Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mrs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASN 1.A OD1 no hydrogen 3.156 N/A LYS 3.A NZ ASP 323.A OD1 no hydrogen 2.836 N/A ASP 4.A N ASN 1.A O no hydrogen 3.229 N/A ALA 5.A N LYS 3.A O no hydrogen 2.918 N/A ASP 8.A N ARG 6.A O no hydrogen 3.033 N/A GLN 11.A N ASP 8.A OD1 no hydrogen 3.132 N/A GLN 11.A NE2 PRO 2.A O no hydrogen 3.062 N/A GLN 11.A NE2 LYS 3.A O no hydrogen 3.424 N/A GLN 11.A NE2 ALA 5.A O no hydrogen 3.619 N/A THR 12.A N ASP 8.A O no hydrogen 3.194 N/A THR 12.A OG1 ASP 8.A O no hydrogen 3.246 N/A LEU 13.A N GLY 9.A O no hydrogen 2.947 N/A LYS 14.A N TRP 10.A O no hydrogen 2.925 N/A ARG 15.A N GLN 11.A O no hydrogen 2.911 N/A ARG 15.A NH1 ASP 323.A OD1 no hydrogen 2.999 N/A ARG 15.A NH1 ASP 323.A OD2 no hydrogen 2.666 N/A ARG 15.A NH2 ASP 323.A OD1 no hydrogen 3.326 N/A PHE 16.A N THR 12.A O no hydrogen 2.957 N/A LEU 17.A N LYS 14.A O no hydrogen 3.343 N/A TYR 19.A N PHE 16.A O no hydrogen 2.979 N/A TRP 21.A N LEU 17.A O no hydrogen 2.979 N/A VAL 27.A N ASN 25.A OD1 no hydrogen 3.186 N/A ARG 31.A N VAL 27.A O no hydrogen 3.317 N/A ARG 31.A NH1 VAL 95.A O no hydrogen 3.257 N/A VAL 32.A N LEU 28.A O no hydrogen 2.968 N/A VAL 33.A N ARG 29.A O no hydrogen 2.981 N/A GLY 34.A N ARG 30.A O no hydrogen 2.881 N/A ALA 35.A N ARG 31.A O no hydrogen 2.909 N/A ILE 36.A N VAL 32.A O no hydrogen 2.958 N/A LEU 37.A N VAL 33.A O no hydrogen 2.912 N/A LEU 39.A N ILE 36.A O no hydrogen 2.966 N/A LEU 40.A N LEU 37.A O no hydrogen 2.911 N/A LYS 42.A N VAL 38.A O no hydrogen 2.953 N/A LYS 42.A NZ GLU 158.A OE1 no hydrogen 2.912 N/A ALA 43.A N LEU 39.A O no hydrogen 2.895 N/A THR 44.A N LEU 40.A O no hydrogen 2.878 N/A THR 44.A OG1 LEU 40.A O no hydrogen 2.954 N/A THR 45.A N GLY 41.A O no hydrogen 2.934 N/A THR 45.A OG1 GLY 41.A O no hydrogen 3.479 N/A THR 45.A OG1 LYS 42.A O no hydrogen 3.521 N/A LEU 46.A N LYS 42.A O no hydrogen 2.915 N/A ALA 47.A N ALA 43.A O no hydrogen 2.896 N/A LEU 48.A N THR 44.A O no hydrogen 2.926 N/A PHE 50.A N ALA 47.A O no hydrogen 3.118 N/A ALA 51.A N ALA 47.A O no hydrogen 3.400 N/A TYR 52.A N LEU 48.A O no hydrogen 3.148 N/A LYS 53.A N PRO 49.A O no hydrogen 2.807 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 3.433 N/A LYS 53.A NZ THR 284.A OG1 no hydrogen 3.400 N/A LYS 53.A NZ ASP 287.A OD1 no hydrogen 2.399 N/A LYS 54.A N PHE 50.A O no hydrogen 2.945 N/A ALA 55.A N ALA 51.A O no hydrogen 3.097 N/A VAL 56.A N TYR 52.A O no hydrogen 3.195 N/A ASP 57.A N LYS 53.A O no hydrogen 2.978 N/A ALA 58.A N LYS 54.A O no hydrogen 2.802 N/A THR 59.A OG1 VAL 56.A O no hydrogen 3.136 N/A THR 59.A OG1 ASP 57.A O no hydrogen 3.358 N/A LEU 60.A N ASP 57.A O no hydrogen 2.690 N/A GLN 65.A NE2 GLY 61.A O no hydrogen 3.289 N/A VAL 70.A N PRO 66.A O no hydrogen 3.102 N/A ALA 71.A N ALA 67.A O no hydrogen 2.888 N/A LEU 72.A N LEU 68.A O no hydrogen 2.940 N/A ALA 73.A N THR 69.A O no hydrogen 2.931 N/A PHE 74.A N VAL 70.A O no hydrogen 2.989 N/A VAL 75.A N ALA 71.A O no hydrogen 2.934 N/A LEU 76.A N LEU 72.A O no hydrogen 2.955 N/A ALA 77.A N ALA 73.A O no hydrogen 2.942 N/A TYR 78.A N PHE 74.A O no hydrogen 2.897 N/A ALA 79.A N VAL 75.A O no hydrogen 2.979 N/A LEU 80.A N LEU 76.A O no hydrogen 2.906 N/A GLY 81.A N ALA 77.A O no hydrogen 2.898 N/A ARG 82.A N TYR 78.A O no hydrogen 2.926 N/A PHE 83.A N ALA 79.A O no hydrogen 3.075 N/A SER 84.A N LEU 80.A O no hydrogen 2.900 N/A SER 84.A OG LEU 80.A O no hydrogen 3.064 N/A GLY 85.A N GLY 81.A O no hydrogen 2.915 N/A VAL 86.A N ARG 82.A O no hydrogen 3.136 N/A LEU 87.A N PHE 83.A O no hydrogen 2.961 N/A PHE 88.A N SER 84.A O no hydrogen 2.918 N/A ASP 89.A N GLY 85.A O no hydrogen 3.023 N/A ASN 90.A N VAL 86.A O no hydrogen 2.978 N/A ASN 90.A ND2 VAL 86.A O no hydrogen 2.953 N/A LEU 91.A N LEU 87.A O no hydrogen 2.908 N/A ARG 92.A N PHE 88.A O no hydrogen 2.944 N/A ARG 92.A NE ASN 93.A OD1 no hydrogen 2.937 N/A ASN 93.A N ASP 89.A O no hydrogen 3.052 N/A ILE 94.A N ASN 90.A O no hydrogen 2.899 N/A VAL 95.A N LEU 91.A O no hydrogen 2.923 N/A PHE 96.A N ARG 92.A O no hydrogen 2.925 N/A GLU 97.A N ASN 93.A O no hydrogen 2.934 N/A GLY 100.A N PHE 96.A O no hydrogen 3.061 N/A GLN 101.A N GLU 97.A O no hydrogen 2.951 N/A GLN 101.A NE2 GLU 97.A OE2 no hydrogen 3.438 N/A ASP 102.A N ARG 98.A O no hydrogen 2.917 N/A ALA 103.A N VAL 99.A O no hydrogen 2.931 N/A THR 104.A N GLY 100.A O no hydrogen 2.955 N/A THR 104.A OG1 GLY 100.A O no hydrogen 3.141 N/A THR 104.A OG1 GLN 101.A O no hydrogen 3.407 N/A ARG 105.A N GLN 101.A O no hydrogen 2.952 N/A ARG 105.A NH1 GLU 109.A OE2 no hydrogen 2.676 N/A HIS 106.A N ASP 102.A O no hydrogen 2.900 N/A LEU 107.A N ALA 103.A O no hydrogen 2.966 N/A ALA 108.A N THR 104.A O no hydrogen 3.010 N/A GLU 109.A N ARG 105.A O no hydrogen 2.871 N/A ASN 110.A N HIS 106.A O no hydrogen 2.969 N/A ASN 110.A ND2 TYR 19.A OH no hydrogen 2.734 N/A VAL 111.A N LEU 107.A O no hydrogen 2.989 N/A PHE 112.A N ALA 108.A O no hydrogen 2.913 N/A ALA 113.A N GLU 109.A O no hydrogen 2.964 N/A ARG 114.A N ASN 110.A O no hydrogen 3.006 N/A ARG 114.A NH1 THR 324.A O no hydrogen 2.734 N/A LEU 115.A N VAL 111.A O no hydrogen 2.813 N/A HIS 116.A N PHE 112.A O no hydrogen 3.062 N/A LYS 117.A N ALA 113.A O no hydrogen 3.004 N/A LEU 118.A N ARG 114.A O no hydrogen 2.959 N/A SER 119.A OG GLU 327.A OE2 no hydrogen 3.521 N/A ARG 121.A NH1 TYR 353.A O no hydrogen 2.907 N/A ARG 121.A NH2 TYR 353.A O no hydrogen 2.993 N/A HIS 123.A N LEU 120.A O no hydrogen 2.687 N/A ALA 125.A N HIS 123.A O no hydrogen 2.640 N/A ARG 126.A NH2 PHE 122.A O no hydrogen 3.382 N/A VAL 131.A N ARG 127.A O no hydrogen 3.273 N/A THR 132.A N THR 128.A O no hydrogen 2.905 N/A THR 132.A OG1 THR 128.A O no hydrogen 2.533 N/A LYS 133.A N GLY 129.A O no hydrogen 2.917 N/A VAL 134.A N GLU 130.A O no hydrogen 2.925 N/A ILE 135.A N VAL 131.A O no hydrogen 2.889 N/A GLU 136.A N THR 132.A O no hydrogen 2.893 N/A ARG 137.A N LYS 133.A O no hydrogen 2.931 N/A ARG 137.A NH1 ASP 316.A OD2 no hydrogen 3.506 N/A GLY 138.A N VAL 134.A O no hydrogen 2.840 N/A THR 139.A N ILE 135.A O no hydrogen 2.908 N/A THR 139.A OG1 ILE 135.A O no hydrogen 2.842 N/A LYS 140.A N GLU 136.A O no hydrogen 3.022 N/A SER 141.A N ARG 137.A O no hydrogen 2.925 N/A SER 141.A OG ASP 316.A OD2 no hydrogen 3.069 N/A ILE 142.A N GLY 138.A O no hydrogen 2.871 N/A ASP 143.A N THR 139.A O no hydrogen 2.987 N/A THR 144.A N LYS 140.A O no hydrogen 2.935 N/A THR 144.A OG1 LYS 140.A O no hydrogen 2.819 N/A TYR 146.A N ASP 143.A O no hydrogen 2.917 N/A PHE 147.A N THR 144.A O no hydrogen 2.950 N/A LEU 149.A N LEU 145.A O no hydrogen 2.986 N/A PHE 150.A N TYR 146.A O no hydrogen 2.864 N/A ASN 151.A N PHE 147.A O no hydrogen 2.959 N/A ASN 151.A ND2 PRO 301.A O no hydrogen 3.277 N/A ILE 152.A N PHE 147.A O no hydrogen 2.815 N/A ALA 153.A N LEU 148.A O no hydrogen 3.136 N/A THR 155.A N ASN 151.A O no hydrogen 3.363 N/A THR 155.A OG1 ASN 151.A O no hydrogen 2.856 N/A VAL 156.A N ILE 152.A O no hydrogen 3.078 N/A ILE 157.A N ALA 153.A O no hydrogen 3.102 N/A GLU 158.A N PRO 154.A O no hydrogen 2.745 N/A LEU 159.A N THR 155.A O no hydrogen 2.770 N/A THR 160.A N VAL 156.A O no hydrogen 3.009 N/A THR 160.A OG1 VAL 156.A O no hydrogen 3.508 N/A THR 160.A OG1 ILE 157.A O no hydrogen 2.877 N/A ALA 161.A N ILE 157.A O no hydrogen 3.010 N/A VAL 162.A N GLU 158.A O no hydrogen 2.844 N/A ILE 163.A N LEU 159.A O no hydrogen 3.069 N/A VAL 164.A N THR 160.A O no hydrogen 3.012 N/A ILE 165.A N ALA 161.A O no hydrogen 2.854 N/A PHE 166.A N VAL 162.A O no hydrogen 2.765 N/A TRP 167.A N ILE 163.A O no hydrogen 2.930 N/A LEU 168.A N VAL 164.A O no hydrogen 2.901 N/A ASN 169.A N ILE 165.A O no hydrogen 3.136 N/A PHE 170.A N PHE 166.A O no hydrogen 2.893 N/A THR 176.A N LEU 172.A O no hydrogen 3.253 N/A THR 176.A OG1 GLY 173.A O no hydrogen 3.086 N/A ALA 177.A N GLY 173.A O no hydrogen 2.892 N/A THR 178.A N LEU 174.A O no hydrogen 2.940 N/A THR 178.A OG1 VAL 175.A O no hydrogen 3.325 N/A ILE 179.A N VAL 175.A O no hydrogen 2.935 N/A LEU 180.A N THR 176.A O no hydrogen 2.912 N/A ALA 181.A N ALA 177.A O no hydrogen 2.929 N/A VAL 182.A N THR 178.A O no hydrogen 2.872 N/A ILE 183.A N ILE 179.A O no hydrogen 2.957 N/A ALA 184.A N LEU 180.A O no hydrogen 2.902 N/A TYR 185.A N ALA 181.A O no hydrogen 2.904 N/A TYR 185.A OH LEU 302.A O no hydrogen 2.581 N/A VAL 186.A N VAL 182.A O no hydrogen 2.893 N/A TRP 187.A N ILE 183.A O no hydrogen 2.971 N/A THR 188.A N ALA 184.A O no hydrogen 2.893 N/A THR 188.A OG1 ALA 184.A O no hydrogen 2.712 N/A THR 189.A N TYR 185.A O no hydrogen 2.934 N/A THR 189.A OG1 TYR 185.A O no hydrogen 2.765 N/A ARG 190.A N VAL 186.A O no hydrogen 2.914 N/A THR 191.A N TRP 187.A O no hydrogen 2.962 N/A THR 191.A OG1 THR 188.A O no hydrogen 3.371 N/A ILE 192.A N THR 188.A O no hydrogen 2.981 N/A THR 193.A N THR 189.A O no hydrogen 2.875 N/A THR 193.A OG1 THR 189.A O no hydrogen 2.702 N/A GLU 194.A N ARG 190.A O no hydrogen 3.039 N/A ARG 196.A N ILE 192.A O no hydrogen 2.915 N/A ARG 196.A NH1 SER 253.A OG no hydrogen 2.901 N/A THR 197.A N THR 193.A O no hydrogen 2.896 N/A THR 197.A OG1 THR 193.A O no hydrogen 2.862 N/A HIS 198.A N GLU 194.A O no hydrogen 3.107 N/A LEU 199.A N TRP 195.A O no hydrogen 3.053 N/A ARG 200.A N ARG 196.A O no hydrogen 2.891 N/A GLU 201.A N THR 197.A O no hydrogen 3.009 N/A LYS 202.A N HIS 198.A O no hydrogen 3.058 N/A ARG 204.A N GLU 201.A O no hydrogen 3.012 N/A LEU 205.A N LYS 202.A O no hydrogen 3.037 N/A GLY 207.A N ASN 203.A O no hydrogen 2.977 N/A GLN 208.A N ARG 204.A O no hydrogen 3.081 N/A ALA 209.A N LEU 205.A O no hydrogen 2.980 N/A LEU 210.A N ASP 206.A O no hydrogen 2.975 N/A ALA 211.A N GLY 207.A O no hydrogen 2.914 N/A ARG 212.A N GLN 208.A O no hydrogen 3.041 N/A ARG 212.A NH1 ARG 235.A O no hydrogen 2.877 N/A ALA 213.A N ALA 209.A O no hydrogen 3.065 N/A VAL 214.A N LEU 210.A O no hydrogen 2.872 N/A ASP 215.A N ALA 211.A O no hydrogen 2.927 N/A SER 216.A N ARG 212.A O no hydrogen 3.009 N/A SER 216.A OG GLU 232.A OE1 no hydrogen 3.408 N/A LEU 217.A N ALA 213.A O no hydrogen 2.933 N/A LEU 218.A N VAL 214.A O no hydrogen 2.942 N/A ASN 219.A N SER 216.A O no hydrogen 2.944 N/A VAL 223.A N ASN 219.A O no hydrogen 2.941 N/A LYS 224.A N TYR 220.A O no hydrogen 2.913 N/A LYS 224.A NZ GLU 229.A OE2 no hydrogen 2.819 N/A TYR 225.A N GLU 221.A O no hydrogen 2.821 N/A PHE 226.A N THR 222.A O no hydrogen 3.257 N/A GLY 227.A N LYS 224.A O no hydrogen 2.874 N/A ALA 228.A N VAL 223.A O no hydrogen 2.787 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.793 N/A GLU 232.A N ALA 228.A O no hydrogen 2.890 N/A GLU 233.A N GLU 229.A O no hydrogen 2.882 N/A ALA 234.A N SER 230.A O no hydrogen 2.914 N/A ARG 235.A N ARG 231.A O no hydrogen 2.922 N/A TYR 236.A N GLU 232.A O no hydrogen 2.858 N/A ALA 237.A N GLU 233.A O no hydrogen 2.819 N/A SER 238.A N ALA 234.A O no hydrogen 2.993 N/A SER 238.A OG ARG 235.A O no hydrogen 3.363 N/A ALA 240.A N TYR 236.A O no hydrogen 2.862 N/A ARG 241.A N ALA 237.A O no hydrogen 2.918 N/A ALA 242.A N SER 238.A O no hydrogen 2.990 N/A TYR 243.A N ALA 239.A O no hydrogen 2.956 N/A ALA 244.A N ALA 240.A O no hydrogen 2.909 N/A ASP 245.A N ARG 241.A O no hydrogen 2.959 N/A ALA 246.A N ALA 242.A O no hydrogen 3.091 N/A ALA 247.A N TYR 243.A O no hydrogen 2.845 N/A VAL 248.A N ALA 244.A O no hydrogen 2.951 N/A LYS 249.A N ASP 245.A O no hydrogen 3.092 N/A SER 250.A N ALA 246.A O no hydrogen 2.958 N/A GLU 251.A N ALA 247.A O no hydrogen 2.932 N/A ASN 252.A N VAL 248.A O no hydrogen 2.944 N/A SER 253.A N LYS 249.A O no hydrogen 3.078 N/A SER 253.A OG SER 250.A O no hydrogen 2.676 N/A LEU 254.A N GLU 251.A O no hydrogen 3.160 N/A LEU 256.A N ASN 252.A O no hydrogen 3.135 N/A LEU 257.A N SER 253.A O no hydrogen 2.989 N/A ASN 258.A N LEU 254.A O no hydrogen 2.946 N/A ILE 259.A N GLY 255.A O no hydrogen 2.975 N/A ALA 260.A N LEU 256.A O no hydrogen 2.998 N/A GLN 261.A N LEU 257.A O no hydrogen 2.947 N/A GLN 261.A NE2 THR 189.A OG1 no hydrogen 3.070 N/A ALA 262.A N ASN 258.A O no hydrogen 2.959 N/A LEU 263.A N ILE 259.A O no hydrogen 2.935 N/A ILE 264.A N ALA 260.A O no hydrogen 3.081 N/A VAL 265.A N GLN 261.A O no hydrogen 2.976 N/A ASN 266.A N ALA 262.A O no hydrogen 2.923 N/A ASN 266.A ND2 ALA 262.A O no hydrogen 2.895 N/A LEU 267.A N LEU 263.A O no hydrogen 2.975 N/A LEU 268.A N ILE 264.A O no hydrogen 3.050 N/A GLY 270.A N LEU 267.A O no hydrogen 2.986 N/A ALA 271.A N LEU 268.A O no hydrogen 2.883 N/A TRP 273.A N GLY 270.A O no hydrogen 2.895 N/A THR 274.A N ALA 271.A O no hydrogen 2.901 N/A THR 274.A OG1 ALA 271.A O no hydrogen 2.891 N/A TYR 276.A N ALA 272.A O no hydrogen 2.930 N/A GLY 277.A N TRP 273.A O no hydrogen 2.935 N/A TRP 278.A N THR 274.A O no hydrogen 2.907 N/A SER 279.A N VAL 275.A O no hydrogen 2.906 N/A GLY 281.A N TRP 278.A O no hydrogen 2.973 N/A LEU 283.A N GLY 277.A O no hydrogen 3.123 N/A THR 284.A N ASP 287.A OD2 no hydrogen 2.766 N/A THR 284.A OG1 ASP 57.A OD1 no hydrogen 2.795 N/A THR 284.A OG1 ASP 57.A OD2 no hydrogen 3.143 N/A GLY 286.A N ASP 57.A OD1 no hydrogen 3.049 N/A ASP 287.A N THR 284.A O no hydrogen 3.160 N/A ASP 287.A N THR 284.A OG1 no hydrogen 3.302 N/A LEU 288.A N VAL 285.A O no hydrogen 3.109 N/A PHE 290.A N GLY 286.A O no hydrogen 2.910 N/A VAL 291.A N ASP 287.A O no hydrogen 2.893 N/A ASN 292.A N LEU 288.A O no hydrogen 2.977 N/A THR 293.A N VAL 289.A O no hydrogen 2.935 N/A THR 293.A OG1 VAL 289.A O no hydrogen 3.091 N/A TYR 294.A N PHE 290.A O no hydrogen 2.913 N/A TYR 294.A OH LEU 46.A O no hydrogen 2.603 N/A LEU 295.A N VAL 291.A O no hydrogen 3.001 N/A THR 296.A N ASN 292.A O no hydrogen 3.003 N/A THR 296.A OG1 ASN 292.A O no hydrogen 3.547 N/A THR 296.A OG1 THR 293.A O no hydrogen 3.238 N/A GLN 297.A N THR 293.A O no hydrogen 2.948 N/A GLN 297.A NE2 THR 45.A O no hydrogen 2.972 N/A LEU 298.A N TYR 294.A O no hydrogen 2.948 N/A PHE 299.A N LEU 295.A O no hydrogen 2.992 N/A ASP 303.A N ARG 300.A O no hydrogen 3.051 N/A TYR 307.A N LEU 304.A O no hydrogen 2.762 N/A ARG 308.A N GLY 305.A O no hydrogen 2.953 N/A THR 309.A OG1 VAL 306.A O no hydrogen 3.316 N/A ILE 310.A N VAL 306.A O no hydrogen 2.897 N/A ARG 311.A N TYR 307.A O no hydrogen 3.107 N/A GLN 312.A N ARG 308.A O no hydrogen 3.157 N/A GLN 312.A NE2 ASP 316.A OD1 no hydrogen 2.818 N/A GLY 313.A N THR 309.A O no hydrogen 2.767 N/A LEU 314.A N ILE 310.A O no hydrogen 2.923 N/A ILE 315.A N ARG 311.A O no hydrogen 3.070 N/A ASP 316.A N GLN 312.A O no hydrogen 2.901 N/A GLU 318.A N ILE 315.A O no hydrogen 3.165 N/A ARG 320.A N ALA 317.A O no hydrogen 2.880 N/A ARG 320.A NE GLU 318.A OE1 no hydrogen 3.541 N/A ARG 320.A NE GLU 318.A OE2 no hydrogen 2.996 N/A ARG 320.A NH2 GLU 318.A OE2 no hydrogen 2.753 N/A LEU 321.A N GLU 318.A O no hydrogen 3.201 N/A ASP 323.A N PHE 319.A O no hydrogen 2.958 N/A THR 324.A N ARG 320.A O no hydrogen 3.013 N/A THR 324.A N LEU 321.A O no hydrogen 3.170 N/A THR 324.A OG1 ARG 320.A O no hydrogen 2.988 N/A LEU 337.A N SER 415.A OG no hydrogen 2.820 N/A VAL 338.A N GLN 406.A OE1 no hydrogen 2.938 N/A ASN 340.A N ASP 404.A OD2 no hydrogen 2.748 N/A ARG 341.A N ASP 404.A OD2 no hydrogen 2.862 N/A SER 343.A N ARG 341.A O no hydrogen 2.718 N/A VAL 344.A N VAL 367.A O no hydrogen 3.159 N/A THR 345.A N LEU 402.A O no hydrogen 2.872 N/A THR 345.A OG1 GLU 366.A OE2 no hydrogen 2.124 N/A PHE 346.A N PHE 365.A O no hydrogen 2.871 N/A ASP 347.A N ARG 400.A O no hydrogen 2.776 N/A ASN 348.A N SER 364.A OG no hydrogen 2.784 N/A VAL 349.A N LEU 363.A O no hydrogen 2.908 N/A VAL 350.A N GLU 398.A O no hydrogen 2.940 N/A PHE 351.A N LEU 360.A O no hydrogen 3.167 N/A ARG 357.A N ASP 354.A O no hydrogen 2.919 N/A ILE 359.A N PHE 351.A O no hydrogen 2.842 N/A LEU 360.A N PHE 351.A O no hydrogen 2.999 N/A HIS 361.A N GLY 553.A O no hydrogen 2.989 N/A HIS 361.A ND1 GLU 358.A OE2 no hydrogen 2.885 N/A GLY 362.A N VAL 349.A O no hydrogen 2.899 N/A LEU 363.A N VAL 349.A O no hydrogen 2.914 N/A PHE 365.A N PHE 346.A O no hydrogen 2.978 N/A VAL 367.A N VAL 344.A O no hydrogen 2.746 N/A GLY 370.A N THR 530.A OG1 no hydrogen 2.823 N/A SER 371.A N ALA 368.A O no hydrogen 3.245 N/A SER 371.A OG ALA 368.A O no hydrogen 2.711 N/A ARG 372.A N ASP 545.A OD2 no hydrogen 2.802 N/A ARG 372.A NH1 ASP 543.A O no hydrogen 3.144 N/A ARG 372.A NH2 ASP 543.A OD1 no hydrogen 3.183 N/A ARG 372.A NH2 ASP 543.A OD2 no hydrogen 3.391 N/A VAL 373.A N THR 531.A O no hydrogen 2.860 N/A ALA 374.A N THR 546.A O no hydrogen 3.051 N/A ILE 375.A N SER 533.A O no hydrogen 2.855 N/A VAL 376.A N LEU 548.A O no hydrogen 2.970 N/A ALA 381.A N PRO 378.A O no hydrogen 3.128 N/A LYS 383.A NZ GLY 377.A O no hydrogen 3.236 N/A THR 385.A N GLY 382.A O no hydrogen 3.085 N/A THR 385.A OG1 GLY 382.A O no hydrogen 2.742 N/A ILE 386.A N LYS 383.A O no hydrogen 3.036 N/A LEU 389.A N THR 385.A O no hydrogen 2.879 N/A LEU 390.A N ILE 386.A O no hydrogen 2.878 N/A PHE 391.A N ALA 387.A O no hydrogen 2.971 N/A ARG 392.A N LEU 389.A O no hydrogen 2.839 N/A ARG 392.A NE ASP 395.A OD1 no hydrogen 2.866 N/A ARG 392.A NE ASP 395.A OD2 no hydrogen 3.426 N/A ARG 392.A NH1 ALA 329.A O no hydrogen 3.108 N/A ARG 392.A NH2 ALA 329.A O no hydrogen 3.070 N/A ARG 392.A NH2 ASP 395.A OD2 no hydrogen 2.871 N/A PHE 393.A N ARG 388.A O no hydrogen 2.867 N/A TRP 397.A N VAL 350.A O no hydrogen 2.812 N/A GLU 398.A N VAL 350.A O no hydrogen 3.156 N/A ARG 400.A N ASP 347.A O no hydrogen 2.951 N/A ARG 400.A NE ASP 347.A OD2 no hydrogen 2.916 N/A LEU 402.A N THR 345.A O no hydrogen 2.850 N/A ILE 403.A N GLN 406.A O no hydrogen 2.870 N/A ASP 404.A N SER 343.A O no hydrogen 2.975 N/A GLN 406.A N ILE 403.A O no hydrogen 3.006 N/A GLN 406.A NE2 VAL 338.A O no hydrogen 2.869 N/A GLN 406.A NE2 ASP 404.A O no hydrogen 2.990 N/A ILE 408.A N ILE 401.A O no hydrogen 2.808 N/A ALA 409.A N ASP 407.A OD1 no hydrogen 3.054 N/A HIS 410.A N ASP 407.A O no hydrogen 3.054 N/A THR 412.A N PRO 335.A O no hydrogen 3.022 N/A THR 412.A OG1 SER 415.A OG no hydrogen 2.710 N/A GLN 413.A N ASP 330.A OD1 no hydrogen 3.015 N/A GLN 413.A NE2 VAL 328.A O no hydrogen 3.466 N/A GLN 413.A NE2 ASP 330.A OD1 no hydrogen 2.953 N/A SER 415.A OG THR 412.A O no hydrogen 3.047 N/A SER 415.A OG THR 412.A OG1 no hydrogen 2.710 N/A LEU 416.A N THR 412.A O no hydrogen 3.213 N/A ARG 417.A N GLN 413.A O no hydrogen 2.950 N/A ARG 417.A NE PHE 391.A O no hydrogen 2.712 N/A ARG 417.A NH1 GLN 413.A OE1 no hydrogen 3.456 N/A ARG 417.A NH2 PHE 391.A O no hydrogen 2.940 N/A ARG 417.A NH2 ARG 392.A O no hydrogen 3.120 N/A ARG 417.A NH2 GLN 413.A OE1 no hydrogen 3.056 N/A ALA 418.A N THR 414.A O no hydrogen 2.939 N/A ALA 419.A N SER 415.A O no hydrogen 3.058 N/A ALA 419.A N LEU 416.A O no hydrogen 3.009 N/A LEU 420.A N ARG 417.A O no hydrogen 3.052 N/A GLY 421.A N ILE 501.A O no hydrogen 2.724 N/A VAL 423.A N LEU 503.A O no hydrogen 2.810 N/A SER 427.A OG GLN 487.A OE1 no hydrogen 3.020 N/A PHE 430.A N ASN 437.A OD1 no hydrogen 2.863 N/A ASP 432.A N PHE 430.A O no hydrogen 2.855 N/A THR 433.A N ASP 432.A OD1 no hydrogen 2.872 N/A ILE 434.A N THR 472.A O no hydrogen 2.843 N/A GLY 435.A N TYR 470.A O no hydrogen 2.964 N/A TYR 436.A N THR 433.A OG1 no hydrogen 2.900 N/A ASN 437.A N THR 433.A O no hydrogen 3.068 N/A ASN 437.A ND2 PHE 430.A O no hydrogen 3.342 N/A ASN 437.A ND2 THR 433.A O no hydrogen 2.880 N/A ILE 438.A N ILE 434.A O no hydrogen 2.942 N/A ALA 439.A N GLY 435.A O no hydrogen 2.875 N/A TYR 440.A N TYR 436.A O no hydrogen 2.932 N/A GLY 441.A N ILE 438.A O no hydrogen 3.303 N/A ARG 442.A N ALA 439.A O no hydrogen 2.898 N/A ARG 442.A NE GLU 449.A OE2 no hydrogen 2.948 N/A ARG 442.A NH2 GLU 449.A OE1 no hydrogen 2.918 N/A ARG 442.A NH2 GLU 449.A OE2 no hydrogen 2.710 N/A ALA 445.A N ARG 442.A O no hydrogen 3.169 N/A SER 446.A N GLU 449.A OE1 no hydrogen 2.754 N/A SER 446.A OG GLU 449.A OE1 no hydrogen 2.929 N/A GLU 449.A N SER 446.A OG no hydrogen 3.375 N/A VAL 450.A N SER 446.A O no hydrogen 3.167 N/A ASP 451.A N ARG 447.A O no hydrogen 2.895 N/A ALA 452.A N ALA 448.A O no hydrogen 2.885 N/A ALA 453.A N GLU 449.A O no hydrogen 2.895 N/A ALA 454.A N VAL 450.A O no hydrogen 2.888 N/A LYS 455.A N ASP 451.A O no hydrogen 2.943 N/A GLY 456.A N ALA 452.A O no hydrogen 2.912 N/A ALA 457.A N ALA 453.A O no hydrogen 2.830 N/A ALA 458.A N LYS 455.A O no hydrogen 2.950 N/A ILE 459.A N ALA 454.A O no hydrogen 2.863 N/A ILE 463.A N ILE 459.A O no hydrogen 2.954 N/A ALA 464.A N ALA 460.A O no hydrogen 2.951 N/A ARG 465.A N ASP 461.A O no hydrogen 3.141 N/A LEU 466.A N ILE 463.A O no hydrogen 2.922 N/A GLY 469.A N LEU 466.A O no hydrogen 3.127 N/A ASP 471.A N GLN 468.A O no hydrogen 3.001 N/A THR 472.A N GLY 469.A O no hydrogen 3.181 N/A THR 472.A OG1 GLY 469.A O no hydrogen 2.648 N/A VAL 474.A N ASP 432.A O no hydrogen 2.972 N/A GLY 478.A N GLY 475.A O no hydrogen 3.170 N/A LEU 479.A N GLU 473.A O no hydrogen 3.046 N/A SER 482.A N GLU 485.A OE1 no hydrogen 2.855 N/A GLU 485.A N SER 482.A OG no hydrogen 3.241 N/A LYS 486.A N SER 482.A O no hydrogen 3.034 N/A GLN 487.A N GLY 483.A O no hydrogen 2.990 N/A GLN 487.A NE2 PRO 424.A O no hydrogen 2.943 N/A GLN 487.A NE2 ALA 507.A O no hydrogen 2.900 N/A ARG 488.A N GLY 484.A O no hydrogen 2.907 N/A ARG 488.A NH1 ALA 457.A O no hydrogen 2.992 N/A ARG 488.A NH1 THR 522.A OG1 no hydrogen 2.887 N/A VAL 489.A N GLU 485.A O no hydrogen 2.943 N/A ALA 490.A N LYS 486.A O no hydrogen 2.977 N/A ILE 491.A N GLN 487.A O no hydrogen 2.929 N/A ALA 492.A N ARG 488.A O no hydrogen 2.892 N/A ARG 493.A N VAL 489.A O no hydrogen 2.860 N/A ARG 493.A NE ASN 437.A O no hydrogen 2.871 N/A ARG 493.A NH2 VAL 428.A O no hydrogen 3.187 N/A ARG 493.A NH2 ASN 437.A OD1 no hydrogen 3.090 N/A THR 494.A N ALA 490.A O no hydrogen 3.050 N/A THR 494.A OG1 ILE 491.A O no hydrogen 2.955 N/A LEU 495.A N ILE 491.A O no hydrogen 2.922 N/A VAL 496.A N ALA 492.A O no hydrogen 2.913 N/A LYS 497.A N ARG 493.A O no hydrogen 2.967 N/A LYS 497.A NZ ARG 417.A O no hydrogen 2.864 N/A LYS 497.A NZ LEU 420.A O no hydrogen 2.817 N/A ASN 498.A N THR 494.A O no hydrogen 2.804 N/A ILE 501.A N ALA 419.A O no hydrogen 3.259 N/A LEU 502.A N THR 530.A O no hydrogen 2.713 N/A LEU 503.A N GLY 421.A O no hydrogen 2.778 N/A PHE 504.A N ILE 532.A O no hydrogen 2.930 N/A ASP 505.A N VAL 423.A O no hydrogen 2.869 N/A GLU 506.A N ILE 534.A O no hydrogen 2.670 N/A THR 508.A OG1 GLU 516.A OE2 no hydrogen 2.882 N/A SER 509.A N GLU 506.A O no hydrogen 3.188 N/A SER 509.A OG GLU 506.A OE2 no hydrogen 2.711 N/A LEU 511.A N THR 508.A O no hydrogen 3.154 N/A THR 515.A N ASP 512.A OD1 no hydrogen 2.689 N/A THR 515.A OG1 ASP 512.A OD1 no hydrogen 2.993 N/A THR 515.A OG1 ASP 512.A OD2 no hydrogen 2.787 N/A GLU 516.A N ASP 512.A O no hydrogen 2.867 N/A GLN 517.A N THR 513.A O no hydrogen 2.961 N/A ASP 518.A N ARG 514.A O no hydrogen 2.875 N/A ILE 519.A N THR 515.A O no hydrogen 2.898 N/A LEU 520.A N GLU 516.A O no hydrogen 2.973 N/A SER 521.A OG ASP 518.A O no hydrogen 2.708 N/A ALA 524.A N SER 521.A O no hydrogen 2.954 N/A VAL 525.A N THR 522.A O no hydrogen 2.964 N/A ALA 526.A N ARG 523.A O no hydrogen 3.311 N/A ARG 529.A NE VAL 525.A O no hydrogen 2.707 N/A ARG 529.A NH1 ASN 498.A OD1 no hydrogen 2.925 N/A ARG 529.A NH1 PRO 499.A O no hydrogen 2.658 N/A ARG 529.A NH2 ASN 498.A OD1 no hydrogen 3.170 N/A THR 530.A N PRO 500.A O no hydrogen 3.045 N/A THR 530.A OG1 PRO 342.A O no hydrogen 2.844 N/A THR 531.A N SER 371.A O no hydrogen 3.093 N/A ILE 532.A N LEU 502.A O no hydrogen 2.935 N/A SER 533.A N VAL 373.A O no hydrogen 2.909 N/A ILE 534.A N PHE 504.A O no hydrogen 2.729 N/A HIS 536.A N GLU 506.A OE2 no hydrogen 3.172 N/A LEU 538.A N GLN 577.A OE1 no hydrogen 2.817 N/A THR 540.A N ARG 537.A O no hydrogen 3.261 N/A THR 540.A OG1 ARG 537.A O no hydrogen 2.836 N/A ILE 541.A N LEU 538.A O no hydrogen 2.892 N/A ALA 542.A N SER 539.A O no hydrogen 3.470 N/A SER 544.A N ILE 541.A O no hydrogen 3.063 N/A SER 544.A OG ILE 541.A O no hydrogen 2.551 N/A ASP 545.A N ARG 372.A O no hydrogen 2.797 N/A ILE 547.A N GLY 559.A O no hydrogen 2.862 N/A LEU 548.A N ALA 374.A O no hydrogen 2.762 N/A VAL 549.A N GLU 557.A O no hydrogen 2.750 N/A LEU 550.A N VAL 376.A O no hydrogen 2.737 N/A ASP 551.A N ARG 554.A O no hydrogen 2.886 N/A ARG 554.A N ASP 551.A O no hydrogen 2.972 N/A ARG 554.A NE HIS 361.A O no hydrogen 3.412 N/A ARG 554.A NH2 HIS 361.A O no hydrogen 3.522 N/A ALA 556.A N VAL 549.A O no hydrogen 2.851 N/A GLU 557.A N VAL 549.A O no hydrogen 3.239 N/A GLY 559.A N ILE 547.A O no hydrogen 2.976 N/A HIS 561.A ND1 TYR 571.A OH no hydrogen 2.729 N/A ASP 563.A N SER 560.A OG no hydrogen 3.166 N/A LEU 564.A N SER 560.A O no hydrogen 2.960 N/A LEU 565.A N HIS 561.A O no hydrogen 2.977 N/A ARG 566.A N LEU 562.A O no hydrogen 2.932 N/A ARG 567.A N ASP 563.A O no hydrogen 2.992 N/A LEU 570.A N GLU 557.A OE2 no hydrogen 2.538 N/A TYR 571.A N GLU 557.A OE1 no hydrogen 3.272 N/A TYR 571.A OH HIS 561.A ND1 no hydrogen 2.729 N/A GLU 573.A N GLY 569.A O no hydrogen 3.169 N/A ALA 575.A N ALA 572.A O no hydrogen 2.943 N/A ARG 576.A N GLU 573.A O no hydrogen 2.947 N/A ARG 576.A NH1 GLU 573.A OE2 no hydrogen 3.062 N/A ARG 576.A NH2 GLU 573.A OE2 no hydrogen 2.837 N/A GLN 577.A NE2 HIS 536.A O no hydrogen 2.730 N/A ALA 578.A N TRP 574.A O no hydrogen 2.921 N/A ALA 579.A N ALA 575.A O no hydrogen 2.962 N/A GLU 580.A N ARG 576.A O no hydrogen 2.896 N/A SER 581.A N GLN 577.A O no hydrogen 2.951 N/A SER 581.A OG GLN 577.A O no hydrogen 3.384 N/A SER 581.A OG ALA 578.A O no hydrogen 3.200 N/A ALA 582.A N ALA 578.A O no hydrogen 2.927 N/A GLU 583.A N ALA 579.A O no hydrogen 2.945 N/A VAL 584.A N GLU 580.A O no hydrogen 2.946 N/A SER 585.A N SER 581.A O no hydrogen 2.919 N/A GLU 586.A N ALA 582.A O no hydrogen 2.933 N/A GLU 586.A N GLU 583.A O no hydrogen 2.986 N/A ALA 587.A N VAL 584.A O no hydrogen 3.225 N/A ALA 588.A N GLU 586.A O no hydrogen 2.867 N/A