Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hk2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ARG 297.A O no hydrogen 3.526 N/A THR 4.A N ALA 295.A O no hydrogen 3.077 N/A VAL 6.A N ALA 293.A O no hydrogen 2.824 N/A PHE 7.A N TYR 564.A O no hydrogen 2.666 N/A LEU 8.A N VAL 291.A O no hydrogen 3.375 N/A ASN 9.A ND2 ARG 562.A O no hydrogen 3.183 N/A ALA 12.A N GLU 289.A O no hydrogen 2.682 N/A LEU 13.A N PHE 160.A O no hydrogen 3.341 N/A ARG 14.A N LEU 285.A O no hydrogen 2.792 N/A ARG 14.A NE GLY 284.A O no hydrogen 3.148 N/A ARG 14.A NH1 PRO 15.A O no hydrogen 2.820 N/A ARG 14.A NH1 GLU 20.A OE2 no hydrogen 3.022 N/A ARG 14.A NH2 GLU 20.A OE1 no hydrogen 2.843 N/A ARG 14.A NH2 GLU 20.A OE2 no hydrogen 3.367 N/A LEU 16.A N GLY 158.A O no hydrogen 2.922 N/A ASN 17.A N GLU 20.A OE2 no hydrogen 2.718 N/A GLU 19.A N ASN 17.A OD1 no hydrogen 2.800 N/A GLU 20.A N ASN 17.A O no hydrogen 2.768 N/A GLU 20.A N ASN 17.A OD1 no hydrogen 2.990 N/A LEU 21.A N ASN 17.A O no hydrogen 3.077 N/A TRP 24.A N SER 63.A O no hydrogen 2.825 N/A ARG 25.A N GLY 91.A O no hydrogen 2.708 N/A ARG 25.A NE LYS 90.A O no hydrogen 3.265 N/A ARG 25.A NH2 LYS 90.A O no hydrogen 3.433 N/A LEU 26.A N LEU 61.A O no hydrogen 2.932 N/A GLU 27.A N TYR 88.A O no hydrogen 2.917 N/A LEU 42.A N GLU 38.A O no hydrogen 3.167 N/A LEU 43.A N VAL 39.A O no hydrogen 3.047 N/A ALA 44.A N TYR 40.A O no hydrogen 3.161 N/A VAL 46.A N LEU 42.A O no hydrogen 2.923 N/A ALA 47.A N LEU 43.A O no hydrogen 3.201 N/A ARG 48.A N ALA 44.A O no hydrogen 3.451 N/A ARG 49.A N GLN 45.A O no hydrogen 3.031 N/A ALA 50.A N VAL 46.A O no hydrogen 2.902 N/A GLY 51.A N ARG 48.A O no hydrogen 3.212 N/A THR 54.A OG1 ALA 62.A O no hydrogen 3.561 N/A VAL 55.A N ALA 62.A O no hydrogen 3.008 N/A ARG 56.A NH1 GLY 58.A O no hydrogen 3.222 N/A MET 57.A N GLY 60.A O no hydrogen 2.644 N/A GLY 60.A N MET 57.A O no hydrogen 3.143 N/A LEU 61.A N LEU 26.A O no hydrogen 2.924 N/A ALA 62.A N VAL 55.A O no hydrogen 3.088 N/A SER 63.A N TRP 24.A O no hydrogen 2.820 N/A SER 63.A OG VAL 53.A O no hydrogen 3.251 N/A SER 63.A OG SER 65.A O no hydrogen 3.273 N/A TRP 64.A N VAL 53.A O no hydrogen 2.986 N/A TRP 64.A NE1 GLU 20.A O no hydrogen 2.828 N/A SER 65.A N SER 63.A OG no hydrogen 3.116 N/A VAL 69.A N PRO 66.A O no hydrogen 3.040 N/A LEU 70.A N PRO 67.A O no hydrogen 2.865 N/A VAL 71.A N ALA 50.A O no hydrogen 2.838 N/A ARG 78.A N GLN 81.A O no hydrogen 2.864 N/A GLN 81.A N ARG 78.A O no hydrogen 3.133 N/A TYR 83.A N LEU 76.A O no hydrogen 2.574 N/A TYR 85.A OH VAL 71.A O no hydrogen 3.118 N/A LEU 87.A N LEU 72.A O no hydrogen 2.681 N/A TYR 88.A N GLU 27.A O no hydrogen 3.313 N/A LYS 90.A N ARG 25.A O no hydrogen 2.809 N/A LYS 90.A NZ GLU 27.A OE1 no hydrogen 2.784 N/A ARG 92.A NE ARG 22.A O no hydrogen 3.046 N/A ARG 92.A NH1 GLU 19.A O no hydrogen 3.107 N/A ARG 92.A NH1 GLU 19.A OE1 no hydrogen 2.761 N/A ARG 92.A NH1 ARG 22.A O no hydrogen 2.761 N/A ARG 92.A NH2 GLU 19.A OE1 no hydrogen 3.000 N/A ARG 93.A N PRO 23.A O no hydrogen 3.131 N/A LEU 95.A N LEU 21.A O no hydrogen 3.209 N/A ASP 96.A N GLU 102.A OE1 no hydrogen 2.894 N/A LYS 98.A N ASP 96.A OD1 no hydrogen 2.993 N/A GLY 101.A N ASP 99.A OD2 no hydrogen 2.545 N/A GLU 102.A N ASP 99.A OD2 no hydrogen 3.348 N/A ARG 103.A N ASP 99.A O no hydrogen 2.871 N/A ARG 103.A NE PRO 97.A O no hydrogen 2.639 N/A SER 104.A N GLY 101.A O no hydrogen 3.140 N/A VAL 105.A N GLU 102.A O no hydrogen 3.139 N/A LEU 106.A N GLU 102.A O no hydrogen 3.301 N/A SER 107.A N ARG 103.A O no hydrogen 3.280 N/A SER 107.A OG ARG 103.A O no hydrogen 3.290 N/A ALA 108.A N SER 104.A O no hydrogen 3.257 N/A LEU 109.A N VAL 105.A O no hydrogen 2.943 N/A ALA 110.A N LEU 106.A O no hydrogen 3.086 N/A ARG 111.A N SER 107.A O no hydrogen 3.215 N/A ARG 111.A N ALA 108.A O no hydrogen 3.233 N/A ARG 112.A N ALA 108.A O no hydrogen 3.386 N/A LEU 113.A N LEU 109.A O no hydrogen 2.805 N/A LEU 114.A N ALA 110.A O no hydrogen 2.923 N/A GLN 115.A N ARG 111.A O no hydrogen 2.849 N/A GLU 116.A N ARG 112.A O no hydrogen 2.594 N/A ARG 117.A N LEU 113.A O no hydrogen 3.004 N/A ARG 117.A NH1 LEU 283.A O no hydrogen 2.473 N/A LEU 118.A N LEU 114.A O no hydrogen 3.052 N/A LEU 118.A N GLN 115.A O no hydrogen 3.272 N/A ARG 119.A N GLN 115.A O no hydrogen 2.969 N/A ARG 119.A NH1 GLU 116.A OE1 no hydrogen 3.428 N/A VAL 131.A N ALA 148.A O no hydrogen 2.932 N/A TYR 132.A N TRP 125.A O no hydrogen 3.088 N/A HIS 136.A N VAL 144.A O no hydrogen 3.232 N/A ARG 143.A N LEU 171.A O no hydrogen 3.121 N/A LEU 145.A N ARG 169.A O no hydrogen 2.941 N/A ALA 148.A N VAL 131.A O no hydrogen 2.814 N/A VAL 149.A N ASP 165.A O no hydrogen 2.706 N/A LEU 150.A N LEU 129.A O no hydrogen 3.220 N/A ASP 151.A N GLU 163.A O no hydrogen 2.852 N/A LEU 152.A N ASP 151.A OD2 no hydrogen 2.628 N/A TRP 153.A N LEU 161.A O no hydrogen 2.799 N/A VAL 154.A N SER 107.A OG no hydrogen 2.890 N/A SER 155.A OG SER 157.A OG no hydrogen 2.914 N/A SER 157.A OG SER 155.A OG no hydrogen 2.914 N/A PHE 160.A N ARG 14.A O no hydrogen 3.131 N/A LEU 161.A N TRP 153.A O no hydrogen 2.519 N/A LEU 162.A N PHE 11.A O no hydrogen 3.099 N/A GLU 163.A N ASP 151.A O no hydrogen 2.786 N/A VAL 164.A N ASN 9.A O no hydrogen 3.066 N/A ASP 165.A N VAL 149.A O no hydrogen 2.879 N/A ARG 169.A N LEU 145.A O no hydrogen 3.039 N/A LEU 171.A N ARG 143.A O no hydrogen 2.998 N/A SER 175.A OG LEU 255.A O no hydrogen 3.567 N/A LEU 176.A N LEU 255.A O no hydrogen 3.022 N/A TRP 179.A N SER 175.A O no hydrogen 2.637 N/A ALA 181.A N GLU 177.A O no hydrogen 2.993 N/A GLN 182.A N ALA 178.A O no hydrogen 3.079 N/A GLN 182.A N TRP 179.A O no hydrogen 3.153 N/A GLY 183.A N LEU 180.A O no hydrogen 3.337 N/A VAL 190.A N TRP 199.A O no hydrogen 3.206 N/A ASN 192.A N ARG 197.A O no hydrogen 3.121 N/A ALA 193.A N LEU 254.A O no hydrogen 3.204 N/A THR 198.A OG1 ARG 196.A O no hydrogen 3.528 N/A TRP 199.A N VAL 190.A O no hydrogen 3.242 N/A TRP 199.A NE1 ASN 192.A OD1 no hydrogen 2.813 N/A GLU 200.A N ALA 239.A O no hydrogen 3.137 N/A ARG 203.A N TRP 237.A O no hydrogen 3.187 N/A GLY 205.A N VAL 235.A O no hydrogen 2.866 N/A LEU 217.A N LEU 212.A O no hydrogen 3.351 N/A LEU 218.A N PRO 209.A O no hydrogen 3.088 N/A TYR 220.A N SER 216.A O no hydrogen 2.741 N/A SER 223.A N ASP 219.A O no hydrogen 3.119 N/A GLY 225.A N ALA 222.A O no hydrogen 3.279 N/A ARG 226.A N HIS 221.A O no hydrogen 3.407 N/A ALA 236.A N HIS 250.A O no hydrogen 2.676 N/A VAL 238.A N ILE 248.A O no hydrogen 3.033 N/A ASP 243.A N ASP 240.A OD2 no hydrogen 3.123 N/A ILE 248.A N VAL 238.A O no hydrogen 2.562 N/A THR 252.A N ARG 234.A O no hydrogen 3.163 N/A LEU 254.A N LEU 251.A O no hydrogen 3.205 N/A VAL 256.A N ARG 191.A O no hydrogen 2.945 N/A VAL 258.A N ARG 189.A O no hydrogen 2.926 N/A ARG 268.A N PRO 264.A O no hydrogen 2.653 N/A ARG 268.A NH1 ASP 165.A OD1 no hydrogen 2.795 N/A ARG 268.A NH1 PRO 166.A O no hydrogen 3.434 N/A ARG 269.A N TRP 265.A O no hydrogen 3.149 N/A ARG 269.A NH2 PRO 565.A O no hydrogen 2.577 N/A ARG 270.A N GLU 266.A O no hydrogen 3.441 N/A ARG 271.A N GLU 267.A O no hydrogen 2.877 N/A THR 272.A N ARG 268.A O no hydrogen 3.007 N/A THR 272.A OG1 ARG 268.A O no hydrogen 2.610 N/A ARG 273.A N ARG 269.A O no hydrogen 2.982 N/A GLU 274.A N ARG 270.A O no hydrogen 2.994 N/A ILE 275.A N ARG 271.A O no hydrogen 3.081 N/A ALA 276.A N THR 272.A O no hydrogen 3.173 N/A SER 277.A N ARG 273.A O no hydrogen 3.205 N/A SER 277.A OG ARG 273.A O no hydrogen 3.388 N/A TRP 278.A N GLU 274.A O no hydrogen 3.243 N/A ILE 279.A N ILE 275.A O no hydrogen 3.307 N/A GLY 280.A N ALA 276.A O no hydrogen 2.914 N/A ARG 281.A N SER 277.A O no hydrogen 3.348 N/A ARG 281.A N TRP 278.A O no hydrogen 3.037 N/A ARG 282.A N TRP 278.A O no hydrogen 3.014 N/A GLY 284.A N ARG 281.A O no hydrogen 3.468 N/A LEU 285.A N GLY 280.A O no hydrogen 3.319 N/A GLU 289.A N ALA 12.A O no hydrogen 3.050 N/A ALA 293.A N VAL 6.A O no hydrogen 2.941 N/A GLN 294.A NE2 GLN 294.A O no hydrogen 3.600 N/A ALA 295.A N THR 4.A O no hydrogen 2.893 N/A TYR 296.A N TYR 575.A O no hydrogen 2.962 N/A ARG 297.A N GLY 2.A O no hydrogen 3.244 N/A LEU 298.A N GLY 573.A O no hydrogen 2.830 N/A MET 304.A N ALA 446.A O no hydrogen 2.756 N/A GLY 305.A N ARG 307.A O no hydrogen 3.008 N/A ARG 306.A N GLY 319.A O no hydrogen 2.894 N/A ARG 306.A NE ARG 306.A O no hydrogen 2.634 N/A ARG 306.A NH2 ARG 306.A O no hydrogen 3.317 N/A VAL 309.A N LEU 303.A O no hydrogen 2.852 N/A SER 310.A OG ASP 314.A OD2 no hydrogen 3.057 N/A ALA 313.A N GLY 625.A O no hydrogen 3.218 N/A ASP 314.A N LYS 311.A O no hydrogen 2.880 N/A ALA 315.A N PRO 312.A O no hydrogen 2.973 N/A LEU 316.A N ALA 313.A O no hydrogen 3.081 N/A ARG 317.A N ASP 314.A O no hydrogen 2.971 N/A VAL 318.A N ASP 314.A O no hydrogen 3.106 N/A GLY 319.A N ALA 315.A O no hydrogen 2.796 N/A PHE 320.A N SER 354.A OG no hydrogen 2.895 N/A TYR 321.A N VAL 444.A O no hydrogen 3.316 N/A ARG 322.A N GLN 443.A O no hydrogen 3.226 N/A THR 326.A N SER 357.A O no hydrogen 3.156 N/A LEU 328.A N ARG 359.A O no hydrogen 3.085 N/A ALA 329.A N ALA 387.A O no hydrogen 3.087 N/A LEU 330.A N HIS 361.A O no hydrogen 3.240 N/A LEU 331.A N LEU 389.A O no hydrogen 2.817 N/A ARG 332.A NE GLY 338.A O no hydrogen 2.976 N/A ARG 332.A NH2 ASP 334.A OD1 no hydrogen 2.725 N/A ARG 332.A NH2 ASP 334.A OD2 no hydrogen 2.706 N/A LEU 333.A N LEU 391.A O no hydrogen 2.739 N/A TRP 339.A NE1 HIS 361.A O no hydrogen 3.109 N/A LEU 343.A N PRO 340.A O no hydrogen 3.094 N/A ARG 344.A N PRO 340.A O no hydrogen 3.205 N/A ARG 345.A N GLU 341.A O no hydrogen 2.802 N/A ALA 346.A N PHE 342.A O no hydrogen 3.008 N/A LEU 347.A N LEU 343.A O no hydrogen 3.110 N/A LEU 348.A N ARG 344.A O no hydrogen 2.918 N/A ARG 349.A N ARG 345.A O no hydrogen 2.781 N/A ALA 350.A N ALA 346.A O no hydrogen 3.164 N/A PHE 351.A N LEU 347.A O no hydrogen 2.887 N/A GLY 352.A N LEU 348.A O no hydrogen 2.720 N/A ALA 353.A N ARG 349.A O no hydrogen 3.168 N/A SER 354.A N ALA 350.A O no hydrogen 3.355 N/A SER 354.A OG ALA 350.A O no hydrogen 2.589 N/A GLY 355.A N GLY 352.A O no hydrogen 2.775 N/A ARG 359.A N THR 326.A O no hydrogen 3.215 N/A ARG 359.A NH2 GLU 383.A O no hydrogen 2.832 N/A HIS 361.A N LEU 328.A O no hydrogen 3.128 N/A HIS 361.A ND1 GLU 383.A OE1 no hydrogen 3.201 N/A LEU 363.A N LEU 330.A O no hydrogen 2.843 N/A HIS 366.A N GLN 369.A OE1 no hydrogen 2.977 N/A SER 368.A N HIS 366.A ND1 no hydrogen 2.943 N/A GLN 369.A N HIS 366.A O no hydrogen 3.055 N/A GLY 370.A N PRO 367.A O no hydrogen 2.957 N/A PHE 373.A N GLY 370.A O no hydrogen 2.736 N/A GLU 375.A N LEU 371.A O no hydrogen 3.010 N/A ALA 376.A N ALA 372.A O no hydrogen 3.094 N/A LEU 377.A N PHE 373.A O no hydrogen 3.125 N/A ARG 378.A N ARG 374.A O no hydrogen 2.811 N/A ARG 378.A NE GLU 375.A OE1 no hydrogen 3.529 N/A ARG 378.A NE GLU 375.A OE2 no hydrogen 3.445 N/A ARG 378.A NH2 GLU 375.A OE2 no hydrogen 2.983 N/A LYS 379.A N GLU 375.A O no hydrogen 3.151 N/A ALA 380.A N ALA 376.A O no hydrogen 3.049 N/A LYS 381.A N LEU 377.A O no hydrogen 2.973 N/A LYS 381.A NZ VAL 385.A O no hydrogen 3.490 N/A GLU 382.A N ARG 378.A O no hydrogen 3.108 N/A GLU 383.A N LYS 379.A O no hydrogen 2.887 N/A GLU 383.A N ALA 380.A O no hydrogen 3.082 N/A GLY 384.A N LYS 381.A O no hydrogen 2.969 N/A VAL 385.A N ALA 380.A O no hydrogen 2.993 N/A GLN 386.A N ALA 327.A O no hydrogen 2.884 N/A VAL 388.A N PRO 413.A O no hydrogen 3.181 N/A LEU 389.A N ALA 329.A O no hydrogen 2.916 N/A VAL 390.A N GLN 415.A O no hydrogen 2.760 N/A LEU 391.A N LEU 331.A O no hydrogen 2.826 N/A THR 392.A N LEU 417.A O no hydrogen 3.411 N/A THR 392.A OG1 PRO 393.A O no hydrogen 2.834 N/A ARG 400.A N ALA 396.A O no hydrogen 2.739 N/A ARG 400.A NH1 ASN 401.A OD1 no hydrogen 3.403 N/A ARG 400.A NH1 GLU 644.A OE1 no hydrogen 2.967 N/A ARG 400.A NH1 GLU 644.A OE2 no hydrogen 3.383 N/A ASN 401.A N TRP 397.A O no hydrogen 2.824 N/A ARG 402.A N GLU 398.A O no hydrogen 3.179 N/A ARG 402.A NH1 ASP 399.A OD1 no hydrogen 3.058 N/A ARG 402.A NH2 GLU 398.A OE1 no hydrogen 3.020 N/A LEU 403.A N ASP 399.A O no hydrogen 2.988 N/A LYS 404.A N ARG 400.A O no hydrogen 3.002 N/A LYS 404.A NZ GLU 644.A OE2 no hydrogen 3.384 N/A ALA 405.A N ASN 401.A O no hydrogen 3.037 N/A LEU 406.A N ARG 402.A O no hydrogen 2.884 N/A LEU 407.A N LEU 403.A O no hydrogen 3.027 N/A LEU 408.A N LYS 404.A O no hydrogen 3.048 N/A ARG 409.A N ALA 405.A O no hydrogen 3.071 N/A ARG 409.A N LEU 406.A O no hydrogen 3.042 N/A ARG 409.A NH1 HIS 652.A ND1 no hydrogen 3.010 N/A GLU 410.A N LEU 407.A O no hydrogen 2.860 N/A GLY 411.A N LEU 408.A O no hydrogen 2.885 N/A LEU 412.A N LEU 407.A O no hydrogen 3.041 N/A GLN 415.A N VAL 388.A O no hydrogen 2.956 N/A GLN 415.A NE2 ILE 416.A O no hydrogen 2.814 N/A LEU 417.A N VAL 390.A O no hydrogen 2.874 N/A VAL 419.A N THR 392.A O no hydrogen 2.602 N/A ARG 422.A N GLU 425.A OE2 no hydrogen 2.982 N/A GLU 424.A N GLU 424.A OE1 no hydrogen 3.119 N/A GLU 425.A N ARG 422.A O no hydrogen 2.892 N/A TRP 429.A N GLU 425.A O no hydrogen 3.417 N/A TRP 429.A NE1 GLU 423.A O no hydrogen 2.868 N/A GLU 430.A N ARG 426.A O no hydrogen 3.098 N/A ASN 431.A N HIS 427.A O no hydrogen 3.304 N/A ASN 431.A ND2 SER 624.A O no hydrogen 3.657 N/A ALA 432.A N ARG 428.A O no hydrogen 2.950 N/A LEU 433.A N TRP 429.A O no hydrogen 2.744 N/A LEU 434.A N GLU 430.A O no hydrogen 2.799 N/A GLY 435.A N ASN 431.A O no hydrogen 2.862 N/A LEU 436.A N ALA 432.A O no hydrogen 2.765 N/A LEU 437.A N LEU 433.A O no hydrogen 2.832 N/A ALA 438.A N LEU 434.A O no hydrogen 2.914 N/A LYS 439.A N GLY 435.A O no hydrogen 2.966 N/A LYS 439.A NZ PHE 662.A O no hydrogen 3.477 N/A LYS 439.A NZ VAL 664.A O no hydrogen 2.939 N/A ALA 440.A N LEU 436.A O no hydrogen 2.902 N/A GLY 441.A N LEU 437.A O no hydrogen 3.142 N/A GLY 441.A N ALA 438.A O no hydrogen 3.016 N/A LEU 442.A N LEU 437.A O no hydrogen 3.235 N/A GLN 443.A NE2 GLY 481.A O no hydrogen 2.811 N/A ALA 446.A N MET 304.A O no hydrogen 3.013 N/A LEU 447.A N GLY 480.A O no hydrogen 3.211 N/A SER 448.A N LYS 302.A O no hydrogen 2.685 N/A TYR 451.A OH HIS 616.A ND1 no hydrogen 2.673 N/A ALA 453.A N GLN 613.A OE1 no hydrogen 3.315 N/A GLU 454.A N ARG 522.A O no hydrogen 3.090 N/A ALA 456.A N ALA 475.A O no hydrogen 3.167 N/A VAL 457.A N LEU 524.A O no hydrogen 3.090 N/A GLY 458.A N ALA 473.A O no hydrogen 2.831 N/A PHE 459.A N LEU 526.A O no hydrogen 2.776 N/A ASN 460.A N GLY 471.A O no hydrogen 3.030 N/A ALA 461.A N ASN 460.A OD1 no hydrogen 2.693 N/A GLY 462.A N PHE 469.A O no hydrogen 2.474 N/A ARG 468.A N GLN 491.A O no hydrogen 2.722 N/A ARG 468.A NH2 GLU 494.A OE1 no hydrogen 2.697 N/A GLY 470.A N GLU 489.A O no hydrogen 2.895 N/A GLY 471.A N ASN 460.A O no hydrogen 2.904 N/A ALA 473.A N GLY 458.A O no hydrogen 3.242 N/A CYS 474.A N LEU 484.A O no hydrogen 2.947 N/A CYS 474.A SG LEU 484.A O no hydrogen 3.815 N/A ALA 475.A N ALA 456.A O no hydrogen 2.904 N/A VAL 476.A N HIS 482.A O no hydrogen 2.934 N/A GLY 480.A N GLY 477.A O no hydrogen 3.478 N/A GLY 481.A N GLY 477.A O no hydrogen 2.923 N/A LEU 484.A N CYS 474.A O no hydrogen 3.039 N/A TRP 485.A N ARG 658.A O no hydrogen 3.106 N/A TRP 485.A NE1 LYS 660.A O no hydrogen 2.880 N/A THR 486.A N ALA 472.A O no hydrogen 3.263 N/A THR 486.A OG1 ALA 472.A O no hydrogen 2.720 N/A GLU 489.A N GLY 470.A O no hydrogen 3.095 N/A GLN 491.A N ARG 468.A O no hydrogen 2.721 N/A ARG 495.A NH1 GLN 533.A O no hydrogen 3.225 N/A ARG 495.A NH2 GLN 533.A O no hydrogen 2.520 N/A ILE 496.A N GLU 535.A OE1 no hydrogen 2.764 N/A VAL 500.A N PRO 497.A O no hydrogen 2.852 N/A VAL 501.A N PRO 497.A O no hydrogen 3.104 N/A TRP 502.A N GLN 498.A O no hydrogen 3.223 N/A ASP 503.A N GLU 499.A O no hydrogen 2.983 N/A LEU 504.A N VAL 500.A O no hydrogen 2.811 N/A LEU 505.A N VAL 501.A O no hydrogen 2.907 N/A GLU 506.A N TRP 502.A O no hydrogen 2.751 N/A GLU 507.A N ASP 503.A O no hydrogen 3.080 N/A THR 508.A N LEU 504.A O no hydrogen 3.317 N/A THR 508.A OG1 LEU 505.A O no hydrogen 2.667 N/A LEU 509.A N LEU 505.A O no hydrogen 2.826 N/A TRP 510.A N GLU 506.A O no hydrogen 2.755 N/A ALA 511.A N GLU 507.A O no hydrogen 2.885 N/A PHE 512.A N THR 508.A O no hydrogen 2.926 N/A ARG 513.A N LEU 509.A O no hydrogen 2.867 N/A ARG 513.A NH1 ARG 513.A O no hydrogen 2.702 N/A ARG 514.A N TRP 510.A O no hydrogen 2.942 N/A ARG 514.A N ALA 511.A O no hydrogen 3.207 N/A LYS 515.A N ALA 511.A O no hydrogen 3.123 N/A LYS 515.A N PHE 512.A O no hydrogen 2.919 N/A ARG 518.A NH1 GLU 454.A OE1 no hydrogen 3.289 N/A ARG 518.A NH1 GLU 454.A OE2 no hydrogen 2.861 N/A ARG 518.A NH1 LEU 519.A O no hydrogen 3.513 N/A ARG 518.A NH2 GLU 454.A OE1 no hydrogen 2.683 N/A SER 521.A N GLU 454.A OE2 no hydrogen 2.921 N/A SER 521.A OG GLU 454.A OE2 no hydrogen 3.202 N/A ARG 522.A NE ASP 551.A OD2 no hydrogen 3.158 N/A VAL 523.A N ALA 549.A O no hydrogen 2.745 N/A LEU 524.A N LEU 455.A O no hydrogen 2.785 N/A LEU 525.A N ASP 551.A O no hydrogen 2.690 N/A LEU 526.A N VAL 457.A O no hydrogen 2.928 N/A ARG 527.A N VAL 553.A O no hydrogen 3.156 N/A ARG 527.A NH1 GLU 535.A OE2 no hydrogen 2.569 N/A ARG 527.A NH2 GLU 494.A O no hydrogen 3.501 N/A ASP 528.A N PHE 459.A O no hydrogen 3.069 N/A GLU 535.A N PRO 532.A O no hydrogen 2.973 N/A ALA 537.A N ASP 534.A O no hydrogen 3.195 N/A LEU 538.A N GLN 498.A OE1 no hydrogen 2.924 N/A LEU 540.A N PHE 536.A O no hydrogen 2.845 N/A GLU 541.A N ALA 537.A O no hydrogen 3.077 N/A ALA 542.A N LEU 538.A O no hydrogen 3.142 N/A LEU 543.A N ALA 539.A O no hydrogen 3.010 N/A ALA 544.A N LEU 540.A O no hydrogen 3.058 N/A ARG 545.A N GLU 541.A O no hydrogen 3.007 N/A GLU 546.A N ALA 542.A O no hydrogen 3.065 N/A GLU 546.A N LEU 543.A O no hydrogen 3.264 N/A GLY 547.A N ALA 544.A O no hydrogen 2.506 N/A ILE 548.A N LEU 543.A O no hydrogen 2.864 N/A ALA 549.A N SER 521.A O no hydrogen 2.899 N/A ASP 551.A N VAL 523.A O no hydrogen 3.183 N/A LEU 552.A N ALA 602.A O no hydrogen 2.868 N/A VAL 553.A N LEU 525.A O no hydrogen 3.067 N/A SER 554.A N VAL 599.A O no hydrogen 2.964 N/A SER 554.A OG GLY 529.A O no hydrogen 3.239 N/A SER 554.A OG GLU 601.A OE2 no hydrogen 3.039 N/A VAL 555.A N ARG 527.A O no hydrogen 2.989 N/A ARG 556.A N LYS 597.A O no hydrogen 2.870 N/A ARG 556.A NH2 SER 554.A OG no hydrogen 3.406 N/A LYS 557.A NZ ASP 528.A OD1 no hydrogen 2.471 N/A LYS 557.A NZ ASP 528.A OD2 no hydrogen 3.091 N/A ARG 562.A NE ASP 165.A OD1 no hydrogen 3.364 N/A ARG 562.A NE ASP 165.A OD2 no hydrogen 3.014 N/A ARG 562.A NH1 THR 592.A O no hydrogen 3.019 N/A ARG 562.A NH1 PRO 593.A O no hydrogen 3.102 N/A TYR 564.A N PHE 7.A O no hydrogen 2.939 N/A GLY 573.A N LEU 586.A O no hydrogen 3.107 N/A TYR 575.A N TYR 296.A O no hydrogen 2.970 N/A TYR 575.A OH GLU 608.A OE1 no hydrogen 2.632 N/A VAL 576.A N LEU 584.A O no hydrogen 3.139 N/A LEU 578.A N THR 582.A O no hydrogen 3.099 N/A THR 582.A N GLU 579.A O no hydrogen 2.972 N/A PHE 583.A N LEU 598.A O no hydrogen 2.973 N/A LEU 584.A N VAL 576.A O no hydrogen 3.136 N/A LEU 585.A N LEU 596.A O no hydrogen 3.129 N/A LEU 586.A N LEU 574.A O no hydrogen 3.028 N/A THR 587.A OG1 ARG 630.A O no hydrogen 2.822 N/A THR 592.A OG1 LEU 263.A O no hydrogen 3.362 N/A LEU 596.A N LEU 585.A O no hydrogen 2.959 N/A LYS 597.A N ARG 556.A O no hydrogen 3.077 N/A LEU 598.A N PHE 583.A O no hydrogen 2.871 N/A VAL 599.A N SER 554.A O no hydrogen 2.962 N/A HIS 600.A N LYS 581.A O no hydrogen 2.818 N/A GLU 601.A N LEU 552.A O no hydrogen 3.061 N/A THR 605.A N ASP 551.A OD1 no hydrogen 3.240 N/A THR 605.A OG1 ASP 551.A OD1 no hydrogen 3.182 N/A THR 605.A OG1 ASP 551.A OD2 no hydrogen 2.661 N/A ALA 609.A N PRO 606.A O no hydrogen 2.858 N/A LEU 610.A N PRO 606.A O no hydrogen 3.343 N/A ALA 611.A N LEU 607.A O no hydrogen 2.812 N/A HIS 612.A N ALA 609.A O no hydrogen 2.900 N/A GLN 613.A N ALA 609.A O no hydrogen 3.026 N/A GLN 613.A NE2 ALA 453.A O no hydrogen 2.840 N/A ILE 614.A N LEU 610.A O no hydrogen 3.028 N/A PHE 615.A N ALA 611.A O no hydrogen 3.244 N/A HIS 616.A N HIS 612.A O no hydrogen 3.031 N/A HIS 616.A ND1 TYR 451.A OH no hydrogen 2.673 N/A HIS 616.A NE2 SER 299.A O no hydrogen 2.569 N/A LEU 617.A N GLN 613.A O no hydrogen 2.712 N/A THR 618.A N ILE 614.A O no hydrogen 3.141 N/A THR 618.A N PHE 615.A O no hydrogen 3.029 N/A ARG 619.A N HIS 616.A O no hydrogen 2.693 N/A ARG 619.A NH2 ASP 572.A OD1 no hydrogen 2.823 N/A ARG 619.A NH2 THR 587.A O no hydrogen 3.422 N/A LEU 620.A N LEU 617.A O no hydrogen 3.112 N/A SER 624.A OG ALA 627.A O no hydrogen 2.553 N/A PHE 626.A N SER 624.A O no hydrogen 2.582 N/A ALA 633.A N LEU 617.A O no hydrogen 3.019 N/A LEU 635.A N PRO 632.A O no hydrogen 2.996 N/A HIS 636.A N PRO 632.A O no hydrogen 2.958 N/A LEU 637.A N ALA 633.A O no hydrogen 2.766 N/A ALA 638.A N PRO 634.A O no hydrogen 3.194 N/A ASP 639.A N LEU 635.A O no hydrogen 2.900 N/A ARG 640.A N HIS 636.A O no hydrogen 3.125 N/A ARG 640.A NE ASP 639.A OD1 no hydrogen 3.309 N/A LEU 641.A N LEU 637.A O no hydrogen 2.830 N/A VAL 642.A N ALA 638.A O no hydrogen 2.946 N/A LYS 643.A N ASP 639.A O no hydrogen 3.060 N/A LYS 643.A NZ ASP 639.A OD1 no hydrogen 3.484 N/A GLU 644.A N ARG 640.A O no hydrogen 2.891 N/A VAL 645.A N LEU 641.A O no hydrogen 3.050 N/A GLY 646.A N LYS 643.A O no hydrogen 3.047 N/A ARG 647.A N LYS 643.A O no hydrogen 2.926 N/A ARG 647.A NE GLU 644.A OE1 no hydrogen 3.551 N/A LEU 648.A N GLU 644.A O no hydrogen 3.034 N/A GLY 649.A N VAL 645.A O no hydrogen 2.969 N/A LEU 653.A N ILE 650.A O no hydrogen 3.207 N/A VAL 656.A N LEU 653.A O no hydrogen 2.890 N/A LYS 660.A N ASP 657.A O no hydrogen 2.725 N/A LYS 660.A NZ GLN 386.A O no hydrogen 3.129 N/A LEU 661.A N ALA 438.A O no hydrogen 3.206 N/A PHE 662.A N LYS 660.A O no hydrogen 2.691 N/A VAL 664.A N LEU 661.A O no hydrogen 3.237 N/A