Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hpo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N GLU 148.A OE2 no hydrogen 3.351 N/A THR 6.A N ARG 47.A O no hydrogen 2.854 N/A ALA 8.A N PHE 49.A O no hydrogen 2.926 N/A MET 15.A N THR 12.A O no hydrogen 3.050 N/A LEU 16.A N GLU 13.A O no hydrogen 2.990 N/A LYS 19.A NZ GLU 161.A OE1 no hydrogen 2.954 N/A LYS 19.A NZ GLU 161.A OE2 no hydrogen 3.286 N/A ALA 20.A N LYS 71.A O no hydrogen 2.975 N/A ALA 21.A N VAL 42.A O no hydrogen 2.777 N/A LEU 22.A N SER 73.A O no hydrogen 2.897 N/A VAL 23.A N ALA 40.A O no hydrogen 2.938 N/A GLU 25.A N GLY 38.A O no hydrogen 2.929 N/A ASN 30.A ND2 GLU 323.A OE2 no hydrogen 2.849 N/A TYR 31.A OH GLU 192.A OE1 no hydrogen 3.367 N/A TYR 31.A OH GLU 192.A OE2 no hydrogen 2.497 N/A HIS 32.A N ASN 30.A OD1 no hydrogen 3.041 N/A HIS 32.A NE2 THR 307.A O no hydrogen 2.949 N/A ALA 34.A N TYR 31.A O no hydrogen 3.151 N/A VAL 37.A N GLU 25.A O no hydrogen 2.880 N/A ILE 39.A N LEU 50.A O no hydrogen 3.055 N/A ALA 40.A N VAL 23.A O no hydrogen 2.985 N/A VAL 41.A N PHE 48.A O no hydrogen 2.875 N/A VAL 42.A N ALA 21.A O no hydrogen 2.897 N/A ASN 43.A N GLY 46.A O no hydrogen 3.019 N/A ASN 43.A ND2 GLU 14.A O no hydrogen 2.839 N/A HIS 45.A N ASN 43.A OD1 no hydrogen 2.718 N/A GLY 46.A N ASN 43.A O no hydrogen 3.227 N/A ARG 47.A NH1 ALA 4.A O no hydrogen 2.907 N/A PHE 48.A N VAL 41.A O no hydrogen 2.745 N/A PHE 49.A N THR 6.A O no hydrogen 2.820 N/A LEU 50.A N ILE 39.A O no hydrogen 2.808 N/A ARG 51.A NE GLU 143.A OE2 no hydrogen 2.699 N/A ARG 51.A NH1 ASP 9.A OD1 no hydrogen 2.919 N/A ARG 51.A NH2 GLU 143.A OE1 no hydrogen 2.867 N/A THR 54.A N ARG 51.A O no hydrogen 3.094 N/A ALA 55.A N ARG 51.A O no hydrogen 2.996 N/A LEU 56.A N PRO 52.A O no hydrogen 2.867 N/A ALA 57.A N THR 54.A O no hydrogen 3.210 N/A ASP 58.A N ALA 55.A O no hydrogen 3.055 N/A GLN 60.A N ASP 58.A OD2 no hydrogen 2.916 N/A PHE 61.A N ASP 58.A OD2 no hydrogen 3.150 N/A VAL 62.A N ASP 58.A O no hydrogen 2.834 N/A ALA 63.A N PRO 59.A O no hydrogen 2.902 N/A TRP 64.A N GLN 60.A O no hydrogen 2.913 N/A TRP 64.A NE1 ALA 17.A O no hydrogen 3.065 N/A LEU 65.A N PHE 61.A O no hydrogen 2.939 N/A GLY 66.A N VAL 62.A O no hydrogen 3.247 N/A ASP 67.A N TRP 64.A O no hydrogen 3.156 N/A THR 69.A N ASP 67.A OD1 no hydrogen 2.880 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.606 N/A THR 69.A OG1 ASP 67.A OD2 no hydrogen 3.151 N/A LYS 70.A N ASP 67.A O no hydrogen 2.909 N/A LYS 71.A N ASP 18.A O no hydrogen 2.952 N/A LYS 71.A NZ GLU 68.A O no hydrogen 2.638 N/A LYS 72.A N GLY 92.A O no hydrogen 2.851 N/A LYS 72.A NZ TRP 64.A O no hydrogen 2.782 N/A LYS 72.A NZ LEU 65.A O no hydrogen 3.155 N/A LYS 72.A NZ LYS 70.A O no hydrogen 2.727 N/A SER 73.A N ALA 20.A O no hydrogen 2.781 N/A SER 73.A OG GLU 161.A OE2 no hydrogen 2.499 N/A MET 74.A N PHE 95.A O no hydrogen 2.850 N/A ASP 76.A N ASP 96.A OD1 no hydrogen 2.909 N/A SER 77.A N ASP 96.A OD2 no hydrogen 2.828 N/A SER 77.A OG ASP 96.A OD2 no hydrogen 2.771 N/A LYS 78.A NZ TYR 31.A OH no hydrogen 3.003 N/A LYS 78.A NZ GLU 192.A OE1 no hydrogen 2.787 N/A LYS 78.A NZ PHE 309.A O no hydrogen 2.748 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 3.307 N/A ARG 79.A NE ASP 76.A OD2 no hydrogen 3.101 N/A ARG 79.A NH1 VAL 26.A O no hydrogen 3.132 N/A ARG 79.A NH1 GLU 28.A O no hydrogen 2.757 N/A ARG 79.A NH2 GLU 29.A O no hydrogen 2.996 N/A ALA 81.A N SER 77.A O no hydrogen 2.741 N/A VAL 82.A N LYS 78.A O no hydrogen 2.835 N/A ALA 83.A N ARG 79.A O no hydrogen 3.024 N/A LEU 84.A N ALA 80.A O no hydrogen 2.876 N/A LYS 85.A N ALA 81.A O no hydrogen 2.904 N/A TRP 86.A N VAL 82.A O no hydrogen 3.036 N/A TRP 86.A NE1 HIS 32.A ND1 no hydrogen 2.948 N/A LYS 87.A N LEU 84.A O no hydrogen 2.813 N/A GLY 88.A N LYS 85.A O no hydrogen 2.912 N/A ILE 89.A N LEU 84.A O no hydrogen 2.955 N/A SER 94.A N LYS 72.A O no hydrogen 2.935 N/A ASP 96.A N GLN 182.A OE1 no hydrogen 2.803 N/A LEU 97.A N MET 74.A O no hydrogen 2.756 N/A LEU 98.A N ASP 96.A OD1 no hydrogen 3.058 N/A ALA 100.A N ASP 96.A O no hydrogen 2.936 N/A ALA 101.A N LEU 97.A O no hydrogen 2.919 N/A TYR 102.A N LEU 98.A O no hydrogen 2.943 N/A TYR 102.A OH THR 314.A O no hydrogen 2.612 N/A LEU 103.A N LEU 99.A O no hydrogen 3.020 N/A LEU 104.A N ALA 100.A O no hydrogen 3.078 N/A ASP 105.A N ALA 101.A O no hydrogen 2.991 N/A ALA 107.A N ASP 105.A OD1 no hydrogen 2.887 N/A GLN 108.A N ASP 105.A O no hydrogen 3.195 N/A GLN 108.A NE2 ASP 105.A OD2 no hydrogen 3.447 N/A GLY 109.A N PRO 106.A O no hydrogen 3.388 N/A ALA 115.A N ASP 112.A OD2 no hydrogen 2.836 N/A ALA 116.A N ASP 112.A O no hydrogen 3.221 N/A ALA 117.A N VAL 113.A O no hydrogen 2.807 N/A LYS 118.A N ALA 114.A O no hydrogen 2.936 N/A MET 119.A N ALA 116.A O no hydrogen 3.056 N/A LYS 120.A N ALA 117.A O no hydrogen 2.994 N/A LYS 120.A NZ GLU 167.A OE2 no hydrogen 2.639 N/A GLN 121.A N LYS 118.A O no hydrogen 3.115 N/A GLN 121.A NE2 LYS 118.A O no hydrogen 3.558 N/A TYR 122.A N ALA 117.A O no hydrogen 2.996 N/A ASP 128.A N ASP 112.A OD1 no hydrogen 2.981 N/A ALA 130.A N PRO 127.A O no hydrogen 2.977 N/A VAL 131.A N ASP 128.A O no hydrogen 3.112 N/A TYR 132.A N ASP 128.A O no hydrogen 2.857 N/A TYR 132.A OH GLU 25.A OE2 no hydrogen 2.532 N/A GLY 133.A N GLU 129.A O no hydrogen 2.702 N/A LYS 137.A N LYS 134.A O no hydrogen 3.228 N/A ARG 138.A N GLY 135.A O no hydrogen 3.234 N/A ARG 138.A NH1 GLU 29.A OE2 no hydrogen 3.427 N/A ALA 139.A N TYR 132.A O no hydrogen 2.884 N/A LEU 146.A N ASP 142.A O no hydrogen 3.039 N/A ALA 147.A N GLU 143.A O no hydrogen 2.829 N/A GLU 148.A N PRO 144.A O no hydrogen 3.279 N/A HIS 149.A N VAL 145.A O no hydrogen 3.143 N/A HIS 149.A NE2 ASP 128.A OD1 no hydrogen 2.798 N/A LEU 150.A N LEU 146.A O no hydrogen 2.968 N/A VAL 151.A N ALA 147.A O no hydrogen 2.945 N/A ARG 152.A N GLU 148.A O no hydrogen 2.958 N/A ARG 152.A NE GLU 148.A OE2 no hydrogen 2.773 N/A ARG 152.A NH1 ALA 124.A O no hydrogen 3.051 N/A ARG 152.A NH2 ALA 1.A O no hydrogen 2.702 N/A ARG 152.A NH2 GLU 148.A OE2 no hydrogen 3.374 N/A LYS 153.A N HIS 149.A O no hydrogen 2.989 N/A LYS 153.A NZ GLU 25.A OE1 no hydrogen 2.930 N/A LYS 153.A NZ GLU 25.A OE2 no hydrogen 2.928 N/A LYS 153.A NZ ASP 128.A OD1 no hydrogen 3.134 N/A LYS 153.A NZ ASP 128.A OD2 no hydrogen 3.480 N/A ALA 154.A N LEU 150.A O no hydrogen 2.951 N/A ALA 155.A N VAL 151.A O no hydrogen 2.766 N/A ALA 156.A N ARG 152.A O no hydrogen 2.875 N/A ILE 157.A N LYS 153.A O no hydrogen 2.951 N/A TRP 158.A N ALA 154.A O no hydrogen 2.902 N/A GLU 159.A N ALA 155.A O no hydrogen 3.001 N/A LEU 160.A N ALA 156.A O no hydrogen 2.827 N/A LEU 160.A N ILE 157.A O no hydrogen 3.213 N/A GLU 161.A N ILE 157.A O no hydrogen 3.166 N/A PHE 164.A N LEU 160.A O no hydrogen 3.096 N/A LEU 165.A N GLU 161.A O no hydrogen 2.897 N/A ASP 166.A N ARG 162.A O no hydrogen 2.743 N/A GLU 167.A N PRO 163.A O no hydrogen 3.034 N/A LEU 168.A N PHE 164.A O no hydrogen 2.892 N/A ARG 169.A N LEU 165.A O no hydrogen 2.984 N/A ARG 170.A N ASP 166.A O no hydrogen 3.001 N/A ASN 171.A N GLU 167.A O no hydrogen 2.931 N/A ASN 171.A ND2 GLN 173.A OE1 no hydrogen 2.986 N/A GLU 172.A N ARG 169.A O no hydrogen 3.055 N/A GLN 173.A N LEU 168.A O no hydrogen 2.708 N/A GLN 173.A NE2 LEU 103.A O no hydrogen 3.133 N/A GLN 173.A NE2 HIS 471.A O no hydrogen 3.174 N/A ARG 175.A NH1 GLU 179.A OE1 no hydrogen 2.617 N/A LEU 177.A N GLN 173.A O no hydrogen 3.051 N/A VAL 178.A N ASP 174.A O no hydrogen 3.004 N/A GLU 179.A N ARG 175.A O no hydrogen 2.704 N/A GLU 181.A N LEU 176.A O no hydrogen 2.901 N/A GLN 182.A N LEU 177.A O no hydrogen 2.916 N/A GLN 182.A NE2 SER 94.A O no hydrogen 3.058 N/A LEU 184.A N LEU 180.A O no hydrogen 2.993 N/A SER 185.A N GLU 181.A O no hydrogen 2.873 N/A SER 186.A N GLN 182.A O no hydrogen 3.496 N/A ILE 187.A N PRO 183.A O no hydrogen 3.347 N/A LEU 188.A N LEU 184.A O no hydrogen 2.807 N/A ALA 189.A N SER 185.A O no hydrogen 2.876 N/A GLU 190.A N SER 186.A O no hydrogen 3.116 N/A MET 191.A N ILE 187.A O no hydrogen 3.021 N/A GLU 192.A N LEU 188.A O no hydrogen 2.898 N/A PHE 193.A N ALA 189.A O no hydrogen 3.026 N/A ALA 194.A N GLU 190.A O no hydrogen 2.883 N/A GLY 195.A N MET 191.A O no hydrogen 3.123 N/A VAL 196.A N VAL 305.A O no hydrogen 2.986 N/A VAL 198.A N LYS 303.A O no hydrogen 2.836 N/A ASP 199.A N ALA 342.A O no hydrogen 2.745 N/A ARG 202.A N ASP 199.A OD1 no hydrogen 3.115 N/A LEU 203.A N ASP 199.A O no hydrogen 3.180 N/A GLU 204.A N THR 200.A O no hydrogen 2.813 N/A GLN 205.A N LYS 201.A O no hydrogen 2.888 N/A GLN 205.A NE2 GLU 209.A OE2 no hydrogen 2.737 N/A MET 206.A N ARG 202.A O no hydrogen 2.863 N/A GLY 207.A N LEU 203.A O no hydrogen 2.795 N/A LYS 208.A N GLU 204.A O no hydrogen 2.875 N/A GLU 209.A N GLN 205.A O no hydrogen 3.061 N/A LEU 210.A N MET 206.A O no hydrogen 2.860 N/A ALA 211.A N GLY 207.A O no hydrogen 3.017 N/A GLU 212.A N LYS 208.A O no hydrogen 3.299 N/A GLN 213.A N GLU 209.A O no hydrogen 3.205 N/A GLN 213.A NE2 GLU 209.A O no hydrogen 3.283 N/A LEU 214.A N LEU 210.A O no hydrogen 2.806 N/A GLY 215.A N ALA 211.A O no hydrogen 3.193 N/A THR 216.A N GLU 212.A O no hydrogen 3.041 N/A THR 216.A OG1 GLU 212.A O no hydrogen 3.476 N/A VAL 217.A N GLN 213.A O no hydrogen 2.932 N/A GLU 218.A N LEU 214.A O no hydrogen 3.005 N/A GLN 219.A N GLY 215.A O no hydrogen 3.375 N/A ARG 220.A N THR 216.A O no hydrogen 3.222 N/A ARG 220.A NE GLU 272.A OE2 no hydrogen 3.392 N/A ARG 220.A NH2 GLU 272.A OE1 no hydrogen 3.264 N/A ARG 220.A NH2 GLU 272.A OE2 no hydrogen 2.708 N/A ILE 221.A N VAL 217.A O no hydrogen 2.960 N/A TYR 222.A N GLU 218.A O no hydrogen 3.046 N/A TYR 222.A OH GLU 218.A OE2 no hydrogen 2.643 N/A TYR 222.A OH PHE 229.A O no hydrogen 3.180 N/A GLU 223.A N GLN 219.A O no hydrogen 2.844 N/A LEU 224.A N ARG 220.A O no hydrogen 2.992 N/A ALA 225.A N ILE 221.A O no hydrogen 2.947 N/A GLY 226.A N GLU 223.A O no hydrogen 3.407 N/A GLN 227.A N TYR 222.A O no hydrogen 3.046 N/A ASN 230.A N GLN 236.A OE1 no hydrogen 2.768 N/A ASN 232.A N ASN 230.A OD1 no hydrogen 2.734 N/A SER 233.A N ASN 230.A O no hydrogen 3.106 N/A GLN 236.A N SER 233.A OG no hydrogen 3.065 N/A LEU 237.A N SER 233.A O no hydrogen 2.796 N/A GLY 238.A N PRO 234.A O no hydrogen 2.818 N/A VAL 239.A N LYS 235.A O no hydrogen 3.163 N/A ILE 240.A N GLN 236.A O no hydrogen 3.226 N/A LEU 241.A N LEU 237.A O no hydrogen 2.845 N/A PHE 242.A N GLY 238.A O no hydrogen 2.776 N/A GLU 243.A N VAL 239.A O no hydrogen 2.930 N/A LYS 244.A N VAL 239.A O no hydrogen 2.926 N/A LYS 244.A NZ ALA 225.A O no hydrogen 2.578 N/A LYS 244.A NZ GLN 227.A OE1 no hydrogen 2.877 N/A LEU 245.A N ILE 240.A O no hydrogen 2.941 N/A LEU 247.A N LEU 241.A O no hydrogen 2.904 N/A THR 253.A N GLY 256.A O no hydrogen 2.769 N/A THR 253.A OG1 GLY 256.A O no hydrogen 3.341 N/A GLY 256.A N THR 253.A OG1 no hydrogen 3.197 N/A TYR 257.A OH GLU 243.A OE2 no hydrogen 2.886 N/A SER 258.A N LYS 251.A O no hydrogen 3.093 N/A SER 260.A N SER 258.A OG no hydrogen 3.308 N/A SER 260.A OG SER 258.A OG no hydrogen 3.229 N/A SER 260.A OG ASP 262.A OD1 no hydrogen 2.822 N/A SER 260.A OG ASP 262.A OD2 no hydrogen 2.566 N/A LEU 264.A N SER 260.A O no hydrogen 2.938 N/A GLU 265.A N ALA 261.A O no hydrogen 2.761 N/A LYS 266.A N ASP 262.A O no hydrogen 3.214 N/A LYS 266.A NZ ASN 429.A OD1 no hydrogen 3.406 N/A LEU 267.A N VAL 263.A O no hydrogen 2.958 N/A TYR 270.A N LEU 267.A O no hydrogen 2.791 N/A HIS 271.A N ALA 268.A O no hydrogen 3.309 N/A ILE 273.A N HIS 271.A ND1 no hydrogen 2.879 N/A VAL 274.A N HIS 271.A O no hydrogen 3.362 N/A ASN 276.A ND2 GLU 272.A O no hydrogen 3.131 N/A ILE 277.A N ILE 273.A O no hydrogen 2.973 N/A LEU 278.A N VAL 274.A O no hydrogen 3.113 N/A HIS 279.A N GLU 275.A O no hydrogen 3.024 N/A TYR 280.A N ASN 276.A O no hydrogen 2.871 N/A ARG 281.A N ILE 277.A O no hydrogen 2.871 N/A ARG 281.A NH1 THR 259.A O no hydrogen 2.595 N/A ARG 281.A NH2 THR 259.A O no hydrogen 3.398 N/A ARG 281.A NH2 THR 259.A OG1 no hydrogen 2.835 N/A GLN 282.A N LEU 278.A O no hydrogen 2.862 N/A LEU 283.A N HIS 279.A O no hydrogen 2.868 N/A GLY 284.A N TYR 280.A O no hydrogen 2.892 N/A LYS 285.A N ARG 281.A O no hydrogen 3.077 N/A LEU 286.A N GLN 282.A O no hydrogen 3.342 N/A GLN 287.A N LEU 283.A O no hydrogen 2.968 N/A GLN 287.A NE2 GLY 207.A O no hydrogen 3.066 N/A SER 288.A N GLY 284.A O no hydrogen 2.905 N/A THR 289.A N LYS 285.A O no hydrogen 2.990 N/A TYR 290.A N LEU 286.A O no hydrogen 3.188 N/A TYR 290.A OH ASN 328.A O no hydrogen 2.701 N/A ILE 291.A N LEU 286.A O no hydrogen 2.776 N/A GLU 292.A N GLN 287.A O no hydrogen 2.840 N/A LEU 294.A N TYR 290.A O no hydrogen 2.896 N/A LEU 295.A N ILE 291.A O no hydrogen 2.995 N/A LYS 296.A N GLU 292.A O no hydrogen 2.952 N/A VAL 297.A N LEU 294.A O no hydrogen 3.131 N/A VAL 298.A N LEU 294.A O no hydrogen 3.094 N/A ARG 299.A N LYS 304.A O no hydrogen 2.814 N/A LYS 303.A N ARG 299.A O no hydrogen 2.772 N/A LYS 303.A NZ THR 200.A OG1 no hydrogen 3.154 N/A LYS 304.A N THR 302.A OG1 no hydrogen 3.274 N/A LYS 304.A NZ ALA 194.A O no hydrogen 2.817 N/A VAL 305.A N VAL 196.A O no hydrogen 2.905 N/A HIS 306.A ND1 GLU 192.A O no hydrogen 2.833 N/A THR 307.A OG1 SER 321.A OG no hydrogen 2.778 N/A THR 307.A OG1 THR 322.A O no hydrogen 3.062 N/A THR 307.A OG1 PRO 324.A O no hydrogen 2.667 N/A ILE 308.A N THR 322.A O no hydrogen 3.277 N/A PHE 309.A N GLU 192.A OE1 no hydrogen 2.798 N/A ASN 310.A N SER 320.A O no hydrogen 2.852 N/A GLN 311.A NE2 GLU 181.A O no hydrogen 2.850 N/A GLN 311.A NE2 GLU 181.A OE1 no hydrogen 2.844 N/A ALA 312.A N ASN 310.A OD1 no hydrogen 2.931 N/A THR 314.A OG1 ARG 318.A O no hydrogen 2.692 N/A GLN 315.A NE2 PRO 106.A O no hydrogen 3.060 N/A GLN 315.A NE2 LEU 313.A O no hydrogen 3.321 N/A THR 316.A OG1 GLN 500.A OE1 no hydrogen 2.556 N/A GLY 317.A N THR 314.A OG1 no hydrogen 3.244 N/A SER 320.A N ASN 310.A O no hydrogen 3.168 N/A SER 321.A OG THR 307.A OG1 no hydrogen 2.778 N/A SER 321.A OG PRO 324.A O no hydrogen 3.428 N/A THR 322.A N ILE 308.A O no hydrogen 3.055 N/A LEU 326.A N SER 321.A OG no hydrogen 2.963 N/A GLN 327.A N ASN 325.A OD1 no hydrogen 2.773 N/A GLN 327.A NE2 GLN 530.A O no hydrogen 2.880 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.689 N/A ARG 337.A N LEU 333.A O no hydrogen 2.943 N/A LYS 338.A N GLU 334.A O no hydrogen 3.141 N/A LYS 338.A NZ GLU 334.A OE2 no hydrogen 2.625 N/A ILE 339.A N GLY 336.A O no hydrogen 3.027 N/A ARG 340.A N ARG 337.A O no hydrogen 2.982 N/A ARG 340.A NE PRO 330.A O no hydrogen 2.889 N/A ARG 340.A NH2 ILE 329.A O no hydrogen 2.883 N/A GLN 341.A N LYS 338.A O no hydrogen 2.815 N/A ALA 342.A N ILE 339.A O no hydrogen 2.904 N/A PHE 343.A N ARG 340.A O no hydrogen 3.198 N/A VAL 344.A N LYS 197.A O no hydrogen 3.010 N/A SER 346.A N GLU 538.A OE1 no hydrogen 2.749 N/A SER 346.A OG GLU 538.A OE1 no hydrogen 3.236 N/A SER 346.A OG GLU 538.A OE2 no hydrogen 2.523 N/A TRP 350.A N GLU 347.A O no hydrogen 3.438 N/A LEU 351.A N ALA 539.A O no hydrogen 2.784 N/A ILE 352.A N GLY 572.A O no hydrogen 2.851 N/A PHE 353.A N LEU 537.A O no hydrogen 2.811 N/A ALA 354.A N HIS 570.A O no hydrogen 2.869 N/A ALA 355.A N LEU 535.A O no hydrogen 2.937 N/A ASP 356.A N ASP 568.A O no hydrogen 2.738 N/A TYR 357.A N ASP 533.A O no hydrogen 2.855 N/A TYR 357.A OH MET 555.A O no hydrogen 2.658 N/A SER 358.A N.A LYS 566.A O no hydrogen 3.116 N/A SER 358.A N.B ASP 356.A O no hydrogen 3.126 N/A SER 358.A N.B LYS 566.A O no hydrogen 3.119 N/A SER 358.A OG.B ASP 568.A OD2 no hydrogen 2.694 N/A GLN 359.A NE2.B ASP 383.A OD2 no hydrogen 3.237 N/A ILE 360.A N TYR 357.A O no hydrogen 3.238 N/A LEU 362.A N GLN 359.A O.A no hydrogen 3.080 N/A LEU 362.A N GLN 359.A O.B no hydrogen 3.107 N/A ARG 363.A N GLN 359.A O.A no hydrogen 3.041 N/A ARG 363.A N GLN 359.A O.B no hydrogen 3.107 N/A ARG 363.A NE SER 358.A O.A no hydrogen 3.054 N/A ARG 363.A NE SER 358.A O.B no hydrogen 3.098 N/A ARG 363.A NH1 PRO 564.A O no hydrogen 2.705 N/A VAL 364.A N ILE 360.A O no hydrogen 2.776 N/A LEU 365.A N GLU 361.A O no hydrogen 2.922 N/A ALA 366.A N LEU 362.A O no hydrogen 2.961 N/A HIS 367.A N ARG 363.A O no hydrogen 3.033 N/A ILE 368.A N VAL 364.A O no hydrogen 2.850 N/A ALA 369.A N LEU 365.A O no hydrogen 2.791 N/A ASN 373.A ND2.A ASP 391.A OD1 no hydrogen 3.518 N/A ASN 373.A ND2.A SER 445.A O no hydrogen 2.774 N/A ASN 373.A ND2.B SER 445.A O no hydrogen 2.803 N/A LEU 374.A N ASP 371.A OD1 no hydrogen 2.756 N/A MET 375.A N ASP 371.A O no hydrogen 2.866 N/A GLU 376.A N ASP 372.A O no hydrogen 2.917 N/A ALA 377.A N ASN 373.A O no hydrogen 2.913 N/A PHE 378.A N LEU 374.A O no hydrogen 3.103 N/A ARG 379.A N MET 375.A O no hydrogen 2.916 N/A ARG 379.A NE ARG 562.A O no hydrogen 3.114 N/A ARG 379.A NH2 ARG 562.A O no hydrogen 2.808 N/A ARG 380.A N GLU 376.A O no hydrogen 2.968 N/A ARG 380.A NE GLU 376.A OE2 no hydrogen 2.666 N/A ARG 380.A NH2 GLU 376.A OE2 no hydrogen 3.222 N/A ASP 381.A N PHE 378.A O no hydrogen 2.902 N/A LEU 382.A N ALA 377.A O no hydrogen 2.957 N/A HIS 385.A N ASP 383.A OD2 no hydrogen 3.093 N/A THR 386.A OG1 ASP 383.A OD1 no hydrogen 2.592 N/A LYS 387.A N ASP 383.A O no hydrogen 2.918 N/A LYS 387.A NZ ASP 391.A OD2 no hydrogen 3.290 N/A THR 388.A N ILE 384.A O no hydrogen 2.895 N/A THR 388.A OG1 ILE 384.A O no hydrogen 2.990 N/A THR 388.A OG1 ASN 412.A OD1 no hydrogen 3.188 N/A ALA 389.A N HIS 385.A O no hydrogen 2.832 N/A MET 390.A N THR 386.A O no hydrogen 2.817 N/A ASP 391.A N LYS 387.A O no hydrogen 2.980 N/A ILE 392.A N THR 388.A O no hydrogen 2.856 N/A PHE 393.A N ALA 389.A O no hydrogen 2.964 N/A VAL 395.A N MET 390.A O no hydrogen 3.169 N/A SER 396.A N GLU 399.A OE2 no hydrogen 2.676 N/A GLU 399.A N SER 396.A O no hydrogen 3.059 N/A VAL 400.A N GLU 397.A O no hydrogen 3.262 N/A MET 404.A N THR 401.A OG1 no hydrogen 3.063 N/A ARG 405.A N THR 401.A O no hydrogen 2.945 N/A ARG 405.A NE ASP 383.A OD1 no hydrogen 2.637 N/A ARG 405.A NE ASP 383.A OD2 no hydrogen 3.418 N/A ARG 405.A NH2 ASP 383.A OD1 no hydrogen 3.561 N/A ARG 405.A NH2 ASP 383.A OD2 no hydrogen 3.091 N/A ARG 406.A N PRO 402.A O no hydrogen 2.965 N/A GLN 407.A N ASN 403.A O no hydrogen 3.145 N/A ALA 408.A N MET 404.A O no hydrogen 2.888 N/A LYS 409.A N ARG 405.A O no hydrogen 2.944 N/A ALA 410.A N ARG 406.A O no hydrogen 3.208 N/A VAL 411.A N GLN 407.A O no hydrogen 3.004 N/A ASN 412.A N ALA 408.A O no hydrogen 2.741 N/A ASN 412.A ND2 ILE 384.A O no hydrogen 3.619 N/A ASN 412.A ND2 HIS 385.A ND1 no hydrogen 2.940 N/A ASN 412.A ND2 THR 388.A OG1 no hydrogen 2.977 N/A PHE 413.A N LYS 409.A O no hydrogen 2.741 N/A GLY 414.A N ALA 410.A O no hydrogen 2.860 N/A ILE 415.A N VAL 411.A O no hydrogen 2.984 N/A SER 417.A N GLY 414.A O no hydrogen 3.145 N/A SER 417.A OG PHE 413.A O no hydrogen 3.309 N/A GLY 418.A N ILE 415.A O no hydrogen 2.918 N/A ILE 419.A N GLY 414.A O no hydrogen 3.013 N/A TYR 422.A N ASP 421.A OD1 no hydrogen 2.572 N/A GLY 423.A N SER 420.A OG no hydrogen 3.125 N/A LEU 424.A N SER 420.A O no hydrogen 2.960 N/A ALA 425.A N ASP 421.A O no hydrogen 2.924 N/A GLN 426.A N TYR 422.A O no hydrogen 3.095 N/A ASN 427.A N GLY 423.A O no hydrogen 3.033 N/A LEU 428.A N LEU 424.A O no hydrogen 2.859 N/A ASN 429.A N GLN 426.A O no hydrogen 3.415 N/A ILE 430.A N ALA 425.A O no hydrogen 2.952 N/A SER 431.A N GLU 434.A OE1 no hydrogen 2.711 N/A GLU 434.A N SER 431.A OG no hydrogen 2.894 N/A ALA 435.A N SER 431.A O no hydrogen 3.037 N/A ALA 436.A N ARG 432.A O no hydrogen 2.920 N/A GLU 437.A N LYS 433.A O no hydrogen 3.232 N/A PHE 438.A N GLU 434.A O no hydrogen 3.325 N/A ILE 439.A N ALA 435.A O no hydrogen 2.992 N/A GLU 440.A N ALA 436.A O no hydrogen 3.048 N/A ARG 441.A N GLU 437.A O no hydrogen 2.970 N/A ARG 441.A NH1 ILE 392.A O no hydrogen 3.171 N/A TYR 442.A N PHE 438.A O no hydrogen 2.788 N/A PHE 443.A N ILE 439.A O no hydrogen 3.063 N/A GLU 444.A N GLU 440.A O no hydrogen 2.989 N/A SER 445.A N ARG 441.A O no hydrogen 2.966 N/A SER 445.A OG ARG 441.A O no hydrogen 2.879 N/A PHE 446.A N TYR 442.A O no hydrogen 2.807 N/A VAL 449.A N PHE 446.A O no hydrogen 2.967 N/A LYS 450.A N PHE 446.A O no hydrogen 3.439 N/A ARG 451.A N PRO 447.A O no hydrogen 2.947 N/A TYR 452.A N GLY 448.A O no hydrogen 2.902 N/A TYR 452.A OH MET 495.A O no hydrogen 2.664 N/A MET 453.A N VAL 449.A O no hydrogen 2.971 N/A GLU 454.A N LYS 450.A O no hydrogen 3.044 N/A ASN 455.A N ARG 451.A O no hydrogen 2.862 N/A ILE 456.A N TYR 452.A O no hydrogen 2.837 N/A VAL 457.A N MET 453.A O no hydrogen 3.484 N/A GLN 458.A N GLU 454.A O no hydrogen 3.077 N/A GLU 459.A N ASN 455.A O no hydrogen 2.818 N/A ALA 460.A N ILE 456.A O no hydrogen 2.920 N/A LYS 461.A N VAL 457.A O no hydrogen 3.037 N/A LYS 461.A NZ GLU 491.A OE1 no hydrogen 3.036 N/A GLN 462.A N GLN 458.A O no hydrogen 2.983 N/A LYS 463.A N GLU 459.A O no hydrogen 2.839 N/A LYS 463.A NZ GLN 462.A OE1 no hydrogen 2.884 N/A GLY 464.A N ALA 460.A O no hydrogen 2.899 N/A VAL 466.A N ARG 474.A O no hydrogen 2.968 N/A THR 468.A N ARG 472.A O no hydrogen 3.023 N/A THR 468.A OG1 ASP 505.A OD1 no hydrogen 2.529 N/A LEU 469.A N SER 502.A OG no hydrogen 2.846 N/A LEU 470.A N ASP 505.A OD1 no hydrogen 3.083 N/A HIS 471.A N THR 468.A O no hydrogen 2.941 N/A ARG 472.A N THR 468.A OG1 no hydrogen 3.006 N/A ARG 472.A NE ASP 505.A OD2 no hydrogen 2.911 N/A ARG 472.A NH1 GLU 181.A OE2 no hydrogen 2.890 N/A ARG 472.A NH2 GLU 181.A OE2 no hydrogen 2.781 N/A ARG 472.A NH2 ASP 505.A OD2 no hydrogen 2.816 N/A ARG 473.A NH1 TYR 475.A OH no hydrogen 2.847 N/A ARG 474.A N VAL 466.A O no hydrogen 2.945 N/A ARG 474.A NH1 THR 497.A OG1 no hydrogen 2.905 N/A LEU 476.A N GLY 464.A O no hydrogen 2.994 N/A ILE 479.A N LEU 476.A O no hydrogen 3.003 N/A THR 480.A N PRO 477.A O no hydrogen 3.357 N/A THR 480.A OG1 PRO 477.A O no hydrogen 3.105 N/A SER 481.A N ASP 478.A O no hydrogen 2.955 N/A SER 481.A OG ASN 483.A O no hydrogen 3.519 N/A ASN 483.A N SER 481.A OG no hydrogen 2.931 N/A VAL 486.A N ASN 483.A OD1 no hydrogen 3.122 N/A ARG 487.A N ASN 483.A O no hydrogen 2.873 N/A ARG 487.A NE SER 481.A O no hydrogen 2.899 N/A ARG 487.A NH2 SER 481.A O no hydrogen 2.989 N/A SER 488.A N PHE 484.A O no hydrogen 2.754 N/A SER 488.A OG PHE 484.A O no hydrogen 2.831 N/A PHE 489.A N ASN 485.A O no hydrogen 3.191 N/A ALA 490.A N VAL 486.A O no hydrogen 3.419 N/A GLU 491.A N ARG 487.A O no hydrogen 2.994 N/A ARG 492.A N SER 488.A O no hydrogen 3.141 N/A MET 493.A N PHE 489.A O no hydrogen 3.045 N/A ALA 494.A N ALA 490.A O no hydrogen 2.815 N/A MET 495.A N GLU 491.A O no hydrogen 3.090 N/A ASN 496.A N ARG 492.A O no hydrogen 2.904 N/A ASN 496.A ND2 SER 417.A OG no hydrogen 3.427 N/A THR 497.A N MET 493.A O no hydrogen 2.876 N/A THR 497.A OG1 MET 493.A O no hydrogen 3.021 N/A ILE 499.A N ASN 496.A O no hydrogen 2.879 N/A GLN 500.A N ASN 496.A O no hydrogen 2.955 N/A GLY 501.A N THR 497.A O no hydrogen 2.666 N/A SER 502.A N PRO 498.A O no hydrogen 3.162 N/A SER 502.A OG PRO 498.A O no hydrogen 2.678 N/A ALA 503.A N ILE 499.A O no hydrogen 3.108 N/A ALA 504.A N GLN 500.A O no hydrogen 3.050 N/A ASP 505.A N GLY 501.A O no hydrogen 2.929 N/A ILE 506.A N SER 502.A O no hydrogen 2.982 N/A ILE 507.A N ALA 503.A O no hydrogen 3.232 N/A LYS 508.A N ALA 504.A O no hydrogen 3.093 N/A LYS 508.A NZ GLU 181.A OE1 no hydrogen 3.265 N/A LYS 508.A NZ GLU 181.A OE2 no hydrogen 3.055 N/A LYS 508.A NZ GLY 317.A O no hydrogen 2.711 N/A LYS 509.A N ASP 505.A O no hydrogen 2.962 N/A LYS 509.A NZ ASP 513.A OD2 no hydrogen 2.862 N/A LYS 509.A NZ ALA 558.A O no hydrogen 2.803 N/A ALA 510.A N ILE 506.A O no hydrogen 2.899 N/A MET 511.A N ILE 507.A O no hydrogen 2.917 N/A ILE 512.A N LYS 508.A O no hydrogen 3.241 N/A ASP 513.A N LYS 509.A O no hydrogen 2.894 N/A LEU 514.A N ALA 510.A O no hydrogen 2.691 N/A ASN 515.A N MET 511.A O no hydrogen 3.000 N/A ALA 516.A N ILE 512.A O no hydrogen 3.209 N/A ARG 517.A N ASP 513.A O no hydrogen 3.120 N/A LEU 518.A N LEU 514.A O no hydrogen 2.872 N/A LYS 519.A N ASN 515.A O no hydrogen 3.033 N/A GLU 520.A N ALA 516.A O no hydrogen 2.935 N/A GLU 521.A N ARG 517.A O no hydrogen 2.916 N/A ARG 522.A N LYS 519.A O no hydrogen 2.985 N/A ARG 522.A NH1 LYS 519.A O no hydrogen 3.052 N/A LEU 523.A N LEU 518.A O no hydrogen 3.048 N/A GLN 524.A N GLU 543.A OE1 no hydrogen 2.760 N/A ALA 525.A N GLU 543.A OE2 no hydrogen 2.907 N/A HIS 526.A N GLU 538.A O no hydrogen 3.076 N/A HIS 526.A NE2 GLU 538.A OE2 no hydrogen 2.786 N/A LEU 528.A N ILE 536.A O no hydrogen 2.753 N/A LEU 529.A N ILE 536.A O no hydrogen 3.112 N/A VAL 531.A N GLU 534.A O no hydrogen 2.917 N/A HIS 532.A N GLN 530.A OE1 no hydrogen 2.845 N/A ASP 533.A N VAL 531.A O no hydrogen 2.784 N/A LEU 535.A N ALA 355.A O no hydrogen 2.900 N/A ILE 536.A N LEU 529.A O no hydrogen 2.886 N/A LEU 537.A N PHE 353.A O no hydrogen 2.749 N/A GLU 538.A N HIS 526.A O no hydrogen 3.108 N/A ALA 539.A N LEU 351.A O no hydrogen 3.032 N/A LYS 541.A N ASP 349.A O no hydrogen 2.872 N/A LYS 541.A NZ ASP 349.A OD1 no hydrogen 3.506 N/A GLU 542.A N GLU 542.A OE1 no hydrogen 2.783 N/A GLU 543.A N PRO 540.A O no hydrogen 2.897 N/A MET 544.A N LYS 541.A O no hydrogen 3.281 N/A ARG 546.A NH2 GLU 521.A O no hydrogen 3.250 N/A ARG 546.A NH2 GLU 521.A OE1 no hydrogen 3.017 N/A LEU 547.A N GLU 543.A O no hydrogen 2.869 N/A CYS 548.A N MET 544.A O no hydrogen 2.919 N/A CYS 548.A SG MET 544.A O no hydrogen 3.278 N/A ARG 549.A N ARG 546.A O no hydrogen 3.106 N/A LEU 550.A N ARG 546.A O no hydrogen 2.886 N/A VAL 551.A N LEU 547.A O no hydrogen 2.870 N/A GLU 553.A N ARG 549.A O no hydrogen 3.343 N/A VAL 554.A N LEU 550.A O no hydrogen 2.988 N/A MET 555.A N VAL 551.A O no hydrogen 2.985 N/A GLU 556.A N PRO 552.A O no hydrogen 2.755 N/A GLN 557.A N GLU 553.A O no hydrogen 2.980 N/A ALA 558.A N MET 555.A O no hydrogen 3.420 N/A ARG 562.A N HIS 367.A ND1 no hydrogen 2.948 N/A ARG 562.A NH1 HIS 367.A O no hydrogen 2.815 N/A LYS 566.A NZ ASP 381.A OD1 no hydrogen 3.434 N/A VAL 567.A N GLU 556.A OE1 no hydrogen 3.336 N/A ASP 568.A N ASP 356.A O no hydrogen 2.913 N/A HIS 570.A N ALA 354.A O no hydrogen 2.963 N/A GLY 572.A N ILE 352.A O no hydrogen 2.902 N/A THR 574.A OG1 ASP 577.A OD1 no hydrogen 2.969 N/A TRP 575.A N PHE 343.A O no hydrogen 3.014 N/A TYR 576.A N ARG 340.A O no hydrogen 3.242 N/A TYR 576.A OH GLU 334.A OE2 no hydrogen 2.639 N/A ASP 577.A N THR 574.A OG1 no hydrogen 3.359 N/A ALA 578.A N THR 574.A O no hydrogen 3.211 N/A ALA 578.A N TRP 575.A O no hydrogen 3.172 N/A LYS 579.A N ASP 577.A O no hydrogen 2.652 N/A