Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pm4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ILE 307.A O no hydrogen 2.410 N/A THR 5.A N ALA 305.A O no hydrogen 2.893 N/A GLN 7.A N ILE 303.A O no hydrogen 2.888 N/A ALA 9.A N ILE 301.A O no hydrogen 2.887 N/A GLY 10.A N GLN 272.A O no hydrogen 2.998 N/A VAL 11.A N ALA 299.A O no hydrogen 2.943 N/A HIS 12.A N PRO 270.A O no hydrogen 2.725 N/A TRP 15.A N HIS 12.A O no hydrogen 3.272 N/A GLN 20.A NE2 SER 254.A O no hydrogen 3.135 N/A THR 22.A N PRO 18.A O no hydrogen 3.357 N/A GLN 23.A N ASP 19.A O no hydrogen 2.903 N/A GLN 24.A N GLN 20.A O no hydrogen 2.931 N/A GLN 24.A NE2 LEU 149.A O no hydrogen 2.317 N/A LEU 25.A N LEU 21.A O no hydrogen 2.939 N/A ARG 26.A N THR 22.A O no hydrogen 2.922 N/A ARG 26.A NE ASP 30.A OD1 no hydrogen 2.716 N/A ARG 26.A NE ASP 30.A OD2 no hydrogen 3.395 N/A LEU 27.A N GLN 23.A O no hydrogen 2.901 N/A ALA 28.A N GLN 24.A O no hydrogen 2.943 N/A HIS 29.A N LEU 25.A O no hydrogen 2.951 N/A ASP 30.A N ARG 26.A O no hydrogen 2.904 N/A LEU 31.A N LEU 27.A O no hydrogen 2.879 N/A ARG 32.A N ALA 28.A O no hydrogen 2.961 N/A ARG 32.A NH1 ARG 182.A O no hydrogen 2.970 N/A ARG 32.A NH2 ARG 182.A O no hydrogen 3.198 N/A GLU 33.A N HIS 29.A O no hydrogen 3.026 N/A ASP 34.A N ASP 30.A O no hydrogen 2.915 N/A LEU 35.A N LEU 31.A O no hydrogen 2.912 N/A VAL 36.A N ARG 32.A O no hydrogen 2.902 N/A THR 37.A N GLU 33.A O no hydrogen 2.958 N/A THR 37.A OG1 GLU 33.A O no hydrogen 3.004 N/A LEU 38.A N ASP 34.A O no hydrogen 2.951 N/A GLU 39.A N LEU 35.A O no hydrogen 2.907 N/A TYR 40.A N VAL 36.A O no hydrogen 2.933 N/A TYR 40.A OH LEU 181.A O no hydrogen 2.282 N/A GLU 41.A N THR 37.A O no hydrogen 2.950 N/A TYR 42.A N LEU 38.A O no hydrogen 2.898 N/A TYR 42.A N GLU 39.A O no hydrogen 3.182 N/A GLU 43.A N GLU 39.A O no hydrogen 2.863 N/A ASP 44.A N TYR 40.A O no hydrogen 2.965 N/A VAL 46.A N TYR 42.A O no hydrogen 2.922 N/A LYS 47.A N GLU 43.A O no hydrogen 2.873 N/A ALA 48.A N ASP 44.A O no hydrogen 2.933 N/A VAL 49.A N ALA 45.A O no hydrogen 2.913 N/A TRP 50.A N VAL 46.A O no hydrogen 2.963 N/A SER 51.A N LYS 47.A O no hydrogen 2.872 N/A SER 52.A OG VAL 49.A O no hydrogen 2.615 N/A TYR 53.A N TRP 50.A O no hydrogen 3.353 N/A ALA 57.A N TYR 53.A O no hydrogen 3.179 N/A ALA 58.A N PRO 54.A O no hydrogen 2.928 N/A LEU 59.A N ALA 55.A O no hydrogen 2.984 N/A GLU 60.A N VAL 56.A O no hydrogen 2.851 N/A ALA 61.A N ALA 57.A O no hydrogen 2.916 N/A GLN 62.A N ALA 58.A O no hydrogen 2.994 N/A VAL 63.A N LEU 59.A O no hydrogen 2.883 N/A ALA 64.A N GLU 60.A O no hydrogen 2.857 N/A GLU 65.A N ALA 61.A O no hydrogen 2.972 N/A LEU 66.A N GLN 62.A O no hydrogen 2.976 N/A ASP 67.A N VAL 63.A O no hydrogen 2.809 N/A GLU 68.A N ALA 64.A O no hydrogen 2.936 N/A ARG 69.A N GLU 65.A O no hydrogen 3.027 N/A ALA 70.A N LEU 66.A O no hydrogen 2.852 N/A SER 71.A N ASP 67.A O no hydrogen 2.871 N/A SER 71.A OG ASP 67.A O no hydrogen 2.677 N/A GLU 72.A N GLU 68.A O no hydrogen 3.003 N/A LEU 73.A N ARG 69.A O no hydrogen 2.953 N/A ALA 74.A N ALA 70.A O no hydrogen 2.820 N/A SER 75.A N SER 71.A O no hydrogen 2.947 N/A SER 75.A OG SER 71.A O no hydrogen 3.154 N/A SER 75.A OG GLU 72.A O no hydrogen 2.340 N/A THR 76.A N GLU 72.A O no hydrogen 2.968 N/A THR 76.A OG1 GLU 72.A O no hydrogen 2.679 N/A VAL 77.A N LEU 73.A O no hydrogen 2.886 N/A LYS 78.A N ALA 74.A O no hydrogen 2.923 N/A GLU 79.A N SER 75.A O no hydrogen 2.964 N/A GLU 80.A N THR 76.A O no hydrogen 2.925 N/A LYS 81.A N VAL 77.A O no hydrogen 2.856 N/A SER 82.A N LYS 78.A O no hydrogen 2.981 N/A SER 82.A OG LYS 78.A O no hydrogen 2.995 N/A ARG 83.A N GLU 79.A O no hydrogen 2.879 N/A GLN 84.A N GLU 80.A O no hydrogen 2.739 N/A GLN 84.A NE2 GLU 80.A OE1 no hydrogen 2.938 N/A THR 86.A N GLN 84.A O no hydrogen 2.457 N/A LYS 87.A NZ LYS 509.A O no hydrogen 2.298 N/A SER 90.A OG ARG 88.A O no hydrogen 3.204 N/A VAL 94.A N HIS 91.A O no hydrogen 3.047 N/A GLN 96.A N PRO 92.A O no hydrogen 2.984 N/A LEU 97.A N ALA 93.A O no hydrogen 2.796 N/A ALA 98.A N VAL 94.A O no hydrogen 2.943 N/A GLU 99.A N ALA 95.A O no hydrogen 2.963 N/A THR 100.A N GLN 96.A O no hydrogen 2.900 N/A THR 100.A OG1 GLN 96.A O no hydrogen 2.594 N/A ARG 101.A N LEU 97.A O no hydrogen 2.826 N/A ALA 102.A N ALA 98.A O no hydrogen 2.970 N/A GLN 103.A N GLU 99.A O no hydrogen 2.948 N/A LEU 104.A N THR 100.A O no hydrogen 2.840 N/A LYS 105.A N ARG 101.A O no hydrogen 2.858 N/A ALA 106.A N ALA 102.A O no hydrogen 2.976 N/A ALA 107.A N GLN 103.A O no hydrogen 2.891 N/A LYS 108.A N LEU 104.A O no hydrogen 2.885 N/A ALA 109.A N LYS 105.A O no hydrogen 2.944 N/A SER 110.A N ALA 106.A O no hydrogen 2.894 N/A SER 110.A OG ALA 106.A O no hydrogen 2.451 N/A ARG 111.A N ALA 107.A O no hydrogen 2.925 N/A ARG 112.A N LYS 108.A O no hydrogen 2.891 N/A GLU 113.A N ALA 109.A O no hydrogen 2.906 N/A ALA 114.A N SER 110.A O no hydrogen 2.962 N/A ILE 115.A N ARG 111.A O no hydrogen 2.909 N/A ALA 116.A N ARG 112.A O no hydrogen 2.907 N/A SER 117.A N GLU 113.A O no hydrogen 2.905 N/A SER 117.A OG GLU 113.A O no hydrogen 3.456 N/A SER 117.A OG ALA 114.A O no hydrogen 2.398 N/A VAL 118.A N ALA 114.A O no hydrogen 2.958 N/A ARG 119.A N ALA 116.A O no hydrogen 3.490 N/A GLU 121.A N VAL 118.A O no hydrogen 3.214 N/A ALA 122.A N VAL 118.A O no hydrogen 3.370 N/A ALA 122.A N ARG 119.A O no hydrogen 3.003 N/A THR 123.A N ASP 120.A O no hydrogen 3.401 N/A LEU 126.A N ALA 122.A O no hydrogen 3.090 N/A ARG 127.A N THR 123.A O no hydrogen 2.899 N/A THR 128.A N GLU 124.A O no hydrogen 2.896 N/A THR 128.A OG1 GLU 124.A O no hydrogen 3.238 N/A ILE 129.A N ARG 125.A O no hydrogen 2.953 N/A SER 130.A N LEU 126.A O no hydrogen 2.937 N/A ASP 131.A N ARG 127.A O no hydrogen 2.857 N/A GLU 132.A N THR 128.A O no hydrogen 2.876 N/A ARG 133.A N ILE 129.A O no hydrogen 2.987 N/A ARG 133.A NH1 GLU 39.A OE1 no hydrogen 3.397 N/A ARG 133.A NH1 GLU 39.A OE2 no hydrogen 3.179 N/A TYR 134.A N SER 130.A O no hydrogen 2.916 N/A ALA 135.A N ASP 131.A O no hydrogen 2.894 N/A ALA 136.A N GLU 132.A O no hydrogen 2.904 N/A GLN 137.A N ARG 133.A O no hydrogen 2.915 N/A LYS 138.A N TYR 134.A O no hydrogen 2.912 N/A GLN 139.A N ALA 135.A O no hydrogen 2.903 N/A LEU 140.A N ALA 136.A O no hydrogen 2.875 N/A TYR 141.A N GLN 137.A O no hydrogen 2.910 N/A ARG 142.A N LYS 138.A O no hydrogen 2.964 N/A ASP 143.A N GLN 139.A O no hydrogen 2.846 N/A TYR 144.A N LEU 140.A O no hydrogen 2.933 N/A TYR 144.A OH ASP 34.A OD2 no hydrogen 2.414 N/A CYS 145.A N TYR 141.A O no hydrogen 2.550 N/A CYS 145.A SG LEU 150.A O no hydrogen 3.181 N/A THR 146.A N TYR 141.A O no hydrogen 3.437 N/A ASP 147.A N ARG 142.A O no hydrogen 3.178 N/A LEU 150.A N TYR 144.A O no hydrogen 2.991 N/A TYR 151.A N GLN 24.A OE1 no hydrogen 3.305 N/A PHE 155.A N TYR 151.A O no hydrogen 3.107 N/A ASN 156.A N TRP 152.A O no hydrogen 2.881 N/A ALA 157.A N ALA 153.A O no hydrogen 2.913 N/A VAL 158.A N THR 154.A O no hydrogen 2.957 N/A LEU 159.A N PHE 155.A O no hydrogen 2.887 N/A ASP 160.A N ASN 156.A O no hydrogen 2.889 N/A HIS 161.A N ALA 157.A O no hydrogen 2.941 N/A HIS 162.A N VAL 158.A O no hydrogen 2.910 N/A LYS 163.A N LEU 159.A O no hydrogen 2.897 N/A THR 164.A N ASP 160.A O no hydrogen 2.976 N/A THR 164.A OG1 ASP 160.A O no hydrogen 3.048 N/A ALA 165.A N HIS 161.A O no hydrogen 2.942 N/A VAL 166.A N HIS 162.A O no hydrogen 2.907 N/A LYS 167.A N LYS 163.A O no hydrogen 2.974 N/A ARG 168.A N THR 164.A O no hydrogen 2.949 N/A ILE 169.A N ALA 165.A O no hydrogen 2.900 N/A ALA 170.A N VAL 166.A O no hydrogen 2.928 N/A ALA 171.A N LYS 167.A O no hydrogen 2.948 N/A HIS 172.A N ARG 168.A O no hydrogen 2.864 N/A ARG 173.A N ILE 169.A O no hydrogen 2.934 N/A ARG 173.A NH2 ALA 179.A O no hydrogen 2.268 N/A LYS 174.A N ALA 170.A O no hydrogen 2.928 N/A GLN 175.A N ALA 171.A O no hydrogen 3.316 N/A GLN 175.A N HIS 172.A O no hydrogen 3.158 N/A GLY 176.A N ARG 173.A O no hydrogen 3.414 N/A ARG 177.A NH1 GLN 175.A OE1 no hydrogen 3.046 N/A ARG 177.A NH2 GLN 175.A OE1 no hydrogen 3.500 N/A ARG 182.A NH1 GLN 180.A OE1 no hydrogen 2.959 N/A HIS 183.A ND1 GLU 33.A OE1 no hydrogen 2.628 N/A GLY 190.A N VAL 290.A O no hydrogen 2.978 N/A THR 191.A OG1 LEU 288.A O no hydrogen 3.273 N/A THR 191.A OG1 THR 289.A OG1 no hydrogen 2.610 N/A ILE 192.A N LEU 288.A O no hydrogen 2.937 N/A SER 193.A N THR 154.A OG1 no hydrogen 3.201 N/A VAL 194.A N ALA 286.A O no hydrogen 2.904 N/A LEU 196.A N THR 284.A O no hydrogen 3.381 N/A GLN 197.A NE2 GLN 195.A OE1 no hydrogen 3.446 N/A ARG 198.A NH2 ASP 282.A OD2 no hydrogen 2.429 N/A GLN 199.A N ASP 202.A OD2 no hydrogen 2.825 N/A GLN 199.A NE2 GLN 197.A OE1 no hydrogen 3.056 N/A THR 201.A OG1 ALA 200.A O no hydrogen 2.306 N/A ARG 205.A NH1 LEU 196.A O no hydrogen 2.909 N/A ILE 210.A N THR 206.A O no hydrogen 3.051 N/A ALA 211.A N PRO 207.A O no hydrogen 2.901 N/A ASP 212.A N ILE 209.A O no hydrogen 3.206 N/A THR 215.A N ASP 212.A OD2 no hydrogen 2.768 N/A THR 215.A OG1 ASP 212.A OD2 no hydrogen 2.520 N/A GLY 216.A N ASP 212.A O no hydrogen 3.134 N/A TRP 218.A NE1 GLN 197.A O no hydrogen 3.031 N/A ARG 219.A N GLY 216.A O no hydrogen 3.413 N/A ARG 219.A NE GLY 216.A O no hydrogen 3.001 N/A ARG 219.A NH1 ASP 214.A O no hydrogen 2.947 N/A LEU 222.A N TRP 218.A O no hydrogen 3.042 N/A ILE 223.A N ARG 249.A O no hydrogen 3.121 N/A TRP 226.A NE1 LEU 277.A O no hydrogen 3.152 N/A TRP 232.A N ASN 228.A O no hydrogen 2.676 N/A TRP 232.A NE1 HIS 274.A O no hydrogen 2.933 N/A ASP 233.A N PRO 229.A O no hydrogen 2.893 N/A THR 234.A OG1 ASP 230.A O no hydrogen 3.204 N/A ARG 237.A N ASP 236.A OD1 no hydrogen 2.515 N/A ARG 240.A N ASP 236.A O no hydrogen 3.180 N/A ARG 240.A NE ASP 236.A O no hydrogen 3.478 N/A ARG 241.A N ARG 237.A O no hydrogen 2.883 N/A LYS 242.A N ALA 238.A O no hydrogen 2.943 N/A ALA 243.A N SER 239.A O no hydrogen 2.881 N/A GLY 244.A N ARG 240.A O no hydrogen 2.921 N/A ARG 245.A N LYS 242.A O no hydrogen 3.472 N/A ARG 245.A NE GLN 272.A OE1 no hydrogen 3.478 N/A VAL 246.A N VAL 271.A O no hydrogen 2.990 N/A ILE 248.A N VAL 269.A O no hydrogen 2.893 N/A ARG 249.A N ILE 223.A O no hydrogen 3.309 N/A ARG 249.A NE ASP 268.A OD1 no hydrogen 3.057 N/A MET 250.A N ILE 267.A O no hydrogen 2.936 N/A CYS 252.A N GLU 265.A O no hydrogen 2.745 N/A CYS 252.A SG GLN 20.A O no hydrogen 3.559 N/A GLY 253.A N GLU 265.A O no hydrogen 3.016 N/A SER 255.A N THR 263.A O no hydrogen 2.840 N/A ARG 256.A NH1 ASP 147.A O no hydrogen 2.581 N/A ARG 256.A NH2 ASP 147.A O no hydrogen 3.548 N/A ASN 257.A N THR 261.A O no hydrogen 2.571 N/A ASN 257.A ND2 THR 261.A OG1 no hydrogen 3.196 N/A GLY 260.A N ASN 257.A O no hydrogen 2.747 N/A LYS 262.A NZ CYS 145.A O no hydrogen 3.292 N/A LYS 262.A NZ THR 146.A O no hydrogen 3.475 N/A THR 263.A N SER 255.A O no hydrogen 2.904 N/A THR 263.A OG1 SER 264.A O no hydrogen 3.554 N/A TRP 266.A NE1 SER 220.A O no hydrogen 2.431 N/A ILE 267.A N MET 250.A O no hydrogen 2.912 N/A VAL 269.A N ILE 248.A O no hydrogen 2.903 N/A VAL 271.A N VAL 246.A O no hydrogen 2.855 N/A GLN 272.A N GLY 10.A O no hydrogen 2.898 N/A GLN 272.A NE2 ARG 241.A O no hydrogen 2.718 N/A GLN 272.A NE2 GLN 273.A O no hydrogen 3.458 N/A GLN 273.A N GLY 244.A O no hydrogen 2.877 N/A GLN 273.A NE2 PRO 225.A O no hydrogen 3.271 N/A ARG 275.A NE GLN 7.A OE1 no hydrogen 3.368 N/A ALA 281.A N PRO 278.A O no hydrogen 3.135 N/A ASP 282.A N LYS 306.A O no hydrogen 2.963 N/A ILE 283.A N ARG 205.A O no hydrogen 2.698 N/A THR 284.A N THR 304.A O no hydrogen 2.880 N/A ALA 286.A N VAL 194.A O no hydrogen 2.920 N/A GLN 287.A N GLY 302.A O no hydrogen 2.962 N/A LEU 288.A N ILE 192.A O no hydrogen 2.893 N/A THR 289.A N THR 300.A O no hydrogen 2.886 N/A THR 289.A OG1 THR 191.A OG1 no hydrogen 2.610 N/A VAL 290.A N GLY 190.A O no hydrogen 2.859 N/A ARG 291.A N ARG 298.A O no hydrogen 2.889 N/A ARG 292.A NE ASP 187.A OD2 no hydrogen 2.580 N/A ARG 292.A NH1 GLY 294.A O no hydrogen 3.005 N/A ARG 292.A NH2 ASP 187.A OD2 no hydrogen 3.169 N/A GLU 293.A N ASP 296.A O no hydrogen 2.937 N/A ASP 296.A N GLU 293.A O no hydrogen 2.937 N/A ARG 298.A N ARG 291.A O no hydrogen 2.885 N/A THR 300.A N THR 289.A O no hydrogen 2.960 N/A ILE 301.A N ALA 9.A O no hydrogen 2.911 N/A GLY 302.A N GLN 287.A O no hydrogen 2.840 N/A ILE 303.A N GLN 7.A O no hydrogen 2.876 N/A THR 304.A N ALA 285.A O no hydrogen 3.283 N/A ALA 305.A N THR 5.A O no hydrogen 2.904 N/A LYS 306.A N ASP 282.A O no hydrogen 2.886 N/A ILE 307.A N ARG 3.A O no hydrogen 2.865 N/A GLY 311.A N GLU 545.A OE2 no hydrogen 3.156 N/A THR 318.A N THR 340.A OG1 no hydrogen 3.174 N/A ILE 319.A N ARG 493.A O no hydrogen 2.729 N/A ALA 320.A N ARG 338.A O no hydrogen 2.870 N/A VAL 321.A N VAL 495.A O no hydrogen 2.889 N/A HIS 322.A N THR 336.A O no hydrogen 2.870 N/A GLY 324.A N VAL 334.A O no hydrogen 2.490 N/A VAL 333.A N ARG 326.A O no hydrogen 2.728 N/A VAL 334.A N ILE 365.A O no hydrogen 2.870 N/A THR 336.A N HIS 322.A O no hydrogen 2.904 N/A TRP 337.A N GLY 363.A O no hydrogen 2.749 N/A ARG 338.A N ALA 320.A O no hydrogen 2.925 N/A ARG 338.A NE THR 594.A OG1 no hydrogen 2.766 N/A SER 339.A N THR 361.A O no hydrogen 2.783 N/A SER 339.A OG GLU 341.A O no hydrogen 2.843 N/A SER 339.A OG THR 361.A O no hydrogen 3.325 N/A THR 340.A N THR 318.A O no hydrogen 2.950 N/A LEU 349.A N PRO 346.A O no hydrogen 2.905 N/A ARG 350.A N GLU 347.A O no hydrogen 3.412 N/A ILE 353.A N LEU 349.A O no hydrogen 2.898 N/A THR 354.A N SER 364.A O no hydrogen 2.893 N/A THR 354.A OG1 SER 364.A O no hydrogen 3.381 N/A GLN 356.A N VAL 362.A O no hydrogen 3.114 N/A ARG 360.A N SER 357.A O no hydrogen 2.884 N/A THR 361.A OG1 SER 339.A O no hydrogen 2.572 N/A GLY 363.A N TRP 337.A O no hydrogen 2.838 N/A SER 364.A N THR 354.A O no hydrogen 2.893 N/A SER 364.A OG THR 354.A OG1 no hydrogen 2.697 N/A ILE 365.A N ALA 335.A O no hydrogen 2.707 N/A VAL 366.A N VAL 352.A O no hydrogen 2.869 N/A VAL 367.A N THR 332.A O no hydrogen 2.856 N/A GLN 373.A N HIS 369.A O no hydrogen 3.301 N/A GLN 373.A NE2 HIS 369.A ND1 no hydrogen 2.936 N/A ARG 374.A N ARG 370.A O no hydrogen 2.935 N/A VAL 375.A N ILE 371.A O no hydrogen 2.966 N/A HIS 376.A N GLU 372.A O no hydrogen 2.923 N/A HIS 377.A N GLN 373.A O no hydrogen 3.011 N/A HIS 378.A N VAL 375.A O no hydrogen 3.061 N/A THR 380.A N HIS 376.A O no hydrogen 3.100 N/A THR 380.A OG1 HIS 376.A O no hydrogen 3.360 N/A VAL 381.A N HIS 377.A O no hydrogen 2.969 N/A ALA 382.A N HIS 378.A O no hydrogen 2.880 N/A SER 383.A N ALA 379.A O no hydrogen 3.075 N/A ARG 385.A N VAL 381.A O no hydrogen 2.948 N/A ARG 385.A NE ASP 458.A OD1 no hydrogen 2.718 N/A ARG 385.A NH2 ASP 458.A OD1 no hydrogen 2.770 N/A ASP 386.A N ALA 382.A O no hydrogen 2.983 N/A LEU 387.A N SER 383.A O no hydrogen 2.995 N/A ALA 388.A N HIS 384.A O no hydrogen 2.930 N/A VAL 389.A N ARG 385.A O no hydrogen 2.931 N/A ASP 390.A N ASP 386.A O no hydrogen 2.954 N/A SER 391.A N LEU 387.A O no hydrogen 2.972 N/A ILE 392.A N ALA 388.A O no hydrogen 2.942 N/A ARG 393.A N VAL 389.A O no hydrogen 2.893 N/A ARG 393.A NE TRP 423.A O no hydrogen 2.886 N/A ARG 393.A NH2 TRP 423.A O no hydrogen 2.254 N/A ARG 393.A NH2 LYS 424.A O no hydrogen 3.472 N/A ASP 394.A N ASP 390.A O no hydrogen 2.965 N/A THR 395.A N SER 391.A O no hydrogen 2.980 N/A THR 395.A OG1 SER 391.A O no hydrogen 3.102 N/A LEU 396.A N ILE 392.A O no hydrogen 2.885 N/A VAL 397.A N ARG 393.A O no hydrogen 2.958 N/A ALA 398.A N ASP 394.A O no hydrogen 2.913 N/A TRP 399.A N THR 395.A O no hydrogen 2.906 N/A LEU 400.A N LEU 396.A O no hydrogen 2.895 N/A THR 401.A N VAL 397.A O no hydrogen 2.894 N/A GLU 402.A N ALA 398.A O no hydrogen 2.962 N/A HIS 403.A N TRP 399.A O no hydrogen 2.899 N/A GLN 406.A NE2 GLY 404.A O no hydrogen 2.994 N/A VAL 420.A N THR 416.A O no hydrogen 2.866 N/A GLN 421.A N ALA 417.A O no hydrogen 2.910 N/A ARG 422.A N ALA 418.A O no hydrogen 2.937 N/A ARG 422.A N SER 419.A O no hydrogen 2.961 N/A TRP 423.A N VAL 420.A O no hydrogen 3.038 N/A ALA 430.A N PRO 426.A O no hydrogen 2.960 N/A TRP 431.A N ARG 427.A O no hydrogen 2.874 N/A LEU 432.A N ARG 428.A O no hydrogen 2.921 N/A ALA 433.A N PHE 429.A O no hydrogen 2.906 N/A LEU 434.A N ALA 430.A O no hydrogen 2.929 N/A GLN 435.A N TRP 431.A O no hydrogen 2.952 N/A TRP 436.A N LEU 432.A O no hydrogen 2.889 N/A ARG 437.A N ALA 433.A O no hydrogen 2.925 N/A THR 439.A OG1 GLN 435.A O no hydrogen 3.318 N/A THR 439.A OG1 THR 439.A O no hydrogen 2.493 N/A GLY 444.A N PRO 441.A O no hydrogen 2.627 N/A ALA 448.A N GLY 444.A O no hydrogen 2.931 N/A GLU 449.A N ALA 445.A O no hydrogen 2.940 N/A THR 450.A N ASP 446.A O no hydrogen 2.965 N/A THR 450.A OG1 ASP 446.A O no hydrogen 3.182 N/A LEU 451.A N ILE 447.A O no hydrogen 2.855 N/A GLU 452.A N ALA 448.A O no hydrogen 2.932 N/A ALA 453.A N GLU 449.A O no hydrogen 2.938 N/A TRP 454.A N THR 450.A O no hydrogen 2.897 N/A ARG 455.A N LEU 451.A O no hydrogen 2.895 N/A ARG 455.A NE GLU 452.A OE1 no hydrogen 3.426 N/A ARG 455.A NE GLU 452.A OE2 no hydrogen 2.917 N/A ARG 455.A NH2 GLU 452.A OE2 no hydrogen 2.264 N/A ARG 456.A N GLU 452.A O no hydrogen 2.897 N/A ALA 457.A N ALA 453.A O no hydrogen 3.052 N/A ASP 458.A N TRP 454.A O no hydrogen 2.829 N/A LYS 459.A N ARG 455.A O no hydrogen 2.877 N/A LYS 460.A N ARG 456.A O no hydrogen 3.013 N/A LYS 460.A NZ GLU 464.A OE2 no hydrogen 2.253 N/A LEU 461.A N ALA 457.A O no hydrogen 2.964 N/A TRP 462.A N ASP 458.A O no hydrogen 2.786 N/A LEU 463.A N LYS 459.A O no hydrogen 2.929 N/A GLU 464.A N LYS 460.A O no hydrogen 2.986 N/A SER 465.A N LEU 461.A O no hydrogen 2.885 N/A SER 465.A OG LEU 461.A O no hydrogen 2.828 N/A GLU 466.A N TRP 462.A O no hydrogen 2.957 N/A HIS 467.A N LEU 463.A O no hydrogen 2.903 N/A HIS 467.A ND1 GLU 293.A OE2 no hydrogen 2.911 N/A HIS 467.A NE2 ASP 296.A OD2 no hydrogen 2.715 N/A GLY 468.A N GLU 464.A O no hydrogen 2.896 N/A ARG 469.A N SER 465.A O no hydrogen 2.998 N/A GLY 470.A N GLU 466.A O no hydrogen 2.893 N/A ARG 471.A N HIS 467.A O no hydrogen 2.879 N/A ALA 472.A N GLY 468.A O no hydrogen 2.988 N/A LEU 473.A N ARG 469.A O no hydrogen 2.941 N/A ARG 474.A N GLY 470.A O no hydrogen 2.924 N/A ARG 474.A NH1 GLU 293.A OE1 no hydrogen 3.115 N/A HIS 475.A N ARG 471.A O no hydrogen 2.886 N/A ARG 476.A N ALA 472.A O no hydrogen 2.978 N/A THR 477.A N LEU 473.A O no hydrogen 2.975 N/A THR 477.A OG1 LEU 473.A O no hydrogen 3.156 N/A ASP 478.A N ARG 474.A O no hydrogen 2.866 N/A LEU 479.A N HIS 475.A O no hydrogen 2.960 N/A HIS 480.A N ARG 476.A O no hydrogen 2.908 N/A HIS 480.A NE2 ALA 528.A O no hydrogen 2.944 N/A HIS 480.A NE2 ALA 529.A O no hydrogen 3.149 N/A ARG 481.A N THR 477.A O no hydrogen 2.915 N/A GLN 482.A N ASP 478.A O no hydrogen 2.921 N/A VAL 483.A N LEU 479.A O no hydrogen 2.999 N/A ALA 484.A N HIS 480.A O no hydrogen 2.900 N/A ALA 485.A N ARG 481.A O no hydrogen 2.846 N/A TYR 486.A N GLN 482.A O no hydrogen 2.991 N/A TYR 486.A OH ASP 344.A O no hydrogen 2.731 N/A PHE 487.A N VAL 483.A O no hydrogen 2.984 N/A ALA 488.A N ALA 484.A O no hydrogen 2.910 N/A GLY 489.A N ALA 485.A O no hydrogen 2.901 N/A GLY 489.A N TYR 486.A O no hydrogen 3.017 N/A VAL 490.A N TYR 486.A O no hydrogen 3.015 N/A VAL 490.A N PHE 487.A O no hydrogen 3.151 N/A ALA 491.A N PHE 487.A O no hydrogen 2.722 N/A GLY 492.A N PRO 317.A O no hydrogen 2.424 N/A ARG 493.A N PRO 317.A O no hydrogen 3.192 N/A ILE 494.A N PRO 547.A O no hydrogen 2.929 N/A VAL 495.A N ILE 319.A O no hydrogen 2.485 N/A VAL 496.A N THR 549.A O no hydrogen 2.932 N/A ASP 498.A N VAL 551.A O no hydrogen 3.237 N/A ALA 502.A N ASP 500.A OD1 no hydrogen 3.083 N/A ILE 504.A N ASP 500.A O no hydrogen 3.149 N/A ALA 505.A N ILE 501.A O no hydrogen 2.920 N/A GLY 506.A N ALA 502.A O no hydrogen 2.897 N/A THR 507.A N GLN 503.A O no hydrogen 2.847 N/A THR 507.A OG1 GLN 503.A O no hydrogen 2.977 N/A ALA 508.A N ALA 505.A O no hydrogen 3.472 N/A LYS 509.A NZ HIS 510.A NE2 no hydrogen 3.219 N/A HIS 510.A N THR 507.A O no hydrogen 3.098 N/A SER 511.A OG ALA 508.A O no hydrogen 2.323 N/A SER 511.A OG ASP 518.A OD1 no hydrogen 2.833 N/A SER 511.A OG ASP 518.A OD2 no hydrogen 3.291 N/A ASP 518.A N LEU 514.A O no hydrogen 2.933 N/A ARG 519.A N THR 515.A O no hydrogen 2.879 N/A ARG 519.A NE ASP 516.A OD1 no hydrogen 3.493 N/A GLN 520.A N ASP 516.A O no hydrogen 2.917 N/A ILE 521.A N VAL 517.A O no hydrogen 2.944 N/A ALA 522.A N ASP 518.A O no hydrogen 2.915 N/A ARG 523.A N ARG 519.A O no hydrogen 2.866 N/A ARG 524.A N GLN 520.A O no hydrogen 2.961 N/A ARG 524.A NE TRP 325.A O no hydrogen 3.285 N/A ARG 525.A N ILE 521.A O no hydrogen 2.890 N/A ALA 526.A N ALA 522.A O no hydrogen 2.921 N/A ILE 527.A N ARG 523.A O no hydrogen 2.940 N/A ALA 528.A N ARG 524.A O no hydrogen 2.919 N/A ALA 529.A N ARG 525.A O no hydrogen 2.795 N/A LEU 533.A N ALA 529.A O no hydrogen 3.284 N/A ARG 534.A N PRO 530.A O no hydrogen 2.924 N/A ARG 534.A NH1 ASP 497.A O no hydrogen 2.677 N/A ARG 534.A NH1 SER 499.A O no hydrogen 3.065 N/A ARG 534.A NH1 SER 499.A OG no hydrogen 3.249 N/A ARG 534.A NH2 SER 499.A O no hydrogen 2.559 N/A ALA 535.A N GLY 531.A O no hydrogen 2.921 N/A ALA 536.A N MET 532.A O no hydrogen 2.866 N/A ILE 537.A N LEU 533.A O no hydrogen 2.916 N/A VAL 538.A N ARG 534.A O no hydrogen 2.923 N/A ALA 539.A N ALA 535.A O no hydrogen 2.879 N/A ALA 540.A N ALA 536.A O no hydrogen 2.879 N/A ALA 541.A N ILE 537.A O no hydrogen 2.920 N/A THR 542.A N VAL 538.A O no hydrogen 2.879 N/A THR 542.A OG1 VAL 538.A O no hydrogen 2.635 N/A ARG 543.A N ALA 539.A O no hydrogen 2.926 N/A ASP 544.A N ALA 540.A O no hydrogen 3.211 N/A GLU 545.A N THR 542.A O no hydrogen 3.117 N/A VAL 546.A N ALA 541.A O no hydrogen 2.689 N/A THR 549.A N ILE 494.A O no hydrogen 2.900 N/A VAL 551.A N VAL 496.A O no hydrogen 3.150 N/A LEU 556.A N HIS 553.A O no hydrogen 3.194 N/A VAL 559.A N GLY 555.A O no hydrogen 2.851 N/A HIS 560.A N HIS 565.A O no hydrogen 3.267 N/A ALA 561.A N SER 592.A OG no hydrogen 2.933 N/A CYS 563.A SG HIS 560.A ND1 no hydrogen 2.789 N/A GLY 564.A N HIS 560.A O no hydrogen 2.503 N/A ASN 567.A N ARG 558.A O no hydrogen 3.505 N/A ASN 567.A ND2 HIS 565.A O no hydrogen 3.234 N/A TYR 573.A OH ASN 567.A O no hydrogen 2.955 N/A GLN 576.A NE2 TYR 573.A O no hydrogen 3.262 N/A GLN 576.A NE2 THR 589.A OG1 no hydrogen 3.011 N/A VAL 578.A N TYR 587.A O no hydrogen 2.848 N/A CYS 580.A N ARG 585.A O no hydrogen 2.853 N/A ASP 581.A N ASN 567.A OD1 no hydrogen 3.043 N/A GLY 584.A N CYS 580.A O no hydrogen 2.941 N/A TYR 587.A N ARG 585.A O no hydrogen 2.925 N/A THR 589.A N GLN 576.A OE1 no hydrogen 2.897 N/A THR 589.A OG1 GLN 576.A OE1 no hydrogen 3.276 N/A ASP 590.A N ASP 588.A OD1 no hydrogen 2.821 N/A SER 592.A N ASP 588.A O no hydrogen 3.171 N/A SER 592.A OG VAL 559.A O no hydrogen 3.052 N/A ALA 593.A N THR 589.A O no hydrogen 2.883 N/A THR 594.A N ASP 590.A O no hydrogen 2.969 N/A THR 594.A OG1 ASP 590.A O no hydrogen 3.561 N/A THR 594.A OG1 LEU 591.A O no hydrogen 2.603 N/A ILE 595.A N LEU 591.A O no hydrogen 2.926 N/A LEU 596.A N SER 592.A O no hydrogen 2.960 N/A MET 597.A N ALA 593.A O no hydrogen 2.875 N/A LEU 598.A N THR 594.A O no hydrogen 2.939 N/A GLN 599.A N ILE 595.A O no hydrogen 2.962 N/A ARG 600.A N LEU 596.A O no hydrogen 2.889 N/A ARG 600.A NH1 THR 554.A O no hydrogen 2.951 N/A ARG 600.A NH2 THR 554.A O no hydrogen 2.684 N/A ALA 601.A N MET 597.A O no hydrogen 2.889 N/A SER 602.A N LEU 598.A O no hydrogen 2.921 N/A SER 602.A OG LEU 598.A O no hydrogen 3.249 N/A ALA 603.A N GLN 599.A O no hydrogen 2.928 N/A ALA 604.A N ARG 600.A O no hydrogen 3.338 N/A ALA 604.A N ALA 601.A O no hydrogen 3.244 N/A