU 275.A N ALA 271.A O no hydrogen 3.262 N/A ALA 276.A N LYS 272.A O no hydrogen 2.871 N/A LEU 277.A N THR 273.A O no hydrogen 2.785 N/A GLY 278.A N GLU 275.A O no hydrogen 3.067 N/A TRP 279.A N ARG 274.A O no hydrogen 2.841 N/A VAL 285.A N ALA 282.A O no hydrogen 2.933 N/A GLU 289.A N GLU 289.A OE1 no hydrogen 2.814 N/A VAL 290.A N PRO 287.A O no hydrogen 2.946 N/A TYR 291.A N PRO 287.A O no hydrogen 3.298 N/A TYR 291.A OH HIS 77.A NE2 no hydrogen 2.626 N/A ALA 292.A N GLN 288.A O no hydrogen 2.830 N/A ALA 293.A N GLU 289.A O no hydrogen 3.064 N/A TRP 294.A N VAL 290.A O no hydrogen 3.159 N/A TRP 294.A NE1 MET 8.A O no hydrogen 3.124 N/A ASP 295.A N TYR 291.A O no hydrogen 2.847 N/A ALA 296.A N THR 79.A O no hydrogen 2.888 N/A LYS 297.A N ASP 295.A OD2 no hydrogen 3.031 N/A LYS 297.A NZ ASP 295.A OD1 no hydrogen 3.081 N/A GLY 300.A N ALA 296.A O no hydrogen 2.818 N/A LYS 301.A N LYS 297.A O no hydrogen 3.006 N/A LYS 301.A NZ ASP 305.A OD2 no hydrogen 3.057 N/A ARG 302.A N GLU 298.A O no hydrogen 3.011 N/A SER 303.A N ALA 299.A O no hydrogen 2.968 N/A SER 303.A OG ALA 299.A O no hydrogen 3.260 N/A GLU 304.A N GLY 300.A O no hydrogen 3.030 N/A ASP 305.A N LYS 301.A O no hydrogen 2.874 N/A ASP 306.A N ARG 302.A O no hydrogen 2.920 N/A TRP 307.A N SER 303.A O no hydrogen 3.113 N/A TRP 307.A NE1 ILE 145.A O no hydrogen 2.881 N/A ASN 308.A N GLU 304.A O no hydrogen 2.734 N/A ALA 309.A N ASP 305.A O no hydrogen 3.070 N/A ALA 310.A N ASP 306.A O no hydrogen 2.817 N/A PHE 311.A N TRP 307.A O no hydrogen 2.761 N/A ALA 312.A N ASN 308.A O no hydrogen 2.907 N/A GLN 313.A N ALA 309.A O no hydrogen 3.090 N/A TYR 314.A N ALA 310.A O no hydrogen 2.919 N/A TYR 314.A OH PHE 138.A O no hydrogen 2.697 N/A ARG 315.A N PHE 311.A O no hydrogen 2.824 N/A ARG 315.A NH1 GLU 326.A OE1 no hydrogen 3.559 N/A ARG 315.A NH2 GLU 326.A OE2 no hydrogen 2.936 N/A ALA 316.A N ALA 312.A O no hydrogen 3.167 N/A LYS 317.A N GLN 313.A O no hydrogen 3.382 N/A TYR 318.A N TYR 314.A O no hydrogen 2.658 N/A TYR 318.A OH ASP 142.A OD1 no hydrogen 2.525 N/A TYR 318.A OH ASP 142.A OD2 no hydrogen 3.388 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.783 N/A ALA 322.A N TYR 318.A O no hydrogen 2.846 N/A ALA 323.A N PRO 319.A O no hydrogen 3.067 N/A GLU 324.A N ALA 320.A O no hydrogen 3.116 N/A PHE 325.A N GLU 321.A O no hydrogen 2.764 N/A GLU 326.A N ALA 322.A O no hydrogen 3.060 N/A ARG 327.A N ALA 323.A O no hydrogen 3.040 N/A ARG 327.A NE GLU 324.A OE2 no hydrogen 3.060 N/A ARG 327.A NH1 THR 332.A O no hydrogen 2.838 N/A ARG 327.A NH1 GLU 374.A OE2 no hydrogen 2.810 N/A ARG 327.A NH2 GLU 324.A OE1 no hydrogen 2.983 N/A ARG 327.A NH2 GLU 374.A OE1 no hydrogen 2.867 N/A ARG 327.A NH2 GLU 374.A OE2 no hydrogen 3.491 N/A ARG 328.A N GLU 324.A O no hydrogen 2.920 N/A ARG 328.A NE GLY 432.A O no hydrogen 2.996 N/A ARG 328.A NH1 GLU 137.A OE2 no hydrogen 2.863 N/A ARG 328.A NH2 GLU 137.A OE1 no hydrogen 2.865 N/A ARG 328.A NH2 GLU 137.A OE2 no hydrogen 3.361 N/A ARG 328.A NH2 GLY 432.A O no hydrogen 3.054 N/A MET 329.A N PHE 325.A O no hydrogen 2.854 N/A ALA 330.A N GLU 326.A O no hydrogen 3.040 N/A GLY 331.A N ARG 328.A O no hydrogen 2.954 N/A THR 332.A N ARG 327.A O no hydrogen 3.172 N/A TRP 337.A N PRO 334.A O no hydrogen 2.925 N/A LYS 340.A N ASP 336.A O no hydrogen 3.148 N/A LYS 340.A NZ ASP 336.A OD1 no hydrogen 2.627 N/A LYS 340.A NZ ASP 336.A OD2 no hydrogen 3.152 N/A ALA 341.A N TRP 337.A O no hydrogen 2.863 N/A ALA 342.A N ALA 338.A O no hydrogen 3.118 N/A ALA 343.A N ALA 339.A O no hydrogen 2.925 N/A ILE 344.A N LYS 340.A O no hydrogen 3.361 N/A VAL 345.A N ALA 341.A O no hydrogen 3.016 N/A ALA 346.A N ALA 342.A O no hydrogen 2.836 N/A GLY 347.A N ALA 343.A O no hydrogen 3.008 N/A ALA 348.A N ILE 344.A O no hydrogen 3.282 N/A ASN 349.A N VAL 345.A O no hydrogen 3.065 N/A GLU 350.A N ALA 346.A O no hydrogen 2.812 N/A ARG 351.A N GLY 347.A O no hydrogen 3.004 N/A THR 357.A N SER 524.A OG no hydrogen 3.183 N/A THR 357.A OG1 SER 524.A OG no hydrogen 3.162 N/A ARG 358.A N SER 524.A O no hydrogen 3.279 N/A ARG 358.A NE ARG 525.A O no hydrogen 3.347 N/A ARG 358.A NH1 SER 385.A O no hydrogen 2.802 N/A ALA 360.A N ALA 356.A O no hydrogen 2.978 N/A SER 361.A N THR 357.A O no hydrogen 2.792 N/A GLN 362.A N ARG 358.A O no hydrogen 3.116 N/A GLN 362.A NE2 ASN 389.A O no hydrogen 2.898 N/A GLN 363.A N LYS 359.A O no hydrogen 2.863 N/A GLN 363.A NE2 GLU 353.A OE1 no hydrogen 3.156 N/A THR 364.A N ALA 360.A O no hydrogen 2.871 N/A THR 364.A OG1 ALA 360.A O no hydrogen 2.948 N/A ILE 365.A N SER 361.A O no hydrogen 2.757 N/A GLU 366.A N GLN 362.A O no hydrogen 2.956 N/A GLY 367.A N GLN 363.A O no hydrogen 3.264 N/A LEU 368.A N THR 364.A O no hydrogen 2.856 N/A ALA 369.A N ILE 365.A O no hydrogen 2.842 N/A ALA 370.A N GLU 366.A O no hydrogen 3.372 N/A VAL 371.A N LEU 368.A O no hydrogen 3.106 N/A LEU 372.A N LEU 368.A O no hydrogen 2.697 N/A GLU 374.A N GLU 374.A OE1 no hydrogen 2.718 N/A LEU 375.A N LEU 372.A O no hydrogen 2.898 N/A LEU 376.A N LYS 434.A O no hydrogen 2.960 N/A GLY 377.A N ASN 409.A O no hydrogen 3.013 N/A SER 379.A N ILE 411.A O no hydrogen 3.135 N/A SER 379.A OG ASN 386.A OD1 no hydrogen 2.843 N/A SER 379.A OG GLY 438.A O no hydrogen 3.476 N/A ALA 380.A N GLY 438.A O no hydrogen 2.999 N/A LEU 382.A N SER 379.A OG no hydrogen 3.065 N/A SER 385.A N LEU 382.A O no hydrogen 2.941 N/A ASN 386.A N LEU 382.A O no hydrogen 2.620 N/A ASN 386.A ND2 THR 466.A OG1 no hydrogen 2.854 N/A LEU 387.A N THR 383.A O no hydrogen 2.869 N/A THR 388.A OG1 HIS 410.A NE2 no hydrogen 3.035 N/A TRP 390.A N ASN 389.A OD1 no hydrogen 2.980 N/A LYS 391.A NZ GLU 366.A OE1 no hydrogen 3.430 N/A SER 393.A N TRP 390.A O no hydrogen 2.808 N/A SER 393.A OG ASN 389.A OD1 no hydrogen 2.585 N/A SER 393.A OG TRP 390.A O no hydrogen 3.076 N/A LYS 394.A N ASN 409.A OD1 no hydrogen 2.806 N/A VAL 396.A N HIS 410.A O no hydrogen 3.011 N/A ARG 397.A NH1 VAL 396.A O no hydrogen 3.075 N/A ARG 397.A NH1 ASN 412.A OD1 no hydrogen 2.903 N/A ARG 397.A NH2 ASN 412.A OD1 no hydrogen 3.232 N/A ASN 399.A N GLY 404.A O no hydrogen 2.822 N/A ASN 399.A ND2 PRO 403.A O no hydrogen 2.617 N/A GLY 404.A N LYS 175.A O no hydrogen 2.797 N/A GLN 406.A N ARG 397.A O no hydrogen 2.753 N/A ASN 409.A N LYS 394.A O no hydrogen 2.671 N/A HIS 410.A N LYS 394.A O no hydrogen 3.208 N/A HIS 410.A NE2 THR 388.A OG1 no hydrogen 3.035 N/A ILE 411.A N GLY 377.A O no hydrogen 2.860 N/A TYR 413.A N SER 379.A O no hydrogen 2.986 N/A ARG 416.A NH1 TYR 413.A O no hydrogen 2.847 N/A ARG 416.A NH2 SER 169.A OG no hydrogen 2.679 N/A GLY 419.A N GLU 166.A OE1 no hydrogen 2.711 N/A MET 420.A N ARG 416.A O no hydrogen 2.654 N/A SER 421.A N GLU 417.A O no hydrogen 2.880 N/A SER 421.A OG GLU 417.A O no hydrogen 2.693 N/A ALA 422.A N PHE 418.A O no hydrogen 2.974 N/A ALA 423.A N GLY 419.A O no hydrogen 2.926 N/A ILE 424.A N MET 420.A O no hydrogen 2.887 N/A ASN 425.A N SER 421.A O no hydrogen 3.069 N/A ASN 425.A ND2 ALA 450.A O no hydrogen 2.992 N/A GLY 426.A N ALA 422.A O no hydrogen 3.025 N/A LEU 427.A N ALA 423.A O no hydrogen 2.798 N/A VAL 428.A N ILE 424.A O no hydrogen 2.863 N/A LEU 429.A N ASN 425.A O no hydrogen 2.916 N/A HIS 430.A N GLY 426.A O no hydrogen 2.883 N/A HIS 430.A ND1 GLY 431.A O no hydrogen 2.959 N/A HIS 430.A NE2 HIS 148.A NE2 no hydrogen 2.783 N/A GLY 431.A N VAL 428.A O no hydrogen 3.336 N/A TYR 433.A OH GLU 137.A OE1 no hydrogen 2.658 N/A LYS 434.A N GLU 374.A O no hydrogen 2.731 N/A LYS 434.A NZ VAL 513.A O no hydrogen 3.305 N/A PHE 436.A N LEU 376.A O no hydrogen 2.890 N/A GLY 437.A N ILE 462.A O no hydrogen 3.205 N/A GLY 438.A N GLY 378.A O no hydrogen 2.933 N/A THR 439.A N VAL 464.A O no hydrogen 3.136 N/A LEU 441.A N THR 466.A O no hydrogen 2.878 N/A THR 442.A OG1 HIS 479.A O no hydrogen 2.695 N/A THR 442.A OG1 SER 481.A OG no hydrogen 2.888 N/A PHE 443.A N PHE 440.A O no hydrogen 2.959 N/A SER 444.A N LEU 441.A O no hydrogen 2.931 N/A SER 444.A OG LEU 441.A O no hydrogen 2.618 N/A ASP 445.A N THR 442.A O no hydrogen 3.025 N/A TYR 446.A N PHE 443.A O no hydrogen 2.836 N/A SER 447.A OG SER 444.A O no hydrogen 3.501 N/A ARG 448.A NH1 SER 487.A OG no hydrogen 2.933 N/A ARG 448.A NH2 SER 487.A O no hydrogen 2.727 N/A ALA 450.A N SER 447.A O no hydrogen 2.850 N/A ARG 452.A N ARG 448.A O no hydrogen 3.077 N/A VAL 453.A N ASN 449.A O no hydrogen 2.900 N/A ALA 454.A N ALA 450.A O no hydrogen 3.032 N/A ALA 455.A N LEU 451.A O no hydrogen 3.046 N/A LEU 456.A N ARG 452.A O no hydrogen 2.757 N/A MET 457.A N VAL 453.A O no hydrogen 2.873 N/A VAL 459.A N ALA 454.A O no hydrogen 3.346 N/A SER 461.A N VAL 459.A O no hydrogen 3.002 N/A SER 461.A OG ASN 425.A OD1 no hydrogen 2.812 N/A PHE 463.A N SER 519.A O no hydrogen 2.885 N/A VAL 464.A N GLY 437.A O no hydrogen 2.893 N/A PHE 465.A N LEU 521.A O no hydrogen 2.778 N/A THR 466.A N THR 439.A O no hydrogen 3.059 N/A THR 466.A OG1 HIS 467.A ND1 no hydrogen 2.721 N/A HIS 467.A ND1 THR 466.A OG1 no hydrogen 2.721 N/A GLY 471.A N SER 469.A OG no hydrogen 2.889 N/A LEU 472.A N SER 469.A O no hydrogen 2.919 N/A GLY 473.A N ILE 470.A O no hydrogen 2.908 N/A GLU 474.A N GLU 474.A OE1 no hydrogen 2.726 N/A GLY 476.A N GLY 473.A O no hydrogen 3.231 N/A THR 478.A OG1 HIS 479.A ND1 no hydrogen 2.868 N/A HIS 479.A N GLY 476.A O no hydrogen 2.974 N/A HIS 479.A ND1 THR 478.A OG1 no hydrogen 2.868 N/A GLN 480.A N GLY 476.A O no hydrogen 2.960 N/A GLN 480.A NE2 GLY 473.A O no hydrogen 2.779 N/A GLN 480.A NE2 GLU 644.A O no hydrogen 2.884 N/A SER 481.A OG THR 442.A OG1 no hydrogen 2.888 N/A VAL 482.A N GLU 483.A OE1 no hydrogen 3.364 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.690 N/A HIS 484.A NE2 ASP 445.A OD2 no hydrogen 2.895 N/A SER 487.A N GLU 483.A O no hydrogen 2.935 N/A SER 487.A OG HIS 484.A O no hydrogen 2.930 N/A LEU 488.A N HIS 484.A O no hydrogen 2.914 N/A ARG 489.A N VAL 485.A O no hydrogen 3.262 N/A ARG 489.A NH1 GLU 619.A OE1 no hydrogen 3.048 N/A ARG 489.A NH1 GLU 619.A OE2 no hydrogen 3.486 N/A ARG 489.A NH2 GLU 619.A OE2 no hydrogen 2.817 N/A ILE 491.A N LEU 488.A O no hydrogen 3.212 N/A ASN 493.A ND2 ALA 455.A O no hydrogen 3.205 N/A LEU 494.A N ILE 491.A O no hydrogen 3.378 N/A ASP 495.A N PRO 518.A O no hydrogen 3.239 N/A VAL 496.A N ASP 595.A OD2 no hydrogen 3.078 N/A TRP 497.A N CYS 520.A O no hydrogen 2.836 N/A ARG 498.A N PRO 592.A O no hydrogen 2.933 N/A ARG 498.A NE ASP 468.A OD2 no hydrogen 2.816 N/A ARG 498.A NH1 THR 565.A OG1 no hydrogen 2.927 N/A ARG 498.A NH1 GLU 568.A OE1 no hydrogen 2.672 N/A ARG 498.A NH2 ASP 468.A OD2 no hydrogen 2.904 N/A ARG 498.A NH2 GLU 568.A OE1 no hydrogen 2.895 N/A ALA 500.A N GLU 504.A OE1 no hydrogen 2.721 N/A GLU 504.A N ASP 501.A OD1 no hydrogen 3.029 N/A THR 505.A N ASP 501.A O no hydrogen 3.009 N/A THR 505.A OG1 ASP 501.A O no hydrogen 2.858 N/A ALA 506.A N THR 502.A O no hydrogen 2.910 N/A VAL 507.A N VAL 503.A O no hydrogen 3.029 N/A ALA 508.A N GLU 504.A O no hydrogen 2.801 N/A TRP 509.A N THR 505.A O no hydrogen 2.927 N/A TRP 509.A NE1 SER 361.A OG no hydrogen 2.953 N/A THR 510.A N ALA 506.A O no hydrogen 2.952 N/A THR 510.A OG1 ALA 506.A O no hydrogen 2.780 N/A THR 510.A OG1 VAL 507.A O no hydrogen 3.238 N/A TYR 511.A N VAL 507.A O no hydrogen 2.751 N/A ALA 512.A N ALA 508.A O no hydrogen 2.831 N/A VAL 513.A N TRP 509.A O no hydrogen 2.912 N/A ALA 514.A N TYR 511.A O no hydrogen 3.147 N/A HIS 515.A N TYR 511.A O no hydrogen 3.049 N/A HIS 515.A N ALA 512.A O no hydrogen 3.385 N/A SER 519.A N SER 461.A O no hydrogen 3.040 N/A CYS 520.A N ASP 495.A O no hydrogen 2.782 N/A LEU 521.A N PHE 463.A O no hydrogen 2.907 N/A ILE 522.A N TRP 497.A O no hydrogen 2.850 N/A PHE 523.A N PHE 465.A O no hydrogen 2.777 N/A SER 524.A N THR 357.A OG1 no hydrogen 2.696 N/A SER 524.A OG THR 357.A OG1 no hydrogen 3.162 N/A SER 524.A OG GLN 526.A O no hydrogen 2.781 N/A GLN 526.A N GLN 526.A OE1 no hydrogen 2.652 N/A LEU 528.A N VAL 355.A O no hydrogen 2.812 N/A ALA 529.A N GLU 570.A OE1 no hydrogen 3.000 N/A PHE 530.A N THR 354.A OG1 no hydrogen 3.129 N/A ASN 531.A N ASP 501.A OD2 no hydrogen 3.037 N/A ASN 531.A ND2 ASP 501.A OD2 no hydrogen 2.959 N/A ARG 533.A NE TYR 546.A OH no hydrogen 2.952 N/A ARG 533.A NH1 ASP 501.A OD1 no hydrogen 3.388 N/A ARG 533.A NH1 ASP 501.A OD2 no hydrogen 2.850 N/A ARG 533.A NH2 ASP 501.A OD1 no hydrogen 3.399 N/A ARG 533.A NH2 ASP 501.A OD2 no hydrogen 2.791 N/A ARG 533.A NH2 GLU 504.A OE2 no hydrogen 3.365 N/A ARG 533.A NH2 TYR 546.A OH no hydrogen 3.164 N/A THR 534.A N GLN 537.A OE1 no hydrogen 2.980 N/A GLN 537.A N THR 534.A OG1 no hydrogen 3.215 N/A GLN 537.A NE2 VAL 547.A O no hydrogen 3.690 N/A LEU 538.A N THR 534.A O no hydrogen 2.912 N/A ALA 539.A N ASP 535.A O no hydrogen 3.009 N/A ASN 540.A N GLN 537.A O no hydrogen 2.889 N/A LYS 543.A N ASN 540.A O no hydrogen 2.961 N/A LYS 543.A NZ ASN 540.A OD1 no hydrogen 3.183 N/A GLY 544.A N VAL 541.A O no hydrogen 3.058 N/A TYR 546.A N SER 590.A O no hydrogen 2.918 N/A TYR 546.A OH GLU 504.A OE2 no hydrogen 2.579 N/A LEU 548.A N VAL 588.A O no hydrogen 2.833 N/A ARG 549.A N VAL 588.A O no hydrogen 3.179 N/A ARG 549.A NH2 ALA 586.A O no hydrogen 3.283 N/A TRP 551.A N ASP 550.A OD1 no hydrogen 2.823 N/A TRP 551.A NE1 ALA 585.A O no hydrogen 2.976 N/A ILE 560.A N ALA 585.A O no hydrogen 2.916 N/A ILE 561.A N ARG 614.A O no hydrogen 2.903 N/A LEU 562.A N ARG 587.A O no hydrogen 2.788 N/A ILE 563.A N VAL 616.A O no hydrogen 2.898 N/A ALA 564.A N VAL 589.A O no hydrogen 2.976 N/A THR 565.A OG1 GLU 619.A OE2 no hydrogen 2.595 N/A SER 567.A OG GLU 568.A OE1 no hydrogen 3.127 N/A SER 567.A OG GLU 568.A OE2 no hydrogen 2.660 N/A GLU 568.A N THR 565.A O no hydrogen 2.862 N/A VAL 569.A N GLY 566.A O no hydrogen 3.117 N/A ALA 572.A N GLU 568.A O no hydrogen 2.972 N/A MET 573.A N VAL 569.A O no hydrogen 2.837 N/A LYS 574.A N GLU 570.A O no hydrogen 2.929 N/A ALA 575.A N ALA 572.A O no hydrogen 3.145 N/A VAL 576.A N MET 573.A O no hydrogen 3.181 N/A LEU 579.A N ALA 575.A O no hydrogen 2.954 N/A ALA 580.A N VAL 576.A O no hydrogen 2.988 N/A GLN 581.A N GLU 577.A O no hydrogen 2.890 N/A GLN 582.A N LEU 579.A O no hydrogen 3.003 N/A GLY 583.A N ALA 580.A O no hydrogen 2.746 N/A ILE 584.A N LEU 579.A O no hydrogen 2.954 N/A ALA 585.A N ARG 558.A O no hydrogen 2.751 N/A ARG 587.A N ILE 560.A O no hydrogen 2.901 N/A ARG 587.A NE ASP 550.A OD1 no hydrogen 3.077 N/A ARG 587.A NH1 ARG 607.A O no hydrogen 2.876 N/A ARG 587.A NH1 VAL 608.A O no hydrogen 2.933 N/A ARG 587.A NH2 ASP 550.A OD1 no hydrogen 2.847 N/A VAL 588.A N ARG 549.A O no hydrogen 2.861 N/A VAL 589.A N LEU 562.A O no hydrogen 2.688 N/A SER 590.A N TYR 546.A O no hydrogen 3.016 N/A SER 590.A OG GLU 504.A OE1 no hydrogen 3.457 N/A SER 590.A OG GLU 504.A OE2 no hydrogen 2.650 N/A MET 591.A N ALA 564.A O no hydrogen 2.945 N/A SER 593.A N GLY 544.A O no hydrogen 2.883 N/A SER 593.A OG VAL 496.A O no hydrogen 2.934 N/A VAL 596.A N SER 593.A OG no hydrogen 3.190 N/A PHE 597.A N SER 593.A O no hydrogen 2.974 N/A ASP 598.A N SER 594.A O no hydrogen 2.862 N/A ARG 599.A N VAL 596.A O no hydrogen 2.979 N/A ARG 599.A NH1 ASP 495.A OD1 no hydrogen 2.746 N/A ARG 599.A NH2 ASP 495.A OD2 no hydrogen 3.150 N/A ARG 599.A NH2 TYR 511.A OH no hydrogen 2.917 N/A GLN 600.A N PHE 597.A O no hydrogen 3.018 N/A GLN 600.A NE2 VAL 596.A O no hydrogen 3.076 N/A TYR 604.A N ASP 601.A OD1 no hydrogen 3.226 N/A TYR 604.A OH GLY 545.A O no hydrogen 2.750 N/A ARG 605.A N ASP 601.A O no hydrogen 2.922 N/A ARG 605.A NE GLN 600.A O no hydrogen 2.937 N/A GLU 606.A N ALA 602.A O no hydrogen 2.958 N/A ARG 607.A N GLU 603.A O no hydrogen 2.990 N/A VAL 608.A N TYR 604.A O no hydrogen 3.136 N/A LEU 609.A N ARG 605.A O no hydrogen 2.838 N/A HIS 611.A N GLU 606.A OE1 no hydrogen 3.313 N/A HIS 611.A N GLU 606.A OE2 no hydrogen 3.234 N/A VAL 613.A N PRO 610.A O no hydrogen 3.308 N/A ARG 614.A NH1 VAL 669.A O no hydrogen 2.889 N/A ARG 614.A NH1 ALA 671.A O no hydrogen 3.494 N/A ARG 615.A NE VAL 613.A O no hydrogen 2.852 N/A ARG 615.A NH1 TYR 629.A O no hydrogen 2.865 N/A ARG 615.A NH2 PRO 610.A O no hydrogen 2.935 N/A VAL 616.A N ILE 561.A O no hydrogen 2.819 N/A ALA 617.A N GLY 635.A O no hydrogen 2.945 N/A ILE 618.A N ILE 563.A O no hydrogen 2.703 N/A GLU 619.A N VAL 637.A O no hydrogen 3.073 N/A ALA 620.A N GLU 568.A OE1 no hydrogen 2.884 N/A GLY 621.A N GLU 619.A O no hydrogen 2.831 N/A VAL 622.A N VAL 482.A O no hydrogen 2.976 N/A THR 623.A N ASP 640.A OD1 no hydrogen 2.938 N/A THR 623.A OG1 ASP 640.A OD1 no hydrogen 3.425 N/A THR 623.A OG1 ASP 640.A OD2 no hydrogen 2.624 N/A TRP 626.A N THR 623.A O no hydrogen 2.976 N/A TRP 626.A NE1 GLU 619.A OE1 no hydrogen 2.916 N/A ARG 627.A N ASP 624.A O no hydrogen 3.080 N/A ARG 627.A NH1 GLY 631.A O no hydrogen 2.835 N/A ARG 627.A NH1 GLY 634.A O no hydrogen 2.937 N/A LYS 628.A N PHE 625.A O no hydrogen 3.357 N/A LYS 628.A NZ ASP 598.A OD2 no hydrogen 2.905 N/A TYR 629.A N TRP 626.A O no hydrogen 2.814 N/A TYR 629.A OH ASP 598.A OD1 no hydrogen 2.704 N/A VAL 630.A N TRP 626.A O no hydrogen 2.902 N/A GLY 631.A N ARG 627.A O no hydrogen 3.033 N/A GLU 633.A N GLU 633.A OE1 no hydrogen 2.701 N/A GLY 634.A N GLY 631.A O no hydrogen 3.378 N/A GLY 635.A N ARG 615.A O no hydrogen 3.116 N/A VAL 637.A N ALA 617.A O no hydrogen 2.720 N/A ILE 639.A N GLY 621.A O no hydrogen 2.946 N/A THR 641.A OG1 PHE 642.A O no hydrogen 2.908 N/A SER 645.A OG GLU 474.A O no hydrogen 2.637 N/A LEU 651.A N PRO 647.A O no hydrogen 3.040 N/A PHE 652.A N ALA 648.A O no hydrogen 2.855 N/A LYS 653.A N GLY 649.A O no hydrogen 3.120 N/A HIS 654.A N VAL 650.A O no hydrogen 2.795 N/A PHE 655.A N LEU 651.A O no hydrogen 2.800 N/A GLY 656.A N LYS 653.A O no hydrogen 3.226 N/A PHE 657.A N PHE 652.A O no hydrogen 2.942 N/A HIS 661.A N THR 658.A OG1 no hydrogen 3.125 N/A HIS 661.A ND1 GLY 656.A O no hydrogen 2.754 N/A VAL 662.A N THR 658.A O no hydrogen 3.133 N/A ILE 663.A N VAL 659.A O no hydrogen 2.879 N/A GLU 664.A N GLU 660.A O no hydrogen 3.013 N/A THR 665.A N HIS 661.A O no hydrogen 2.850 N/A THR 665.A OG1 HIS 661.A O no hydrogen 2.918 N/A ALA 666.A N VAL 662.A O no hydrogen 2.890 N/A LYS 667.A N ILE 663.A O no hydrogen 2.889 N/A LYS 667.A NZ GLN 582.A OE1 no hydrogen 2.679 N/A ALA 668.A N GLU 664.A O no hydrogen 2.961 N/A VAL 669.A N THR 665.A O no hydrogen 3.006 N/A LEU 670.A N ALA 666.A O no hydrogen 3.009 N/A ALA 671.A N LYS 667.A O no hydrogen 3.036 N/A