Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bny_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 73.A OE2 no hydrogen 3.206 N/A SER 3.A OG THR 74.A OG1 no hydrogen 3.052 N/A HIS 7.A ND1 ARG 27.A O no hydrogen 2.661 N/A TRP 9.A N GLN 2.A O no hydrogen 3.470 N/A ASP 13.A N LEU 10.A O no hydrogen 3.426 N/A LEU 15.A N VAL 23.A O no hydrogen 3.158 N/A THR 20.A OG1 ALA 19.A O no hydrogen 2.546 N/A ALA 21.A N THR 20.A OG1 no hydrogen 2.346 N/A VAL 23.A N GLY 16.A O no hydrogen 3.097 N/A PHE 24.A N ILE 37.A O no hydrogen 2.879 N/A GLY 26.A N PHE 35.A O no hydrogen 2.814 N/A ARG 27.A N LEU 8.A O no hydrogen 2.847 N/A HIS 28.A ND1 THR 31.A OG1 no hydrogen 2.821 N/A LYS 29.A NZ SER 5.A O no hydrogen 2.543 N/A LYS 30.A N HIS 28.A O no hydrogen 2.626 N/A THR 31.A OG1 HIS 28.A ND1 no hydrogen 2.821 N/A PHE 35.A N GLY 26.A O no hydrogen 2.772 N/A ALA 36.A N MET 83.A O no hydrogen 3.016 N/A ILE 37.A N PHE 24.A O no hydrogen 3.044 N/A LYS 38.A N LEU 81.A O no hydrogen 2.780 N/A LYS 38.A NZ ASP 154.A OD1 no hydrogen 3.259 N/A VAL 39.A N ASN 22.A O no hydrogen 3.100 N/A ILE 43.A N ASN 41.A O no hydrogen 2.887 N/A SER 44.A OG ASN 42.A OD1 no hydrogen 2.247 N/A ARG 51.A N ASP 47.A O no hydrogen 3.048 N/A ARG 51.A N VAL 48.A O no hydrogen 3.169 N/A GLU 52.A N VAL 48.A O no hydrogen 2.921 N/A PHE 53.A N GLN 49.A O no hydrogen 3.074 N/A VAL 55.A N ARG 51.A O no hydrogen 3.120 N/A LYS 57.A N GLU 54.A O no hydrogen 3.204 N/A LEU 59.A N VAL 55.A O no hydrogen 3.403 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 3.004 N/A ASN 63.A ND2 TYR 150.A O no hydrogen 3.640 N/A VAL 65.A N LEU 152.A O no hydrogen 2.886 N/A LYS 66.A NZ LYS 57.A O no hydrogen 2.682 N/A PHE 68.A N ILE 82.A O no hydrogen 3.203 N/A GLU 71.A N VAL 80.A O no hydrogen 2.941 N/A GLU 73.A N HIS 78.A O no hydrogen 3.016 N/A THR 74.A N SER 3.A O no hydrogen 3.181 N/A THR 74.A OG1 SER 3.A O no hydrogen 3.374 N/A THR 74.A OG1 SER 3.A OG no hydrogen 3.052 N/A THR 74.A OG1 GLU 73.A OE2 no hydrogen 2.791 N/A THR 75.A N GLU 73.A OE2 no hydrogen 3.511 N/A THR 75.A OG1 GLU 73.A OE1 no hydrogen 2.825 N/A THR 76.A N GLU 73.A OE1 no hydrogen 2.655 N/A THR 76.A OG1 GLU 73.A OE1 no hydrogen 2.954 N/A ARG 77.A N GLU 73.A O no hydrogen 3.224 N/A ARG 77.A NE GLU 73.A O no hydrogen 2.751 N/A ARG 77.A NH2 GLU 73.A O no hydrogen 2.765 N/A VAL 80.A N GLU 71.A O no hydrogen 2.956 N/A LEU 81.A N LYS 38.A O no hydrogen 2.952 N/A ILE 82.A N ALA 69.A O no hydrogen 3.237 N/A MET 83.A N ALA 36.A O no hydrogen 2.747 N/A GLU 84.A N LYS 66.A O no hydrogen 3.290 N/A CYS 86.A SG GLU 84.A O no hydrogen 3.469 N/A GLY 89.A N CYS 86.A O no hydrogen 3.124 N/A SER 90.A N THR 93.A OG1 no hydrogen 3.239 N/A SER 90.A OG THR 93.A OG1 no hydrogen 3.166 N/A LEU 91.A N ILE 138.A O no hydrogen 2.543 N/A TYR 92.A N PRO 135.A O no hydrogen 3.161 N/A THR 93.A N SER 90.A O no hydrogen 2.973 N/A THR 93.A OG1 SER 90.A OG no hydrogen 3.166 N/A VAL 94.A N SER 90.A O no hydrogen 3.398 N/A LEU 95.A N LEU 91.A O no hydrogen 3.103 N/A GLU 96.A N THR 93.A O no hydrogen 3.116 N/A GLU 97.A N VAL 94.A O no hydrogen 3.279 N/A SER 99.A OG ASN 100.A OD1 no hydrogen 3.349 N/A ASN 100.A N GLU 97.A O no hydrogen 3.079 N/A ASN 100.A ND2 VAL 94.A O no hydrogen 2.721 N/A ALA 101.A N PRO 98.A O no hydrogen 3.090 N/A GLY 103.A N ASN 100.A O no hydrogen 3.308 N/A LEU 104.A N ALA 180.A O no hydrogen 2.899 N/A PHE 109.A N PRO 105.A O no hydrogen 2.919 N/A LEU 110.A N GLU 106.A O no hydrogen 3.269 N/A ILE 111.A N SER 107.A O no hydrogen 3.129 N/A VAL 112.A N GLU 108.A O no hydrogen 2.955 N/A LEU 113.A N PHE 109.A O no hydrogen 2.991 N/A ARG 114.A N LEU 110.A O no hydrogen 2.941 N/A ASP 115.A N ILE 111.A O no hydrogen 3.062 N/A VAL 116.A N VAL 112.A O no hydrogen 2.771 N/A VAL 117.A N LEU 113.A O no hydrogen 3.143 N/A GLY 118.A N ARG 114.A O no hydrogen 3.018 N/A GLY 119.A N ASP 115.A O no hydrogen 2.923 N/A MET 120.A N VAL 116.A O no hydrogen 3.012 N/A ASN 121.A N VAL 117.A O no hydrogen 2.913 N/A ASN 121.A ND2 GLU 125.A OE2 no hydrogen 3.118 N/A HIS 122.A N GLY 118.A O no hydrogen 3.153 N/A LEU 123.A N GLY 119.A O no hydrogen 3.031 N/A ARG 124.A N MET 120.A O no hydrogen 2.911 N/A GLU 125.A N ASN 121.A O no hydrogen 2.939 N/A ASN 126.A N LEU 123.A O no hydrogen 3.099 N/A ASN 126.A ND2 HIS 122.A O no hydrogen 2.647 N/A GLY 127.A N ARG 124.A O no hydrogen 3.118 N/A ILE 128.A N LEU 123.A O no hydrogen 2.945 N/A ASP 132.A N HIS 130.A O no hydrogen 2.400 N/A ILE 138.A N PRO 135.A O no hydrogen 3.316 N/A MET 139.A N LYS 151.A O no hydrogen 2.861 N/A ARG 140.A N GLY 89.A O no hydrogen 3.161 N/A VAL 141.A N VAL 149.A O no hydrogen 2.817 N/A SER 148.A OG GLU 108.A OE1 no hydrogen 3.396 N/A SER 148.A OG GLN 147.A O no hydrogen 2.536 N/A VAL 149.A N VAL 141.A O no hydrogen 2.778 N/A TYR 150.A N ASP 115.A OD2 no hydrogen 3.271 N/A LYS 151.A N MET 139.A O no hydrogen 2.995 N/A LYS 151.A NZ GLU 84.A OE1 no hydrogen 3.102 N/A LYS 151.A NZ GLU 84.A OE2 no hydrogen 2.978 N/A LEU 152.A N ASN 63.A O no hydrogen 2.969 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.405 N/A TYR 160.A N THR 157.A O no hydrogen 3.367 N/A HIS 162.A ND1 ASP 164.A OD2 no hydrogen 2.652 N/A ASP 164.A N HIS 162.A ND1 no hydrogen 3.068 N/A MET 165.A N HIS 162.A O no hydrogen 3.106 N/A SER 172.A OG ARG 131.A O no hydrogen 3.004 N/A GLY 174.A N LEU 170.A O no hydrogen 3.181 N/A VAL 175.A N TRP 171.A O no hydrogen 3.133 N/A THR 176.A N SER 172.A O no hydrogen 2.992 N/A THR 176.A OG1 SER 172.A O no hydrogen 3.064 N/A THR 176.A OG1 ILE 173.A O no hydrogen 2.797 N/A PHE 177.A N ILE 173.A O no hydrogen 3.066 N/A TYR 178.A N GLY 174.A O no hydrogen 3.016 N/A HIS 179.A N VAL 175.A O no hydrogen 2.891 N/A HIS 179.A ND1 TYR 160.A OH no hydrogen 2.727 N/A ALA 180.A N THR 176.A O no hydrogen 2.700 N/A ALA 181.A N PHE 177.A O no hydrogen 2.713 N/A THR 182.A N TYR 178.A O no hydrogen 3.073 N/A ARG 188.A N GLY 214.A O no hydrogen 2.845 N/A ARG 188.A NH1 LEU 185.A O no hydrogen 2.479 N/A PHE 190.A N GLN 216.A OE1 no hydrogen 2.538 N/A ARG 195.A NH2 GLU 219.A OE2 no hydrogen 2.999 N/A MET 200.A N ASN 196.A O no hydrogen 3.048 N/A TYR 201.A N LYS 197.A O no hydrogen 3.206 N/A LYS 202.A N GLU 198.A O no hydrogen 3.275 N/A ILE 203.A N VAL 199.A O no hydrogen 3.119 N/A ILE 203.A N MET 200.A O no hydrogen 3.008 N/A ILE 204.A N MET 200.A O no hydrogen 2.965 N/A THR 205.A N TYR 201.A O no hydrogen 3.045 N/A LYS 207.A NZ LEU 251.A O no hydrogen 2.517 N/A SER 209.A OG LYS 207.A O no hydrogen 3.204 N/A ILE 212.A N SER 226.A O no hydrogen 2.784 N/A SER 213.A N SER 226.A O no hydrogen 3.255 N/A SER 213.A OG SER 226.A O no hydrogen 3.442 N/A VAL 215.A N ASP 224.A O no hydrogen 3.032 N/A GLN 216.A N ARG 188.A O no hydrogen 3.395 N/A GLN 216.A NE2 GLY 221.A O no hydrogen 3.220 N/A ASN 220.A ND2 ASN 220.A O no hydrogen 2.617 N/A ASP 224.A N VAL 215.A O no hydrogen 2.837 N/A SER 226.A N SER 213.A O no hydrogen 3.345 N/A SER 226.A OG ASP 228.A O no hydrogen 3.375 N/A CYS 233.A SG ALA 181.A O no hydrogen 3.328 N/A SER 236.A N GLU 106.A OE1 no hydrogen 2.984 N/A SER 236.A OG GLU 106.A OE1 no hydrogen 3.129 N/A SER 236.A OG GLU 106.A OE2 no hydrogen 2.426 N/A ARG 237.A NH1 ASP 228.A OD2 no hydrogen 2.585 N/A LEU 239.A N SER 236.A O no hydrogen 2.834 N/A GLN 240.A N SER 236.A O no hydrogen 3.087 N/A GLN 240.A NE2 LEU 235.A O no hydrogen 2.463 N/A VAL 241.A N ARG 237.A O no hydrogen 3.164 N/A LEU 243.A N GLN 240.A O no hydrogen 3.217 N/A THR 244.A N GLN 240.A O no hydrogen 2.915 N/A THR 244.A OG1 GLN 240.A O no hydrogen 3.312 N/A LEU 247.A N LEU 243.A O no hydrogen 3.483 N/A ALA 248.A N THR 244.A O no hydrogen 2.974 N/A ILE 250.A N VAL 246.A O no hydrogen 3.209 N/A ILE 250.A N LEU 247.A O no hydrogen 3.276 N/A LEU 251.A N LEU 247.A O no hydrogen 3.107 N/A LYS 257.A N ASP 254.A O no hydrogen 3.241 N/A LYS 257.A N ASP 254.A OD2 no hydrogen 2.736 N/A CYS 258.A SG ASN 249.A O no hydrogen 3.579 N/A CYS 258.A SG ILE 250.A O no hydrogen 3.738 N/A CYS 258.A SG GLU 252.A O no hydrogen 3.987 N/A CYS 258.A SG TRP 259.A O no hydrogen 3.778 N/A PHE 264.A N GLY 260.A O no hydrogen 2.845 N/A PHE 265.A N PHE 261.A O no hydrogen 2.620 N/A ALA 266.A N ASP 262.A O no hydrogen 3.101 N/A ALA 266.A N GLN 263.A O no hydrogen 3.242 N/A GLU 267.A N GLN 263.A O no hydrogen 2.982 N/A THR 268.A N PHE 264.A O no hydrogen 2.995 N/A THR 268.A OG1 PHE 264.A O no hydrogen 2.693 N/A SER 269.A N PHE 265.A O no hydrogen 3.223 N/A SER 269.A OG PHE 265.A O no hydrogen 2.790 N/A SER 269.A OG ALA 266.A O no hydrogen 2.822 N/A ASP 270.A N ALA 266.A O no hydrogen 3.096 N/A ILE 271.A N GLU 267.A O no hydrogen 3.169 N/A LEU 272.A N THR 268.A O no hydrogen 2.932 N/A HIS 273.A N SER 269.A O no hydrogen 2.737 N/A ARG 274.A N ILE 271.A O no hydrogen 3.439 N/A ARG 274.A NE ASP 270.A OD1 no hydrogen 2.922 N/A ARG 274.A NH1 TYR 291.A O no hydrogen 2.419 N/A ARG 274.A NH2 ASP 270.A OD1 no hydrogen 3.438 N/A MET 275.A N ILE 292.A O no hydrogen 2.978 N/A ILE 277.A N ILE 290.A O no hydrogen 3.069 N/A VAL 279.A N HIS 288.A O no hydrogen 3.071 N/A PHE 280.A N ILE 345.A O no hydrogen 2.700 N/A SER 281.A N THR 286.A O no hydrogen 2.820 N/A SER 281.A OG GLN 284.A OE1 no hydrogen 3.455 N/A LEU 282.A N VAL 347.A O no hydrogen 3.170 N/A GLN 283.A NE2 GLU 351.A O no hydrogen 3.032 N/A GLN 284.A NE2 THR 309.A O no hydrogen 3.661 N/A GLN 284.A NE2 ASN 354.A O no hydrogen 3.680 N/A THR 286.A N SER 281.A O no hydrogen 3.245 N/A THR 286.A OG1 HIS 288.A NE2 no hydrogen 2.602 N/A ALA 287.A N TYR 401.A OH no hydrogen 3.099 N/A HIS 288.A N VAL 279.A O no hydrogen 2.657 N/A HIS 288.A NE2 THR 286.A OG1 no hydrogen 2.602 N/A ILE 290.A N ILE 277.A O no hydrogen 2.969 N/A TYR 291.A OH GLU 106.A OE2 no hydrogen 2.323 N/A ILE 292.A N MET 275.A O no hydrogen 2.994 N/A HIS 293.A N ASN 296.A OD1 no hydrogen 2.985 N/A HIS 293.A NE2 ASP 270.A OD1 no hydrogen 2.791 N/A ASN 296.A N HIS 293.A O no hydrogen 3.239 N/A THR 297.A OG1 PRO 329.A O no hydrogen 2.268 N/A PHE 301.A N THR 297.A O no hydrogen 3.356 N/A HIS 302.A N ALA 298.A O no hydrogen 2.907 N/A GLU 303.A N THR 299.A O no hydrogen 3.031 N/A LEU 304.A N ILE 300.A O no hydrogen 2.885 N/A VAL 305.A N PHE 301.A O no hydrogen 3.138 N/A TYR 306.A N HIS 302.A O no hydrogen 2.993 N/A LYS 307.A N GLU 303.A O no hydrogen 2.895 N/A GLN 308.A N VAL 305.A O no hydrogen 3.137 N/A GLN 308.A NE2 LYS 289.A O no hydrogen 2.916 N/A THR 309.A N VAL 305.A O no hydrogen 2.878 N/A THR 309.A OG1 GLN 284.A OE1 no hydrogen 2.288 N/A LYS 310.A N TYR 306.A O no hydrogen 2.946 N/A ASN 315.A N ILE 312.A O no hydrogen 3.276 N/A GLU 317.A N VAL 348.A O no hydrogen 2.897 N/A ILE 319.A N PHE 346.A O no hydrogen 2.874 N/A TYR 320.A N ARG 323.A O no hydrogen 2.802 N/A TYR 320.A OH LYS 338.A O no hydrogen 2.984 N/A ARG 323.A N TYR 320.A O no hydrogen 3.057 N/A ARG 324.A NE GLU 317.A OE2 no hydrogen 2.746 N/A ARG 324.A NH2 GLU 317.A OE2 no hydrogen 2.970 N/A ARG 324.A NH2 ASP 419.A OD2 no hydrogen 2.949 N/A LEU 325.A N LEU 318.A O no hydrogen 2.834 N/A ARG 331.A N GLU 328.A O no hydrogen 3.428 N/A ARG 331.A NH2 HIS 335.A O no hydrogen 2.923 N/A ALA 333.A N ASN 296.A O no hydrogen 2.834 N/A GLN 334.A N SER 294.A O no hydrogen 3.109 N/A HIS 335.A N LEU 332.A O no hydrogen 3.238 N/A PHE 336.A N ALA 333.A O no hydrogen 3.284 N/A THR 339.A OG1 VAL 276.A O no hydrogen 3.426 N/A THR 340.A N ASN 343.A O no hydrogen 3.351 N/A ASN 343.A N THR 340.A O no hydrogen 3.254 N/A ILE 345.A N HIS 278.A O no hydrogen 2.857 N/A PHE 346.A N ILE 319.A O no hydrogen 2.948 N/A VAL 347.A N PHE 280.A O no hydrogen 3.160 N/A VAL 348.A N GLU 317.A O no hydrogen 2.999 N/A SER 349.A N GLN 283.A OE1 no hydrogen 2.652 N/A SER 349.A OG GLU 351.A OE1 no hydrogen 3.291 N/A ARG 350.A NE GLU 317.A OE1 no hydrogen 3.539 N/A THR 355.A OG1 GLN 283.A O no hydrogen 2.527 N/A GLY 357.A N GLN 284.A O no hydrogen 3.072 N/A LEU 358.A N TYR 561.A OH no hydrogen 3.101 N/A GLU 361.A N TYR 390.A OH no hydrogen 3.091 N/A GLY 376.A N ASP 373.A OD1 no hydrogen 2.861 N/A ASP 377.A N ASP 373.A O no hydrogen 2.715 N/A ALA 378.A N LEU 374.A O no hydrogen 2.690 N/A SER 379.A N ASP 375.A O no hydrogen 2.897 N/A MET 380.A N GLY 376.A O no hydrogen 2.807 N/A ALA 381.A N ASP 377.A O no hydrogen 2.885 N/A LYS 382.A N ALA 378.A O no hydrogen 3.082 N/A ALA 383.A N SER 379.A O no hydrogen 3.308 N/A ILE 384.A N MET 380.A O no hydrogen 3.010 N/A THR 385.A N ALA 381.A O no hydrogen 3.062 N/A THR 385.A OG1 ALA 381.A O no hydrogen 2.627 N/A GLY 386.A N LYS 382.A O no hydrogen 3.289 N/A VAL 387.A N ALA 383.A O no hydrogen 3.075 N/A VAL 387.A N ILE 384.A O no hydrogen 3.175 N/A VAL 388.A N ILE 384.A O no hydrogen 3.182 N/A CYS 389.A N THR 385.A O no hydrogen 2.978 N/A CYS 389.A SG PRO 98.A O no hydrogen 3.734 N/A TYR 390.A N GLY 386.A O no hydrogen 2.957 N/A ALA 391.A N VAL 387.A O no hydrogen 2.939 N/A CYS 392.A N VAL 388.A O no hydrogen 2.947 N/A CYS 392.A SG VAL 388.A O no hydrogen 3.393 N/A ARG 393.A N CYS 389.A O no hydrogen 3.098 N/A ARG 393.A NH2 SER 99.A O no hydrogen 3.085 N/A ILE 394.A N TYR 390.A O no hydrogen 2.873 N/A ALA 395.A N ALA 391.A O no hydrogen 2.816 N/A SER 396.A N CYS 392.A O no hydrogen 2.902 N/A THR 397.A N ARG 393.A O no hydrogen 3.074 N/A THR 397.A OG1 ARG 393.A O no hydrogen 2.409 N/A LEU 398.A N ILE 394.A O no hydrogen 2.815 N/A LEU 399.A N ALA 395.A O no hydrogen 2.964 N/A LEU 400.A N SER 396.A O no hydrogen 3.016 N/A TYR 401.A N THR 397.A O no hydrogen 2.981 N/A GLN 402.A N LEU 398.A O no hydrogen 3.089 N/A GLU 403.A N LEU 399.A O no hydrogen 2.994 N/A LEU 404.A N LEU 400.A O no hydrogen 2.831 N/A MET 405.A N TYR 401.A O no hydrogen 2.897 N/A ARG 406.A N GLN 402.A O no hydrogen 3.024 N/A ARG 406.A NE ALA 489.A O no hydrogen 2.493 N/A ARG 406.A NH1 THR 494.A O no hydrogen 3.044 N/A ARG 406.A NH2 ALA 489.A O no hydrogen 3.557 N/A ARG 406.A NH2 THR 494.A O no hydrogen 3.079 N/A LYS 407.A N GLU 403.A O no hydrogen 3.072 N/A LYS 407.A NZ GLU 342.A O no hydrogen 3.474 N/A GLY 408.A N LEU 404.A O no hydrogen 2.853 N/A ILE 409.A N MET 405.A O no hydrogen 2.860 N/A ARG 410.A N ARG 406.A O no hydrogen 2.997 N/A TRP 411.A N LYS 407.A O no hydrogen 2.931 N/A LEU 412.A N GLY 408.A O no hydrogen 2.890 N/A ILE 413.A N ILE 409.A O no hydrogen 3.040 N/A LEU 415.A N TRP 411.A O no hydrogen 2.828 N/A LEU 415.A N LEU 412.A O no hydrogen 3.164 N/A ILE 416.A N LEU 412.A O no hydrogen 2.928 N/A LYS 417.A N ILE 413.A O no hydrogen 2.966 N/A ASP 419.A N LEU 415.A O no hydrogen 3.215 N/A TYR 420.A N ILE 416.A O no hydrogen 2.760 N/A TYR 420.A OH LEU 471.A O no hydrogen 2.649 N/A ASN 421.A N LYS 417.A O no hydrogen 2.813 N/A GLU 422.A N ASP 418.A O no hydrogen 2.891 N/A THR 423.A N ASP 419.A O no hydrogen 3.034 N/A THR 423.A OG1 ASP 419.A O no hydrogen 3.031 N/A THR 423.A OG1 THR 586.A OG1 no hydrogen 2.693 N/A VAL 424.A N TYR 420.A O no hydrogen 3.091 N/A HIS 425.A N ASN 421.A O no hydrogen 2.987 N/A LYS 426.A N GLU 422.A O no hydrogen 3.175 N/A LYS 426.A NZ GLU 429.A OE1 no hydrogen 3.071 N/A LYS 426.A NZ GLU 429.A OE2 no hydrogen 3.374 N/A LYS 427.A N THR 423.A O no hydrogen 2.871 N/A LYS 427.A NZ GLU 468.A OE1 no hydrogen 2.377 N/A THR 428.A N VAL 424.A O no hydrogen 3.016 N/A THR 428.A OG1 VAL 424.A O no hydrogen 3.473 N/A THR 428.A OG1 HIS 425.A O no hydrogen 3.113 N/A GLU 429.A N HIS 425.A O no hydrogen 3.132 N/A VAL 430.A N LYS 426.A O no hydrogen 3.232 N/A VAL 430.A N LYS 427.A O no hydrogen 2.884 N/A VAL 431.A N LYS 427.A O no hydrogen 2.836 N/A ILE 432.A N THR 428.A O no hydrogen 2.992 N/A THR 433.A OG1 GLU 429.A O no hydrogen 2.715 N/A LEU 434.A N VAL 430.A O no hydrogen 2.693 N/A ASP 435.A N VAL 431.A O no hydrogen 2.751 N/A PHE 436.A N ILE 432.A O no hydrogen 3.069 N/A CYS 437.A N THR 433.A O no hydrogen 3.204 N/A CYS 437.A SG THR 433.A O no hydrogen 3.674 N/A CYS 437.A SG LEU 434.A O no hydrogen 3.202 N/A ILE 438.A N LEU 434.A O no hydrogen 3.071 N/A ARG 439.A N ASP 435.A O no hydrogen 3.092 N/A ILE 441.A N CYS 437.A O no hydrogen 3.155 N/A GLU 442.A N ILE 438.A O no hydrogen 2.875 N/A THR 444.A N ASN 440.A O no hydrogen 3.269 N/A THR 444.A OG1 ILE 441.A O no hydrogen 3.045 N/A VAL 445.A N ILE 441.A O no hydrogen 3.448 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.584 N/A ASP 452.A N GLY 448.A O no hydrogen 2.922 N/A ILE 453.A N GLU 449.A O no hydrogen 3.097 N/A HIS 454.A N ILE 450.A O no hydrogen 3.001 N/A THR 455.A N SER 451.A O no hydrogen 2.935 N/A THR 455.A OG1 SER 451.A O no hydrogen 2.967 N/A THR 455.A OG1 ASP 452.A O no hydrogen 2.960 N/A LYS 456.A N ASP 452.A O no hydrogen 3.014 N/A LEU 457.A N ILE 453.A O no hydrogen 2.895 N/A LEU 458.A N HIS 454.A O no hydrogen 2.933 N/A ARG 459.A N THR 455.A O no hydrogen 2.894 N/A LEU 460.A N LYS 456.A O no hydrogen 3.032 N/A SER 461.A N LEU 457.A O no hydrogen 3.039 N/A SER 462.A N LEU 458.A O no hydrogen 3.053 N/A SER 462.A OG LEU 458.A O no hydrogen 3.376 N/A SER 462.A OG ARG 459.A O no hydrogen 2.599 N/A SER 463.A N ARG 459.A O no hydrogen 3.140 N/A SER 463.A OG ARG 459.A O no hydrogen 3.418 N/A SER 463.A OG LEU 460.A O no hydrogen 3.081 N/A GLN 464.A N LEU 460.A O no hydrogen 2.721 N/A GLY 465.A N SER 461.A O no hydrogen 2.864 N/A THR 466.A N SER 462.A O no hydrogen 3.437 N/A ILE 467.A N SER 463.A O no hydrogen 3.085 N/A GLU 468.A N GLN 464.A O no hydrogen 3.174 N/A THR 469.A N GLY 465.A O no hydrogen 3.096 N/A THR 469.A OG1 THR 466.A O no hydrogen 2.746 N/A SER 470.A N THR 466.A O no hydrogen 3.130 N/A SER 470.A OG THR 466.A O no hydrogen 2.984 N/A LEU 471.A N ILE 467.A O no hydrogen 2.884 N/A GLN 472.A N GLU 468.A O no hydrogen 2.904 N/A ASP 473.A N THR 469.A O no hydrogen 3.132 N/A ILE 474.A N SER 470.A O no hydrogen 3.069 N/A ASP 475.A N LEU 471.A O no hydrogen 2.886 N/A SER 476.A N GLN 472.A O no hydrogen 2.988 N/A ARG 477.A N ASP 473.A O no hydrogen 3.156 N/A ARG 477.A N ILE 474.A O no hydrogen 3.012 N/A LEU 478.A N ILE 474.A O no hydrogen 2.984 N/A SER 479.A N ASP 475.A O no hydrogen 2.575 N/A SER 479.A OG SER 476.A O no hydrogen 2.549 N/A GLN 491.A N TRP 488.A O no hydrogen 2.714 N/A THR 494.A N GLN 402.A OE1 no hydrogen 2.460 N/A THR 494.A OG1 GLN 402.A OE1 no hydrogen 3.070 N/A HIS 495.A N ASP 498.A OD1 no hydrogen 2.691 N/A ASP 498.A N HIS 495.A O no hydrogen 2.954 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.530 N/A LYS 503.A N ARG 499.A O no hydrogen 2.976 N/A LEU 504.A N ASN 500.A O no hydrogen 3.099 N/A GLN 505.A N VAL 501.A O no hydrogen 2.940 N/A VAL 506.A N GLU 502.A O no hydrogen 3.085 N/A LEU 508.A N LEU 504.A O no hydrogen 2.928 N/A ASN 509.A N GLN 505.A O no hydrogen 2.844 N/A ASN 509.A ND2 GLN 505.A O no hydrogen 2.331 N/A CYS 510.A N VAL 506.A O no hydrogen 3.153 N/A CYS 510.A SG VAL 506.A O no hydrogen 3.088 N/A MET 511.A N LEU 507.A O no hydrogen 3.083 N/A THR 512.A N LEU 508.A O no hydrogen 3.007 N/A GLU 513.A N ASN 509.A O no hydrogen 3.205 N/A ILE 514.A N CYS 510.A O no hydrogen 3.259 N/A TYR 515.A N MET 511.A O no hydrogen 2.753 N/A TYR 516.A N THR 512.A O no hydrogen 2.961 N/A GLN 517.A N GLU 513.A O no hydrogen 3.109 N/A GLN 517.A NE2 ASP 521.A OD1 no hydrogen 3.010 N/A PHE 518.A N ILE 514.A O no hydrogen 2.802 N/A LYS 519.A N TYR 515.A O no hydrogen 2.904 N/A LYS 519.A NZ GLU 96.A OE1 no hydrogen 2.865 N/A LYS 520.A N TYR 516.A O no hydrogen 3.233 N/A ASP 521.A N GLN 517.A O no hydrogen 3.005 N/A LYS 522.A N PHE 518.A O no hydrogen 3.145 N/A GLU 524.A N LYS 520.A O no hydrogen 3.121 N/A ARG 525.A N LYS 522.A O no hydrogen 3.393 N/A GLU 532.A N ALA 528.A O no hydrogen 2.660 N/A GLN 533.A N TYR 529.A O no hydrogen 3.227 N/A ILE 534.A N ASN 530.A O no hydrogen 3.175 N/A HIS 535.A N GLU 531.A O no hydrogen 3.046 N/A HIS 535.A ND1 ASP 521.A OD2 no hydrogen 2.695 N/A HIS 535.A NE2 ASP 377.A OD2 no hydrogen 3.281 N/A LYS 536.A N GLU 532.A O no hydrogen 3.117 N/A LYS 536.A N GLN 533.A O no hydrogen 2.941 N/A PHE 537.A N GLN 533.A O no hydrogen 2.973 N/A ASP 538.A N ILE 534.A O no hydrogen 2.977 N/A LYS 539.A N HIS 535.A O no hydrogen 3.139 N/A LYS 539.A NZ HIS 369.A O no hydrogen 2.552 N/A LYS 539.A NZ ARG 371.A O no hydrogen 2.332 N/A GLN 540.A N LYS 536.A O no hydrogen 3.082 N/A LYS 541.A N PHE 537.A O no hydrogen 2.845 N/A LEU 542.A N ASP 538.A O no hydrogen 2.933 N/A TYR 544.A N GLN 540.A O no hydrogen 3.046 N/A HIS 545.A N LYS 541.A O no hydrogen 2.823 N/A ALA 546.A N LEU 542.A O no hydrogen 3.024 N/A THR 547.A N TYR 543.A O no hydrogen 2.934 N/A THR 547.A OG1 TYR 543.A O no hydrogen 2.976 N/A LYS 548.A N TYR 544.A O no hydrogen 3.028 N/A ALA 549.A N HIS 545.A O no hydrogen 2.960 N/A MET 550.A N ALA 546.A O no hydrogen 2.867 N/A THR 551.A N THR 547.A O no hydrogen 3.122 N/A THR 551.A OG1 THR 547.A O no hydrogen 2.720 N/A HIS 552.A N LYS 548.A O no hydrogen 3.082 N/A PHE 553.A N ALA 549.A O no hydrogen 2.887 N/A PHE 553.A N MET 550.A O no hydrogen 3.263 N/A THR 554.A N MET 550.A O no hydrogen 3.045 N/A THR 554.A OG1 MET 550.A O no hydrogen 3.184 N/A THR 554.A OG1 THR 551.A O no hydrogen 3.316 N/A THR 554.A OG1 ASP 555.A OD1 no hydrogen 3.007 N/A ASP 555.A N THR 551.A O no hydrogen 2.973 N/A GLU 556.A N HIS 552.A O no hydrogen 3.286 N/A LYS 559.A N CYS 557.A O no hydrogen 2.396 N/A LYS 560.A N GLU 556.A O no hydrogen 3.359 N/A GLU 562.A N VAL 558.A O no hydrogen 2.572 N/A ALA 563.A N LYS 559.A O no hydrogen 3.276 N/A PHE 564.A N LYS 560.A O no hydrogen 2.953 N/A LEU 565.A N TYR 561.A O no hydrogen 2.884 N/A ASN 566.A N GLU 562.A O no hydrogen 2.850 N/A LYS 567.A N ALA 563.A O no hydrogen 3.055 N/A LYS 567.A NZ GLU 570.A OE2 no hydrogen 3.557 N/A SER 568.A N PHE 564.A O no hydrogen 2.970 N/A SER 568.A OG PHE 564.A O no hydrogen 2.427 N/A GLU 569.A N LEU 565.A O no hydrogen 3.195 N/A TRP 571.A N LYS 567.A O no hydrogen 3.213 N/A ILE 572.A N SER 568.A O no hydrogen 2.945 N/A ARG 573.A N GLU 569.A O no hydrogen 3.110 N/A LYS 574.A N GLU 570.A O no hydrogen 3.134 N/A MET 575.A N TRP 571.A O no hydrogen 2.932 N/A LEU 576.A N ILE 572.A O no hydrogen 2.889 N/A HIS 577.A N ARG 573.A O no hydrogen 3.059 N/A LEU 578.A N LYS 574.A O no hydrogen 3.043 N/A ARG 579.A N MET 575.A O no hydrogen 2.944 N/A ARG 579.A NH2 GLU 317.A OE1 no hydrogen 2.314 N/A LYS 580.A N LEU 576.A O no hydrogen 2.994 N/A GLN 581.A N HIS 577.A O no hydrogen 3.157 N/A LEU 582.A N LEU 578.A O no hydrogen 2.947 N/A LEU 583.A N ARG 579.A O no hydrogen 3.024 N/A SER 584.A N LYS 580.A O no hydrogen 3.202 N/A LEU 585.A N GLN 581.A O no hydrogen 2.907 N/A THR 586.A N LEU 582.A O no hydrogen 2.901 N/A THR 586.A OG1 THR 423.A OG1 no hydrogen 2.693 N/A THR 586.A OG1 LEU 582.A O no hydrogen 2.585 N/A ASN 587.A N LEU 583.A O no hydrogen 2.886 N/A GLN 588.A N SER 584.A O no hydrogen 2.989 N/A CYS 589.A N LEU 585.A O no hydrogen 3.248 N/A CYS 589.A N THR 586.A O no hydrogen 3.130 N/A CYS 589.A SG LEU 585.A O no hydrogen 3.465 N/A PHE 590.A N ASN 587.A O no hydrogen 3.077 N/A ASP 591.A N ASN 587.A O no hydrogen 3.297 N/A ILE 592.A N ASP 591.A OD1 no hydrogen 2.813 N/A GLU 594.A N PHE 590.A O no hydrogen 3.137 N/A GLU 594.A N ASP 591.A O no hydrogen 3.127 N/A GLU 595.A N ASP 591.A O no hydrogen 2.895 N/A VAL 596.A N ILE 592.A O no hydrogen 3.287 N/A LYS 598.A N VAL 596.A O no hydrogen 2.512 N/A TYR 599.A N GLU 595.A O no hydrogen 3.209 N/A GLN 600.A N SER 597.A O no hydrogen 2.897 N/A GLU 601.A N SER 597.A O no hydrogen 2.498 N/A THR 603.A OG1 TYR 602.A O no hydrogen 2.750 N/A