Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH TYR 114.A OH no hydrogen 2.683 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.860 N/A ASP 14.A N ARG 11.A O no hydrogen 2.912 N/A CYS 15.A N ALA 12.A O no hydrogen 3.421 N/A CYS 15.A SG ASN 6.A O no hydrogen 3.232 N/A CYS 15.A SG ARG 11.A O no hydrogen 3.713 N/A MET 16.A N PHE 47.A O no hydrogen 3.013 N/A ALA 19.A N VAL 118.A O no hydrogen 3.165 N/A ALA 20.A N ILE 51.A O no hydrogen 2.956 N/A LEU 26.A N GLY 22.A O no hydrogen 3.095 N/A SER 27.A N ASP 23.A O no hydrogen 2.891 N/A SER 27.A OG SER 24.A O no hydrogen 2.669 N/A LEU 28.A N SER 24.A O no hydrogen 2.970 N/A LEU 29.A N ALA 25.A O no hydrogen 2.904 N/A ARG 30.A N LEU 26.A O no hydrogen 2.869 N/A ARG 30.A NH2 THR 2.A OG1 no hydrogen 3.068 N/A THR 31.A N SER 27.A O no hydrogen 2.943 N/A THR 31.A OG1 SER 27.A O no hydrogen 2.843 N/A GLY 32.A N LEU 28.A O no hydrogen 2.933 N/A LEU 33.A N LEU 29.A O no hydrogen 2.901 N/A THR 34.A N ARG 30.A O no hydrogen 2.889 N/A THR 34.A OG1 ARG 30.A O no hydrogen 2.941 N/A THR 34.A OG1 THR 31.A O no hydrogen 3.084 N/A LYS 37.A N LEU 35.A O no hydrogen 2.738 N/A SER 38.A OG SER 38.A O no hydrogen 2.325 N/A PHE 45.A N SER 44.A OG no hydrogen 2.604 N/A CYS 48.A SG SER 44.A O no hydrogen 3.209 N/A CYS 48.A SG ASP 46.A O no hydrogen 3.905 N/A ILE 51.A N LEU 18.A O no hydrogen 3.127 N/A LEU 53.A N ALA 20.A O no hydrogen 2.794 N/A GLY 55.A N GLU 21.A O no hydrogen 3.342 N/A LYS 63.A N ALA 60.A O no hydrogen 3.148 N/A VAL 64.A N ALA 60.A O no hydrogen 2.909 N/A THR 65.A N VAL 77.A O no hydrogen 3.398 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.917 N/A THR 83.A N ASN 79.A O no hydrogen 2.898 N/A THR 83.A OG1 ASN 79.A O no hydrogen 3.292 N/A THR 83.A OG1 GLU 80.A O no hydrogen 2.768 N/A GLN 89.A N ASN 85.A O no hydrogen 3.404 N/A GLY 90.A N LYS 86.A O no hydrogen 2.883 N/A ILE 91.A N VAL 87.A O no hydrogen 2.917 N/A VAL 92.A N LEU 88.A O no hydrogen 2.923 N/A GLN 93.A N GLN 89.A O no hydrogen 2.909 N/A VAL 94.A N GLY 90.A O no hydrogen 2.883 N/A LEU 95.A N ILE 91.A O no hydrogen 2.929 N/A GLY 96.A N VAL 92.A O no hydrogen 2.862 N/A LEU 97.A N VAL 92.A O no hydrogen 3.369 N/A ASP 98.A N TYR 103.A OH no hydrogen 2.694 N/A TYR 103.A OH ASP 98.A O no hydrogen 2.983 N/A LYS 104.A N HIS 102.A O no hydrogen 2.617 N/A THR 105.A OG1 GLU 107.A OE1 no hydrogen 2.756 N/A GLN 106.A NE2 HIS 149.A NE2 no hydrogen 3.049 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.781 N/A ARG 109.A N THR 105.A O no hydrogen 3.263 N/A ARG 109.A NH1 GLY 115.A O no hydrogen 3.125 N/A ALA 110.A N GLN 106.A O no hydrogen 2.876 N/A LYS 111.A N GLU 107.A O no hydrogen 2.936 N/A LYS 111.A NZ GLY 96.A O no hydrogen 3.359 N/A LYS 111.A NZ ASP 98.A OD1 no hydrogen 2.477 N/A LYS 111.A NZ TYR 103.A OH no hydrogen 2.853 N/A LEU 112.A N ARG 109.A O no hydrogen 3.054 N/A ARG 113.A N LEU 95.A O no hydrogen 2.936 N/A TYR 114.A OH TYR 1.A OH no hydrogen 2.683 N/A GLY 115.A N CYS 15.A O no hydrogen 3.072 N/A CYS 116.A SG CYS 15.A O no hydrogen 4.046 N/A ILE 117.A N PHE 151.A O no hydrogen 2.887 N/A VAL 118.A N LEU 17.A O no hydrogen 2.592 N/A ALA 119.A N LYS 153.A O no hydrogen 2.872 N/A CYS 120.A N ALA 19.A O no hydrogen 2.616 N/A GLN 123.A NE2 TYR 174.A O no hydrogen 3.519 N/A CYS 128.A SG ASP 122.A O no hydrogen 3.189 N/A CYS 128.A SG ASP 124.A O no hydrogen 3.183 N/A CYS 128.A SG ASP 126.A O no hydrogen 4.017 N/A ILE 131.A N GLY 127.A O no hydrogen 2.405 N/A LEU 132.A N GLY 127.A O no hydrogen 3.320 N/A LEU 134.A N LYS 130.A O no hydrogen 2.686 N/A LEU 135.A N ILE 131.A O no hydrogen 2.941 N/A LEU 136.A N LEU 132.A O no hydrogen 2.903 N/A ALA 137.A N GLY 133.A O no hydrogen 2.910 N/A TYR 138.A N LEU 134.A O no hydrogen 2.892 N/A PHE 139.A N LEU 135.A O no hydrogen 2.978 N/A HIS 140.A N LEU 136.A O no hydrogen 2.852 N/A LEU 141.A N ALA 137.A O no hydrogen 2.861 N/A PHE 142.A N TYR 138.A O no hydrogen 3.011 N/A TRP 143.A N PHE 139.A O no hydrogen 2.710 N/A ILE 148.A N PRO 144.A O no hydrogen 2.915 N/A HIS 149.A N GLN 145.A O no hydrogen 2.953 N/A GLY 150.A N ILE 147.A O no hydrogen 3.481 N/A PHE 151.A N LEU 146.A O no hydrogen 2.795 N/A LYS 153.A N ILE 117.A O no hydrogen 2.904 N/A ARG 154.A N TYR 220.A O no hydrogen 2.822 N/A LEU 155.A N ALA 119.A O no hydrogen 2.889 N/A LEU 159.A N PHE 173.A O no hydrogen 3.069 N/A ILE 160.A N PHE 173.A O no hydrogen 3.180 N/A ARG 161.A N LYS 195.A O no hydrogen 2.937 N/A TYR 163.A N THR 193.A O no hydrogen 2.896 N/A TYR 163.A OH GLU 207.A OE1 no hydrogen 3.068 N/A LYS 165.A N ASN 191.A OD1 no hydrogen 3.241 N/A LYS 167.A N GLU 164.A O no hydrogen 3.040 N/A LYS 167.A NZ MET 169.A O no hydrogen 3.035 N/A THR 168.A OG1 THR 168.A O no hydrogen 2.429 N/A PHE 173.A N ILE 160.A O no hydrogen 3.162 N/A TYR 174.A N GLU 178.A OE1 no hydrogen 3.354 N/A TYR 175.A OH ASP 277.A OD1 no hydrogen 3.100 N/A TYR 175.A OH ASP 277.A OD2 no hydrogen 3.417 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.761 N/A GLN 177.A N GLN 177.A OE1 no hydrogen 2.741 N/A PHE 179.A N TYR 175.A O no hydrogen 3.202 N/A ASP 180.A N GLU 176.A O no hydrogen 2.894 N/A ALA 181.A N GLN 177.A O no hydrogen 2.910 N/A TRP 182.A N GLU 178.A O no hydrogen 2.916 N/A ALA 183.A N PHE 179.A O no hydrogen 2.879 N/A LYS 184.A N ASP 180.A O no hydrogen 2.927 N/A LYS 185.A N ALA 181.A O no hydrogen 2.917 N/A GLN 186.A N TRP 182.A O no hydrogen 3.035 N/A THR 193.A N TYR 163.A O no hydrogen 2.886 N/A THR 193.A OG1 TYR 163.A O no hydrogen 3.076 N/A LYS 195.A N ARG 161.A O no hydrogen 2.885 N/A TYR 197.A N LEU 159.A O no hydrogen 2.939 N/A LYS 198.A NZ GLU 410.A OE2 no hydrogen 2.405 N/A LYS 198.A NZ ASP 411.A OD1 no hydrogen 3.306 N/A LEU 200.A N ASP 122.A OD1 no hydrogen 2.956 N/A HIS 203.A N LEU 200.A O no hydrogen 3.340 N/A THR 205.A N ASP 204.A OD1 no hydrogen 2.779 N/A VAL 208.A N ASP 204.A O no hydrogen 2.720 N/A LYS 209.A N THR 205.A O no hydrogen 2.947 N/A LYS 209.A NZ THR 205.A O no hydrogen 3.006 N/A SER 210.A N HIS 206.A O no hydrogen 2.901 N/A SER 210.A OG HIS 206.A O no hydrogen 3.017 N/A SER 210.A OG GLU 207.A O no hydrogen 2.598 N/A MET 211.A N GLU 207.A O no hydrogen 2.954 N/A PHE 212.A N VAL 208.A O no hydrogen 2.887 N/A LYS 213.A N LYS 209.A O no hydrogen 2.921 N/A HIS 214.A ND1 SER 210.A O no hydrogen 3.331 N/A PHE 215.A N PHE 212.A O no hydrogen 3.304 N/A ASN 217.A N HIS 214.A O no hydrogen 2.966 N/A TYR 220.A N ARG 154.A O no hydrogen 2.890 N/A THR 221.A N ARG 266.A O no hydrogen 2.843 N/A PHE 222.A N VAL 152.A O no hydrogen 2.939 N/A THR 223.A N ILE 268.A O no hydrogen 2.874 N/A THR 223.A OG1 ILE 268.A O no hydrogen 3.378 N/A ALA 228.A N ASP 225.A O no hydrogen 3.391 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.721 N/A PHE 232.A N ALA 228.A O no hydrogen 2.890 N/A HIS 233.A N LYS 229.A O no hydrogen 2.935 N/A ILE 234.A N GLU 230.A O no hydrogen 2.894 N/A TYR 235.A N LEU 231.A O no hydrogen 2.931 N/A PHE 236.A N PHE 232.A O no hydrogen 3.076 N/A ARG 243.A N SER 240.A O no hydrogen 2.944 N/A ARG 243.A NE ILE 234.A O no hydrogen 3.495 N/A ARG 243.A NH2 TYR 235.A O no hydrogen 3.558 N/A ARG 243.A NH2 GLY 237.A O no hydrogen 2.857 N/A LYS 244.A N SER 240.A O no hydrogen 3.176 N/A ARG 245.A N GLU 241.A O no hydrogen 3.485 N/A ARG 245.A NH2 GLU 241.A OE1 no hydrogen 3.113 N/A GLU 246.A N ARG 243.A O no hydrogen 2.948 N/A LEU 247.A N LYS 244.A O no hydrogen 2.982 N/A CYS 248.A SG LYS 244.A O no hydrogen 3.566 N/A CYS 248.A SG ARG 245.A O no hydrogen 3.287 N/A THR 249.A OG1 GLY 250.A O no hydrogen 3.205 N/A THR 255.A N GLN 258.A OE1 no hydrogen 3.010 N/A THR 255.A OG1 GLN 258.A OE1 no hydrogen 2.726 N/A GLN 258.A N THR 255.A OG1 no hydrogen 3.195 N/A THR 259.A N THR 255.A O no hydrogen 3.100 N/A THR 259.A OG1 THR 255.A O no hydrogen 3.110 N/A GLN 260.A N GLU 256.A O no hydrogen 2.907 N/A SER 261.A N THR 257.A O no hydrogen 2.891 N/A ILE 262.A N GLN 258.A O no hydrogen 2.907 N/A HIS 263.A N THR 259.A O no hydrogen 2.933 N/A SER 264.A N GLN 260.A O no hydrogen 2.870 N/A SER 264.A OG GLN 260.A O no hydrogen 2.805 N/A SER 264.A OG SER 261.A O no hydrogen 3.208 N/A VAL 265.A N SER 261.A O no hydrogen 3.352 N/A ARG 266.A NH1 ASN 217.A OD1 no hydrogen 3.319 N/A ARG 266.A NH2 ASN 217.A OD1 no hydrogen 2.858 N/A ARG 267.A N VAL 265.A O no hydrogen 2.744 N/A ILE 268.A N THR 221.A O no hydrogen 2.887 N/A CYS 270.A N THR 223.A O no hydrogen 2.900 N/A CYS 270.A SG THR 223.A O no hydrogen 3.395 N/A SER 271.A OG ASP 225.A OD2 no hydrogen 3.301 N/A HIS 273.A N PRO 269.A O no hydrogen 3.397 N/A HIS 273.A ND1 ASP 277.A OD2 no hydrogen 3.039 N/A LEU 274.A N CYS 270.A O no hydrogen 2.915 N/A GLN 275.A N SER 271.A O no hydrogen 2.890 N/A VAL 276.A N LEU 272.A O no hydrogen 2.935 N/A ASP 277.A N HIS 273.A O no hydrogen 2.906 N/A THR 278.A N HIS 273.A O no hydrogen 3.391 N/A THR 278.A OG1 GLY 129.A O no hydrogen 2.953 N/A LYS 279.A N LEU 274.A O no hydrogen 3.350 N/A LYS 279.A NZ THR 249.A OG1 no hydrogen 2.710 N/A LYS 279.A NZ GLY 250.A O no hydrogen 2.705 N/A ALA 280.A N VAL 276.A O no hydrogen 2.920 N/A TYR 281.A N ASP 277.A O no hydrogen 2.945 N/A LYS 282.A N THR 278.A O no hydrogen 2.904 N/A LYS 282.A NZ TYR 235.A O no hydrogen 2.829 N/A LYS 282.A NZ GLU 437.A OE1 no hydrogen 3.136 N/A LEU 283.A N LYS 279.A O no hydrogen 2.946 N/A ASP 284.A N ALA 280.A O no hydrogen 2.950 N/A ALA 285.A N TYR 281.A O no hydrogen 2.834 N/A ILE 286.A N LYS 282.A O no hydrogen 2.938 N/A GLU 287.A N LEU 283.A O no hydrogen 2.963 N/A ARG 288.A N ASP 284.A O no hydrogen 2.841 N/A ARG 288.A NE ASP 284.A O no hydrogen 3.513 N/A ILE 290.A N ILE 286.A O no hydrogen 3.032 N/A LEU 294.A N ASN 292.A OD1 no hydrogen 3.259 N/A GLY 296.A N ASN 292.A O no hydrogen 2.418 N/A ARG 299.A NH1 ASP 284.A OD1 no hydrogen 3.156 N/A ARG 299.A NH2 ASP 284.A OD1 no hydrogen 3.542 N/A ARG 302.A N THR 298.A O no hydrogen 2.646 N/A ARG 302.A NE ASP 295.A OD2 no hydrogen 2.484 N/A LYS 303.A N ARG 299.A O no hydrogen 2.877 N/A ILE 304.A N ALA 300.A O no hydrogen 2.916 N/A LEU 305.A N ARG 301.A O no hydrogen 2.918 N/A ALA 306.A N ARG 302.A O no hydrogen 2.911 N/A GLY 307.A N LYS 303.A O no hydrogen 2.914 N/A GLY 308.A N ILE 304.A O no hydrogen 2.867 N/A VAL 309.A N LEU 305.A O no hydrogen 2.895 N/A LYS 310.A N ALA 306.A O no hydrogen 2.963 N/A CYS 311.A N GLY 307.A O no hydrogen 2.851 N/A PHE 312.A N GLY 308.A O no hydrogen 2.920 N/A ASN 316.A ND2 LEU 388.A O no hydrogen 2.863 N/A ARG 319.A N GLU 318.A OE2 no hydrogen 2.732 N/A LYS 320.A NZ ARG 382.A O no hydrogen 2.874 N/A VAL 321.A N ILE 384.A O no hydrogen 3.077 N/A PHE 322.A N PRO 381.A O no hydrogen 3.305 N/A PHE 324.A N LYS 320.A O no hydrogen 2.949 N/A GLY 325.A N VAL 321.A O no hydrogen 2.853 N/A GLY 326.A N PHE 322.A O no hydrogen 2.933 N/A TYR 327.A N GLN 323.A O no hydrogen 2.898 N/A VAL 328.A N PHE 324.A O no hydrogen 2.917 N/A ALA 329.A N GLY 325.A O no hydrogen 2.902 N/A ASP 330.A N GLY 326.A O no hydrogen 2.926 N/A HIS 331.A N TYR 327.A O no hydrogen 2.899 N/A MET 332.A N VAL 328.A O no hydrogen 3.146 N/A TYR 334.A OH SER 340.A OG no hydrogen 2.917 N/A SER 340.A OG TYR 334.A OH no hydrogen 2.917 N/A ASN 342.A N ASP 338.A O no hydrogen 2.891 N/A THR 343.A N MET 339.A O no hydrogen 2.888 N/A THR 343.A OG1 MET 339.A O no hydrogen 2.573 N/A SER 344.A N SER 340.A O no hydrogen 2.917 N/A SER 344.A OG SER 340.A O no hydrogen 3.053 N/A ILE 345.A N LEU 341.A O no hydrogen 2.919 N/A ILE 346.A N ASN 342.A O no hydrogen 2.917 N/A LYS 347.A N THR 343.A O no hydrogen 2.904 N/A ALA 348.A N SER 344.A O no hydrogen 2.893 N/A ALA 349.A N ILE 345.A O no hydrogen 2.952 N/A ALA 349.A N ILE 346.A O no hydrogen 3.235 N/A GLN 350.A NE2 GLY 375.A O no hydrogen 3.114 N/A TYR 352.A OH GLN 350.A OE1 no hydrogen 3.423 N/A SER 355.A N TYR 352.A O no hydrogen 2.994 N/A SER 355.A OG TYR 352.A O no hydrogen 3.207 N/A SER 355.A OG HIS 357.A O no hydrogen 3.086 N/A ILE 363.A N GLN 387.A O no hydrogen 2.871 N/A ILE 365.A N SER 385.A O no hydrogen 2.916 N/A SER 367.A OG SER 367.A O no hydrogen 2.471 N/A HIS 372.A NE2 SER 551.A O no hydrogen 2.782 N/A LYS 376.A N LEU 373.A O no hydrogen 3.271 N/A ASP 377.A N ASP 377.A OD1 no hydrogen 2.424 N/A GLY 379.A N SER 367.A O no hydrogen 3.068 N/A ILE 384.A N SER 380.A O no hydrogen 3.186 N/A SER 385.A N ILE 365.A O no hydrogen 2.943 N/A SER 385.A OG ILE 365.A O no hydrogen 2.826 N/A VAL 386.A N ARG 319.A O no hydrogen 2.846 N/A GLN 387.A N ILE 363.A O no hydrogen 2.894 N/A LEU 388.A N ASN 316.A OD1 no hydrogen 3.119 N/A ALA 389.A N VAL 361.A O no hydrogen 3.434 N/A ILE 393.A N ALA 389.A O no hydrogen 3.093 N/A LYS 394.A N SER 390.A O no hydrogen 2.899 N/A THR 395.A N GLU 391.A O no hydrogen 2.950 N/A THR 395.A OG1 GLU 391.A O no hydrogen 2.772 N/A THR 395.A OG1 PHE 392.A O no hydrogen 3.053 N/A MET 396.A N ILE 393.A O no hydrogen 3.081 N/A PHE 397.A N ILE 393.A O no hydrogen 2.749 N/A GLU 400.A N GLU 400.A OE1 no hydrogen 2.880 N/A SER 402.A N PRO 398.A O no hydrogen 2.756 N/A TRP 403.A N ALA 399.A O no hydrogen 2.934 N/A TYR 407.A OH SER 402.A O no hydrogen 2.782 N/A VAL 408.A N GLU 416.A O no hydrogen 3.152 N/A GLU 410.A N GLN 413.A O no hydrogen 2.869 N/A GLN 413.A N GLU 410.A O no hydrogen 2.973 N/A GLU 418.A N PRO 406.A O no hydrogen 2.587 N/A ILE 428.A N PRO 425.A O no hydrogen 2.786 N/A MET 429.A N PRO 425.A O no hydrogen 3.318 N/A GLU 430.A N LEU 426.A O no hydrogen 3.121 N/A TYR 431.A N SER 356.A O no hydrogen 3.436 N/A ASN 434.A N TYR 441.A O no hydrogen 2.859 N/A ASN 434.A ND2 GLN 289.A O no hydrogen 3.507 N/A SER 436.A OG ALA 285.A O no hydrogen 3.508 N/A SER 436.A OG GLN 289.A OE1 no hydrogen 3.068 N/A TRP 439.A NE1 GLU 607.A OE2 no hydrogen 2.479 N/A TYR 441.A N ASN 434.A O no hydrogen 2.883 N/A THR 442.A N HIS 595.A O no hydrogen 3.092 N/A THR 442.A OG1 HIS 593.A O no hydrogen 3.410 N/A THR 442.A OG1 HIS 595.A ND1 no hydrogen 2.865 N/A THR 443.A N GLY 432.A O no hydrogen 3.055 N/A TRP 444.A N TYR 611.A OH no hydrogen 2.701 N/A TRP 444.A NE1 HIS 593.A O no hydrogen 2.420 N/A ARG 446.A N ILE 428.A O no hydrogen 3.453 N/A GLN 447.A N ARG 483.A O no hydrogen 2.968 N/A GLN 447.A NE2 ASN 486.A OD1 no hydrogen 3.531 N/A ALA 453.A N GLU 449.A O no hydrogen 3.102 N/A LEU 454.A N ASP 450.A O no hydrogen 2.912 N/A VAL 455.A N ILE 451.A O no hydrogen 2.927 N/A ARG 456.A N LEU 452.A O no hydrogen 2.895 N/A ALA 457.A N ALA 453.A O no hydrogen 2.873 N/A TYR 458.A N LEU 454.A O no hydrogen 2.968 N/A VAL 459.A N VAL 455.A O no hydrogen 2.906 N/A VAL 459.A N ARG 456.A O no hydrogen 3.208 N/A ASP 460.A N ARG 456.A O no hydrogen 2.616 N/A ASP 462.A N ASP 460.A OD1 no hydrogen 3.125 N/A HIS 466.A N ASN 463.A O no hydrogen 3.083 N/A GLU 467.A N GLU 467.A OE1 no hydrogen 2.880 N/A LEU 469.A N LYS 465.A O no hydrogen 2.711 N/A HIS 470.A N HIS 466.A O no hydrogen 2.927 N/A TYR 471.A N GLU 467.A O no hydrogen 2.911 N/A ALA 472.A N LEU 468.A O no hydrogen 2.917 N/A ILE 473.A N LEU 469.A O no hydrogen 2.869 N/A LYS 474.A N HIS 470.A O no hydrogen 3.009 N/A LYS 474.A NZ HIS 470.A O no hydrogen 3.001 N/A HIS 475.A N TYR 471.A O no hydrogen 2.904 N/A ILE 477.A N ALA 472.A O no hydrogen 3.355 N/A THR 478.A OG1 ILE 477.A O no hydrogen 2.611 N/A ARG 483.A NH2 GLN 447.A OE1 no hydrogen 3.524 N/A SER 485.A N ALA 445.A O no hydrogen 2.822 N/A TYR 487.A OH TYR 351.A OH no hydrogen 2.919 N/A LYS 494.A N TYR 501.A O no hydrogen 2.935 N/A PHE 496.A N TYR 499.A O no hydrogen 2.922 N/A TYR 499.A N PHE 496.A O no hydrogen 2.923 N/A TYR 501.A N LYS 494.A O no hydrogen 2.860 N/A SER 502.A N ASN 590.A O no hydrogen 2.876 N/A SER 502.A OG ASN 590.A O no hydrogen 3.209 N/A TYR 503.A N HIS 492.A O no hydrogen 3.300 N/A TYR 503.A OH GLU 578.A O no hydrogen 2.568 N/A GLY 504.A N LEU 588.A O no hydrogen 3.006 N/A THR 505.A N GLU 519.A O no hydrogen 2.908 N/A TYR 506.A OH ASP 580.A OD2 no hydrogen 3.065 N/A ASP 507.A N THR 516.A O no hydrogen 2.832 N/A GLN 511.A N GLN 511.A OE1 no hydrogen 2.651 N/A ARG 512.A N SER 509.A O no hydrogen 3.105 N/A ARG 512.A NE ARG 512.A O no hydrogen 2.947 N/A ASN 513.A N SER 509.A O no hydrogen 2.573 N/A ILE 515.A N VAL 559.A O no hydrogen 2.944 N/A THR 516.A N ASP 507.A O no hydrogen 3.215 N/A THR 516.A OG1 ASP 507.A O no hydrogen 3.290 N/A ILE 517.A N ILE 557.A O no hydrogen 2.938 N/A THR 518.A N THR 505.A O no hydrogen 3.230 N/A THR 526.A OG1 PRO 525.A O no hydrogen 2.360 N/A TYR 529.A OH LEU 586.A O no hydrogen 2.336 N/A GLU 531.A N VAL 527.A O no hydrogen 3.043 N/A SER 532.A N ALA 528.A O no hydrogen 2.889 N/A SER 532.A OG ALA 528.A O no hydrogen 3.351 N/A SER 532.A OG TYR 529.A O no hydrogen 2.705 N/A ILE 533.A N TYR 529.A O no hydrogen 2.880 N/A LYS 534.A N ILE 530.A O no hydrogen 3.123 N/A LYS 534.A N GLU 531.A O no hydrogen 3.235 N/A LYS 535.A N SER 532.A O no hydrogen 3.176 N/A ARG 539.A NE PHE 585.A O no hydrogen 2.573 N/A ARG 539.A NH1 SER 536.A OG no hydrogen 3.412 N/A ARG 539.A NH2 ASN 584.A O no hydrogen 2.613 N/A ARG 539.A NH2 PHE 585.A O no hydrogen 2.967 N/A MET 540.A N SER 536.A O no hydrogen 3.303 N/A MET 540.A N SER 537.A O no hydrogen 2.931 N/A THR 541.A N ASN 538.A O no hydrogen 2.931 N/A THR 541.A OG1 ASN 538.A O no hydrogen 2.363 N/A PHE 542.A N ARG 539.A O no hydrogen 3.044 N/A ILE 543.A N ARG 539.A O no hydrogen 3.001 N/A GLU 544.A N LYS 560.A O no hydrogen 2.663 N/A GLU 545.A N LYS 560.A O no hydrogen 2.924 N/A ILE 547.A N LEU 558.A O no hydrogen 2.906 N/A TYR 549.A N GLU 556.A O no hydrogen 3.148 N/A SER 550.A OG ASP 548.A OD1 no hydrogen 2.456 N/A SER 550.A OG ASP 548.A OD2 no hydrogen 2.988 N/A SER 551.A OG SER 552.A O no hydrogen 3.216 N/A THR 554.A OG1 GLU 556.A OE1 no hydrogen 3.382 N/A ILE 557.A N ILE 517.A O no hydrogen 2.918 N/A LEU 558.A N ILE 547.A O no hydrogen 2.927 N/A VAL 559.A N ILE 515.A O no hydrogen 2.879 N/A LYS 560.A N GLU 545.A O no hydrogen 2.906 N/A LYS 562.A NZ THR 541.A O no hydrogen 3.410 N/A SER 565.A N LYS 562.A O no hydrogen 3.134 N/A SER 565.A OG PHE 542.A O no hydrogen 2.761 N/A SER 565.A OG LYS 562.A O no hydrogen 2.805 N/A ILE 569.A N SER 565.A O no hydrogen 3.346 N/A VAL 570.A N ASN 567.A O no hydrogen 2.919 N/A GLU 571.A N ARG 568.A O no hydrogen 2.944 N/A GLU 572.A N ARG 568.A O no hydrogen 2.891 N/A ASP 580.A N GLU 583.A OE1 no hydrogen 2.579 N/A SER 581.A OG GLU 575.A OE2 no hydrogen 3.383 N/A ASN 584.A N ASP 580.A O no hydrogen 3.039 N/A ASN 584.A ND2 LYS 574.A O no hydrogen 3.418 N/A PHE 585.A N SER 581.A O no hydrogen 2.890 N/A LEU 586.A N ILE 582.A O no hydrogen 2.890 N/A ARG 587.A NH2 SER 532.A OG no hydrogen 2.458 N/A LEU 588.A N GLU 583.A O no hydrogen 3.018 N/A ASN 590.A N SER 502.A O no hydrogen 2.923 N/A CYS 591.A SG HIS 593.A NE2 no hydrogen 3.183 N/A LEU 592.A N TYR 500.A O no hydrogen 2.936 N/A HIS 595.A N THR 442.A O no hydrogen 3.254 N/A HIS 595.A N THR 442.A OG1 no hydrogen 2.420 N/A ASN 597.A N HIS 595.A O no hydrogen 3.022 N/A PHE 598.A N ILE 606.A O no hydrogen 2.950 N/A VAL 599.A N PRO 291.A O no hydrogen 3.257 N/A LYS 600.A N GLY 604.A O no hydrogen 2.537 N/A ILE 606.A N PHE 598.A O no hydrogen 2.856 N/A PHE 608.A N LEU 596.A O no hydrogen 2.898 N/A ASN 609.A N GLU 613.A OE1 no hydrogen 2.406 N/A ASN 609.A ND2 GLU 613.A OE2 no hydrogen 2.634 N/A SER 610.A N GLU 613.A OE1 no hydrogen 3.189 N/A TYR 611.A OH TRP 444.A O no hydrogen 3.199 N/A TYR 612.A OH LEU 480.A O no hydrogen 2.743 N/A LEU 615.A N TYR 611.A O no hydrogen 2.934 N/A TYR 616.A N TYR 612.A O no hydrogen 2.872 N/A ALA 617.A N GLU 613.A O no hydrogen 2.918 N/A TRP 618.A N ILE 614.A O no hydrogen 2.915 N/A TRP 618.A NE1 PRO 422.A O no hydrogen 3.010 N/A LEU 619.A N LEU 615.A O no hydrogen 2.922 N/A ARG 622.A N TRP 618.A O no hydrogen 3.528 N/A ARG 622.A NH1 ASP 401.A OD2 no hydrogen 3.309 N/A ARG 622.A NH2 ASP 401.A OD2 no hydrogen 2.959 N/A ARG 623.A N LEU 619.A O no hydrogen 3.037 N/A GLU 624.A N PRO 620.A O no hydrogen 2.947 N/A GLU 624.A N GLU 624.A OE1 no hydrogen 3.081 N/A LEU 625.A N TYR 621.A O no hydrogen 2.949 N/A TYR 626.A N ARG 622.A O no hydrogen 2.921 N/A TYR 626.A OH GLU 756.A OE1 no hydrogen 3.035 N/A GLN 627.A N ARG 623.A O no hydrogen 3.015 N/A LYS 628.A N GLU 624.A O no hydrogen 2.868 N/A ARG 629.A N LEU 625.A O no hydrogen 2.905 N/A ARG 629.A NH1 ASP 401.A OD1 no hydrogen 2.695 N/A ARG 629.A NH2 GLU 756.A OE2 no hydrogen 3.174 N/A LEU 630.A N TYR 626.A O no hydrogen 2.928 N/A MET 631.A N GLN 627.A O no hydrogen 3.174 N/A ARG 632.A N LYS 628.A O no hydrogen 2.971 N/A GLU 633.A N ARG 629.A O no hydrogen 2.886 N/A HIS 634.A N LEU 630.A O no hydrogen 2.942 N/A ALA 635.A N MET 631.A O no hydrogen 2.931 N/A VAL 636.A N ARG 632.A O no hydrogen 2.947 N/A LEU 637.A N GLU 633.A O no hydrogen 2.876 N/A LYS 638.A N HIS 634.A O no hydrogen 2.963 N/A LEU 639.A N ALA 635.A O no hydrogen 3.016 N/A ARG 640.A N VAL 636.A O no hydrogen 2.886 N/A ARG 640.A NH2 ILE 686.A O no hydrogen 2.565 N/A ILE 641.A N LEU 637.A O no hydrogen 2.877 N/A ILE 642.A N LYS 638.A O no hydrogen 2.995 N/A MET 643.A N LEU 639.A O no hydrogen 2.967 N/A GLU 644.A N ARG 640.A O no hydrogen 2.880 N/A THR 645.A N ILE 641.A O no hydrogen 2.916 N/A THR 645.A OG1 ILE 641.A O no hydrogen 2.981 N/A ALA 646.A N ILE 642.A O no hydrogen 2.942 N/A ILE 647.A N MET 643.A O no hydrogen 2.946 N/A VAL 648.A N GLU 644.A O no hydrogen 2.948 N/A ARG 649.A N THR 645.A O no hydrogen 2.904 N/A TYR 650.A N ALA 646.A O no hydrogen 2.962 N/A ILE 651.A N ILE 647.A O no hydrogen 2.885 N/A ASN 652.A N VAL 648.A O no hydrogen 2.942 N/A GLU 653.A N TYR 650.A O no hydrogen 3.216 N/A SER 654.A N TYR 650.A O no hydrogen 2.869 N/A GLU 656.A N GLU 653.A O no hydrogen 3.257 N/A LEU 657.A N GLU 653.A O no hydrogen 2.921 N/A ASN 658.A N SER 654.A O no hydrogen 3.458 N/A SER 660.A OG ASN 658.A OD1 no hydrogen 3.191 N/A SER 660.A OG HIS 661.A ND1 no hydrogen 3.165 N/A HIS 661.A ND1 ASN 658.A OD1 no hydrogen 2.445 N/A GLU 663.A N GLU 667.A OE1 no hydrogen 3.256 N/A GLU 665.A N GLU 665.A OE1 no hydrogen 2.992 N/A GLU 667.A N ASP 664.A OD1 no hydrogen 3.434 N/A ALA 668.A N ASP 664.A O no hydrogen 3.387 N/A SER 669.A N GLU 665.A O no hydrogen 2.902 N/A ARG 670.A N LYS 666.A O no hydrogen 2.898 N/A ILE 671.A N GLU 667.A O no hydrogen 2.920 N/A LEU 672.A N ALA 668.A O no hydrogen 2.918 N/A SER 673.A N SER 669.A O no hydrogen 2.877 N/A SER 673.A OG SER 669.A O no hydrogen 3.366 N/A SER 673.A OG ARG 670.A O no hydrogen 2.596 N/A GLU 674.A N ARG 670.A O no hydrogen 2.923 N/A HIS 675.A N ILE 671.A O no hydrogen 2.946 N/A HIS 675.A ND1 ILE 671.A O no hydrogen 2.681 N/A GLY 676.A N SER 673.A O no hydrogen 2.948 N/A PHE 677.A N LEU 672.A O no hydrogen 3.067 N/A LEU 684.A N ASN 681.A O no hydrogen 3.060 N/A ILE 685.A N HIS 682.A O no hydrogen 3.163 N/A ILE 686.A N HIS 682.A O no hydrogen 2.907 N/A SER 692.A N GLU 695.A OE2 no hydrogen 2.494 N/A SER 692.A OG GLU 695.A OE2 no hydrogen 3.264 N/A GLU 694.A N GLU 694.A OE1 no hydrogen 2.642 N/A LEU 696.A N SER 692.A O no hydrogen 2.717 N/A ASN 697.A N ILE 693.A O no hydrogen 2.916 N/A GLN 698.A N GLU 694.A O no hydrogen 2.927 N/A LYS 699.A N GLU 695.A O no hydrogen 2.878 N/A ALA 700.A N LEU 696.A O no hydrogen 2.896 N/A LEU 701.A N ASN 697.A O no hydrogen 2.929 N/A GLN 702.A NE2 GLN 698.A O no hydrogen 2.981 N/A CYS 704.A SG THR 706.A OG1 no hydrogen 2.618 N/A TYR 705.A OH PHE 677.A O no hydrogen 2.662 N/A TYR 707.A OH PRO 678.A O no hydrogen 2.243 N/A ILE 708.A N TYR 705.A O no hydrogen 2.930 N/A SER 710.A N THR 706.A O no hydrogen 2.389 N/A ARG 714.A NE GLU 715.A OE2 no hydrogen 3.240 N/A LEU 716.A N ALA 713.A O no hydrogen 2.944 N/A LYS 721.A N LEU 717.A O no hydrogen 3.208 N/A THR 722.A N ILE 718.A O no hydrogen 2.920 N/A THR 722.A OG1 ILE 718.A O no hydrogen 3.492 N/A THR 722.A OG1 ALA 719.A O no hydrogen 2.419 N/A ARG 723.A N ALA 719.A O no hydrogen 2.950 N/A ARG 724.A N ALA 720.A O no hydrogen 2.915 N/A VAL 725.A N LYS 721.A O no hydrogen 2.878 N/A GLU 726.A N THR 722.A O no hydrogen 2.942 N/A LYS 727.A N ARG 723.A O no hydrogen 2.870 N/A ILE 728.A N ARG 724.A O no hydrogen 2.862 N/A LYS 729.A N VAL 725.A O no hydrogen 2.937 N/A LYS 730.A N GLU 726.A O no hydrogen 2.932 N/A MET 731.A N LYS 727.A O no hydrogen 2.873 N/A GLN 732.A N ILE 728.A O no hydrogen 2.938 N/A ALA 733.A N LYS 729.A O no hydrogen 2.939 N/A ARG 734.A N LYS 730.A O no hydrogen 2.892 N/A LEU 735.A N MET 731.A O no hydrogen 2.887 N/A ASP 736.A N GLN 732.A O no hydrogen 2.946 N/A LYS 737.A N ALA 733.A O no hydrogen 2.928 N/A VAL 738.A N ARG 734.A O no hydrogen 2.862 N/A GLU 739.A N LEU 735.A O no hydrogen 2.919 N/A GLN 740.A N ASP 736.A O no hydrogen 2.954 N/A GLN 740.A NE2 LYS 737.A O no hydrogen 3.071 N/A LEU 741.A N LYS 737.A O no hydrogen 2.896 N/A LEU 742.A N VAL 738.A O no hydrogen 2.926 N/A ALA 750.A N GLU 744.A OE2 no hydrogen 2.579 N/A TRP 753.A NE1 VAL 423.A O no hydrogen 3.181 N/A GLU 755.A N SER 751.A O no hydrogen 3.066 N/A GLU 755.A N GLU 755.A OE1 no hydrogen 3.040 N/A GLU 756.A N VAL 752.A O no hydrogen 3.046 N/A GLU 756.A N GLU 756.A OE1 no hydrogen 3.194 N/A ILE 757.A N TRP 753.A O no hydrogen 2.888 N/A ASP 758.A N LEU 754.A O no hydrogen 2.935 N/A ALA 759.A N GLU 755.A O no hydrogen 2.901 N/A VAL 760.A N GLU 756.A O no hydrogen 2.886 N/A GLU 761.A N ILE 757.A O no hydrogen 2.950 N/A LYS 762.A N ASP 758.A O no hydrogen 2.956 N/A ALA 763.A N ALA 759.A O no hydrogen 2.923 N/A ILE 764.A N VAL 760.A O no hydrogen 2.871 N/A ILE 765.A N GLU 761.A O no hydrogen 2.893 N/A LYS 766.A N LYS 762.A O no hydrogen 2.927 N/A GLY 767.A N ALA 763.A O no hydrogen 2.934 N/A ARG 768.A N ILE 764.A O no hydrogen 2.810 N/A ASN 769.A N ILE 765.A O no hydrogen 2.948 N/A ASN 769.A N LYS 766.A O no hydrogen 3.312 N/A THR 770.A N GLY 767.A O no hydrogen 3.358 N/A THR 770.A OG1 THR 770.A O no hydrogen 2.458 N/A GLN 771.A NE2 GLU 553.A OE1 no hydrogen 2.381 N/A TRP 772.A N GLY 767.A O no hydrogen 2.672 N/A TRP 772.A NE1 PRO 360.A O no hydrogen 3.047 N/A LYS 773.A N THR 770.A O no hydrogen 3.031 N/A