Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLY 161.A O no hydrogen 3.529 N/A PHE 4.A N LYS 1.A O no hydrogen 3.222 N/A SER 5.A N GLU 8.A OE1 no hydrogen 2.804 N/A ILE 7.A N SER 5.A OG no hydrogen 3.106 N/A LEU 9.A N SER 5.A O no hydrogen 2.712 N/A ALA 10.A N ASP 6.A O no hydrogen 3.096 N/A ALA 11.A N ILE 7.A O no hydrogen 3.164 N/A ALA 11.A N GLU 8.A O no hydrogen 3.267 N/A ILE 12.A N GLU 8.A O no hydrogen 2.959 N/A ASN 15.A N ALA 11.A O no hydrogen 2.867 N/A THR 16.A N ILE 12.A O no hydrogen 3.035 N/A THR 16.A OG1 ILE 12.A O no hydrogen 3.111 N/A THR 16.A OG1 PRO 13.A O no hydrogen 3.236 N/A LEU 17.A N PRO 13.A O no hydrogen 3.042 N/A ALA 18.A N PHE 14.A O no hydrogen 2.642 N/A ASP 19.A N ASN 15.A O no hydrogen 2.967 N/A TYR 21.A N LEU 17.A O no hydrogen 3.077 N/A TYR 21.A OH GLN 151.A O no hydrogen 2.914 N/A ALA 26.A N GLY 22.A O no hydrogen 3.327 N/A ARG 27.A N GLU 23.A O no hydrogen 2.989 N/A GLU 28.A N ARG 24.A O no hydrogen 3.487 N/A GLN 29.A N LEU 25.A O no hydrogen 2.935 N/A GLN 29.A NE2 GLU 33.A OE2 no hydrogen 2.876 N/A ALA 31.A N ARG 27.A O no hydrogen 2.901 N/A LEU 32.A N GLU 28.A O no hydrogen 2.919 N/A GLU 33.A N GLN 29.A O no hydrogen 3.078 N/A HIS 34.A N LEU 30.A O no hydrogen 2.852 N/A HIS 34.A ND1 LEU 30.A O no hydrogen 2.969 N/A SER 36.A N HIS 34.A O no hydrogen 2.512 N/A GLU 38.A N HIS 34.A O no hydrogen 2.913 N/A GLU 41.A N TYR 37.A O no hydrogen 2.817 N/A ALA 42.A N GLU 38.A O no hydrogen 2.965 N/A ARG 43.A N MET 39.A O no hydrogen 2.736 N/A ARG 45.A N GLU 41.A O no hydrogen 3.376 N/A MET 47.A N ARG 50.A O no hydrogen 3.073 N/A THR 54.A N LEU 51.A O no hydrogen 3.007 N/A THR 54.A OG1 LEU 51.A O no hydrogen 3.418 N/A LEU 55.A N LEU 51.A O no hydrogen 3.262 N/A LEU 56.A N ILE 52.A O no hydrogen 3.514 N/A MET 59.A N LEU 55.A O no hydrogen 3.013 N/A ILE 60.A N LEU 56.A O no hydrogen 3.085 N/A ALA 61.A N PRO 57.A O no hydrogen 3.211 N/A ARG 62.A N LYS 58.A O no hydrogen 3.280 N/A ARG 62.A NE GLU 189.A OE1 no hydrogen 2.729 N/A ARG 62.A NH1 ARG 62.A O no hydrogen 3.273 N/A ILE 63.A N MET 59.A O no hydrogen 3.051 N/A ASN 64.A N ILE 60.A O no hydrogen 3.228 N/A ASP 65.A N ALA 61.A O no hydrogen 3.128 N/A TRP 66.A N ARG 62.A O no hydrogen 2.898 N/A PHE 67.A N ILE 63.A O no hydrogen 3.095 N/A GLU 68.A N ASN 64.A O no hydrogen 3.247 N/A GLU 69.A N ASP 65.A O no hydrogen 2.995 N/A VAL 70.A N TRP 66.A O no hydrogen 3.077 N/A LYS 71.A N PHE 67.A O no hydrogen 2.995 N/A ALA 72.A N GLU 68.A O no hydrogen 3.303 N/A LYS 73.A N GLU 69.A O no hydrogen 3.265 N/A PHE 81.A N PRO 78.A O no hydrogen 3.143 N/A LEU 84.A N ALA 80.A O no hydrogen 2.934 N/A LEU 84.A N PHE 81.A O no hydrogen 2.921 N/A GLN 85.A N GLN 82.A O no hydrogen 3.322 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.715 N/A ALA 91.A N LYS 88.A O no hydrogen 2.906 N/A VAL 92.A N LYS 88.A O no hydrogen 3.124 N/A ALA 93.A N PRO 89.A O no hydrogen 3.100 N/A TYR 94.A N GLU 90.A O no hydrogen 3.287 N/A TYR 94.A OH GLU 41.A OE1 no hydrogen 2.570 N/A ILE 95.A N ALA 91.A O no hydrogen 3.099 N/A THR 96.A N VAL 92.A O no hydrogen 3.381 N/A THR 96.A OG1 VAL 92.A O no hydrogen 2.796 N/A ILE 97.A N ALA 93.A O no hydrogen 3.227 N/A LYS 98.A N TYR 94.A O no hydrogen 2.947 N/A LYS 98.A NZ GLU 41.A OE2 no hydrogen 2.736 N/A THR 99.A N ILE 95.A O no hydrogen 2.730 N/A THR 99.A OG1 ILE 95.A O no hydrogen 2.727 N/A THR 100.A N THR 96.A O no hydrogen 3.003 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.514 N/A LEU 101.A N ILE 97.A O no hydrogen 3.007 N/A ALA 102.A N LYS 98.A O no hydrogen 3.131 N/A CYS 103.A N THR 99.A O no hydrogen 2.958 N/A CYS 103.A SG THR 99.A O no hydrogen 3.341 N/A LEU 104.A N THR 100.A O no hydrogen 3.254 N/A THR 105.A N LEU 101.A O no hydrogen 3.242 N/A THR 105.A OG1 LEU 101.A O no hydrogen 2.704 N/A SER 106.A OG ALA 102.A O no hydrogen 3.010 N/A THR 110.A N ILE 211.A O no hydrogen 3.380 N/A VAL 112.A N GLU 209.A O no hydrogen 2.945 N/A ALA 114.A N THR 111.A O no hydrogen 3.319 N/A VAL 115.A N THR 111.A O no hydrogen 3.321 N/A ALA 116.A N VAL 112.A O no hydrogen 2.833 N/A ALA 118.A N ALA 114.A O no hydrogen 2.900 N/A ILE 119.A N VAL 115.A O no hydrogen 2.895 N/A GLY 120.A N ALA 116.A O no hydrogen 3.065 N/A ARG 121.A N SER 117.A O no hydrogen 3.102 N/A ALA 122.A N ALA 118.A O no hydrogen 3.120 N/A ILE 123.A N ILE 119.A O no hydrogen 2.984 N/A ILE 123.A N GLY 120.A O no hydrogen 3.239 N/A GLU 124.A N GLY 120.A O no hydrogen 3.296 N/A ASP 125.A N ARG 121.A O no hydrogen 3.213 N/A ALA 127.A N ILE 123.A O no hydrogen 2.880 N/A ARG 128.A N GLU 124.A O no hydrogen 3.176 N/A ARG 128.A NH1 GLU 166.A O no hydrogen 3.499 N/A ARG 128.A NH2 GLU 166.A O no hydrogen 3.387 N/A PHE 129.A N ASP 125.A O no hydrogen 3.015 N/A GLY 130.A N GLU 126.A O no hydrogen 2.900 N/A ARG 133.A N PHE 129.A O no hydrogen 2.790 N/A ASP 134.A N GLY 130.A O no hydrogen 2.959 N/A LEU 135.A N ARG 131.A O no hydrogen 2.947 N/A GLU 136.A N ILE 132.A O no hydrogen 2.961 N/A ALA 137.A N ARG 133.A O no hydrogen 2.826 N/A HIS 139.A N GLU 136.A O no hydrogen 3.256 N/A HIS 139.A ND1 GLU 136.A O no hydrogen 3.054 N/A PHE 140.A N ALA 137.A O no hydrogen 3.302 N/A MET 157.A N GLU 154.A O no hydrogen 3.038 N/A LEU 158.A N ALA 155.A O no hydrogen 3.175 N/A LEU 162.A N SER 159.A O no hydrogen 2.960 N/A SER 169.A OG GLU 124.A OE1 no hydrogen 2.476 N/A SER 169.A OG GLU 124.A OE2 no hydrogen 2.815 N/A SER 169.A OG TRP 171.A O no hydrogen 3.516 N/A SER 170.A N GLU 124.A OE2 no hydrogen 3.122 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.554 N/A SER 176.A N HIS 172.A O no hydrogen 2.809 N/A ILE 177.A N LYS 173.A O no hydrogen 3.015 N/A HIS 178.A N GLU 174.A O no hydrogen 3.072 N/A VAL 179.A N ASP 175.A O no hydrogen 3.401 N/A GLY 180.A N SER 176.A O no hydrogen 3.381 N/A VAL 181.A N ILE 177.A O no hydrogen 2.853 N/A ARG 182.A N HIS 178.A O no hydrogen 3.075 N/A ARG 182.A NH1 GLU 185.A OE1 no hydrogen 3.342 N/A ARG 182.A NH1 MET 699.A O no hydrogen 2.948 N/A CYS 183.A N VAL 179.A O no hydrogen 3.002 N/A CYS 183.A SG VAL 179.A O no hydrogen 3.207 N/A ILE 184.A N GLY 180.A O no hydrogen 2.890 N/A GLU 185.A N VAL 181.A O no hydrogen 2.695 N/A MET 186.A N ARG 182.A O no hydrogen 3.119 N/A LEU 187.A N ILE 184.A O no hydrogen 2.971 N/A SER 190.A OG LYS 58.A O no hydrogen 3.439 N/A SER 190.A OG MET 186.A O no hydrogen 3.373 N/A THR 191.A N LEU 187.A O no hydrogen 2.792 N/A MET 193.A N LEU 187.A O no hydrogen 3.329 N/A SER 195.A N GLU 212.A O no hydrogen 2.702 N/A SER 195.A OG GLU 212.A O no hydrogen 3.516 N/A HIS 197.A N THR 210.A O no hydrogen 3.078 N/A GLN 199.A N SER 208.A O no hydrogen 2.950 N/A GLY 202.A N ASP 207.A OD2 no hydrogen 3.395 N/A VAL 203.A N ASN 200.A O no hydrogen 3.136 N/A ASP 207.A N VAL 203.A O no hydrogen 2.983 N/A SER 208.A N GLN 199.A O no hydrogen 3.126 N/A THR 210.A N HIS 197.A O no hydrogen 3.258 N/A THR 210.A OG1 HIS 197.A O no hydrogen 3.151 N/A ILE 211.A N THR 110.A O no hydrogen 2.805 N/A GLU 212.A N SER 195.A O no hydrogen 2.730 N/A ALA 214.A N MET 193.A O no hydrogen 3.437 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.829 N/A TYR 217.A N ALA 214.A O no hydrogen 3.062 N/A ALA 218.A N ALA 214.A O no hydrogen 3.181 N/A GLU 219.A N PRO 215.A O no hydrogen 3.254 N/A ALA 220.A N TYR 217.A O no hydrogen 3.035 N/A GLN 227.A NE2 GLU 35.A OE1 no hydrogen 3.455 N/A CYS 229.A N TRP 370.A O no hydrogen 2.688 N/A VAL 230.A N GLN 29.A OE1 no hydrogen 2.967 N/A LYS 234.A N GLY 243.A O no hydrogen 2.839 N/A LYS 234.A NZ LEU 162.A O no hydrogen 2.721 N/A LYS 234.A NZ GLY 241.A O no hydrogen 2.642 N/A THR 237.A OG1 PRO 235.A O no hydrogen 3.361 N/A THR 240.A OG1 GLY 165.A O no hydrogen 2.696 N/A GLY 241.A N LEU 252.A O no hydrogen 3.289 N/A GLY 243.A N LYS 234.A O no hydrogen 2.948 N/A TYR 244.A OH GLN 227.A O no hydrogen 2.560 N/A TRP 245.A N GLU 33.A OE1 no hydrogen 3.343 N/A TRP 245.A N GLU 33.A OE2 no hydrogen 2.983 N/A ALA 246.A N GLU 33.A OE1 no hydrogen 2.900 N/A ASN 247.A N GLU 136.A OE1 no hydrogen 3.084 N/A ASN 247.A N GLU 136.A OE2 no hydrogen 2.981 N/A ASN 247.A ND2 LEU 9.A O no hydrogen 2.810 N/A ASN 247.A ND2 GLY 161.A O no hydrogen 3.040 N/A ARG 249.A NH2 GLU 33.A O no hydrogen 2.907 N/A ARG 249.A NH2 MET 225.A O no hydrogen 2.821 N/A ARG 250.A NH1 ASP 125.A OD1 no hydrogen 2.971 N/A LEU 254.A N ILE 239.A O no hydrogen 2.689 N/A ARG 256.A N MET 375.A O no hydrogen 2.728 N/A ARG 256.A NE ASN 374.A OD1 no hydrogen 3.300 N/A THR 257.A OG1 SER 259.A O no hydrogen 2.646 N/A LYS 260.A NZ GLU 166.A OE1 no hydrogen 3.302 N/A LYS 260.A NZ GLU 166.A OE2 no hydrogen 2.661 N/A ALA 262.A N SER 259.A OG no hydrogen 3.239 N/A MET 264.A N LYS 260.A O no hydrogen 2.916 N/A ARG 265.A N LYS 261.A O no hydrogen 3.221 N/A ARG 265.A NH1 GLU 687.A OE1 no hydrogen 3.289 N/A ARG 265.A NH2 GLU 687.A OE2 no hydrogen 2.804 N/A TYR 266.A N LEU 263.A O no hydrogen 2.971 N/A TYR 266.A OH PRO 683.A O no hydrogen 2.725 N/A GLU 267.A N MET 264.A O no hydrogen 3.230 N/A VAL 274.A N MET 271.A O no hydrogen 2.980 N/A TYR 275.A N MET 271.A O no hydrogen 3.288 N/A LYS 276.A N PRO 272.A O no hydrogen 2.942 N/A LYS 276.A NZ GLU 273.A OE2 no hydrogen 3.153 N/A LYS 276.A NZ GLU 749.A OE2 no hydrogen 3.046 N/A ALA 277.A N GLU 273.A O no hydrogen 3.148 N/A ILE 278.A N VAL 274.A O no hydrogen 3.221 N/A ASN 279.A N TYR 275.A O no hydrogen 3.000 N/A ASN 279.A ND2 GLN 282.A OE1 no hydrogen 3.638 N/A ILE 280.A N LYS 276.A O no hydrogen 3.018 N/A ALA 281.A N ALA 277.A O no hydrogen 3.041 N/A GLN 282.A N ILE 278.A O no hydrogen 2.772 N/A ASN 283.A N ASN 279.A O no hydrogen 3.009 N/A THR 284.A N ALA 281.A O no hydrogen 3.351 N/A THR 284.A OG1 ALA 281.A O no hydrogen 3.266 N/A TRP 286.A N ILE 369.A O no hydrogen 2.850 N/A LYS 287.A N THR 400.A O no hydrogen 2.603 N/A ASN 289.A N LEU 398.A O no hydrogen 2.666 N/A VAL 292.A N ASN 289.A OD1 no hydrogen 3.480 N/A LEU 293.A N ASN 289.A O no hydrogen 3.079 N/A ALA 294.A N LYS 290.A O no hydrogen 2.901 N/A VAL 295.A N VAL 292.A O no hydrogen 3.206 N/A ALA 296.A N VAL 292.A O no hydrogen 2.892 N/A ASN 297.A N LEU 293.A O no hydrogen 3.036 N/A ASN 297.A ND2 ASN 361.A OD1 no hydrogen 3.235 N/A VAL 298.A N VAL 295.A O no hydrogen 2.941 N/A ILE 299.A N VAL 295.A O no hydrogen 2.985 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.704 N/A LYS 301.A N VAL 298.A O no hydrogen 3.289 N/A TRP 302.A N ILE 299.A O no hydrogen 2.935 N/A CYS 305.A SG ILE 299.A O no hydrogen 3.530 N/A ALA 328.A N ASN 325.A O no hydrogen 2.934 N/A THR 330.A OG1 GLU 327.A O no hydrogen 2.535 N/A ALA 336.A N TRP 332.A O no hydrogen 2.558 N/A ALA 337.A N LYS 333.A O no hydrogen 3.184 N/A ALA 338.A N ARG 334.A O no hydrogen 3.070 N/A VAL 339.A N ALA 335.A O no hydrogen 3.076 N/A TYR 340.A N ALA 336.A O no hydrogen 2.839 N/A ARG 341.A N ALA 337.A O no hydrogen 3.302 N/A ARG 341.A NH1 ASP 609.A OD2 no hydrogen 2.922 N/A ARG 341.A NH2 ASP 609.A OD1 no hydrogen 2.715 N/A ARG 341.A NH2 ASP 609.A OD2 no hydrogen 3.325 N/A LYS 342.A N ALA 338.A O no hydrogen 2.786 N/A ASP 343.A N VAL 339.A O no hydrogen 2.766 N/A LYS 344.A N TYR 340.A O no hydrogen 3.280 N/A ALA 345.A N ARG 341.A O no hydrogen 3.106 N/A ARG 346.A N LYS 342.A O no hydrogen 2.826 N/A ARG 346.A NE GLU 314.A O no hydrogen 3.014 N/A LYS 347.A N ASP 343.A O no hydrogen 2.747 N/A SER 348.A N LYS 344.A O no hydrogen 3.235 N/A SER 348.A OG ALA 345.A O no hydrogen 3.028 N/A ARG 349.A N ALA 345.A O no hydrogen 3.185 N/A ARG 349.A NH2 ASP 309.A O no hydrogen 2.640 N/A ARG 350.A N ARG 346.A O no hydrogen 2.888 N/A ARG 350.A NH1 THR 300.A O no hydrogen 3.291 N/A ARG 350.A NH2 THR 300.A O no hydrogen 2.900 N/A ILE 351.A N LYS 347.A O no hydrogen 2.998 N/A SER 352.A N SER 348.A O no hydrogen 3.293 N/A LEU 353.A N ARG 349.A O no hydrogen 3.180 N/A GLU 354.A N ARG 350.A O no hydrogen 2.823 N/A PHE 355.A N ILE 351.A O no hydrogen 3.025 N/A MET 356.A N SER 352.A O no hydrogen 2.999 N/A LEU 357.A N LEU 353.A O no hydrogen 3.180 N/A GLU 358.A N GLU 354.A O no hydrogen 3.074 N/A GLN 359.A N PHE 355.A O no hydrogen 2.982 N/A ALA 360.A N MET 356.A O no hydrogen 3.070 N/A ASN 361.A N LEU 357.A O no hydrogen 2.986 N/A ASN 361.A ND2 ASN 297.A OD1 no hydrogen 3.687 N/A LYS 362.A N GLU 358.A O no hydrogen 3.218 N/A LYS 362.A NZ GLU 35.A OE2 no hydrogen 3.010 N/A PHE 363.A N GLN 359.A O no hydrogen 3.184 N/A ALA 364.A N ASN 361.A O no hydrogen 3.430 N/A HIS 366.A N PHE 363.A O no hydrogen 3.175 N/A ILE 369.A N TRP 286.A O no hydrogen 2.688 N/A TRP 370.A N CYS 229.A O no hydrogen 2.695 N/A TRP 370.A NE1 ASN 283.A O no hydrogen 3.009 N/A ASN 374.A N TYR 382.A O no hydrogen 2.648 N/A ASN 374.A ND2 ALA 253.A O no hydrogen 2.530 N/A ASN 374.A ND2 TYR 373.A O no hydrogen 3.493 N/A MET 375.A N LEU 254.A O no hydrogen 3.012 N/A ASP 376.A N ARG 380.A O no hydrogen 3.139 N/A ARG 378.A N ASP 376.A OD1 no hydrogen 3.131 N/A ARG 378.A NE ASP 376.A OD1 no hydrogen 3.458 N/A ARG 378.A NH2 ASP 376.A OD2 no hydrogen 2.735 N/A ARG 380.A NH2 ASP 736.A OD1 no hydrogen 3.534 N/A ARG 380.A NH2 ASP 736.A OD2 no hydrogen 2.797 N/A TYR 382.A N ASN 374.A O no hydrogen 2.590 N/A TYR 382.A OH ASP 376.A OD2 no hydrogen 2.869 N/A ALA 383.A N GLN 390.A OE1 no hydrogen 3.105 N/A VAL 384.A N PRO 372.A O no hydrogen 2.823 N/A SER 385.A OG PHE 387.A O no hydrogen 2.755 N/A MET 386.A N PHE 226.A O no hydrogen 2.901 N/A ASN 388.A ND2 SER 385.A O no hydrogen 2.690 N/A GLN 390.A NE2 VAL 381.A O no hydrogen 3.238 N/A GLN 390.A NE2 LEU 758.A O no hydrogen 2.713 N/A GLY 391.A N ASN 388.A O no hydrogen 3.383 N/A THR 395.A N ASN 392.A OD1 no hydrogen 3.150 N/A THR 395.A OG1 ASN 392.A OD1 no hydrogen 2.930 N/A LYS 396.A N ASN 392.A O no hydrogen 2.818 N/A GLY 397.A N ASP 393.A O no hydrogen 2.796 N/A LEU 398.A N MET 394.A O no hydrogen 2.938 N/A LEU 399.A N LYS 396.A O no hydrogen 3.035 N/A THR 400.A N LYS 287.A O no hydrogen 2.919 N/A THR 400.A OG1 SER 486.A O no hydrogen 3.306 N/A LEU 401.A N SER 486.A O no hydrogen 3.306 N/A ALA 402.A N ALA 285.A O no hydrogen 2.846 N/A LYS 405.A NZ ASP 769.A OD1 no hydrogen 3.293 N/A TYR 413.A N LYS 409.A O no hydrogen 3.015 N/A LEU 415.A N GLY 411.A O no hydrogen 2.899 N/A LYS 416.A N TYR 412.A O no hydrogen 3.335 N/A LYS 416.A N TYR 413.A O no hydrogen 3.267 N/A LYS 416.A NZ GLU 438.A OE2 no hydrogen 3.366 N/A ILE 417.A N TYR 413.A O no hydrogen 3.342 N/A HIS 418.A N TRP 414.A O no hydrogen 3.056 N/A GLY 419.A N LEU 415.A O no hydrogen 3.149 N/A ALA 420.A N LYS 416.A O no hydrogen 3.023 N/A ASN 421.A N ILE 417.A O no hydrogen 2.904 N/A CYS 422.A N HIS 418.A O no hydrogen 2.895 N/A CYS 422.A SG HIS 418.A O no hydrogen 3.364 N/A ALA 423.A N GLY 419.A O no hydrogen 3.230 N/A VAL 425.A N ALA 423.A O no hydrogen 2.664 N/A GLU 432.A N PRO 429.A O no hydrogen 2.902 N/A ARG 433.A N PRO 429.A O no hydrogen 3.075 N/A ARG 433.A NE VAL 428.A O no hydrogen 2.475 N/A ARG 433.A NH2 VAL 428.A O no hydrogen 3.252 N/A ILE 434.A N PHE 430.A O no hydrogen 3.063 N/A LYS 435.A N PRO 431.A O no hydrogen 3.264 N/A PHE 436.A N GLU 432.A O no hydrogen 2.984 N/A ILE 437.A N ARG 433.A O no hydrogen 3.276 N/A GLU 438.A N ILE 434.A O no hydrogen 2.967 N/A GLU 439.A N LYS 435.A O no hydrogen 3.062 N/A ASN 440.A N PHE 436.A O no hydrogen 3.202 N/A ILE 444.A N ASN 440.A O no hydrogen 2.803 N/A ALA 446.A N ILE 444.A O no hydrogen 2.643 N/A CYS 447.A SG ASN 443.A O no hydrogen 3.325 N/A CYS 447.A SG ASN 454.A O no hydrogen 4.011 N/A LYS 449.A N MET 445.A O no hydrogen 2.908 N/A SER 450.A N ALA 446.A O no hydrogen 3.198 N/A GLU 453.A N SER 450.A O no hydrogen 3.118 N/A ASN 454.A N SER 450.A O no hydrogen 2.786 N/A GLU 459.A N TRP 456.A O no hydrogen 3.152 N/A GLN 460.A N TRP 457.A O no hydrogen 3.192 N/A GLN 460.A NE2 TRP 456.A O no hydrogen 2.979 N/A SER 462.A N CYS 422.A O no hydrogen 2.808 N/A PHE 464.A N ASP 393.A OD2 no hydrogen 3.016 N/A CYS 465.A N ASP 393.A OD1 no hydrogen 2.929 N/A CYS 465.A SG ASP 393.A O no hydrogen 3.665 N/A PHE 466.A N SER 462.A O no hydrogen 2.730 N/A LEU 467.A N PRO 463.A O no hydrogen 2.922 N/A ALA 468.A N PHE 464.A O no hydrogen 2.917 N/A PHE 469.A N CYS 465.A O no hydrogen 3.294 N/A CYS 470.A N PHE 466.A O no hydrogen 3.008 N/A CYS 470.A SG PHE 466.A O no hydrogen 3.353 N/A PHE 471.A N LEU 467.A O no hydrogen 3.105 N/A GLU 472.A N ALA 468.A O no hydrogen 3.386 N/A TYR 473.A N PHE 469.A O no hydrogen 2.653 N/A TYR 473.A OH TYR 412.A OH no hydrogen 3.161 N/A ALA 474.A N CYS 470.A O no hydrogen 2.994 N/A GLN 477.A N TYR 473.A O no hydrogen 3.460 N/A HIS 478.A N ALA 474.A O no hydrogen 3.246 N/A HIS 479.A N GLY 475.A O no hydrogen 3.021 N/A HIS 479.A ND1 GLY 475.A O no hydrogen 2.928 N/A GLY 480.A N VAL 476.A O no hydrogen 2.828 N/A TYR 483.A N GLY 480.A O no hydrogen 3.434 N/A TYR 483.A OH GLU 472.A OE2 no hydrogen 2.707 N/A SER 486.A OG LEU 401.A O no hydrogen 2.882 N/A LEU 489.A N THR 765.A O no hydrogen 2.723 N/A PHE 491.A N PHE 763.A O no hydrogen 2.742 N/A GLY 493.A N ASP 761.A O no hydrogen 3.173 N/A SER 494.A OG PHE 829.A O no hydrogen 3.291 N/A GLN 499.A N CYS 495.A O no hydrogen 2.930 N/A GLN 499.A NE2 VAL 514.A O no hydrogen 2.982 N/A HIS 500.A N SER 496.A O no hydrogen 3.055 N/A HIS 500.A ND1 TYR 785.A OH no hydrogen 2.787 N/A PHE 501.A N GLY 497.A O no hydrogen 3.185 N/A SER 502.A N ILE 498.A O no hydrogen 3.003 N/A SER 502.A OG ILE 498.A O no hydrogen 2.527 N/A ALA 503.A N GLN 499.A O no hydrogen 2.975 N/A MET 504.A N HIS 500.A O no hydrogen 2.744 N/A LEU 505.A N PHE 501.A O no hydrogen 3.258 N/A ARG 506.A N ALA 503.A O no hydrogen 3.201 N/A ARG 506.A NH2 TYR 785.A O no hydrogen 2.666 N/A ASP 507.A N SER 502.A O no hydrogen 2.768 N/A GLY 511.A N ASP 507.A O no hydrogen 3.100 N/A ALA 513.A N GLY 510.A O no hydrogen 3.142 N/A ASN 515.A ND2 SER 494.A OG no hydrogen 3.046 N/A ASN 515.A ND2 GLN 523.A O no hydrogen 2.674 N/A SER 519.A OG LEU 517.A O no hydrogen 3.556 N/A GLN 523.A N ASN 515.A OD1 no hydrogen 2.840 N/A TYR 526.A OH SER 494.A O no hydrogen 3.024 N/A GLY 527.A N ASP 524.A O no hydrogen 3.107 N/A ILE 528.A N ASP 524.A O no hydrogen 3.044 N/A VAL 529.A N ILE 525.A O no hydrogen 3.249 N/A ALA 530.A N TYR 526.A O no hydrogen 3.425 N/A LYS 531.A N GLY 527.A O no hydrogen 2.999 N/A LYS 532.A N ILE 528.A O no hydrogen 3.131 N/A VAL 533.A N VAL 529.A O no hydrogen 2.798 N/A ASN 534.A N ALA 530.A O no hydrogen 2.797 N/A GLU 535.A N LYS 531.A O no hydrogen 3.398 N/A ILE 536.A N LYS 532.A O no hydrogen 3.371 N/A LEU 537.A N VAL 533.A O no hydrogen 2.715 N/A GLN 538.A N ASN 534.A O no hydrogen 2.850 N/A ALA 539.A N GLU 535.A O no hydrogen 3.262 N/A ASP 540.A N ILE 536.A O no hydrogen 3.262 N/A ALA 541.A N GLN 538.A O no hydrogen 3.298 N/A ASN 543.A N ALA 539.A O no hydrogen 3.434 N/A THR 545.A N THR 562.A OG1 no hydrogen 2.635 N/A THR 545.A OG1 THR 562.A OG1 no hydrogen 2.930 N/A GLU 548.A N LYS 559.A O no hydrogen 2.800 N/A SER 555.A N THR 553.A OG1 no hydrogen 3.331 N/A LYS 559.A N GLU 548.A O no hydrogen 2.822 N/A LEU 560.A N GLN 621.A OE1 no hydrogen 2.975 N/A GLY 561.A N ASN 547.A OD1 no hydrogen 3.146 N/A THR 562.A OG1 THR 545.A OG1 no hydrogen 2.930 N/A LYS 563.A N THR 545.A O no hydrogen 3.112 N/A LEU 565.A N GLY 561.A O no hydrogen 3.336 N/A ALA 566.A N THR 562.A O no hydrogen 3.267 N/A GLY 567.A N LYS 563.A O no hydrogen 3.175 N/A GLN 568.A N ALA 564.A O no hydrogen 3.196 N/A GLN 568.A NE2 THR 617.A OG1 no hydrogen 2.884 N/A TRP 569.A N LEU 565.A O no hydrogen 3.163 N/A TRP 569.A NE1 ALA 622.A O no hydrogen 3.217 N/A LEU 570.A N ALA 566.A O no hydrogen 3.096 N/A ALA 571.A N GLY 567.A O no hydrogen 3.211 N/A TYR 572.A N TRP 569.A O no hydrogen 3.148 N/A GLY 573.A N TRP 569.A O no hydrogen 2.768 N/A THR 575.A OG1 SER 577.A OG no hydrogen 3.067 N/A ARG 576.A NE ASP 524.A OD1 no hydrogen 3.406 N/A ARG 576.A NE ASP 524.A OD2 no hydrogen 2.952 N/A ARG 576.A NH2 ASP 524.A OD1 no hydrogen 3.525 N/A SER 577.A OG THR 575.A OG1 no hydrogen 3.067 N/A THR 579.A N ARG 576.A O no hydrogen 3.078 N/A THR 579.A OG1 TYR 526.A O no hydrogen 2.876 N/A THR 579.A OG1 ARG 576.A O no hydrogen 2.979 N/A LYS 580.A N ARG 576.A O no hydrogen 2.842 N/A ARG 581.A NE ASP 602.A OD2 no hydrogen 2.860 N/A VAL 583.A N THR 579.A O no hydrogen 2.762 N/A VAL 583.A N LYS 580.A O no hydrogen 3.184 N/A MET 584.A N LYS 580.A O no hydrogen 3.259 N/A THR 585.A N ARG 581.A O no hydrogen 3.050 N/A THR 585.A OG1 ARG 581.A O no hydrogen 3.069 N/A THR 585.A OG1 GLN 598.A OE1 no hydrogen 3.287 N/A ALA 587.A N MET 584.A O no hydrogen 2.898 N/A TYR 588.A N THR 585.A O no hydrogen 2.944 N/A GLY 589.A N LEU 586.A O no hydrogen 2.958 N/A SER 590.A OG LYS 591.A O no hydrogen 3.449 N/A PHE 595.A N LYS 591.A O no hydrogen 3.149 N/A PHE 595.A N GLU 592.A O no hydrogen 2.888 N/A ARG 596.A N GLU 592.A O no hydrogen 3.335 N/A GLN 598.A NE2 THR 585.A OG1 no hydrogen 3.003 N/A VAL 599.A N PHE 595.A O no hydrogen 2.911 N/A LEU 600.A N ARG 596.A O no hydrogen 3.070 N/A GLU 601.A N GLN 597.A O no hydrogen 3.243 N/A ASP 602.A N GLN 598.A O no hydrogen 2.674 N/A THR 603.A N VAL 599.A O no hydrogen 2.836 N/A ILE 604.A N VAL 599.A O no hydrogen 3.005 N/A GLN 605.A N LEU 600.A O no hydrogen 2.829 N/A GLN 605.A NE2 GLN 605.A O no hydrogen 3.503 N/A GLN 605.A NE2 ASP 609.A OD1 no hydrogen 3.209 N/A ALA 607.A N ILE 604.A O no hydrogen 2.982 N/A ILE 608.A N ILE 604.A O no hydrogen 3.185 N/A ASP 609.A N GLN 605.A O no hydrogen 2.971 N/A SER 610.A N PRO 606.A O no hydrogen 2.778 N/A GLY 611.A N ILE 608.A O no hydrogen 3.313 N/A LYS 612.A N ALA 607.A O no hydrogen 2.790 N/A PHE 616.A N GLY 613.A O no hydrogen 3.132 N/A THR 617.A OG1 GLN 618.A OE1 no hydrogen 3.497 N/A GLN 621.A NE2 VAL 558.A O no hydrogen 3.436 N/A ALA 622.A N GLN 618.A O no hydrogen 3.122 N/A ALA 623.A N PRO 619.A O no hydrogen 3.028 N/A GLY 624.A N ASN 620.A O no hydrogen 3.001 N/A TYR 625.A N GLN 621.A O no hydrogen 3.194 N/A TYR 625.A OH ASP 540.A OD2 no hydrogen 2.856 N/A MET 626.A N ALA 622.A O no hydrogen 3.200 N/A ALA 627.A N ALA 623.A O no hydrogen 3.092 N/A LYS 628.A N GLY 624.A O no hydrogen 3.027 N/A LEU 629.A N TYR 625.A O no hydrogen 2.985 N/A ILE 630.A N MET 626.A O no hydrogen 3.052 N/A TRP 631.A N ALA 627.A O no hydrogen 3.016 N/A GLU 632.A N LYS 628.A O no hydrogen 3.355 N/A SER 633.A N LEU 629.A O no hydrogen 3.020 N/A SER 633.A OG LEU 629.A O no hydrogen 3.085 N/A SER 633.A OG ILE 630.A O no hydrogen 3.289 N/A VAL 634.A N ILE 630.A O no hydrogen 2.752 N/A THR 637.A N VAL 634.A O no hydrogen 2.798 N/A THR 637.A OG1 SER 633.A O no hydrogen 3.102 N/A VAL 638.A N VAL 634.A O no hydrogen 3.235 N/A VAL 642.A N VAL 638.A O no hydrogen 3.223 N/A VAL 642.A N VAL 639.A O no hydrogen 3.126 N/A GLU 643.A N VAL 639.A O no hydrogen 3.263 N/A ALA 644.A N ALA 640.A O no hydrogen 3.127 N/A MET 645.A N ALA 641.A O no hydrogen 3.118 N/A ASN 646.A N VAL 642.A O no hydrogen 2.919 N/A TRP 647.A N GLU 643.A O no hydrogen 2.903 N/A LEU 648.A N ALA 644.A O no hydrogen 3.220 N/A LYS 649.A N MET 645.A O no hydrogen 2.702 N/A SER 650.A N ASN 646.A O no hydrogen 3.148 N/A SER 650.A OG ASN 646.A O no hydrogen 2.691 N/A ALA 651.A N TRP 647.A O no hydrogen 3.172 N/A ALA 652.A N LEU 648.A O no hydrogen 3.014 N/A LYS 653.A N LYS 649.A O no hydrogen 2.781 N/A LEU 654.A N SER 650.A O no hydrogen 2.913 N/A LEU 655.A N ALA 651.A O no hydrogen 3.096 N/A ALA 656.A N ALA 652.A O no hydrogen 3.079 N/A VAL 659.A N ARG 669.A O no hydrogen 3.162 N/A THR 664.A OG1 LYS 662.A O no hydrogen 3.436 N/A ARG 669.A NH1 LEU 655.A O no hydrogen 3.050 N/A ARG 669.A NH2 LEU 655.A O no hydrogen 3.463 N/A ARG 671.A NE GLU 717.A OE2 no hydrogen 2.775 N/A ARG 671.A NH1 ALA 656.A O no hydrogen 2.705 N/A CYS 672.A N LEU 655.A O no hydrogen 2.821 N/A CYS 672.A SG LYS 670.A O no hydrogen 4.000 N/A VAL 674.A N GLN 686.A O no hydrogen 3.212 N/A TRP 676.A N VAL 684.A O no hydrogen 3.222 N/A TRP 676.A NE1 SER 734.A OG no hydrogen 3.095 N/A THR 678.A N PHE 682.A O no hydrogen 2.750 N/A THR 678.A OG1 SER 734.A O no hydrogen 3.184 N/A GLY 681.A N THR 678.A O no hydrogen 2.765 N/A VAL 684.A N TRP 676.A O no hydrogen 2.962 N/A GLN 686.A N VAL 674.A O no hydrogen 2.673 N/A TYR 688.A OH ASN 730.A OD1 no hydrogen 2.874 N/A LYS 689.A NZ ASP 715.A OD2 no hydrogen 3.143 N/A LYS 690.A N GLU 717.A O no hydrogen 2.675 N/A GLN 693.A NE2 ASN 711.A OD1 no hydrogen 3.321 N/A THR 694.A N ILE 710.A O no hydrogen 2.930 N/A ARG 695.A NE GLN 707.A O no hydrogen 3.263 N/A ARG 695.A NH2 GLN 707.A O no hydrogen 2.768 N/A LEU 696.A N PRO 708.A O no hydrogen 3.183 N/A LEU 698.A N LEU 706.A O no hydrogen 2.941 N/A PHE 700.A N PHE 704.A O no hydrogen 2.795 N/A LEU 701.A N GLU 185.A OE2 no hydrogen 2.618 N/A GLN 703.A N PHE 700.A O no hydrogen 3.162 N/A PHE 704.A N PHE 700.A O no hydrogen 3.478 N/A ARG 705.A NE ASN 697.A OD1 no hydrogen 2.883 N/A ARG 705.A NH2 ASN 697.A OD1 no hydrogen 3.508 N/A LEU 706.A N LEU 698.A O no hydrogen 2.612 N/A ILE 710.A N THR 694.A O no hydrogen 2.815 N/A THR 712.A N ILE 692.A O no hydrogen 3.194 N/A THR 712.A OG1 ILE 692.A O no hydrogen 3.308 N/A SER 716.A OG LYS 690.A O no hydrogen 2.847 N/A ASP 719.A N TYR 688.A O no hydrogen 2.592 N/A GLN 723.A N ASP 719.A O no hydrogen 3.085 N/A GLN 723.A NE2 GLN 686.A O no hydrogen 3.168 N/A GLU 724.A N ALA 720.A O no hydrogen 3.349 N/A SER 725.A N HIS 721.A O no hydrogen 3.075 N/A SER 725.A OG HIS 721.A O no hydrogen 3.215 N/A SER 725.A OG LYS 722.A O no hydrogen 3.321 N/A GLY 726.A N LYS 722.A O no hydrogen 2.753 N/A ILE 727.A N GLN 723.A O no hydrogen 3.232 N/A ASN 730.A N GLY 726.A O no hydrogen 3.173 N/A PHE 731.A N ILE 727.A O no hydrogen 3.036 N/A VAL 732.A N ALA 728.A O no hydrogen 3.345 N/A HIS 733.A N PRO 729.A O no hydrogen 2.876 N/A SER 734.A N ASN 730.A O no hydrogen 3.180 N/A SER 734.A OG ASN 730.A O no hydrogen 3.330 N/A SER 734.A OG PHE 731.A O no hydrogen 2.573 N/A GLN 735.A N PHE 731.A O no hydrogen 2.975 N/A ASP 736.A N VAL 732.A O no hydrogen 2.700 N/A GLY 737.A N HIS 733.A O no hydrogen 2.952 N/A SER 738.A N SER 734.A O no hydrogen 3.079 N/A SER 738.A OG GLN 735.A O no hydrogen 3.354 N/A HIS 739.A N GLN 735.A O no hydrogen 3.326 N/A HIS 739.A NE2 VAL 777.A O no hydrogen 3.055 N/A LEU 740.A N ASP 736.A O no hydrogen 3.104 N/A ARG 741.A N GLY 737.A O no hydrogen 3.129 N/A ARG 741.A NE ASP 680.A OD2 no hydrogen 2.975 N/A ARG 741.A NH2 ASP 680.A OD1 no hydrogen 2.754 N/A ARG 741.A NH2 ASP 680.A OD2 no hydrogen 3.206 N/A LYS 742.A N SER 738.A O no hydrogen 2.704 N/A THR 743.A N HIS 739.A O no hydrogen 3.090 N/A THR 743.A OG1 HIS 739.A O no hydrogen 2.374 N/A VAL 744.A N LEU 740.A O no hydrogen 3.160 N/A VAL 745.A N ARG 741.A O no hydrogen 3.274 N/A TRP 746.A N LYS 742.A O no hydrogen 3.020 N/A TRP 746.A NE1 GLU 779.A OE1 no hydrogen 2.621 N/A ALA 747.A N THR 743.A O no hydrogen 2.772 N/A HIS 748.A N VAL 744.A O no hydrogen 2.764 N/A HIS 748.A ND1 ILE 753.A O no hydrogen 3.128 N/A GLU 749.A N VAL 745.A O no hydrogen 2.799 N/A LYS 750.A N TRP 746.A O no hydrogen 3.221 N/A TYR 751.A OH GLU 779.A OE1 no hydrogen 2.831 N/A PHE 756.A N THR 284.A OG1 no hydrogen 3.064 N/A ALA 757.A N GLY 764.A O no hydrogen 2.582 N/A ILE 759.A N SER 762.A O no hydrogen 3.235 N/A ASP 761.A N ILE 759.A O no hydrogen 2.767 N/A PHE 763.A N PHE 491.A O no hydrogen 2.906 N/A GLY 764.A N ALA 757.A O no hydrogen 2.796 N/A THR 765.A OG1 SER 755.A O no hydrogen 3.324 N/A ALA 770.A N ILE 766.A O no hydrogen 2.930 N/A ALA 770.A N PRO 767.A O no hydrogen 3.254 N/A LEU 773.A N ASP 769.A O no hydrogen 2.955 N/A PHE 774.A N ALA 770.A O no hydrogen 2.761 N/A LYS 775.A N ALA 771.A O no hydrogen 3.196 N/A ALA 776.A N ASN 772.A O no hydrogen 2.537 N/A VAL 777.A N LEU 773.A O no hydrogen 2.938 N/A ARG 778.A NE PHE 774.A O no hydrogen 2.961 N/A ARG 778.A NH1 SER 827.A O no hydrogen 2.453 N/A ARG 778.A NH2 ASP 828.A O no hydrogen 3.309 N/A GLU 779.A N LYS 775.A O no hydrogen 3.337 N/A THR 780.A N ALA 776.A O no hydrogen 3.067 N/A MET 781.A N VAL 777.A O no hydrogen 3.348 N/A MET 781.A N ARG 778.A O no hydrogen 2.952 N/A VAL 782.A N ARG 778.A O no hydrogen 2.770 N/A ASP 783.A N GLU 779.A O no hydrogen 2.856 N/A THR 784.A N THR 780.A O no hydrogen 3.398 N/A THR 784.A OG1 THR 780.A O no hydrogen 3.443 N/A THR 784.A OG1 MET 781.A O no hydrogen 2.666 N/A TYR 785.A N MET 781.A O no hydrogen 3.215 N/A TYR 785.A OH HIS 500.A ND1 no hydrogen 2.787 N/A GLU 786.A N VAL 782.A O no hydrogen 3.106 N/A SER 787.A N ASP 783.A O no hydrogen 3.087 N/A SER 787.A OG ASP 783.A O no hydrogen 2.832 N/A SER 787.A OG THR 784.A O no hydrogen 3.001 N/A CYS 788.A N THR 784.A O no hydrogen 3.299 N/A CYS 788.A SG THR 784.A O no hydrogen 3.825 N/A LEU 791.A N ASP 789.A OD1 no hydrogen 3.151 N/A ALA 792.A N ASP 789.A OD1 no hydrogen 3.441 N/A ASP 793.A N ASP 789.A O no hydrogen 2.999 N/A PHE 794.A N VAL 790.A O no hydrogen 2.889 N/A TYR 795.A N LEU 791.A O no hydrogen 3.017 N/A ASP 796.A N ALA 792.A O no hydrogen 2.933 N/A GLN 797.A N PHE 794.A O no hydrogen 3.036 N/A PHE 798.A N PHE 794.A O no hydrogen 3.356 N/A GLN 801.A N GLN 801.A OE1 no hydrogen 2.897 N/A LEU 802.A N PHE 798.A O no hydrogen 3.171 N/A HIS 803.A ND1 GLU 804.A O no hydrogen 2.723 N/A SER 805.A OG GLU 804.A O no hydrogen 2.351 N/A LYS 809.A N GLN 806.A O no hydrogen 3.122 N/A LYS 816.A NZ ASP 789.A OD2 no hydrogen 3.307 N/A GLY 817.A N LEU 505.A O no hydrogen 2.905 N/A LEU 819.A N ARG 506.A O no hydrogen 2.955 N/A ASP 823.A N ASN 820.A O no hydrogen 3.076 N/A ILE 824.A N LEU 821.A O no hydrogen 3.296 N/A LEU 825.A N ARG 822.A O no hydrogen 3.083 N/A GLU 826.A N ASP 823.A O no hydrogen 2.989 N/A SER 827.A N ILE 824.A O no hydrogen 2.849 N/A SER 827.A OG ASN 515.A O no hydrogen 2.441 N/A