Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u33_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLU 37.A OE2 no hydrogen 2.362 N/A ARG 3.A NH2 GLU 37.A OE1 no hydrogen 3.281 N/A VAL 4.A N THR 177.A OG1 no hydrogen 3.222 N/A GLU 5.A N TRP 35.A O no hydrogen 3.091 N/A ASP 7.A N ALA 33.A O no hydrogen 2.952 N/A ASP 8.A N ASP 7.A OD1 no hydrogen 2.528 N/A ALA 10.A N SER 31.A O no hydrogen 2.851 N/A GLY 16.A N VAL 13.A O no hydrogen 2.835 N/A VAL 17.A N SER 14.A O no hydrogen 3.210 N/A ALA 20.A N GLY 183.A O no hydrogen 2.991 N/A LYS 21.A N ASP 453.A O no hydrogen 2.881 N/A ALA 22.A N TRP 185.A O no hydrogen 3.408 N/A VAL 23.A N GLU 26.A OE1 no hydrogen 2.941 N/A VAL 24.A N ASP 187.A O no hydrogen 3.184 N/A GLY 25.A N PRO 79.A O no hydrogen 2.988 N/A GLU 26.A N VAL 23.A O no hydrogen 3.159 N/A VAL 28.A N PHE 77.A O no hydrogen 3.043 N/A VAL 30.A N GLY 75.A O no hydrogen 2.698 N/A SER 31.A N ALA 10.A O no hydrogen 3.060 N/A ALA 32.A N PHE 73.A O no hydrogen 3.003 N/A ALA 33.A N ASP 7.A O no hydrogen 2.824 N/A VAL 34.A N PHE 71.A O no hydrogen 2.898 N/A TRP 35.A N GLU 5.A O no hydrogen 3.188 N/A ARG 36.A NH1 ALA 41.A O no hydrogen 2.919 N/A ARG 36.A NH2 GLU 37.A OE1 no hydrogen 2.379 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.901 N/A ALA 43.A N TRP 92.A O no hydrogen 2.738 N/A THR 45.A N ASP 90.A O no hydrogen 2.897 N/A LEU 46.A N ILE 62.A O no hydrogen 2.652 N/A VAL 47.A N ARG 88.A O no hydrogen 2.894 N/A VAL 48.A N LEU 60.A O no hydrogen 2.870 N/A ARG 49.A N THR 86.A O no hydrogen 2.890 N/A TYR 50.A OH VAL 82.A O no hydrogen 2.710 N/A LEU 51.A N LEU 84.A O no hydrogen 3.156 N/A HIS 57.A ND1 HIS 57.A O no hydrogen 2.487 N/A LEU 60.A N VAL 48.A O no hydrogen 2.819 N/A ILE 62.A N LEU 46.A O no hydrogen 2.846 N/A MET 64.A N ALA 44.A O no hydrogen 3.195 N/A THR 65.A N HIS 74.A O no hydrogen 3.111 N/A GLN 68.A N GLN 68.A OE1 no hydrogen 2.246 N/A VAL 72.A N GLU 69.A O no hydrogen 3.206 N/A PHE 73.A N ALA 32.A O no hydrogen 2.791 N/A HIS 74.A N THR 65.A O no hydrogen 3.144 N/A GLY 75.A N VAL 30.A O no hydrogen 2.619 N/A PHE 77.A N VAL 28.A O no hydrogen 3.079 N/A ARG 81.A NE ASP 80.A OD1 no hydrogen 2.791 N/A GLY 83.A N VAL 186.A O no hydrogen 3.036 N/A TRP 85.A N VAL 184.A O no hydrogen 2.777 N/A TRP 85.A NE1 ARG 81.A O no hydrogen 3.121 N/A THR 86.A N ARG 49.A O no hydrogen 2.811 N/A PHE 87.A N PHE 182.A O no hydrogen 2.871 N/A ARG 88.A N VAL 47.A O no hydrogen 3.141 N/A ARG 88.A NE ASP 90.A OD1 no hydrogen 3.239 N/A ARG 88.A NE ASP 90.A OD2 no hydrogen 2.495 N/A ARG 88.A NH2 ASP 90.A OD1 no hydrogen 3.231 N/A ASP 90.A N THR 45.A O no hydrogen 2.956 N/A GLY 91.A N THR 177.A O no hydrogen 2.837 N/A TRP 92.A N ALA 43.A O no hydrogen 2.873 N/A TRP 92.A NE1 THR 45.A OG1 no hydrogen 2.488 N/A GLY 93.A N ASP 174.A O no hydrogen 2.781 N/A HIS 97.A N ASP 94.A OD1 no hydrogen 2.913 N/A THR 98.A OG1 PRO 95.A O no hydrogen 2.679 N/A TRP 99.A N PRO 95.A O no hydrogen 2.954 N/A TRP 99.A NE1 ASP 115.A O no hydrogen 2.976 N/A ARG 100.A N ILE 96.A O no hydrogen 2.756 N/A HIS 101.A N HIS 97.A O no hydrogen 3.061 N/A GLY 102.A N THR 98.A O no hydrogen 3.090 N/A LEU 103.A N TRP 99.A O no hydrogen 3.020 N/A ILE 104.A N ARG 100.A O no hydrogen 3.043 N/A ALA 105.A N HIS 101.A O no hydrogen 3.473 N/A LYS 106.A N GLY 102.A O no hydrogen 3.195 N/A LYS 106.A NZ ASP 115.A OD2 no hydrogen 2.565 N/A LEU 107.A N LEU 103.A O no hydrogen 2.423 N/A ASP 108.A N ILE 104.A O no hydrogen 3.164 N/A ALA 109.A N LYS 106.A O no hydrogen 3.236 N/A GLY 110.A N LEU 107.A O no hydrogen 3.395 N/A ASN 114.A N LEU 112.A O no hydrogen 2.140 N/A ASP 115.A N LEU 112.A O no hydrogen 2.906 N/A VAL 118.A N ASN 114.A O no hydrogen 3.396 N/A GLY 119.A N ASP 115.A O no hydrogen 2.836 N/A ALA 120.A N LEU 116.A O no hydrogen 2.774 N/A VAL 121.A N VAL 118.A O no hydrogen 3.172 N/A LEU 122.A N GLY 119.A O no hydrogen 2.564 N/A LEU 123.A N GLY 119.A O no hydrogen 3.261 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.322 N/A ARG 125.A NH1 ASP 174.A OD1 no hydrogen 2.901 N/A ALA 126.A N LEU 122.A O no hydrogen 2.736 N/A THR 128.A N GLU 124.A O no hydrogen 3.179 N/A THR 128.A OG1 GLU 124.A O no hydrogen 3.414 N/A THR 128.A OG1 ARG 125.A O no hydrogen 3.166 N/A GLY 129.A N ALA 126.A O no hydrogen 3.070 N/A VAL 130.A N ALA 127.A O no hydrogen 2.864 N/A ARG 135.A N PRO 131.A O no hydrogen 3.101 N/A ARG 135.A NE VAL 130.A O no hydrogen 3.071 N/A ALA 140.A N ASP 136.A O no hydrogen 3.098 N/A ALA 141.A N PRO 137.A O no hydrogen 2.786 N/A ALA 142.A N LEU 138.A O no hydrogen 2.334 N/A ALA 143.A N LEU 139.A O no hydrogen 2.881 N/A THR 153.A N ASP 150.A OD2 no hydrogen 3.217 N/A THR 153.A OG1 ASP 150.A O no hydrogen 2.437 N/A ARG 154.A NE ALA 141.A O no hydrogen 3.166 N/A THR 155.A OG1 VAL 152.A O no hydrogen 2.833 N/A LEU 157.A N ARG 154.A O no hydrogen 2.934 N/A ALA 158.A N THR 155.A O no hydrogen 3.228 N/A LEU 159.A N THR 155.A O no hydrogen 2.813 N/A THR 160.A OG1 ALA 156.A O no hydrogen 2.272 N/A ILE 163.A N THR 160.A O no hydrogen 3.136 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.294 N/A LEU 166.A N GLU 162.A O no hydrogen 3.448 N/A LEU 167.A N ILE 163.A O no hydrogen 3.280 N/A ALA 168.A N GLU 164.A O no hydrogen 2.587 N/A ASP 169.A N GLU 165.A O no hydrogen 3.181 N/A TYR 170.A N LEU 166.A O no hydrogen 2.826 N/A ASP 174.A N GLY 93.A O no hydrogen 3.021 N/A THR 177.A N GLY 91.A O no hydrogen 2.694 N/A THR 177.A OG1 LEU 175.A O no hydrogen 2.889 N/A GLY 179.A N VAL 89.A O no hydrogen 2.844 N/A PHE 182.A N PHE 87.A O no hydrogen 2.887 N/A VAL 184.A N TRP 85.A O no hydrogen 2.858 N/A TRP 185.A N ALA 20.A O no hydrogen 2.784 N/A VAL 186.A N GLY 83.A O no hydrogen 2.781 N/A ASP 187.A N ALA 22.A O no hydrogen 3.086 N/A ARG 188.A NE ASP 403.A O no hydrogen 2.982 N/A ARG 188.A NH1 GLU 302.A OE2 no hydrogen 2.140 N/A ARG 188.A NH2 ASP 403.A O no hydrogen 2.835 N/A ALA 191.A N ARG 188.A O no hydrogen 2.964 N/A ARG 192.A N PRO 189.A O no hydrogen 3.135 N/A ARG 192.A NH1 GLN 556.A OE1 no hydrogen 3.200 N/A PHE 193.A N PRO 189.A O no hydrogen 3.093 N/A ALA 195.A N ASP 234.A OD2 no hydrogen 3.216 N/A TRP 196.A N TRP 493.A O no hydrogen 2.812 N/A TYR 197.A N VAL 235.A O no hydrogen 2.885 N/A TYR 197.A OH GLU 500.A OE1 no hydrogen 2.634 N/A GLU 198.A N MET 495.A O no hydrogen 2.985 N/A MET 199.A N TYR 237.A O no hydrogen 3.040 N/A ARG 202.A NH1 GLY 264.A O no hydrogen 2.843 N/A ARG 202.A NH2 GLY 264.A O no hydrogen 2.933 N/A SER 203.A N PHE 200.A O no hydrogen 2.993 N/A SER 203.A OG GLU 518.A OE2 no hydrogen 3.158 N/A SER 203.A OG ARG 523.A O no hydrogen 3.088 N/A THR 204.A N PRO 201.A O no hydrogen 3.163 N/A THR 204.A OG1 PRO 201.A O no hydrogen 2.941 N/A THR 204.A OG1 THR 220.A OG1 no hydrogen 2.965 N/A ASN 212.A N ASP 208.A OD2 no hydrogen 2.979 N/A ASN 212.A N ASP 210.A O no hydrogen 2.622 N/A HIS 215.A ND1 GLY 216.A O no hydrogen 3.005 N/A GLY 216.A N ARG 202.A O no hydrogen 2.906 N/A THR 217.A N THR 220.A OG1 no hydrogen 2.620 N/A THR 217.A OG1 LEU 283.A O no hydrogen 2.708 N/A PHE 218.A N LEU 283.A O no hydrogen 3.088 N/A ALA 219.A N THR 217.A OG1 no hydrogen 2.982 N/A THR 220.A OG1 THR 204.A OG1 no hydrogen 2.965 N/A THR 220.A OG1 THR 217.A O no hydrogen 2.659 N/A ALA 221.A N THR 217.A O no hydrogen 2.729 N/A ALA 222.A N PHE 218.A O no hydrogen 2.844 N/A ALA 223.A N THR 220.A O no hydrogen 3.152 N/A GLU 224.A N ALA 221.A O no hydrogen 2.785 N/A LEU 225.A N ALA 222.A O no hydrogen 3.244 N/A ARG 227.A NH1 GLN 538.A OE1 no hydrogen 2.568 N/A ARG 227.A NH2 TYR 197.A OH no hydrogen 3.207 N/A ALA 229.A N LEU 225.A O no hydrogen 3.044 N/A GLY 230.A N PRO 226.A O no hydrogen 2.886 N/A MET 231.A N ARG 227.A O no hydrogen 3.257 N/A MET 231.A N ILE 228.A O no hydrogen 3.057 N/A GLY 232.A N ALA 229.A O no hydrogen 2.707 N/A ASP 234.A N ALA 195.A O no hydrogen 2.876 N/A VAL 235.A N ALA 195.A O no hydrogen 3.028 N/A VAL 236.A N GLU 302.A O no hydrogen 2.769 N/A TYR 237.A N TYR 197.A O no hydrogen 2.734 N/A TYR 237.A OH ASP 306.A OD2 no hydrogen 3.222 N/A LEU 238.A N ALA 304.A O no hydrogen 2.913 N/A GLY 245.A N ALA 268.A O no hydrogen 2.867 N/A LYS 246.A N ASP 314.A OD2 no hydrogen 2.439 N/A LYS 246.A NZ ASP 272.A OD1 no hydrogen 2.892 N/A LYS 246.A NZ ASP 272.A OD2 no hydrogen 2.866 N/A ARG 249.A NE GLY 245.A O no hydrogen 2.598 N/A ARG 249.A NH2 ILE 244.A O no hydrogen 2.497 N/A ARG 249.A NH2 GLY 245.A O no hydrogen 2.805 N/A LYS 250.A NZ ASN 254.A OD1 no hydrogen 2.717 N/A LYS 250.A NZ LYS 342.A O no hydrogen 3.450 N/A LYS 250.A NZ GLN 344.A OE1 no hydrogen 3.401 N/A GLY 251.A N SER 255.A O no hydrogen 2.934 N/A ARG 252.A NH1 GLU 521.A OE1 no hydrogen 2.683 N/A SER 255.A N ARG 252.A O no hydrogen 3.239 N/A SER 255.A OG THR 257.A O no hydrogen 3.177 N/A ALA 259.A N ASP 262.A OD2 no hydrogen 3.423 N/A TRP 267.A N SER 265.A OG no hydrogen 2.836 N/A TRP 267.A NE1 ASP 306.A OD2 no hydrogen 2.416 N/A ALA 268.A N SER 265.A O no hydrogen 2.814 N/A GLY 270.A N PRO 243.A O no hydrogen 2.806 N/A SER 271.A N GLY 274.A O no hydrogen 3.021 N/A SER 271.A OG GLU 273.A OE2 no hydrogen 2.755 N/A GLU 273.A N SER 271.A OG no hydrogen 2.789 N/A GLY 274.A N SER 271.A O no hydrogen 2.850 N/A THR 278.A N GLY 275.A O no hydrogen 3.157 N/A THR 278.A OG1 GLY 275.A O no hydrogen 3.003 N/A HIS 280.A N ILE 241.A O no hydrogen 2.760 N/A LEU 283.A N HIS 280.A O no hydrogen 2.827 N/A THR 285.A N ASP 288.A OD2 no hydrogen 2.903 N/A ASP 287.A N THR 285.A OG1 no hydrogen 2.959 N/A ASP 288.A N THR 285.A O no hydrogen 2.916 N/A ASP 290.A N ILE 286.A O no hydrogen 3.050 N/A ASP 291.A N ASP 287.A O no hydrogen 2.789 N/A PHE 292.A N ASP 288.A O no hydrogen 2.872 N/A VAL 293.A N PHE 289.A O no hydrogen 2.811 N/A SER 294.A N ASP 290.A O no hydrogen 3.072 N/A ALA 295.A N ASP 291.A O no hydrogen 2.941 N/A ALA 296.A N PHE 292.A O no hydrogen 3.060 N/A ARG 297.A N VAL 293.A O no hydrogen 2.952 N/A ASP 298.A N SER 294.A O no hydrogen 3.090 N/A LEU 299.A N ALA 295.A O no hydrogen 3.336 N/A LEU 299.A N ALA 296.A O no hydrogen 2.772 N/A GLY 300.A N ARG 297.A O no hydrogen 3.286 N/A MET 301.A N ALA 296.A O no hydrogen 3.061 N/A GLU 302.A N ASP 234.A O no hydrogen 3.020 N/A ALA 304.A N VAL 236.A O no hydrogen 2.720 N/A LEU 305.A N PHE 376.A O no hydrogen 3.307 N/A ASP 306.A N LEU 238.A O no hydrogen 3.278 N/A LEU 307.A N ARG 378.A O no hydrogen 3.172 N/A GLN 310.A N ALA 308.A O no hydrogen 2.986 N/A CYS 311.A N TYR 347.A O no hydrogen 3.131 N/A ALA 312.A N ILE 269.A O no hydrogen 2.787 N/A ASP 314.A N ASP 314.A OD1 no hydrogen 2.123 N/A HIS 315.A N ALA 312.A O no hydrogen 3.090 N/A TRP 317.A N HIS 315.A ND1 no hydrogen 2.797 N/A ALA 318.A N HIS 315.A O no hydrogen 2.879 N/A ARG 319.A N PRO 316.A O no hydrogen 3.043 N/A ARG 319.A NH2 GLU 320.A OE2 no hydrogen 3.337 N/A GLU 320.A N PRO 316.A O no hydrogen 2.697 N/A HIS 321.A N TRP 317.A O no hydrogen 3.085 N/A ARG 322.A NE ALA 318.A O no hydrogen 3.172 N/A ARG 322.A NH1 GLY 331.A O no hydrogen 3.034 N/A GLN 323.A N GLN 323.A OE1 no hydrogen 2.465 N/A PHE 325.A N ARG 322.A O no hydrogen 3.077 N/A GLU 327.A N GLU 327.A OE1 no hydrogen 2.190 N/A LEU 328.A N THR 332.A O no hydrogen 2.641 N/A GLY 331.A N LEU 328.A O no hydrogen 3.068 N/A THR 332.A N ASP 330.A OD2 no hydrogen 3.097 N/A THR 332.A OG1 ASP 330.A OD2 no hydrogen 2.159 N/A ALA 336.A N ILE 346.A O no hydrogen 2.651 N/A ASN 338.A N LYS 341.A O no hydrogen 3.046 N/A TYR 343.A N ALA 336.A O no hydrogen 3.049 N/A GLN 344.A N GLN 344.A OE1 no hydrogen 2.323 N/A ASP 345.A N ASP 345.A OD1 no hydrogen 2.262 N/A ILE 346.A N TYR 343.A O no hydrogen 3.056 N/A TYR 347.A N CYS 311.A O no hydrogen 2.565 N/A ASN 350.A N TRP 324.A O no hydrogen 2.604 N/A ASN 350.A ND2 THR 326.A OG1 no hydrogen 2.267 N/A ASP 352.A N ASN 350.A OD1 no hydrogen 2.927 N/A ASN 353.A N ASN 350.A OD1 no hydrogen 3.113 N/A ASN 353.A ND2 GLN 323.A O no hydrogen 2.736 N/A LEU 358.A N ASP 354.A O no hydrogen 2.867 N/A TYR 359.A N PRO 355.A O no hydrogen 2.745 N/A ASP 360.A N GLU 356.A O no hydrogen 3.417 N/A VAL 362.A N LEU 358.A O no hydrogen 2.928 N/A LEU 363.A N TYR 359.A O no hydrogen 3.008 N/A ARG 364.A N ASP 360.A O no hydrogen 2.939 N/A ARG 364.A NE GLU 361.A OE1 no hydrogen 2.983 N/A ARG 364.A NH2 ASP 277.A OD2 no hydrogen 3.300 N/A ARG 364.A NH2 GLU 361.A OE2 no hydrogen 2.807 N/A VAL 365.A N GLU 361.A O no hydrogen 2.794 N/A VAL 366.A N VAL 362.A O no hydrogen 2.940 N/A GLN 367.A N LEU 363.A O no hydrogen 2.994 N/A HIS 368.A N ARG 364.A O no hydrogen 3.194 N/A HIS 368.A N VAL 365.A O no hydrogen 3.075 N/A VAL 370.A N VAL 366.A O no hydrogen 3.211 N/A ASN 371.A N GLN 367.A O no hydrogen 3.096 N/A HIS 372.A N TRP 369.A O no hydrogen 2.803 N/A GLY 373.A N VAL 370.A O no hydrogen 3.138 N/A VAL 374.A N TRP 369.A O no hydrogen 3.101 N/A LYS 375.A NZ ASP 401.A OD1 no hydrogen 2.631 N/A LYS 375.A NZ ASP 401.A OD2 no hydrogen 3.319 N/A PHE 377.A N LEU 405.A O no hydrogen 2.798 N/A ARG 378.A N LEU 305.A O no hydrogen 2.843 N/A VAL 379.A N LEU 407.A O no hydrogen 2.798 N/A ASP 380.A N LEU 307.A O no hydrogen 2.912 N/A ASN 381.A N GLU 409.A OE2 no hydrogen 3.099 N/A THR 384.A N ASN 381.A O no hydrogen 3.084 N/A THR 384.A OG1 ASN 381.A O no hydrogen 3.145 N/A LYS 385.A N PRO 382.A O no hydrogen 3.275 N/A LYS 385.A NZ ASP 380.A O no hydrogen 2.981 N/A LYS 385.A NZ ASN 381.A O no hydrogen 3.285 N/A LYS 385.A NZ THR 384.A OG1 no hydrogen 3.339 N/A PHE 389.A N PRO 386.A O no hydrogen 3.050 N/A TRP 390.A NE1 PRO 382.A O no hydrogen 2.712 N/A ALA 391.A N PRO 387.A O no hydrogen 3.070 N/A TRP 392.A N ASN 388.A O no hydrogen 2.883 N/A LEU 393.A N PHE 389.A O no hydrogen 2.639 N/A ILE 394.A N TRP 390.A O no hydrogen 2.888 N/A ALA 395.A N ALA 391.A O no hydrogen 3.358 N/A GLN 396.A N TRP 392.A O no hydrogen 2.795 N/A VAL 397.A N LEU 393.A O no hydrogen 2.906 N/A LYS 398.A N ILE 394.A O no hydrogen 2.867 N/A LYS 398.A NZ ASP 187.A OD1 no hydrogen 2.375 N/A THR 399.A N ALA 395.A O no hydrogen 3.221 N/A ASP 401.A N VAL 397.A O no hydrogen 3.150 N/A ASP 403.A N ASP 401.A OD2 no hydrogen 3.105 N/A VAL 404.A N ASP 401.A O no hydrogen 3.407 N/A LEU 405.A N LYS 375.A O no hydrogen 2.809 N/A PHE 406.A N THR 426.A OG1 no hydrogen 2.538 N/A LEU 407.A N PHE 377.A O no hydrogen 2.863 N/A SER 408.A N GLN 427.A O no hydrogen 3.088 N/A GLU 409.A N VAL 379.A O no hydrogen 3.319 N/A ARG 416.A N PRO 413.A O no hydrogen 3.133 N/A ARG 416.A NE THR 412.A OG1 no hydrogen 3.061 N/A ARG 416.A NH2 THR 412.A OG1 no hydrogen 3.299 N/A GLN 417.A N PRO 413.A O no hydrogen 2.973 N/A GLN 417.A NE2 TYR 429.A O no hydrogen 3.478 N/A TYR 418.A N PRO 414.A O no hydrogen 2.740 N/A LEU 420.A N ARG 416.A O no hydrogen 2.762 N/A LYS 422.A N TYR 418.A O no hydrogen 3.246 N/A LEU 423.A N LEU 420.A O no hydrogen 3.152 N/A GLY 424.A N ALA 421.A O no hydrogen 2.956 N/A THR 426.A OG1 PHE 406.A O no hydrogen 2.721 N/A GLN 427.A N PHE 406.A O no hydrogen 3.132 N/A GLN 427.A NE2 ALA 191.A O no hydrogen 2.779 N/A SER 428.A N ARG 456.A O no hydrogen 2.831 N/A TYR 429.A N SER 408.A O no hydrogen 2.997 N/A PHE 432.A N SER 430.A OG no hydrogen 3.246 N/A TRP 434.A N TYR 431.A O no hydrogen 3.082 N/A TRP 434.A NE1 GLU 512.A OE2 no hydrogen 2.896 N/A ARG 435.A N PHE 432.A O no hydrogen 2.974 N/A ARG 435.A NH1 TRP 434.A O no hydrogen 3.257 N/A THR 436.A N GLU 440.A OE1 no hydrogen 3.245 N/A THR 437.A OG1 GLU 440.A OE1 no hydrogen 2.703 N/A LYS 438.A NZ VAL 565.A O no hydrogen 2.794 N/A LYS 438.A NZ ASN 567.A O no hydrogen 3.236 N/A LEU 441.A N THR 437.A O no hydrogen 2.790 N/A THR 442.A N LYS 438.A O no hydrogen 2.997 N/A THR 442.A OG1 LYS 438.A O no hydrogen 2.632 N/A GLU 443.A N TRP 439.A O no hydrogen 3.141 N/A PHE 444.A N GLU 440.A O no hydrogen 2.805 N/A GLY 445.A N LEU 441.A O no hydrogen 2.860 N/A ASN 446.A N THR 442.A O no hydrogen 3.025 N/A GLN 447.A N GLU 443.A O no hydrogen 3.036 N/A ILE 448.A N GLY 445.A O no hydrogen 3.024 N/A LEU 451.A N GLN 447.A O no hydrogen 3.012 N/A TYR 454.A N LEU 451.A O no hydrogen 3.098 N/A ARG 455.A N LEU 451.A O no hydrogen 2.764 N/A ARG 456.A NH1 THR 426.A O no hydrogen 3.294 N/A ASN 458.A N SER 428.A O no hydrogen 3.002 N/A ASN 458.A ND2 GLN 427.A OE1 no hydrogen 2.254 N/A LEU 459.A N ALA 492.A O no hydrogen 3.063 N/A VAL 461.A N GLY 494.A O no hydrogen 3.157 N/A ASN 462.A ND2 TYR 496.A O no hydrogen 3.494 N/A ASN 462.A ND2 TYR 514.A OH no hydrogen 2.963 N/A THR 463.A N ILE 466.A O no hydrogen 3.491 N/A ASP 465.A N THR 463.A OG1 no hydrogen 3.284 N/A ILE 466.A N THR 463.A O no hydrogen 2.931 N/A LEU 467.A N GLU 512.A O no hydrogen 2.941 N/A VAL 470.A N HIS 468.A ND1 no hydrogen 2.996 N/A LEU 471.A N HIS 468.A O no hydrogen 3.051 N/A GLN 472.A N ALA 469.A O no hydrogen 2.814 N/A GLN 472.A NE2 LEU 467.A O no hydrogen 3.108 N/A GLN 472.A NE2 SER 511.A O no hydrogen 2.846 N/A HIS 473.A NE2 GLU 509.A OE2 no hydrogen 3.110 N/A ASN 474.A ND2 VAL 470.A O no hydrogen 2.370 N/A MET 478.A N GLY 475.A O no hydrogen 2.985 N/A ALA 480.A N PRO 476.A O no hydrogen 3.422 N/A ILE 481.A N GLY 477.A O no hydrogen 3.160 N/A ARG 482.A N MET 478.A O no hydrogen 2.929 N/A ARG 482.A NH1 ARG 435.A O no hydrogen 3.102 N/A ARG 482.A NH2 ARG 435.A O no hydrogen 3.052 N/A ALA 483.A N PHE 479.A O no hydrogen 3.296 N/A VAL 484.A N ALA 480.A O no hydrogen 2.909 N/A LEU 485.A N ILE 481.A O no hydrogen 3.073 N/A ALA 486.A N ARG 482.A O no hydrogen 2.764 N/A ALA 487.A N ALA 483.A O no hydrogen 2.957 N/A THR 488.A N VAL 484.A O no hydrogen 3.159 N/A THR 488.A OG1 VAL 484.A O no hydrogen 2.301 N/A THR 488.A OG1 LEU 485.A O no hydrogen 3.487 N/A THR 488.A OG1 TYR 573.A OH no hydrogen 2.741 N/A MET 489.A N LEU 485.A O no hydrogen 3.147 N/A SER 490.A OG PRO 457.A O no hydrogen 3.038 N/A SER 490.A OG ALA 492.A O no hydrogen 2.787 N/A ALA 492.A N SER 490.A OG no hydrogen 2.895 N/A TRP 493.A NE1 ASN 545.A OD1 no hydrogen 3.161 N/A GLY 494.A N LEU 459.A O no hydrogen 2.861 N/A MET 495.A N TRP 196.A O no hydrogen 3.040 N/A TYR 496.A N ASN 462.A OD1 no hydrogen 2.855 N/A TYR 496.A OH GLU 518.A OE1 no hydrogen 2.184 N/A CYS 497.A N GLU 198.A O no hydrogen 2.967 N/A CYS 497.A SG TYR 197.A OH no hydrogen 3.555 N/A TYR 499.A N TYR 496.A O no hydrogen 3.203 N/A TYR 499.A OH PHE 479.A O no hydrogen 2.336 N/A GLU 500.A N GLU 500.A OE2 no hydrogen 2.549 N/A LEU 501.A N GLY 498.A O no hydrogen 2.816 N/A PHE 502.A N TYR 499.A O no hydrogen 2.942 N/A VAL 507.A N GLU 513.A O no hydrogen 3.054 N/A SER 511.A N ARG 508.A O no hydrogen 3.157 N/A GLU 513.A N SER 511.A OG no hydrogen 2.994 N/A LEU 515.A N ARG 505.A O no hydrogen 3.121 N/A LYS 519.A N SER 517.A OG no hydrogen 3.161 N/A LYS 519.A NZ ASP 465.A OD1 no hydrogen 2.653 N/A LYS 519.A NZ GLU 513.A OE2 no hydrogen 3.390 N/A TYR 520.A N SER 517.A O no hydrogen 3.249 N/A ARG 523.A N SER 203.A OG no hydrogen 2.683 N/A ARG 523.A NH2 GLU 503.A OE2 no hydrogen 3.295 N/A ARG 525.A NE GLU 503.A OE2 no hydrogen 3.481 N/A ARG 525.A NH1 GLU 518.A OE1 no hydrogen 2.569 N/A ARG 525.A NH2 GLU 503.A OE1 no hydrogen 2.477 N/A SER 529.A OG ASP 526.A OD2 no hydrogen 2.086 N/A LEU 531.A N PHE 527.A O no hydrogen 3.196 N/A ASP 532.A N ALA 528.A O no hydrogen 3.054 N/A GLN 533.A N SER 529.A O no hydrogen 2.800 N/A GLY 534.A N LEU 531.A O no hydrogen 3.241 N/A ARG 535.A N ALA 530.A O no hydrogen 2.883 N/A ARG 535.A NE GLN 533.A OE1 no hydrogen 2.528 N/A ARG 535.A NH2 GLN 533.A OE1 no hydrogen 3.386 N/A LEU 537.A N GLU 500.A O no hydrogen 2.878 N/A GLN 538.A N SER 536.A OG no hydrogen 2.854 N/A ILE 541.A N LEU 537.A O no hydrogen 3.085 N/A THR 542.A N GLN 538.A O no hydrogen 3.087 N/A THR 542.A OG1 GLN 538.A O no hydrogen 2.549 N/A THR 542.A OG1 PRO 539.A O no hydrogen 3.475 N/A ARG 543.A N PRO 539.A O no hydrogen 3.070 N/A LEU 544.A N PHE 540.A O no hydrogen 2.871 N/A ASN 545.A N ILE 541.A O no hydrogen 2.903 N/A ASN 545.A ND2 MET 231.A O no hydrogen 2.768 N/A ASN 545.A ND2 ILE 541.A O no hydrogen 3.343 N/A ILE 546.A N THR 542.A O no hydrogen 2.933 N/A ILE 547.A N ARG 543.A O no hydrogen 3.170 N/A ARG 548.A N LEU 544.A O no hydrogen 3.207 N/A ARG 548.A NH1 ALA 487.A O no hydrogen 2.647 N/A ARG 548.A NH1 SER 490.A O no hydrogen 3.416 N/A ARG 548.A NH2 PRO 491.A O no hydrogen 2.557 N/A ARG 549.A N ASN 545.A O no hydrogen 3.105 N/A ARG 549.A NH2 ASP 234.A OD1 no hydrogen 3.360 N/A LEU 550.A N ILE 546.A O no hydrogen 2.851 N/A HIS 551.A N ILE 547.A O no hydrogen 2.990 N/A HIS 551.A ND1 ASP 582.A OD1 no hydrogen 3.133 N/A HIS 551.A NE2 GLU 620.A OE2 no hydrogen 2.122 N/A ALA 553.A N ASP 582.A OD2 no hydrogen 3.252 N/A PHE 554.A N HIS 551.A O no hydrogen 2.990 N/A GLN 555.A N PRO 552.A O no hydrogen 3.191 N/A GLN 556.A N ALA 553.A O no hydrogen 3.194 N/A ARG 558.A NH2 ASP 453.A OD2 no hydrogen 3.060 N/A THR 559.A OG1 PHE 576.A O no hydrogen 2.810 N/A HIS 561.A N SER 574.A O no hydrogen 2.854 N/A HIS 563.A N ALA 572.A O no hydrogen 2.893 N/A HIS 563.A NE2 SER 574.A OG no hydrogen 2.990 N/A ASP 566.A N THR 599.A O no hydrogen 3.439 N/A ASN 567.A N VAL 565.A O no hydrogen 2.542 N/A ASN 567.A ND2 GLU 597.A O no hydrogen 2.859 N/A ALA 569.A N ASN 567.A OD1 no hydrogen 2.937 N/A LEU 570.A N ASN 567.A O no hydrogen 3.011 N/A LEU 571.A N VAL 588.A O no hydrogen 2.953 N/A TYR 573.A N VAL 586.A O no hydrogen 3.121 N/A TYR 573.A OH THR 488.A OG1 no hydrogen 2.741 N/A SER 574.A N HIS 561.A O no hydrogen 2.688 N/A SER 574.A OG HIS 561.A O no hydrogen 3.512 N/A SER 574.A OG HIS 563.A NE2 no hydrogen 2.990 N/A LYS 575.A N VAL 584.A O no hydrogen 2.997 N/A LYS 575.A NZ THR 488.A O no hydrogen 2.778 N/A LYS 575.A NZ MET 489.A O no hydrogen 2.789 N/A LYS 575.A NZ GLN 556.A O no hydrogen 3.224 N/A PHE 576.A N THR 559.A OG1 no hydrogen 3.154 N/A ASP 577.A N ASP 582.A O no hydrogen 2.930 N/A ALA 579.A N ASP 577.A OD1 no hydrogen 2.560 N/A THR 580.A N ASP 577.A OD2 no hydrogen 3.340 N/A GLY 581.A N ASP 577.A O no hydrogen 2.805 N/A CYS 583.A SG LYS 575.A O no hydrogen 4.020 N/A VAL 584.A N LYS 575.A O no hydrogen 2.963 N/A LEU 585.A N ILE 646.A O no hydrogen 2.931 N/A VAL 586.A N TYR 573.A O no hydrogen 2.896 N/A VAL 587.A N HIS 644.A O no hydrogen 3.017 N/A VAL 588.A N LEU 571.A O no hydrogen 3.061 N/A THR 589.A N VAL 642.A O no hydrogen 3.425 N/A THR 589.A OG1 ASN 591.A O no hydrogen 2.870 N/A LEU 590.A N ALA 569.A O no hydrogen 2.739 N/A ASN 591.A N THR 589.A OG1 no hydrogen 3.067 N/A ASN 591.A ND2 THR 589.A OG1 no hydrogen 3.356 N/A ASN 591.A ND2 GLY 594.A O no hydrogen 2.893 N/A GLY 594.A N ASN 591.A OD1 no hydrogen 2.846 N/A GLU 596.A N ILE 636.A O no hydrogen 3.020 N/A ALA 598.A N ILE 634.A O no hydrogen 2.905 N/A THR 599.A N ASP 566.A OD1 no hydrogen 2.700 N/A LEU 600.A N ASN 632.A O no hydrogen 2.733 N/A TRP 601.A N HIS 564.A O no hydrogen 2.730 N/A LEU 602.A N GLN 630.A O no hydrogen 3.000 N/A ASP 603.A N HIS 563.A ND1 no hydrogen 2.929 N/A ALA 606.A N ASP 603.A O no hydrogen 2.946 N/A LEU 607.A N MET 604.A O no hydrogen 2.936 N/A GLY 608.A N ALA 605.A O no hydrogen 3.079 N/A MET 609.A N MET 604.A O no hydrogen 2.941 N/A GLU 610.A N ASP 613.A OD2 no hydrogen 3.137 N/A ASP 613.A N GLU 610.A O no hydrogen 3.201 N/A ARG 614.A NE GLN 627.A OE1 no hydrogen 2.929 N/A PHE 615.A N TRP 628.A O no hydrogen 3.104 N/A VAL 617.A N TYR 626.A O no hydrogen 2.925 N/A ARG 618.A N ASN 647.A O no hydrogen 3.169 N/A ARG 618.A NE GLU 620.A OE1 no hydrogen 2.943 N/A ARG 618.A NH2 GLU 620.A OE1 no hydrogen 2.646 N/A ARG 618.A NH2 GLU 620.A OE2 no hydrogen 3.400 N/A ASP 619.A N GLU 624.A O no hydrogen 2.973 N/A GLU 620.A N ILE 645.A O no hydrogen 2.815 N/A ILE 621.A N ASP 619.A OD1 no hydrogen 3.017 N/A THR 622.A N ASP 619.A OD1 no hydrogen 3.311 N/A GLY 623.A N ASP 619.A O no hydrogen 2.554 N/A TYR 626.A N VAL 617.A O no hydrogen 3.142 N/A TRP 628.A N PHE 615.A O no hydrogen 2.923 N/A GLY 629.A N ASN 632.A OD1 no hydrogen 2.700 N/A ASN 632.A N LEU 600.A O no hydrogen 3.057 N/A ASN 632.A ND2 GLY 629.A O no hydrogen 2.493 N/A ILE 634.A N ALA 598.A O no hydrogen 2.945 N/A ILE 636.A N GLU 596.A O no hydrogen 2.889 N/A ARG 640.A N ASP 637.A O no hydrogen 3.086 N/A ALA 641.A N ASP 637.A O no hydrogen 2.852 N/A HIS 644.A N VAL 587.A O no hydrogen 2.940 N/A ILE 646.A N LEU 585.A O no hydrogen 2.771 N/A ASN 647.A N ARG 618.A O no hydrogen 2.648 N/A MET 648.A N CYS 583.A O no hydrogen 3.091 N/A VAL 651.A N GLY 581.A O no hydrogen 2.888 N/A GLU 654.A N PRO 652.A O no hydrogen 2.605 N/A SER 655.A OG PRO 652.A O no hydrogen 2.888 N/A ARG 656.A NE GLN 76.A OE1 no hydrogen 2.463 N/A THR 658.A N GLU 654.A O no hydrogen 3.327 N/A THR 658.A N SER 655.A O no hydrogen 3.164 N/A THR 658.A OG1 GLU 654.A O no hydrogen 2.436 N/A THR 658.A OG1 SER 655.A O no hydrogen 3.549 N/A LEU 659.A N ARG 656.A O no hydrogen 3.365 N/A LEU 660.A N ASN 657.A O no hydrogen 3.232 N/A