Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5lkt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N CYS 195.A O no hydrogen 3.047 N/A LYS 2.A NZ GLU 8.A OE1 no hydrogen 3.533 N/A LYS 2.A NZ GLU 8.A OE2 no hydrogen 3.037 N/A LYS 5.A N GLU 8.A OE1 no hydrogen 3.463 N/A LEU 9.A N LYS 5.A O no hydrogen 3.146 N/A ARG 10.A N PRO 6.A O no hydrogen 3.017 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.351 N/A GLN 11.A N GLU 7.A O no hydrogen 2.787 N/A ALA 12.A N GLU 8.A O no hydrogen 3.098 N/A LEU 13.A N LEU 9.A O no hydrogen 2.769 N/A MET 14.A N ARG 10.A O no hydrogen 2.882 N/A THR 16.A N LEU 13.A O no hydrogen 2.933 N/A THR 16.A OG1 LEU 13.A O no hydrogen 2.599 N/A THR 16.A OG1 TYR 72.A OH no hydrogen 2.651 N/A LEU 17.A N LEU 13.A O no hydrogen 3.235 N/A GLU 18.A N MET 14.A O no hydrogen 2.799 N/A ALA 19.A N PRO 15.A O no hydrogen 3.040 N/A LEU 20.A N LEU 17.A O no hydrogen 3.047 N/A TYR 21.A N LEU 17.A O no hydrogen 3.078 N/A ARG 22.A N GLU 18.A O no hydrogen 2.928 N/A GLN 23.A N LEU 20.A O no hydrogen 3.105 N/A GLN 23.A NE2 ALA 19.A O no hydrogen 3.222 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.820 N/A SER 27.A N GLN 23.A O no hydrogen 2.755 N/A SER 27.A OG LEU 20.A O no hydrogen 3.296 N/A SER 27.A OG TYR 21.A O no hydrogen 3.277 N/A LEU 28.A N PRO 25.A O no hydrogen 2.943 N/A PHE 30.A N SER 27.A O no hydrogen 2.866 N/A ARG 31.A N LEU 28.A O no hydrogen 3.257 N/A ARG 31.A NE SER 27.A OG no hydrogen 3.168 N/A LEU 38.A N ASP 35.A OD1 no hydrogen 3.460 N/A LEU 39.A N ASP 35.A O no hydrogen 2.926 N/A GLY 40.A N GLN 37.A O no hydrogen 3.001 N/A ILE 41.A N PRO 36.A O no hydrogen 2.629 N/A ASP 46.A N ASP 43.A O no hydrogen 3.118 N/A ILE 47.A N TYR 44.A O no hydrogen 3.157 N/A VAL 48.A N TYR 44.A O no hydrogen 2.752 N/A LYS 49.A NZ PHE 45.A O no hydrogen 3.453 N/A LEU 54.A N PHE 30.A O no hydrogen 2.922 N/A SER 55.A N ASP 53.A OD2 no hydrogen 2.853 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 2.701 N/A THR 56.A N ASP 53.A OD2 no hydrogen 3.451 N/A THR 56.A OG1 ASP 53.A OD1 no hydrogen 2.412 N/A ILE 57.A N ASP 53.A O no hydrogen 3.081 N/A LYS 58.A N LEU 54.A O no hydrogen 2.721 N/A LYS 58.A NZ ASP 62.A OD2 no hydrogen 3.156 N/A ARG 59.A N SER 55.A O no hydrogen 2.843 N/A LYS 60.A N THR 56.A O no hydrogen 3.040 N/A LYS 60.A NZ ASP 75.A OD2 no hydrogen 2.787 N/A LEU 61.A N ILE 57.A O no hydrogen 2.957 N/A ASP 62.A N LYS 58.A O no hydrogen 2.800 N/A THR 63.A N ARG 59.A O no hydrogen 2.934 N/A THR 63.A OG1 ARG 59.A O no hydrogen 2.685 N/A GLY 64.A N LEU 61.A O no hydrogen 3.442 N/A GLN 65.A N LYS 60.A O no hydrogen 2.800 N/A GLN 65.A NE2 THR 63.A OG1 no hydrogen 3.267 N/A TYR 66.A OH ASP 75.A OD2 no hydrogen 2.645 N/A GLN 67.A N GLN 71.A OE1 no hydrogen 2.903 N/A TRP 70.A N GLU 68.A OE1 no hydrogen 2.920 N/A TRP 70.A NE1 LYS 198.A O no hydrogen 2.989 N/A GLN 71.A N GLU 68.A O no hydrogen 3.165 N/A TYR 72.A OH THR 16.A OG1 no hydrogen 2.651 N/A VAL 73.A N PRO 69.A O no hydrogen 3.061 N/A ASP 74.A N TRP 70.A O no hydrogen 2.752 N/A ASP 75.A N GLN 71.A O no hydrogen 3.252 N/A ILE 76.A N TYR 72.A O no hydrogen 3.043 N/A TRP 77.A N VAL 73.A O no hydrogen 2.954 N/A LEU 78.A N ASP 74.A O no hydrogen 2.776 N/A MET 79.A N ASP 75.A O no hydrogen 2.924 N/A PHE 80.A N ILE 76.A O no hydrogen 3.075 N/A ASN 81.A N TRP 77.A O no hydrogen 2.896 N/A ASN 81.A ND2 TRP 77.A O no hydrogen 3.035 N/A ASN 82.A N LEU 78.A O no hydrogen 2.756 N/A ASN 82.A ND2 SER 50.A O no hydrogen 2.690 N/A ALA 83.A N MET 79.A O no hydrogen 3.218 N/A TRP 84.A N PHE 80.A O no hydrogen 2.918 N/A TRP 84.A NE1 SER 98.A OG no hydrogen 3.211 N/A LEU 85.A N ASN 81.A O no hydrogen 2.800 N/A TYR 86.A N ASN 82.A O no hydrogen 2.983 N/A TYR 86.A OH ASP 43.A OD1 no hydrogen 2.710 N/A TYR 86.A OH ASP 43.A OD2 no hydrogen 3.325 N/A ASN 87.A N ALA 83.A O no hydrogen 3.059 N/A SER 91.A N ARG 88.A O no hydrogen 2.912 N/A SER 91.A OG ARG 88.A O no hydrogen 2.506 N/A LYS 95.A NZ LYS 89.A O no hydrogen 3.110 N/A TYR 96.A N ARG 92.A O no hydrogen 3.110 N/A CYS 97.A N VAL 93.A O no hydrogen 2.845 N/A CYS 97.A SG PHE 80.A O no hydrogen 3.198 N/A SER 98.A N TYR 94.A O no hydrogen 2.979 N/A SER 98.A OG TYR 94.A O no hydrogen 3.332 N/A LYS 99.A N LYS 95.A O no hydrogen 3.027 N/A LYS 99.A NZ GLN 23.A OE1 no hydrogen 2.987 N/A LEU 100.A N TYR 96.A O no hydrogen 3.032 N/A SER 101.A N CYS 97.A O no hydrogen 2.941 N/A SER 101.A OG SER 98.A O no hydrogen 2.755 N/A GLU 102.A N SER 98.A O no hydrogen 3.222 N/A VAL 103.A N LYS 99.A O no hydrogen 3.121 N/A PHE 104.A N LEU 100.A O no hydrogen 2.793 N/A GLU 105.A N SER 101.A O no hydrogen 2.812 N/A GLN 106.A N GLU 102.A O no hydrogen 3.277 N/A GLU 107.A N VAL 103.A O no hydrogen 2.969 N/A ILE 108.A N PHE 104.A O no hydrogen 2.751 N/A MET 112.A N ILE 108.A O no hydrogen 2.928 N/A GLN 113.A N ASP 109.A O no hydrogen 3.121 N/A SER 114.A N PRO 110.A O no hydrogen 2.962 N/A SER 114.A OG PRO 110.A O no hydrogen 3.139 N/A LEU 115.A N VAL 111.A O no hydrogen 3.132 N/A LEU 115.A N MET 112.A O no hydrogen 3.084 N/A GLY 116.A N GLN 113.A O no hydrogen 3.059 N/A TYR 117.A N MET 112.A O no hydrogen 3.187 N/A CYS 118.A SG CYS 119.A O no hydrogen 4.044 N/A CYS 118.A SG HIS 200.A ND1 no hydrogen 3.559 N/A CYS 119.A SG HIS 200.A ND1 no hydrogen 3.215 N/A GLY 120.A N ASP 109.A OD1 no hydrogen 2.829 N/A LYS 122.A NZ GLU 124.A OE1 no hydrogen 3.321 N/A PHE 125.A N ASP 185.A O no hydrogen 2.758 N/A SER 126.A N GLU 529.A OE2 no hydrogen 2.853 N/A SER 126.A OG GLU 529.A OE1 no hydrogen 3.025 N/A SER 126.A OG GLU 529.A OE2 no hydrogen 3.285 N/A CYS 132.A SG HIS 150.A O no hydrogen 3.701 N/A TYR 133.A N HIS 150.A O no hydrogen 3.467 N/A ILE 136.A N LEU 130.A O no hydrogen 2.829 N/A ASP 139.A N ASN 181.A O no hydrogen 3.188 N/A ALA 140.A N PRO 137.A O no hydrogen 3.169 N/A TYR 142.A N ARG 179.A O no hydrogen 2.725 N/A TYR 143.A N PHE 151.A O no hydrogen 2.956 N/A SER 144.A N SER 177.A O no hydrogen 2.880 N/A TYR 145.A N TYR 149.A O no hydrogen 2.790 N/A ARG 148.A N TYR 145.A O no hydrogen 2.999 N/A TYR 149.A N TYR 145.A O no hydrogen 3.041 N/A PHE 151.A N TYR 143.A O no hydrogen 2.682 N/A CYS 155.A SG CYS 152.A O no hydrogen 3.668 N/A PHE 156.A N CYS 152.A O no hydrogen 2.977 N/A ASN 157.A ND2 GLU 153.A O no hydrogen 3.476 N/A GLU 158.A N LYS 154.A O no hydrogen 3.017 N/A VAL 164.A N ILE 171.A O no hydrogen 2.829 N/A LEU 166.A N THR 169.A O no hydrogen 3.099 N/A GLY 167.A N TYR 133.A OH no hydrogen 3.080 N/A THR 169.A N LEU 166.A O no hydrogen 3.183 N/A ILE 171.A N VAL 164.A O no hydrogen 2.866 N/A LYS 173.A N GLU 162.A O no hydrogen 2.968 N/A GLN 175.A N ASN 172.A O no hydrogen 3.019 N/A PHE 176.A N LYS 173.A O no hydrogen 3.077 N/A SER 177.A N SER 144.A O no hydrogen 2.720 N/A ARG 179.A N TYR 142.A O no hydrogen 2.897 N/A ARG 179.A NH1 SER 144.A OG no hydrogen 2.990 N/A ASN 181.A N ALA 140.A O no hydrogen 3.446 N/A GLU 187.A N LEU 123.A O no hydrogen 2.898 N/A VAL 190.A N MET 199.A O no hydrogen 2.819 N/A CYS 192.A N ARG 197.A O no hydrogen 2.819 N/A THR 193.A N PHE 215.A O no hydrogen 2.892 N/A THR 193.A OG1 PHE 215.A O no hydrogen 3.003 N/A GLY 196.A N CYS 192.A O no hydrogen 2.985 N/A ARG 197.A NE LEU 115.A O no hydrogen 2.721 N/A ARG 197.A NH2 LEU 115.A O no hydrogen 3.031 N/A LYS 198.A NZ GLU 68.A OE2 no hydrogen 3.302 N/A MET 199.A N VAL 190.A O no hydrogen 2.842 N/A GLN 201.A N LEU 188.A O no hydrogen 2.967 N/A CYS 203.A SG HIS 200.A ND1 no hydrogen 3.764 N/A VAL 204.A N HIS 200.A O no hydrogen 3.193 N/A HIS 206.A N GLN 201.A O no hydrogen 3.404 N/A ILE 209.A N HIS 207.A ND1 no hydrogen 3.250 N/A ILE 210.A N HIS 207.A O no hydrogen 3.161 N/A TRP 211.A N HIS 207.A O no hydrogen 3.031 N/A TRP 211.A NE1 LYS 229.A O no hydrogen 2.732 N/A GLY 214.A N TRP 211.A O no hydrogen 3.164 N/A LEU 221.A N CYS 217.A O no hydrogen 3.042 N/A LYS 222.A N ASP 218.A O no hydrogen 2.917 N/A LYS 223.A N GLY 219.A O no hydrogen 3.204 N/A SER 224.A OG CYS 220.A O no hydrogen 3.209 N/A SER 224.A OG LEU 221.A O no hydrogen 3.469 N/A ALA 225.A N LYS 222.A O no hydrogen 2.990 N/A ARG 226.A N LEU 221.A O no hydrogen 2.770 N/A ARG 226.A NE SER 224.A OG no hydrogen 2.565 N/A ARG 226.A NH1 GLU 194.A OE2 no hydrogen 2.769 N/A ARG 226.A NH2 GLU 194.A OE1 no hydrogen 3.019 N/A ARG 226.A NH2 GLU 194.A OE2 no hydrogen 3.187 N/A ARG 226.A NH2 CYS 220.A O no hydrogen 2.998 N/A ARG 226.A NH2 SER 224.A OG no hydrogen 2.768 N/A ARG 228.A NH1 VAL 204.A O no hydrogen 3.270 N/A ARG 228.A NH1 LEU 205.A O no hydrogen 3.043 N/A ARG 228.A NH2 VAL 204.A O no hydrogen 2.587 N/A PHE 233.A N ASN 231.A OD1 no hydrogen 2.786 N/A ALA 235.A N ASP 315.A OD2 no hydrogen 2.902 N/A ARG 237.A N SER 234.A OG no hydrogen 3.268 N/A ARG 237.A NE LYS 232.A O no hydrogen 2.849 N/A LEU 238.A N ALA 235.A O no hydrogen 3.091 N/A ARG 242.A N ASP 505.A OD1 no hydrogen 2.813 N/A LEU 243.A N ASP 505.A OD2 no hydrogen 3.031 N/A GLY 244.A N THR 241.A OG1 no hydrogen 3.060 N/A THR 245.A N THR 241.A O no hydrogen 2.983 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.944 N/A PHE 246.A N ARG 242.A O no hydrogen 2.938 N/A LEU 247.A N LEU 243.A O no hydrogen 2.986 N/A GLU 248.A N GLY 244.A O no hydrogen 2.920 N/A ASN 249.A N THR 245.A O no hydrogen 2.909 N/A ARG 250.A N PHE 246.A O no hydrogen 3.080 N/A ARG 250.A NH1 GLU 368.A OE1 no hydrogen 3.096 N/A ARG 250.A NH1 GLU 422.A OE1 no hydrogen 3.128 N/A ARG 250.A NH2 GLU 361.A OE1 no hydrogen 2.856 N/A ARG 250.A NH2 GLU 422.A OE1 no hydrogen 3.065 N/A ARG 250.A NH2 GLU 422.A OE2 no hydrogen 2.742 N/A VAL 251.A N LEU 247.A O no hydrogen 3.024 N/A ASN 252.A N GLU 248.A O no hydrogen 2.912 N/A ASN 252.A ND2 VAL 266.A O no hydrogen 2.809 N/A ASP 253.A N ASN 249.A O no hydrogen 2.942 N/A PHE 254.A N ARG 250.A O no hydrogen 3.075 N/A LEU 255.A N VAL 251.A O no hydrogen 2.921 N/A ARG 256.A N ASN 252.A O no hydrogen 2.873 N/A ARG 256.A NH2 ASP 253.A OD1 no hydrogen 2.875 N/A ARG 257.A N ASP 253.A O no hydrogen 3.040 N/A GLN 258.A N PHE 254.A O no hydrogen 3.023 N/A ASN 259.A N LEU 255.A O no hydrogen 2.946 N/A HIS 260.A ND1 PRO 261.A O no hydrogen 2.683 N/A SER 263.A OG HIS 260.A O no hydrogen 3.067 N/A VAL 266.A N ASN 252.A OD1 no hydrogen 2.800 N/A THR 267.A N PHE 308.A O no hydrogen 2.899 N/A VAL 268.A N GLU 248.A OE1 no hydrogen 2.994 N/A ARG 269.A N PHE 306.A O no hydrogen 2.962 N/A ARG 269.A NE LEU 238.A O no hydrogen 2.941 N/A ARG 269.A NH1 GLU 248.A OE1 no hydrogen 2.924 N/A ARG 269.A NH1 GLU 248.A OE2 no hydrogen 3.559 N/A ARG 269.A NH1 VAL 268.A O no hydrogen 2.894 N/A ARG 269.A NH2 LYS 236.A O no hydrogen 2.894 N/A VAL 271.A N ALA 304.A O no hydrogen 2.829 N/A HIS 272.A ND1 CYS 510.A O no hydrogen 2.785 N/A HIS 272.A NE2 SER 274.A OG no hydrogen 2.665 N/A ALA 273.A N ILE 508.A O no hydrogen 2.912 N/A SER 274.A N THR 302.A O no hydrogen 3.134 N/A SER 274.A OG HIS 272.A NE2 no hydrogen 2.665 N/A LYS 276.A N TYR 300.A O no hydrogen 2.817 N/A LYS 276.A NZ ASP 514.A OD1 no hydrogen 2.777 N/A VAL 278.A N PHE 298.A O no hydrogen 2.902 N/A VAL 280.A N GLU 296.A O no hydrogen 2.901 N/A LYS 281.A N TYR 448.A OH no hydrogen 2.850 N/A GLY 283.A N GLU 459.A OE1 no hydrogen 2.779 N/A MET 284.A N GLU 459.A OE2 no hydrogen 2.893 N/A LYS 285.A N LYS 281.A O no hydrogen 2.867 N/A LYS 285.A NZ ASP 290.A OD1 no hydrogen 2.890 N/A ALA 286.A N PRO 282.A O no hydrogen 2.932 N/A ARG 287.A N GLY 283.A O no hydrogen 3.027 N/A ARG 287.A NH1 ARG 287.A O no hydrogen 2.960 N/A PHE 288.A N MET 284.A O no hydrogen 2.899 N/A VAL 289.A N LYS 285.A O no hydrogen 2.921 N/A ASP 290.A N LYS 285.A O no hydrogen 3.005 N/A SER 291.A OG PHE 288.A O no hydrogen 3.233 N/A SER 291.A OG GLU 293.A OE2 no hydrogen 2.834 N/A GLY 292.A N VAL 289.A O no hydrogen 2.821 N/A GLU 293.A N PHE 288.A O no hydrogen 2.815 N/A PHE 298.A N VAL 278.A O no hydrogen 2.808 N/A TYR 300.A N LYS 276.A O no hydrogen 2.939 N/A ARG 301.A N GLU 325.A O no hydrogen 2.866 N/A ARG 301.A NE ASP 275.A OD1 no hydrogen 2.792 N/A ARG 301.A NH2 ASP 275.A OD1 no hydrogen 3.224 N/A ARG 301.A NH2 ASP 275.A OD2 no hydrogen 3.102 N/A THR 302.A N SER 274.A O no hydrogen 2.905 N/A THR 302.A OG1 VAL 323.A O no hydrogen 3.265 N/A LYS 303.A N VAL 323.A O no hydrogen 3.024 N/A LYS 303.A NZ ASP 503.A OD2 no hydrogen 2.776 N/A ALA 304.A N HIS 272.A O no hydrogen 3.087 N/A LEU 305.A N MET 321.A O no hydrogen 2.899 N/A PHE 306.A N ARG 269.A O no hydrogen 2.963 N/A ALA 307.A N PHE 319.A O no hydrogen 2.888 N/A PHE 308.A N THR 267.A O no hydrogen 2.796 N/A GLU 309.A N LEU 316.A O no hydrogen 2.882 N/A ILE 311.A N VAL 314.A O no hydrogen 2.805 N/A VAL 314.A N ILE 311.A O no hydrogen 3.095 N/A LEU 316.A N GLU 309.A O no hydrogen 2.767 N/A CYS 317.A N THR 540.A OG1 no hydrogen 2.891 N/A CYS 317.A SG ALA 307.A O no hydrogen 3.776 N/A CYS 317.A SG PHE 319.A O no hydrogen 4.019 N/A PHE 318.A N ALA 307.A O no hydrogen 3.025 N/A GLY 320.A N ASP 344.A O no hydrogen 2.951 N/A MET 321.A N LEU 305.A O no hydrogen 2.900 N/A HIS 322.A N TYR 342.A O no hydrogen 2.878 N/A VAL 323.A N LYS 303.A O no hydrogen 2.914 N/A GLN 324.A N TYR 339.A O no hydrogen 2.868 N/A GLN 324.A NE2 SER 341.A OG no hydrogen 2.920 N/A GLN 324.A NE2 GLU 450.A O no hydrogen 2.852 N/A GLU 325.A N ARG 301.A O no hydrogen 2.766 N/A TYR 326.A N ARG 337.A O no hydrogen 2.855 N/A TYR 326.A OH GLN 324.A OE1 no hydrogen 2.633 N/A CYS 330.A N GLY 327.A O no hydrogen 3.406 N/A CYS 330.A SG PRO 299.A O no hydrogen 3.775 N/A CYS 330.A SG PRO 331.A O no hydrogen 3.465 N/A ASN 334.A N PRO 331.A O no hydrogen 3.205 N/A ASN 334.A ND2 TYR 448.A O no hydrogen 2.834 N/A ARG 336.A N GLY 327.A O no hydrogen 3.192 N/A ARG 336.A NH1 GLY 374.A O no hydrogen 2.848 N/A ARG 336.A NH1 PRO 499.A O no hydrogen 3.425 N/A ARG 336.A NH2 PRO 499.A O no hydrogen 2.698 N/A ARG 337.A N TYR 326.A O no hydrogen 3.107 N/A ARG 337.A NE PRO 333.A O no hydrogen 2.726 N/A ARG 337.A NH1 HIS 379.A NE2 no hydrogen 3.001 N/A VAL 338.A N THR 377.A O no hydrogen 2.977 N/A TYR 339.A N GLN 324.A O no hydrogen 2.906 N/A TYR 339.A OH ASP 452.A OD1 no hydrogen 2.753 N/A ILE 340.A N HIS 379.A O no hydrogen 3.206 N/A SER 341.A N HIS 322.A O no hydrogen 2.865 N/A TYR 342.A N HIS 322.A O no hydrogen 3.359 N/A ASP 344.A N GLY 320.A O no hydrogen 2.938 N/A SER 345.A N ASP 344.A OD1 no hydrogen 2.894 N/A SER 345.A OG TYR 359.A OH no hydrogen 3.395 N/A VAL 346.A N PHE 318.A O no hydrogen 3.005 N/A HIS 347.A N GLN 400.A OE1 no hydrogen 2.896 N/A PHE 348.A N VAL 346.A O no hydrogen 2.797 N/A ARG 350.A N GLU 309.A OE1 no hydrogen 2.971 N/A ARG 350.A NH1 ASP 312.A OD1 no hydrogen 3.411 N/A LEU 354.A N PRO 351.A O no hydrogen 3.002 N/A ARG 355.A N LYS 352.A O no hydrogen 3.100 N/A VAL 358.A N LEU 354.A O no hydrogen 2.858 N/A TYR 359.A N ARG 355.A O no hydrogen 3.066 N/A HIS 360.A N THR 356.A O no hydrogen 2.970 N/A GLU 361.A N ALA 357.A O no hydrogen 2.945 N/A ILE 362.A N VAL 358.A O no hydrogen 3.056 N/A LEU 363.A N TYR 359.A O no hydrogen 3.064 N/A ILE 364.A N HIS 360.A O no hydrogen 2.778 N/A GLY 365.A N GLU 361.A O no hydrogen 2.891 N/A TYR 366.A N ILE 362.A O no hydrogen 3.024 N/A TYR 366.A OH GLU 325.A OE2 no hydrogen 2.665 N/A LEU 367.A N LEU 363.A O no hydrogen 3.000 N/A GLU 368.A N ILE 364.A O no hydrogen 2.879 N/A TYR 369.A N GLY 365.A O no hydrogen 2.914 N/A VAL 370.A N TYR 366.A O no hydrogen 3.062 N/A LYS 371.A N LEU 367.A O no hydrogen 2.992 N/A LYS 371.A NZ ILE 424.A O no hydrogen 3.084 N/A LYS 372.A N GLU 368.A O no hydrogen 3.081 N/A LEU 373.A N TYR 369.A O no hydrogen 3.226 N/A GLY 374.A N VAL 370.A O no hydrogen 3.185 N/A GLY 374.A N LYS 371.A O no hydrogen 3.048 N/A TYR 375.A N VAL 370.A O no hydrogen 3.004 N/A THR 376.A N ARG 336.A O no hydrogen 2.876 N/A THR 376.A OG1 ARG 336.A O no hydrogen 3.455 N/A THR 376.A OG1 THR 377.A OG1 no hydrogen 2.811 N/A THR 377.A OG1 THR 376.A OG1 no hydrogen 2.811 N/A GLY 378.A N ILE 487.A O no hydrogen 2.782 N/A ILE 380.A N PHE 485.A O no hydrogen 3.072 N/A ALA 382.A N VAL 483.A O no hydrogen 2.824 N/A CYS 383.A SG PRO 384.A O no hydrogen 3.698 N/A ASP 389.A N SER 386.A O no hydrogen 2.878 N/A ASP 390.A N ASP 389.A OD1 no hydrogen 2.855 N/A TYR 391.A OH CYS 383.A O no hydrogen 2.564 N/A ILE 392.A N ASP 344.A OD2 no hydrogen 2.930 N/A PHE 393.A N ASP 344.A OD2 no hydrogen 2.992 N/A CYS 395.A N ASP 390.A OD2 no hydrogen 2.927 N/A CYS 395.A SG SER 126.A OG no hydrogen 3.540 N/A HIS 396.A ND1 ASP 390.A OD1 no hydrogen 2.749 N/A HIS 396.A NE2 ASP 344.A OD1 no hydrogen 2.851 N/A GLN 400.A N PRO 397.A O no hydrogen 3.017 N/A GLN 400.A NE2 SER 345.A O no hydrogen 3.136 N/A LEU 408.A N LYS 404.A O no hydrogen 3.021 N/A GLN 409.A N PRO 405.A O no hydrogen 2.794 N/A GLU 410.A N LYS 406.A O no hydrogen 3.058 N/A TRP 411.A N ARG 407.A O no hydrogen 2.967 N/A PHE 412.A N LEU 408.A O no hydrogen 3.004 N/A LYS 413.A N GLN 409.A O no hydrogen 2.962 N/A LYS 414.A N GLU 410.A O no hydrogen 2.872 N/A MET 415.A N TRP 411.A O no hydrogen 3.067 N/A LEU 416.A N PHE 412.A O no hydrogen 2.865 N/A ASP 417.A N LYS 413.A O no hydrogen 2.816 N/A LYS 418.A N LYS 414.A O no hydrogen 3.169 N/A LYS 418.A NZ GLU 361.A OE2 no hydrogen 2.844 N/A LYS 418.A NZ GLU 422.A OE2 no hydrogen 3.079 N/A ALA 419.A N MET 415.A O no hydrogen 2.981 N/A VAL 420.A N LEU 416.A O no hydrogen 2.716 N/A SER 421.A N ASP 417.A O no hydrogen 2.957 N/A SER 421.A OG LYS 418.A O no hydrogen 2.819 N/A GLU 422.A N LYS 418.A O no hydrogen 2.940 N/A ARG 423.A N VAL 420.A O no hydrogen 2.880 N/A ILE 424.A N ALA 419.A O no hydrogen 3.021 N/A VAL 425.A N ALA 419.A O no hydrogen 3.285 N/A HIS 426.A N ARG 488.A O no hydrogen 2.813 N/A TYR 428.A OH ASP 417.A OD1 no hydrogen 2.514 N/A LYS 429.A N VAL 486.A O no hydrogen 3.051 N/A LYS 429.A NZ ASP 427.A OD2 no hydrogen 2.995 N/A LYS 429.A NZ GLU 437.A OE1 no hydrogen 3.478 N/A LYS 429.A NZ GLU 437.A OE2 no hydrogen 3.369 N/A ILE 431.A N PHE 484.A O no hydrogen 3.011 N/A LYS 433.A N ASP 430.A OD1 no hydrogen 2.750 N/A GLN 434.A N ASP 430.A O no hydrogen 2.902 N/A GLN 434.A NE2 GLN 434.A O no hydrogen 3.513 N/A GLN 434.A NE2 GLU 437.A OE2 no hydrogen 3.193 N/A GLN 434.A NE2 ASP 438.A OD1 no hydrogen 3.247 N/A GLN 434.A NE2 ASP 438.A OD2 no hydrogen 3.409 N/A ALA 435.A N ILE 431.A O no hydrogen 2.891 N/A THR 436.A N PHE 432.A O no hydrogen 3.031 N/A THR 436.A OG1 PHE 432.A O no hydrogen 2.932 N/A GLU 437.A N LYS 433.A O no hydrogen 2.889 N/A ASP 438.A N GLN 434.A O no hydrogen 2.856 N/A ARG 439.A N THR 436.A O no hydrogen 3.042 N/A LEU 440.A N ALA 435.A O no hydrogen 2.974 N/A THR 441.A N GLU 445.A OE1 no hydrogen 2.772 N/A THR 441.A OG1 GLU 445.A OE1 no hydrogen 3.325 N/A SER 442.A N GLU 445.A OE1 no hydrogen 2.780 N/A ALA 443.A N SER 470.A OG no hydrogen 2.975 N/A LYS 444.A N SER 442.A OG no hydrogen 3.320 N/A LYS 444.A NZ GLU 293.A OE1 no hydrogen 2.780 N/A GLU 445.A N SER 442.A O no hydrogen 3.030 N/A LEU 446.A N ALA 443.A O no hydrogen 3.185 N/A TYR 448.A N ASN 334.A OD1 no hydrogen 2.832 N/A GLU 450.A N GLN 324.A OE1 no hydrogen 3.075 N/A ASP 452.A N PHE 449.A O no hydrogen 3.409 N/A TRP 454.A N ASP 452.A OD2 no hydrogen 3.154 N/A VAL 457.A N PHE 453.A O no hydrogen 3.016 N/A LEU 458.A N TRP 454.A O no hydrogen 2.975 N/A GLU 459.A N PRO 455.A O no hydrogen 3.326 N/A GLU 460.A N ASN 456.A O no hydrogen 3.227 N/A SER 461.A N VAL 457.A O no hydrogen 2.818 N/A SER 461.A OG VAL 457.A O no hydrogen 2.968 N/A ILE 462.A N LEU 458.A O no hydrogen 2.989 N/A LYS 463.A N GLU 459.A O no hydrogen 3.124 N/A GLU 464.A N GLU 460.A O no hydrogen 2.882 N/A SER 465.A N SER 461.A O no hydrogen 3.051 N/A SER 465.A OG SER 461.A O no hydrogen 2.871 N/A SER 465.A OG ILE 462.A O no hydrogen 3.301 N/A SER 465.A OG SER 468.A O no hydrogen 2.979 N/A GLY 466.A N LYS 463.A O no hydrogen 3.147 N/A GLY 467.A N ILE 462.A O no hydrogen 2.874 N/A SER 468.A N SER 465.A OG no hydrogen 3.004 N/A SER 470.A N SER 468.A OG no hydrogen 3.172 N/A GLN 471.A N SER 468.A OG no hydrogen 3.030 N/A LEU 473.A N SER 470.A O no hydrogen 3.208 N/A TYR 474.A OH ALA 435.A O no hydrogen 3.277 N/A TYR 474.A OH LEU 440.A O no hydrogen 2.557 N/A THR 476.A N LYS 472.A O no hydrogen 2.718 N/A THR 476.A OG1 LYS 472.A O no hydrogen 2.951 N/A MET 477.A N LEU 473.A O no hydrogen 2.809 N/A GLU 478.A N TYR 474.A O no hydrogen 2.830 N/A LYS 479.A N ALA 475.A O no hydrogen 3.038 N/A HIS 480.A N THR 476.A O no hydrogen 3.215 N/A LYS 481.A N GLU 478.A O no hydrogen 3.290 N/A VAL 483.A N HIS 480.A O no hydrogen 3.297 N/A PHE 484.A N LYS 481.A O no hydrogen 3.139 N/A PHE 485.A N ILE 380.A O no hydrogen 2.868 N/A VAL 486.A N LYS 429.A O no hydrogen 2.942 N/A ILE 487.A N GLY 378.A O no hydrogen 2.761 N/A ARG 488.A N ASP 427.A O no hydrogen 2.930 N/A LEU 489.A N THR 376.A O no hydrogen 2.779 N/A ILE 490.A N THR 376.A O no hydrogen 3.046 N/A ALA 495.A N GLY 492.A O no hydrogen 3.128 N/A ASN 496.A N PRO 493.A O no hydrogen 3.170 N/A ILE 501.A N SER 328.A OG no hydrogen 2.865 N/A ASP 505.A N ASP 503.A OD1 no hydrogen 2.879 N/A ILE 508.A N ALA 273.A O no hydrogen 2.830 N/A MET 513.A N CYS 510.A O no hydrogen 3.073 N/A ASP 514.A N ASP 511.A O no hydrogen 3.308 N/A ARG 516.A N TYR 342.A OH no hydrogen 3.095 N/A ARG 516.A NE TYR 391.A O no hydrogen 2.681 N/A ARG 516.A NH1 ASP 390.A O no hydrogen 2.754 N/A LEU 520.A N ARG 516.A O no hydrogen 3.298 N/A THR 521.A N ASP 517.A O no hydrogen 2.906 N/A THR 521.A OG1 ASP 517.A O no hydrogen 2.943 N/A LEU 522.A N ALA 518.A O no hydrogen 2.956 N/A ALA 523.A N PHE 519.A O no hydrogen 2.980 N/A ARG 524.A N LEU 520.A O no hydrogen 2.958 N/A ASP 525.A N THR 521.A O no hydrogen 2.876 N/A LYS 526.A N LEU 522.A O no hydrogen 2.932 N/A HIS 527.A NE2 ASP 185.A OD2 no hydrogen 2.861 N/A LEU 528.A N ALA 523.A O no hydrogen 2.786 N/A PHE 530.A N HIS 394.A O no hydrogen 2.998 N/A PHE 530.A N CYS 395.A O no hydrogen 3.021 N/A SER 531.A OG GLU 529.A OE1 no hydrogen 2.689 N/A ARG 534.A NH1 GLU 187.A OE1 no hydrogen 3.536 N/A ARG 534.A NH1 GLU 187.A OE2 no hydrogen 2.730 N/A ARG 534.A NH2 GLU 187.A OE1 no hydrogen 2.774 N/A ARG 534.A NH2 GLU 187.A OE2 no hydrogen 3.568 N/A ARG 535.A N SER 532.A OG no hydrogen 3.107 N/A ARG 535.A NE GLU 187.A OE2 no hydrogen 3.109 N/A ARG 535.A NH1 GLU 124.A O no hydrogen 3.487 N/A ARG 535.A NH1 GLU 529.A OE1 no hydrogen 2.943 N/A ARG 535.A NH2 GLU 124.A O no hydrogen 2.733 N/A ARG 535.A NH2 GLU 187.A OE2 no hydrogen 2.857 N/A ALA 536.A N SER 532.A O no hydrogen 2.827 N/A GLN 537.A N LEU 533.A O no hydrogen 2.886 N/A GLN 537.A NE2 ILE 311.A O no hydrogen 3.186 N/A TRP 538.A N ARG 534.A O no hydrogen 3.068 N/A SER 539.A N ARG 535.A O no hydrogen 2.770 N/A SER 539.A OG GLU 529.A O no hydrogen 2.684 N/A SER 539.A OG ARG 535.A O no hydrogen 3.016 N/A THR 540.A N ALA 536.A O no hydrogen 2.767 N/A THR 540.A OG1 ALA 536.A O no hydrogen 2.880 N/A MET 541.A N GLN 537.A O no hydrogen 2.983 N/A CYS 542.A N TRP 538.A O no hydrogen 2.922 N/A CYS 542.A SG TRP 538.A O no hydrogen 3.541 N/A MET 543.A N SER 539.A O no hydrogen 2.852 N/A LEU 544.A N THR 540.A O no hydrogen 2.879 N/A VAL 545.A N MET 541.A O no hydrogen 3.121 N/A GLU 546.A N CYS 542.A O no hydrogen 2.990 N/A LEU 547.A N MET 543.A O no hydrogen 2.865 N/A HIS 548.A N LEU 544.A O no hydrogen 2.885 N/A HIS 548.A NE2 SER 234.A O no hydrogen 2.863 N/A THR 549.A N VAL 545.A O no hydrogen 2.904 N/A THR 549.A OG1 VAL 545.A O no hydrogen 2.768 N/A THR 549.A OG1 GLU 546.A O no hydrogen 3.497 N/A GLN 550.A N GLU 546.A O no hydrogen 3.002 N/A