Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u87_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TRP 1.A O no hydrogen 3.108 N/A THR 6.A N LEU 2.A O no hydrogen 2.907 N/A GLN 7.A N ARG 3.A O no hydrogen 2.900 N/A GLN 8.A N TRP 4.A O no hydrogen 2.898 N/A PHE 9.A N VAL 5.A O no hydrogen 2.914 N/A LYS 10.A N THR 6.A O no hydrogen 2.890 N/A THR 11.A N GLN 7.A O no hydrogen 2.910 N/A ILE 12.A N PHE 9.A O no hydrogen 3.218 N/A PHE 19.A N SER 15.A O no hydrogen 2.958 N/A LYS 20.A N LEU 16.A O no hydrogen 2.898 N/A ALA 21.A N GLN 17.A O no hydrogen 2.909 N/A ALA 22.A N GLU 18.A O no hydrogen 2.898 N/A LEU 23.A N PHE 19.A O no hydrogen 2.973 N/A GLU 29.A N SER 25.A O no hydrogen 2.913 N/A ARG 30.A N PHE 26.A O no hydrogen 2.902 N/A PHE 31.A N PHE 27.A O no hydrogen 2.893 N/A PHE 32.A N ALA 28.A O no hydrogen 2.887 N/A ALA 33.A N GLU 29.A O no hydrogen 2.906 N/A LEU 34.A N ARG 30.A O no hydrogen 2.899 N/A PHE 35.A N PHE 31.A O no hydrogen 2.883 N/A ARG 39.A N ASP 36.A O no hydrogen 2.873 N/A ILE 43.A N ILE 14.A O no hydrogen 2.774 N/A LEU 48.A N THR 44.A O no hydrogen 2.950 N/A GLN 49.A N LEU 45.A O no hydrogen 2.905 N/A GLU 50.A N GLN 46.A O no hydrogen 2.898 N/A ALA 51.A N GLU 47.A O no hydrogen 2.902 N/A LEU 52.A N LEU 48.A O no hydrogen 2.912 N/A THR 53.A N GLN 49.A O no hydrogen 2.899 N/A LEU 54.A N GLU 50.A O no hydrogen 2.900 N/A LEU 55.A N ALA 51.A O no hydrogen 2.909 N/A ILE 56.A N LEU 52.A O no hydrogen 2.904 N/A LYS 63.A N SER 59.A O no hydrogen 3.203 N/A LEU 64.A N PRO 60.A O no hydrogen 2.901 N/A LYS 65.A N MET 61.A O no hydrogen 2.881 N/A PHE 66.A N ASP 62.A O no hydrogen 2.922 N/A LEU 67.A N LYS 63.A O no hydrogen 2.889 N/A PHE 68.A N LEU 64.A O no hydrogen 2.882 N/A GLN 69.A N LYS 65.A O no hydrogen 2.900 N/A VAL 70.A N PHE 66.A O no hydrogen 2.923 N/A TYR 71.A N LEU 67.A O no hydrogen 2.871 N/A ASP 72.A N PHE 68.A O no hydrogen 3.015 N/A LEU 79.A N ASP 75.A O no hydrogen 2.773 N/A ARG 80.A N PRO 76.A O no hydrogen 2.883 N/A THR 81.A N ASP 77.A O no hydrogen 2.919 N/A VAL 82.A N GLU 78.A O no hydrogen 2.906 N/A LEU 83.A N LEU 79.A O no hydrogen 2.875 N/A GLN 84.A N ARG 80.A O no hydrogen 2.874 N/A SER 85.A N THR 81.A O no hydrogen 2.930 N/A CYS 86.A N VAL 82.A O no hydrogen 2.890 N/A LEU 87.A N LEU 83.A O no hydrogen 2.869 N/A ARG 88.A N GLN 84.A O no hydrogen 2.897 N/A GLU 89.A N SER 85.A O no hydrogen 2.920 N/A SER 90.A N CYS 86.A O no hydrogen 2.403 N/A ILE 92.A N LEU 87.A O no hydrogen 2.886 N/A LEU 99.A N PRO 95.A O no hydrogen 2.862 N/A ASP 100.A N ASP 96.A O no hydrogen 2.898 N/A GLN 101.A N GLU 97.A O no hydrogen 2.903 N/A LEU 102.A N LYS 98.A O no hydrogen 2.892 N/A THR 103.A N LEU 99.A O no hydrogen 2.891 N/A LEU 104.A N ASP 100.A O no hydrogen 2.905 N/A ALA 105.A N GLN 101.A O no hydrogen 2.902 N/A LEU 106.A N LEU 102.A O no hydrogen 2.895 N/A PHE 107.A N THR 103.A O no hydrogen 2.892 N/A GLU 108.A N LEU 104.A O no hydrogen 2.910 N/A SER 109.A N ALA 105.A O no hydrogen 2.912 N/A ALA 110.A N LEU 106.A O no hydrogen 2.887 N/A ASP 111.A N PHE 107.A O no hydrogen 3.187 N/A LEU 120.A N THR 116.A O no hydrogen 2.407 N/A ARG 121.A N PHE 117.A O no hydrogen 2.903 N/A ASP 122.A N GLU 118.A O no hydrogen 2.910 N/A GLU 123.A N GLU 119.A O no hydrogen 2.894 N/A LEU 124.A N LEU 120.A O no hydrogen 2.888 N/A GLN 125.A N ARG 121.A O no hydrogen 2.910 N/A ARG 126.A N GLU 123.A O no hydrogen 2.892 N/A PHE 127.A N LEU 124.A O no hydrogen 2.930 N/A ASN 133.A N GLY 129.A O no hydrogen 3.039 N/A LEU 134.A N MET 131.A O no hydrogen 3.374 N/A THR 135.A N ASN 539.A O no hydrogen 3.100 N/A ALA 139.A N ILE 136.A O no hydrogen 3.196 N/A HIS 140.A N SER 137.A O no hydrogen 3.256 N/A TRP 141.A NE1 ALA 22.A O no hydrogen 2.557 N/A LEU 142.A N ALA 139.A O no hydrogen 3.032 N/A HIS 148.A N ARG 144.A O no hydrogen 2.921 N/A HIS 148.A N ALA 145.A O no hydrogen 3.238 N/A ASN 149.A N TYR 146.A O no hydrogen 3.177 N/A HIS 150.A N TYR 146.A O no hydrogen 2.881 N/A SER 152.A OG VAL 219.A O no hydrogen 2.530 N/A LEU 154.A N HIS 150.A O no hydrogen 2.929 N/A LEU 157.A N GLN 153.A O no hydrogen 2.950 N/A ALA 158.A N LEU 154.A O no hydrogen 2.848 N/A THR 159.A N PHE 155.A O no hydrogen 2.945 N/A TYR 160.A N CYS 156.A O no hydrogen 2.922 N/A TYR 160.A OH ASP 195.A OD2 no hydrogen 2.597 N/A ALA 161.A N LEU 157.A O no hydrogen 2.931 N/A GLY 162.A N ALA 158.A O no hydrogen 2.880 N/A LEU 163.A N THR 159.A O no hydrogen 2.882 N/A HIS 164.A N TYR 160.A O no hydrogen 2.977 N/A HIS 164.A N ALA 161.A O no hydrogen 3.298 N/A HIS 164.A NE2 ASP 195.A OD2 no hydrogen 2.733 N/A VAL 165.A N ALA 161.A O no hydrogen 2.913 N/A LEU 166.A N GLY 162.A O no hydrogen 2.891 N/A PHE 168.A N HIS 164.A O no hydrogen 2.933 N/A GLY 169.A N VAL 165.A O no hydrogen 2.926 N/A LEU 170.A N LEU 166.A O no hydrogen 2.872 N/A ALA 171.A N LEU 167.A O no hydrogen 2.938 N/A ALA 172.A N PHE 168.A O no hydrogen 2.888 N/A SER 173.A N GLY 169.A O no hydrogen 2.910 N/A SER 173.A OG LEU 170.A O no hydrogen 3.350 N/A ALA 174.A N LEU 170.A O no hydrogen 3.411 N/A HIS 175.A N ALA 172.A O no hydrogen 3.253 N/A LEU 178.A N ASP 177.A OD1 no hydrogen 2.866 N/A ALA 180.A N LEU 178.A O no hydrogen 3.208 N/A SER 181.A OG ALA 246.A O no hydrogen 3.394 N/A ALA 185.A N SER 181.A O no hydrogen 3.247 N/A LYS 186.A N VAL 182.A O no hydrogen 2.871 N/A GLY 187.A N MET 183.A O no hydrogen 2.914 N/A CYS 188.A N VAL 184.A O no hydrogen 2.891 N/A CYS 188.A SG VAL 184.A O no hydrogen 3.110 N/A GLY 189.A N ALA 185.A O no hydrogen 2.875 N/A GLN 190.A N LYS 186.A O no hydrogen 2.943 N/A CYS 191.A N GLY 187.A O no hydrogen 2.960 N/A CYS 191.A SG HIS 164.A O no hydrogen 3.830 N/A CYS 191.A SG GLY 187.A O no hydrogen 3.243 N/A LEU 192.A N CYS 188.A O no hydrogen 2.827 N/A ASN 193.A N GLY 189.A O no hydrogen 2.928 N/A PHE 194.A N GLN 190.A O no hydrogen 3.006 N/A ASP 195.A N CYS 191.A O no hydrogen 2.895 N/A CYS 196.A N LEU 192.A O no hydrogen 2.902 N/A SER 197.A N PHE 194.A O no hydrogen 3.235 N/A SER 197.A OG ASN 193.A O no hydrogen 2.301 N/A PHE 198.A N PHE 194.A O no hydrogen 2.987 N/A ILE 199.A N ASP 195.A O no hydrogen 2.888 N/A LEU 202.A N PHE 198.A O no hydrogen 3.082 N/A MET 203.A N ALA 200.A O no hydrogen 2.707 N/A ARG 205.A NH1 ASP 424.A OD2 no hydrogen 3.439 N/A LEU 208.A N LEU 204.A O no hydrogen 3.249 N/A THR 209.A OG1 ARG 206.A O no hydrogen 2.449 N/A LEU 211.A N CYS 207.A O no hydrogen 2.936 N/A ARG 212.A N LEU 208.A O no hydrogen 2.431 N/A ALA 213.A N THR 209.A O no hydrogen 3.294 N/A THR 214.A N LEU 211.A O no hydrogen 3.216 N/A THR 214.A OG1 LEU 211.A O no hydrogen 2.955 N/A LEU 216.A N THR 214.A OG1 no hydrogen 3.224 N/A ALA 217.A N THR 214.A O no hydrogen 2.907 N/A GLN 218.A NE2 GLN 618.A O no hydrogen 3.206 N/A VAL 219.A N TRP 215.A O no hydrogen 2.984 N/A LEU 220.A N LEU 216.A O no hydrogen 3.018 N/A ASN 225.A ND2 LEU 202.A O no hydrogen 3.557 N/A GLN 227.A N GLN 224.A O no hydrogen 3.222 N/A PHE 228.A N GLN 224.A O no hydrogen 3.219 N/A HIS 229.A N ASN 225.A O no hydrogen 2.881 N/A GLN 230.A N ILE 226.A O no hydrogen 2.900 N/A LEU 231.A N GLN 227.A O no hydrogen 2.891 N/A MET 232.A N PHE 228.A O no hydrogen 2.886 N/A GLY 233.A N HIS 229.A O no hydrogen 2.908 N/A TYR 234.A N GLN 230.A O no hydrogen 2.892 N/A VAL 235.A N LEU 231.A O no hydrogen 2.949 N/A VAL 236.A N MET 232.A O no hydrogen 2.870 N/A VAL 237.A N GLY 233.A O no hydrogen 2.954 N/A GLY 238.A N TYR 234.A O no hydrogen 2.957 N/A LEU 239.A N VAL 235.A O no hydrogen 2.833 N/A SER 240.A N VAL 236.A O no hydrogen 2.856 N/A LEU 241.A N VAL 237.A O no hydrogen 2.932 N/A VAL 242.A N GLY 238.A O no hydrogen 3.007 N/A HIS 243.A N LEU 239.A O no hydrogen 2.874 N/A THR 244.A N SER 240.A O no hydrogen 2.904 N/A THR 244.A OG1 SER 240.A O no hydrogen 3.498 N/A THR 244.A OG1 LEU 241.A O no hydrogen 2.864 N/A VAL 245.A N LEU 241.A O no hydrogen 3.000 N/A ALA 246.A N VAL 242.A O no hydrogen 2.898 N/A HIS 247.A N HIS 243.A O no hydrogen 2.986 N/A THR 248.A N THR 244.A O no hydrogen 2.885 N/A VAL 249.A N VAL 245.A O no hydrogen 2.927 N/A ASN 250.A N ALA 246.A O no hydrogen 2.944 N/A PHE 251.A N HIS 247.A O no hydrogen 2.885 N/A VAL 252.A N THR 248.A O no hydrogen 2.923 N/A LEU 253.A N VAL 249.A O no hydrogen 2.905 N/A GLN 254.A N ASN 250.A O no hydrogen 2.931 N/A GLN 254.A NE2 ASN 250.A O no hydrogen 3.639 N/A GLN 254.A NE2 ASN 250.A OD1 no hydrogen 3.641 N/A ALA 255.A N PHE 251.A O no hydrogen 2.719 N/A THR 262.A N SER 258.A O no hydrogen 3.144 N/A THR 262.A OG1 SER 258.A O no hydrogen 2.584 N/A THR 262.A OG1 HIS 307.A ND1 no hydrogen 2.337 N/A GLY 263.A N ALA 259.A O no hydrogen 2.894 N/A VAL 264.A N SER 260.A O no hydrogen 2.937 N/A ALA 265.A N PRO 261.A O no hydrogen 2.959 N/A LEU 266.A N THR 262.A O no hydrogen 2.877 N/A LEU 267.A N GLY 263.A O no hydrogen 2.916 N/A LEU 268.A N VAL 264.A O no hydrogen 2.947 N/A LEU 269.A N ALA 265.A O no hydrogen 2.910 N/A LEU 270.A N LEU 266.A O no hydrogen 2.880 N/A LEU 271.A N LEU 267.A O no hydrogen 2.948 N/A LEU 272.A N LEU 268.A O no hydrogen 2.887 N/A MET 273.A N LEU 269.A O no hydrogen 2.932 N/A PHE 274.A N LEU 270.A O no hydrogen 2.883 N/A ILE 275.A N LEU 271.A O no hydrogen 2.900 N/A ILE 275.A N LEU 272.A O no hydrogen 3.269 N/A CYS 276.A N LEU 272.A O no hydrogen 2.872 N/A SER 277.A OG CYS 276.A O no hydrogen 3.083 N/A SER 278.A OG ILE 275.A O no hydrogen 3.110 N/A CYS 280.A SG SER 278.A OG no hydrogen 3.604 N/A ARG 282.A N SER 279.A O no hydrogen 3.029 N/A ARG 282.A NE GLU 380.A OE2 no hydrogen 2.722 N/A ARG 283.A N SER 279.A O no hydrogen 2.906 N/A PHE 290.A N HIS 286.A O no hydrogen 3.049 N/A TYR 291.A N PHE 287.A O no hydrogen 2.953 N/A TRP 292.A N GLU 288.A O no hydrogen 2.901 N/A THR 293.A N VAL 289.A O no hydrogen 2.942 N/A THR 293.A OG1 CYS 276.A O no hydrogen 3.259 N/A THR 293.A OG1 VAL 289.A O no hydrogen 3.344 N/A THR 293.A OG1 PHE 290.A O no hydrogen 3.196 N/A HIS 294.A N PHE 290.A O no hydrogen 2.915 N/A LEU 295.A N TRP 292.A O no hydrogen 3.076 N/A SER 296.A N THR 293.A O no hydrogen 3.075 N/A SER 296.A OG THR 293.A O no hydrogen 2.578 N/A LEU 298.A N LEU 295.A O no hydrogen 3.357 N/A VAL 300.A N SER 296.A O no hydrogen 2.927 N/A TRP 301.A N TYR 297.A O no hydrogen 2.911 N/A LEU 302.A N LEU 298.A O no hydrogen 2.901 N/A LEU 303.A N LEU 299.A O no hydrogen 2.919 N/A LEU 304.A N VAL 300.A O no hydrogen 2.886 N/A ILE 305.A N TRP 301.A O no hydrogen 2.936 N/A ILE 305.A N LEU 302.A O no hydrogen 2.940 N/A HIS 307.A N LEU 304.A O no hydrogen 3.273 N/A GLY 308.A N LEU 304.A O no hydrogen 3.057 N/A PHE 311.A N GLY 308.A O no hydrogen 2.911 N/A LYS 313.A N ASN 310.A O no hydrogen 3.304 N/A LEU 315.A N PHE 311.A O no hydrogen 2.954 N/A GLY 319.A N LEU 315.A O no hydrogen 2.962 N/A ILE 320.A N LEU 316.A O no hydrogen 3.147 N/A LEU 321.A N VAL 317.A O no hydrogen 2.917 N/A PHE 322.A N PRO 318.A O no hydrogen 2.880 N/A PHE 323.A N GLY 319.A O no hydrogen 2.947 N/A LEU 324.A N ILE 320.A O no hydrogen 2.842 N/A GLU 325.A N LEU 321.A O no hydrogen 2.942 N/A LYS 326.A N PHE 322.A O no hydrogen 2.903 N/A ALA 327.A N PHE 323.A O no hydrogen 2.897 N/A ILE 328.A N LEU 324.A O no hydrogen 2.903 N/A GLY 329.A N GLU 325.A O no hydrogen 3.100 N/A SER 333.A N LEU 330.A O no hydrogen 3.103 N/A SER 333.A OG LEU 330.A O no hydrogen 2.964 N/A ARG 334.A N SER 333.A OG no hydrogen 2.836 N/A VAL 338.A N ALA 336.A O no hydrogen 2.541 N/A CYS 339.A SG ILE 340.A O no hydrogen 3.680 N/A CYS 339.A SG ILE 419.A O no hydrogen 3.721 N/A ILE 340.A N ILE 419.A O no hydrogen 3.421 N/A MET 341.A N LEU 354.A O no hydrogen 2.753 N/A GLU 342.A N LEU 354.A O no hydrogen 3.233 N/A ASN 344.A N HIS 352.A O no hydrogen 2.976 N/A SER 348.A OG SER 348.A O no hydrogen 2.421 N/A SER 348.A OG ARG 500.A O no hydrogen 2.927 N/A SER 348.A OG SER 501.A OG no hydrogen 2.537 N/A THR 351.A N ILE 400.A O no hydrogen 2.688 N/A THR 351.A OG1 ASN 344.A O no hydrogen 3.105 N/A HIS 352.A N ASN 344.A O no hydrogen 2.902 N/A LEU 353.A N LEU 398.A O no hydrogen 2.694 N/A LEU 354.A N GLU 342.A O no hydrogen 2.781 N/A ILE 355.A N ILE 396.A O no hydrogen 2.836 N/A LYS 356.A N CYS 339.A O no hydrogen 3.076 N/A LYS 356.A NZ ARG 357.A O no hydrogen 3.476 N/A ARG 357.A NE PHE 361.A O no hydrogen 2.850 N/A ARG 357.A NH1 PRO 390.A O no hydrogen 3.133 N/A ARG 357.A NH2 PHE 361.A O no hydrogen 2.818 N/A TYR 363.A OH SER 388.A O no hydrogen 3.101 N/A TYR 363.A OH ALA 389.A O no hydrogen 2.944 N/A ARG 364.A NH1 GLY 428.A O no hydrogen 2.860 N/A ARG 364.A NH1 THR 429.A O no hydrogen 2.727 N/A LEU 369.A N PHE 384.A O no hydrogen 2.618 N/A ASN 372.A ND2 ARG 378.A O no hydrogen 3.646 N/A ILE 376.A N ILE 373.A O no hydrogen 3.067 N/A ALA 377.A N ILE 373.A O no hydrogen 3.333 N/A HIS 382.A N LEU 371.A O no hydrogen 3.027 N/A PHE 384.A N LEU 369.A O no hydrogen 2.701 N/A ILE 386.A N ASP 367.A O no hydrogen 3.370 N/A SER 387.A OG SER 387.A O no hydrogen 2.492 N/A SER 387.A OG HIS 399.A ND1 no hydrogen 3.005 N/A SER 388.A OG ALA 389.A O no hydrogen 3.328 N/A SER 388.A OG GLN 392.A OE1 no hydrogen 2.965 N/A GLN 392.A N ALA 389.A O no hydrogen 3.184 N/A THR 395.A OG1 ILE 355.A O no hydrogen 2.566 N/A THR 395.A OG1 ILE 396.A O no hydrogen 3.504 N/A ILE 396.A N ILE 355.A O no hydrogen 2.865 N/A LEU 398.A N LEU 353.A O no hydrogen 2.710 N/A ILE 400.A N THR 351.A O no hydrogen 2.753 N/A SER 402.A N LYS 349.A O no hydrogen 3.362 N/A SER 402.A OG LYS 349.A O no hydrogen 2.541 N/A GLN 403.A N THR 407.A OG1 no hydrogen 2.978 N/A THR 407.A OG1 ARG 401.A O no hydrogen 3.198 N/A ARG 409.A N GLN 405.A O no hydrogen 3.204 N/A LEU 410.A N TRP 406.A O no hydrogen 2.864 N/A TYR 411.A N THR 407.A O no hydrogen 2.964 N/A GLU 412.A N ASN 408.A O no hydrogen 2.923 N/A SER 413.A N ARG 409.A O no hydrogen 2.868 N/A SER 413.A OG ARG 409.A O no hydrogen 3.309 N/A SER 413.A OG LEU 410.A O no hydrogen 2.692 N/A PHE 414.A N LEU 410.A O no hydrogen 2.968 N/A LYS 415.A N TYR 411.A O no hydrogen 2.914 N/A ALA 416.A N SER 413.A O no hydrogen 2.939 N/A CYS 417.A N GLU 342.A OE1 no hydrogen 2.841 N/A CYS 421.A N VAL 338.A O no hydrogen 2.982 N/A TYR 422.A N ASN 372.A O no hydrogen 3.162 N/A TYR 427.A OH ASP 424.A O no hydrogen 3.105 N/A TYR 427.A OH ASP 424.A OD2 no hydrogen 2.293 N/A THR 429.A OG1 PRO 430.A O no hydrogen 3.551 N/A THR 431.A OG1 PRO 365.A O no hydrogen 3.106 N/A ARG 433.A NH1 GLU 619.A OE1 no hydrogen 3.439 N/A ARG 433.A NH1 GLU 619.A OE2 no hydrogen 2.552 N/A ARG 433.A NH2 GLU 619.A OE1 no hydrogen 2.624 N/A ILE 434.A N THR 431.A O no hydrogen 3.108 N/A PHE 435.A N ARG 432.A O no hydrogen 3.209 N/A ALA 436.A N ARG 432.A O no hydrogen 3.112 N/A VAL 441.A N GLN 592.A O no hydrogen 3.014 N/A ILE 443.A N PHE 594.A O no hydrogen 3.071 N/A GLY 444.A N ILE 493.A O no hydrogen 2.866 N/A ALA 445.A N CYS 596.A O no hydrogen 3.256 N/A GLY 446.A N ILE 495.A O no hydrogen 3.267 N/A ALA 453.A N THR 450.A O no hydrogen 3.077 N/A ILE 455.A N PRO 451.A O no hydrogen 2.913 N/A LEU 456.A N PHE 452.A O no hydrogen 2.890 N/A GLN 457.A N ALA 453.A O no hydrogen 2.944 N/A SER 458.A N SER 454.A O no hydrogen 2.926 N/A SER 458.A OG GLU 391.A OE1 no hydrogen 3.570 N/A ILE 459.A N ILE 455.A O no hydrogen 2.890 N/A MET 460.A N LEU 456.A O no hydrogen 2.933 N/A TYR 461.A N GLN 457.A O no hydrogen 2.886 N/A ARG 462.A N SER 458.A O no hydrogen 2.969 N/A ARG 462.A NE GLU 391.A OE2 no hydrogen 2.926 N/A HIS 463.A N ILE 459.A O no hydrogen 2.902 N/A GLN 464.A N MET 460.A O no hydrogen 2.898 N/A LYS 465.A N TYR 461.A O no hydrogen 2.907 N/A ARG 466.A N HIS 463.A O no hydrogen 2.959 N/A ARG 466.A NE HIS 463.A ND1 no hydrogen 3.545 N/A ARG 466.A NH1 LEU 487.A O no hydrogen 2.836 N/A LYS 467.A N GLN 464.A O no hydrogen 3.377 N/A LYS 467.A NZ TYR 522.A OH no hydrogen 3.292 N/A HIS 468.A N TRP 477.A O no hydrogen 3.011 N/A CYS 470.A N HIS 475.A O no hydrogen 3.290 N/A CYS 470.A SG SER 472.A OG no hydrogen 2.730 N/A GLN 474.A N CYS 470.A O no hydrogen 3.227 N/A TRP 477.A N HIS 468.A O no hydrogen 3.162 N/A GLU 479.A N ARG 466.A O no hydrogen 3.436 N/A LYS 486.A N PHE 435.A O no hydrogen 3.133 N/A LYS 489.A NZ GLU 527.A OE2 no hydrogen 3.179 N/A VAL 490.A N PHE 525.A O no hydrogen 2.932 N/A ASP 491.A N ALA 440.A O no hydrogen 3.216 N/A PHE 492.A N GLU 527.A O no hydrogen 2.839 N/A ILE 493.A N LEU 442.A O no hydrogen 2.957 N/A TRP 494.A N HIS 529.A O no hydrogen 2.999 N/A ILE 495.A N GLY 444.A O no hydrogen 3.214 N/A ASN 496.A N TYR 531.A O no hydrogen 3.019 N/A ASN 496.A ND2 GLY 446.A O no hydrogen 3.063 N/A ARG 500.A NH2 ARG 500.A O no hydrogen 3.413 N/A SER 501.A OG SER 348.A OG no hydrogen 2.537 N/A PHE 502.A N GLN 499.A O no hydrogen 3.422 N/A GLU 503.A N GLU 503.A OE1 no hydrogen 2.609 N/A VAL 506.A N PHE 502.A O no hydrogen 2.924 N/A SER 507.A N GLU 503.A O no hydrogen 2.883 N/A SER 507.A OG TRP 504.A O no hydrogen 2.895 N/A LEU 508.A N TRP 504.A O no hydrogen 2.894 N/A LEU 508.A N PHE 505.A O no hydrogen 3.211 N/A LEU 509.A N PHE 505.A O no hydrogen 2.923 N/A THR 510.A N VAL 506.A O no hydrogen 2.930 N/A THR 510.A OG1 VAL 506.A O no hydrogen 3.156 N/A THR 510.A OG1 SER 507.A O no hydrogen 2.635 N/A LEU 512.A N LEU 508.A O no hydrogen 2.976 N/A GLU 513.A N LEU 509.A O no hydrogen 2.872 N/A MET 514.A N THR 510.A O no hydrogen 2.939 N/A ASP 515.A N LYS 511.A O no hydrogen 2.920 N/A GLN 516.A N GLU 513.A O no hydrogen 3.177 N/A GLN 516.A NE2 GLU 513.A O no hydrogen 3.688 N/A GLU 518.A N GLU 518.A OE1 no hydrogen 2.702 N/A GLU 519.A N GLN 516.A O no hydrogen 3.019 N/A ALA 520.A N ALA 517.A O no hydrogen 3.174 N/A TYR 522.A N GLU 519.A O no hydrogen 3.281 N/A GLY 523.A N GLU 519.A O no hydrogen 3.299 N/A GLU 527.A N VAL 490.A O no hydrogen 2.730 N/A HIS 529.A N PHE 492.A O no hydrogen 2.827 N/A TYR 531.A N TRP 494.A O no hydrogen 2.890 N/A THR 533.A N ASN 496.A O no hydrogen 3.124 N/A SER 534.A N ARG 497.A O no hydrogen 3.294 N/A SER 534.A OG ARG 497.A O no hydrogen 2.877 N/A SER 534.A OG ASP 498.A OD1 no hydrogen 2.645 N/A ALA 535.A N MET 532.A O no hydrogen 3.095 N/A ASP 540.A N GLY 537.A O no hydrogen 3.095 N/A ILE 544.A N ASP 540.A O no hydrogen 2.510 N/A GLY 545.A N MET 541.A O no hydrogen 2.900 N/A LEU 546.A N LYS 542.A O no hydrogen 2.918 N/A GLN 547.A N ALA 543.A O no hydrogen 2.889 N/A GLN 547.A NE2 ALA 543.A O no hydrogen 3.181 N/A MET 548.A N ILE 544.A O no hydrogen 2.885 N/A ALA 549.A N LEU 546.A O no hydrogen 3.128 N/A LEU 550.A N LEU 546.A O no hydrogen 2.945 N/A ASP 551.A N GLN 547.A O no hydrogen 2.880 N/A LEU 553.A N ALA 549.A O no hydrogen 2.946 N/A ALA 554.A N LEU 550.A O no hydrogen 2.890 N/A ASN 555.A N ASP 551.A O no hydrogen 2.893 N/A LYS 556.A N LEU 552.A O no hydrogen 2.908 N/A GLU 557.A N LEU 553.A O no hydrogen 2.920 N/A LYS 558.A N ALA 554.A O no hydrogen 2.514 N/A LYS 559.A NZ GLU 557.A O no hydrogen 2.793 N/A ASP 560.A N LEU 565.A O no hydrogen 3.084 N/A ILE 562.A N ASP 560.A OD1 no hydrogen 3.209 N/A THR 563.A N ASP 560.A O no hydrogen 3.138 N/A GLY 564.A N ASP 560.A O no hydrogen 2.625 N/A THR 567.A OG1 LEU 528.A O no hydrogen 3.343 N/A THR 569.A N ASP 560.A OD2 no hydrogen 2.693 N/A GLN 570.A N MET 530.A O no hydrogen 3.433 N/A SER 577.A OG ASP 575.A OD2 no hydrogen 2.485 N/A VAL 579.A N ASP 575.A O no hydrogen 3.232 N/A PHE 580.A N TRP 576.A O no hydrogen 2.892 N/A GLN 581.A N SER 577.A O no hydrogen 2.901 N/A LYS 582.A N LYS 578.A O no hydrogen 2.903 N/A VAL 583.A N VAL 579.A O no hydrogen 2.940 N/A ALA 584.A N PHE 580.A O no hydrogen 2.877 N/A ALA 585.A N GLN 581.A O no hydrogen 2.898 N/A LYS 590.A N GLU 438.A OE1 no hydrogen 3.081 N/A PHE 594.A N VAL 441.A O no hydrogen 3.101 N/A CYS 596.A N ILE 443.A O no hydrogen 3.324 N/A CYS 596.A SG GLY 448.A O no hydrogen 3.078 N/A CYS 596.A SG PHE 621.A O no hydrogen 3.111 N/A LEU 601.A N SER 598.A O no hydrogen 3.082 N/A ALA 602.A N SER 598.A O no hydrogen 3.176 N/A LYS 603.A N PRO 599.A O no hydrogen 2.926 N/A LYS 603.A NZ PRO 599.A O no hydrogen 3.179 N/A LEU 605.A N LEU 601.A O no hydrogen 2.892 N/A LYS 606.A N ALA 602.A O no hydrogen 2.889 N/A GLY 607.A N LYS 603.A O no hydrogen 2.895 N/A HIS 608.A N VAL 604.A O no hydrogen 2.957 N/A CYS 609.A N LEU 605.A O no hydrogen 2.846 N/A CYS 609.A SG LEU 605.A O no hydrogen 3.059 N/A GLU 610.A N LYS 606.A O no hydrogen 3.035 N/A LYS 611.A N GLY 607.A O no hydrogen 2.958 N/A LYS 611.A NZ HIS 608.A ND1 no hydrogen 3.130 N/A PHE 612.A N HIS 608.A O no hydrogen 2.800 N/A GLY 613.A N CYS 609.A O no hydrogen 2.513 N/A PHE 614.A N CYS 609.A O no hydrogen 3.037 N/A PHE 617.A N VAL 593.A O no hydrogen 3.006 N/A