Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ije_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A N THR 6.A OG1 no hydrogen 3.226 N/A CYS 5.A SG ASP 39.A O no hydrogen 3.002 N/A THR 6.A N ASN 3.A O no hydrogen 3.331 N/A THR 7.A OG1 ILE 4.A O no hydrogen 3.104 N/A THR 7.A OG1 GLU 522.A OE2 no hydrogen 3.119 N/A ARG 8.A N ILE 4.A O no hydrogen 3.079 N/A GLY 9.A N CYS 5.A O no hydrogen 2.749 N/A SER 12.A OG GLN 15.A OE1 no hydrogen 2.749 N/A GLN 15.A N SER 12.A OG no hydrogen 3.248 N/A CYS 16.A N SER 12.A O no hydrogen 3.066 N/A CYS 16.A SG ALA 24.A O no hydrogen 3.498 N/A LEU 17.A N CYS 13.A O no hydrogen 2.926 N/A ALA 18.A N GLN 14.A O no hydrogen 2.706 N/A VAL 19.A N GLN 15.A O no hydrogen 3.059 N/A MET 22.A N SER 20.A OG no hydrogen 2.960 N/A CYS 23.A N SER 20.A O no hydrogen 3.288 N/A CYS 23.A SG SER 20.A O no hydrogen 3.615 N/A TRP 25.A NE1 CYS 457.A O no hydrogen 3.131 N/A SER 27.A N SER 53.A OG no hydrogen 3.081 N/A SER 27.A OG SER 53.A O no hydrogen 3.404 N/A GLY 34.A N LEU 31.A O no hydrogen 2.797 N/A CYS 38.A SG CYS 5.A O no hydrogen 3.720 N/A CYS 38.A SG GLY 9.A O no hydrogen 3.139 N/A ASP 39.A N ARG 37.A O no hydrogen 2.830 N/A LEU 40.A N ASP 39.A OD1 no hydrogen 2.430 N/A LEU 45.A N LYS 41.A O no hydrogen 2.789 N/A LYS 46.A N GLU 42.A O no hydrogen 2.676 N/A ASP 47.A N ASN 43.A O no hydrogen 3.194 N/A ASP 47.A N LEU 44.A O no hydrogen 3.269 N/A CYS 49.A N ASP 47.A O no hydrogen 2.670 N/A CYS 49.A SG SER 53.A OG no hydrogen 3.452 N/A ILE 54.A N PRO 51.A O no hydrogen 3.113 N/A SER 59.A OG ASP 96.A OD2 no hydrogen 2.613 N/A GLU 60.A N ARG 91.A O no hydrogen 2.905 N/A LEU 64.A N ARG 87.A O no hydrogen 2.861 N/A GLU 65.A N ARG 87.A O no hydrogen 3.039 N/A SER 70.A N THR 81.A O no hydrogen 2.970 N/A SER 70.A OG THR 81.A O no hydrogen 3.286 N/A SER 74.A OG ASP 109.A OD2 no hydrogen 2.648 N/A THR 81.A N SER 70.A OG no hydrogen 2.797 N/A THR 81.A OG1 GLN 79.A O no hydrogen 3.486 N/A GLN 82.A N ASP 423.A OD1 no hydrogen 2.526 N/A SER 84.A N GLN 103.A O no hydrogen 3.039 N/A GLN 86.A N GLU 65.A O no hydrogen 2.812 N/A GLN 86.A NE2 VAL 83.A O no hydrogen 2.358 N/A ARG 87.A N GLU 65.A O no hydrogen 3.389 N/A ILE 88.A N ILE 426.A O no hydrogen 2.940 N/A ALA 89.A N ARG 62.A O no hydrogen 2.636 N/A LEU 90.A N GLN 428.A O no hydrogen 2.740 N/A ARG 91.A N GLU 60.A O no hydrogen 2.960 N/A LEU 92.A N THR 430.A O no hydrogen 3.178 N/A ARG 93.A N SER 59.A OG no hydrogen 3.127 N/A ARG 93.A NE PRO 57.A O no hydrogen 3.186 N/A ARG 93.A NH1 CYS 23.A O no hydrogen 3.340 N/A ARG 93.A NH2 CYS 23.A O no hydrogen 3.419 N/A ARG 93.A NH2 PRO 57.A O no hydrogen 3.111 N/A SER 97.A N ASP 96.A OD1 no hydrogen 2.746 N/A SER 97.A OG GLU 400.A OE1 no hydrogen 3.512 N/A LYS 98.A N ALA 401.A O no hydrogen 3.194 N/A LYS 98.A NZ SER 59.A O no hydrogen 3.041 N/A PHE 100.A N ILE 399.A O no hydrogen 2.795 N/A ILE 102.A N PHE 397.A O no hydrogen 3.061 N/A VAL 104.A N VAL 395.A O no hydrogen 3.043 N/A ARG 105.A N GLN 82.A O no hydrogen 2.916 N/A GLN 106.A N ASP 393.A O no hydrogen 2.790 N/A GLN 106.A NE2 ARG 352.A O no hydrogen 2.865 N/A GLN 106.A NE2 LYS 354.A O no hydrogen 3.333 N/A VAL 112.A N ASN 148.A O no hydrogen 3.436 N/A ASP 113.A N SER 243.A O no hydrogen 2.635 N/A ILE 114.A N ARG 150.A O no hydrogen 3.172 N/A TYR 115.A N LEU 245.A O no hydrogen 2.901 N/A TYR 115.A OH TYR 190.A OH no hydrogen 2.768 N/A TYR 115.A OH HIS 192.A ND1 no hydrogen 2.572 N/A TYR 116.A N GLY 152.A O no hydrogen 3.330 N/A LEU 117.A N VAL 247.A O no hydrogen 2.718 N/A MET 118.A N GLY 154.A O no hydrogen 2.981 N/A ASP 119.A N THR 249.A O no hydrogen 2.814 N/A LEU 120.A N PHE 156.A O no hydrogen 3.118 N/A SER 121.A N ASP 119.A OD2 no hydrogen 2.671 N/A SER 121.A OG ASP 119.A OD1 no hydrogen 3.108 N/A SER 121.A OG ASP 119.A OD2 no hydrogen 2.987 N/A SER 121.A OG SER 123.A OG no hydrogen 2.867 N/A SER 121.A OG GLU 220.A OE2 no hydrogen 3.184 N/A SER 123.A OG SER 121.A OG no hydrogen 2.867 N/A SER 123.A OG ASP 251.A OD1 no hydrogen 3.355 N/A SER 123.A OG ASP 251.A OD2 no hydrogen 2.713 N/A MET 124.A N SER 121.A O no hydrogen 2.680 N/A LYS 125.A N TYR 122.A O no hydrogen 3.150 N/A LYS 125.A NZ TYR 122.A OH no hydrogen 3.448 N/A LEU 128.A N MET 124.A O no hydrogen 2.955 N/A TRP 129.A N LYS 125.A O no hydrogen 3.217 N/A SER 130.A OG ASP 127.A O no hydrogen 3.092 N/A SER 130.A OG ASP 336.A O no hydrogen 2.727 N/A ILE 131.A N ASP 127.A O no hydrogen 3.204 N/A ALA 139.A N GLY 135.A O no hydrogen 2.627 N/A THR 140.A N THR 136.A O no hydrogen 3.266 N/A THR 140.A OG1 LYS 137.A O no hydrogen 2.958 N/A GLN 141.A N LEU 138.A O no hydrogen 3.232 N/A MET 142.A N LEU 138.A O no hydrogen 3.064 N/A ARG 143.A N ALA 139.A O no hydrogen 2.982 N/A LYS 144.A N GLN 141.A O no hydrogen 2.931 N/A LYS 144.A NZ GLN 141.A OE1 no hydrogen 2.531 N/A THR 146.A N MET 142.A O no hydrogen 2.729 N/A THR 146.A OG1 TYR 110.A O no hydrogen 3.014 N/A ARG 150.A N VAL 112.A O no hydrogen 3.292 N/A ILE 151.A N THR 197.A O no hydrogen 2.891 N/A GLY 152.A N ILE 114.A O no hydrogen 3.001 N/A PHE 153.A N LEU 194.A O no hydrogen 2.925 N/A GLY 154.A N TYR 116.A O no hydrogen 2.882 N/A ALA 155.A N LYS 191.A O no hydrogen 2.923 N/A PHE 156.A N MET 118.A O no hydrogen 3.082 N/A VAL 157.A N GLY 189.A O no hydrogen 3.071 N/A LYS 159.A N ASP 158.A OD1 no hydrogen 2.876 N/A LYS 159.A NZ ASP 224.A OD1 no hydrogen 2.390 N/A LYS 159.A NZ ASP 224.A OD2 no hydrogen 3.290 N/A LYS 159.A NZ SER 284.A O no hydrogen 3.136 N/A LYS 159.A NZ MET 287.A O no hydrogen 3.125 N/A VAL 161.A N LYS 159.A O no hydrogen 2.818 N/A MET 165.A N VAL 161.A O no hydrogen 2.857 N/A ILE 167.A N MET 165.A O no hydrogen 2.705 N/A LEU 173.A N PRO 170.A O no hydrogen 3.361 N/A GLU 174.A N GLU 171.A O no hydrogen 2.964 N/A ASN 175.A N ALA 172.A O no hydrogen 3.175 N/A MET 180.A N CYS 177.A O no hydrogen 3.263 N/A THR 183.A N THR 182.A OG1 no hydrogen 2.661 N/A LEU 185.A N VAL 212.A O no hydrogen 3.363 N/A TYR 190.A OH TYR 115.A OH no hydrogen 2.768 N/A LYS 191.A N ALA 155.A O no hydrogen 2.831 N/A HIS 192.A N ASN 279.A O no hydrogen 3.016 N/A HIS 192.A ND1 TYR 115.A OH no hydrogen 2.572 N/A VAL 193.A N PHE 153.A O no hydrogen 3.048 N/A LEU 194.A N PHE 153.A O no hydrogen 2.945 N/A LEU 196.A N ILE 236.A O no hydrogen 2.948 N/A THR 197.A N ILE 151.A O no hydrogen 2.985 N/A GLN 199.A N THR 197.A OG1 no hydrogen 3.052 N/A ARG 202.A N GLN 199.A O no hydrogen 3.074 N/A ARG 202.A NH2 GLN 199.A OE1 no hydrogen 3.552 N/A PHE 203.A N VAL 200.A O no hydrogen 2.990 N/A ASN 204.A ND2 ASN 133.A O no hydrogen 3.688 N/A ASN 204.A ND2 THR 136.A OG1 no hydrogen 3.142 N/A GLU 205.A N THR 201.A O no hydrogen 3.312 N/A GLU 206.A N ARG 202.A O no hydrogen 3.023 N/A VAL 207.A N PHE 203.A O no hydrogen 3.019 N/A LYS 208.A N ASN 204.A O no hydrogen 3.381 N/A LYS 209.A N GLU 206.A O no hydrogen 2.919 N/A LYS 209.A NZ GLU 206.A OE1 no hydrogen 2.950 N/A GLN 210.A N GLU 206.A O no hydrogen 3.271 N/A GLN 210.A N VAL 207.A O no hydrogen 3.325 N/A SER 213.A N LEU 120.A O no hydrogen 2.893 N/A SER 213.A OG LEU 185.A O no hydrogen 2.690 N/A ARG 214.A N SER 213.A OG no hydrogen 2.730 N/A ARG 214.A NH1 ASP 179.A OD1 no hydrogen 3.493 N/A GLU 220.A N LYS 253.A O no hydrogen 3.368 N/A ASP 224.A N GLY 221.A O no hydrogen 3.215 N/A ILE 226.A N GLY 222.A O no hydrogen 2.644 N/A MET 227.A N PHE 223.A O no hydrogen 2.952 N/A GLN 228.A N ASP 224.A O no hydrogen 2.825 N/A GLN 228.A NE2 GLN 272.A O no hydrogen 2.966 N/A ALA 229.A N ALA 225.A O no hydrogen 2.821 N/A THR 230.A N ILE 226.A O no hydrogen 3.096 N/A THR 230.A OG1 ILE 226.A O no hydrogen 2.561 N/A VAL 231.A N MET 227.A O no hydrogen 2.988 N/A CYS 232.A N GLN 228.A O no hydrogen 2.987 N/A CYS 232.A SG GLN 228.A OE1 no hydrogen 3.351 N/A LYS 235.A NZ GLY 276.A O no hydrogen 2.841 N/A LYS 235.A NZ ASN 279.A OD1 no hydrogen 3.011 N/A ILE 236.A N CYS 232.A O no hydrogen 2.952 N/A GLY 237.A N ASP 233.A O no hydrogen 2.947 N/A TRP 238.A NE1 ALA 229.A O no hydrogen 3.106 N/A ARG 239.A N ASP 113.A OD1 no hydrogen 2.947 N/A ARG 239.A NE ASP 113.A OD2 no hydrogen 2.904 N/A ARG 239.A NH1 ASN 148.A OD1 no hydrogen 3.100 N/A ARG 239.A NH2 ASP 113.A OD2 no hydrogen 2.980 N/A ARG 239.A NH2 ASN 148.A O no hydrogen 3.387 N/A ALA 242.A N ASN 240.A O no hydrogen 3.000 N/A SER 243.A N PRO 111.A O no hydrogen 2.784 N/A LEU 245.A N ASP 113.A O no hydrogen 2.856 N/A LEU 246.A N ASN 305.A O no hydrogen 2.854 N/A VAL 247.A N TYR 115.A O no hydrogen 2.925 N/A PHE 248.A N ILE 307.A O no hydrogen 2.739 N/A THR 249.A N LEU 117.A O no hydrogen 2.934 N/A THR 250.A N ALA 309.A O no hydrogen 3.326 N/A THR 250.A OG1 ASP 119.A OD1 no hydrogen 3.345 N/A ALA 252.A N THR 250.A OG1 no hydrogen 2.959 N/A THR 254.A OG1 GLU 220.A O no hydrogen 3.347 N/A THR 254.A OG1 HIS 255.A O no hydrogen 2.989 N/A HIS 255.A N GLU 220.A O no hydrogen 2.772 N/A HIS 255.A ND1 ASP 259.A OD2 no hydrogen 3.045 N/A ILE 256.A N ASP 259.A OD2 no hydrogen 2.876 N/A LEU 258.A N ASP 288.A OD2 no hydrogen 2.765 N/A ASP 259.A N ILE 256.A O no hydrogen 3.095 N/A GLY 260.A N ASP 288.A OD1 no hydrogen 3.164 N/A ARG 261.A N LEU 258.A O no hydrogen 3.471 N/A LEU 262.A N ASP 259.A O no hydrogen 3.200 N/A GLY 264.A N ARG 261.A O no hydrogen 2.664 N/A ILE 265.A N GLY 260.A O no hydrogen 2.907 N/A GLN 267.A NE2 THR 286.A O no hydrogen 3.673 N/A GLN 272.A N ASP 270.A OD1 no hydrogen 2.728 N/A GLN 272.A NE2 ASP 270.A O no hydrogen 2.984 N/A HIS 274.A N GLN 228.A OE1 no hydrogen 2.729 N/A HIS 274.A NE2 ASP 270.A OD1 no hydrogen 3.005 N/A HIS 274.A NE2 ASP 270.A OD2 no hydrogen 2.696 N/A ASN 279.A N GLY 276.A O no hydrogen 3.053 N/A ASN 279.A ND2 HIS 192.A O no hydrogen 3.568 N/A TYR 281.A N TYR 190.A O no hydrogen 3.086 N/A SER 282.A N HIS 274.A O no hydrogen 2.961 N/A SER 282.A OG HIS 274.A O no hydrogen 2.968 N/A SER 284.A N TYR 281.A O no hydrogen 3.058 N/A THR 286.A N ALA 283.A O no hydrogen 2.837 N/A THR 286.A OG1 ALA 283.A O no hydrogen 3.256 N/A MET 287.A N ALA 283.A O no hydrogen 2.850 N/A ASP 288.A N GLN 267.A O no hydrogen 2.800 N/A TYR 289.A N ASP 288.A OD1 no hydrogen 2.623 N/A TYR 289.A OH ASP 158.A OD1 no hydrogen 2.607 N/A MET 295.A N SER 291.A O no hydrogen 2.835 N/A THR 296.A N LEU 292.A O no hydrogen 2.766 N/A THR 296.A OG1 LEU 292.A O no hydrogen 3.047 N/A GLU 297.A N GLY 293.A O no hydrogen 3.154 N/A LYS 298.A N LEU 294.A O no hydrogen 3.339 N/A LEU 299.A N MET 295.A O no hydrogen 3.028 N/A SER 300.A N THR 296.A O no hydrogen 3.037 N/A SER 300.A OG GLU 358.A OE1 no hydrogen 2.778 N/A GLN 301.A N GLU 297.A O no hydrogen 3.053 N/A LYS 302.A N LYS 298.A O no hydrogen 2.980 N/A LYS 302.A NZ ASP 233.A OD2 no hydrogen 2.549 N/A ASN 303.A N SER 300.A O no hydrogen 3.365 N/A ILE 304.A N LEU 299.A O no hydrogen 2.888 N/A ASN 305.A N HIS 244.A O no hydrogen 2.827 N/A ILE 307.A N LEU 246.A O no hydrogen 2.928 N/A PHE 308.A N THR 329.A O no hydrogen 2.761 N/A ALA 309.A N PHE 248.A O no hydrogen 2.785 N/A VAL 310.A N GLY 331.A O no hydrogen 3.146 N/A ASN 313.A ND2 THR 311.A OG1 no hydrogen 2.520 N/A VAL 314.A N THR 311.A O no hydrogen 2.877 N/A VAL 315.A N GLU 312.A O no hydrogen 3.124 N/A TYR 318.A OH ALA 252.A O no hydrogen 2.686 N/A GLN 319.A N VAL 315.A O no hydrogen 2.954 N/A ASN 320.A N ASN 316.A O no hydrogen 3.064 N/A TYR 321.A N LEU 317.A O no hydrogen 3.081 N/A SER 322.A N TYR 318.A O no hydrogen 2.747 N/A GLU 323.A N GLN 319.A O no hydrogen 2.979 N/A LEU 324.A N TYR 321.A O no hydrogen 2.767 N/A ILE 325.A N SER 322.A O no hydrogen 2.919 N/A THR 328.A N ILE 325.A O no hydrogen 3.211 N/A THR 328.A OG1 ILE 325.A O no hydrogen 2.633 N/A THR 329.A N LEU 306.A O no hydrogen 3.237 N/A GLY 331.A N PHE 308.A O no hydrogen 2.860 N/A LEU 333.A N VAL 310.A O no hydrogen 2.594 N/A SER 334.A N ASN 339.A OD1 no hydrogen 2.683 N/A SER 334.A OG SER 338.A OG no hydrogen 2.924 N/A ASP 336.A N SER 334.A OG no hydrogen 2.861 N/A SER 337.A OG ASP 127.A OD2 no hydrogen 2.708 N/A SER 338.A OG SER 334.A OG no hydrogen 2.924 N/A SER 338.A OG ASP 336.A OD1 no hydrogen 3.077 N/A SER 338.A OG ASP 336.A OD2 no hydrogen 2.637 N/A ASN 339.A ND2 VAL 332.A O no hydrogen 2.652 N/A LEU 343.A N ASN 339.A O no hydrogen 3.248 N/A ILE 344.A N VAL 340.A O no hydrogen 2.904 N/A VAL 345.A N LEU 341.A O no hydrogen 3.030 N/A ASP 346.A N GLN 342.A O no hydrogen 2.614 N/A ALA 347.A N LEU 343.A O no hydrogen 2.770 N/A TYR 348.A N ILE 344.A O no hydrogen 2.900 N/A GLY 349.A N VAL 345.A O no hydrogen 3.336 N/A LYS 350.A N ASP 346.A O no hydrogen 3.070 N/A ILE 351.A N ALA 347.A O no hydrogen 2.986 N/A ARG 352.A N TYR 348.A O no hydrogen 2.984 N/A ARG 352.A NH1 VAL 107.A O no hydrogen 3.160 N/A ARG 352.A NH1 TYR 348.A OH no hydrogen 3.288 N/A ARG 352.A NH2 GLN 106.A OE1 no hydrogen 3.153 N/A ARG 352.A NH2 VAL 107.A O no hydrogen 3.263 N/A SER 353.A N LYS 350.A O no hydrogen 3.159 N/A SER 353.A OG LYS 350.A O no hydrogen 2.505 N/A VAL 355.A N CYS 386.A O no hydrogen 2.684 N/A LEU 357.A N LYS 384.A O no hydrogen 2.923 N/A GLU 358.A N LYS 417.A O no hydrogen 2.452 N/A ARG 360.A N THR 415.A O no hydrogen 2.951 N/A ARG 360.A NH2 GLU 358.A OE2 no hydrogen 3.383 N/A LEU 366.A N PRO 363.A O no hydrogen 3.048 N/A SER 367.A N LYS 402.A O no hydrogen 2.932 N/A SER 367.A OG SER 551.A OG no hydrogen 2.746 N/A SER 369.A N GLU 400.A O no hydrogen 3.134 N/A SER 369.A OG GLU 400.A OE2 no hydrogen 3.313 N/A ASN 371.A N SER 398.A O no hydrogen 2.919 N/A ALA 372.A N ILE 380.A O no hydrogen 2.849 N/A THR 373.A N SER 396.A O no hydrogen 2.790 N/A ASN 376.A ND2 ASN 629.A O no hydrogen 3.559 N/A GLU 378.A N LEU 375.A O no hydrogen 2.853 N/A ILE 380.A N ALA 372.A O no hydrogen 2.771 N/A GLY 382.A N ASN 371.A OD1 no hydrogen 3.318 N/A LEU 383.A N PHE 370.A O no hydrogen 3.118 N/A LYS 384.A NZ LEU 357.A O no hydrogen 3.108 N/A CYS 386.A N VAL 355.A O no hydrogen 2.797 N/A CYS 386.A SG SER 385.A O no hydrogen 2.901 N/A LEU 389.A N SER 353.A O no hydrogen 2.738 N/A LYS 390.A N ASP 393.A OD2 no hydrogen 3.399 N/A GLY 392.A N GLN 106.A O no hydrogen 2.540 N/A ASP 393.A N LYS 390.A O no hydrogen 3.048 N/A VAL 395.A N VAL 104.A O no hydrogen 2.848 N/A SER 396.A N THR 373.A O no hydrogen 2.874 N/A PHE 397.A N ILE 102.A O no hydrogen 3.166 N/A SER 398.A N ASN 371.A O no hydrogen 2.872 N/A ILE 399.A N PHE 100.A O no hydrogen 2.628 N/A GLU 400.A N SER 369.A O no hydrogen 3.019 N/A ALA 401.A N LYS 98.A O no hydrogen 3.137 N/A LYS 402.A N SER 367.A O no hydrogen 2.967 N/A VAL 403.A N ASP 96.A O no hydrogen 3.113 N/A ARG 404.A N GLU 365.A O no hydrogen 3.105 N/A ARG 404.A NE GLU 365.A OE1 no hydrogen 3.503 N/A ARG 404.A NH1 LEU 548.A O no hydrogen 2.792 N/A ARG 404.A NH1 ASP 550.A OD1 no hydrogen 2.993 N/A ARG 404.A NH2 ASP 550.A OD1 no hydrogen 3.380 N/A GLY 405.A N ASP 95.A OD1 no hydrogen 2.756 N/A CYS 406.A SG CYS 433.A O no hydrogen 3.442 N/A LYS 410.A N GLN 408.A O no hydrogen 2.829 N/A LYS 412.A N VAL 429.A O no hydrogen 2.819 N/A SER 413.A OG GLU 411.A OE2 no hydrogen 3.025 N/A PHE 414.A N VAL 427.A O no hydrogen 3.178 N/A THR 415.A N ARG 360.A O no hydrogen 3.075 N/A ILE 416.A N LEU 425.A O no hydrogen 2.812 N/A LYS 417.A N GLU 358.A O no hydrogen 3.030 N/A LYS 417.A NZ GLU 358.A OE2 no hydrogen 3.439 N/A LYS 417.A NZ PRO 418.A O no hydrogen 2.910 N/A VAL 419.A N GLU 356.A O no hydrogen 2.849 N/A PHE 421.A N PRO 418.A O no hydrogen 3.151 N/A LEU 425.A N ILE 416.A O no hydrogen 2.908 N/A ILE 426.A N GLN 86.A O no hydrogen 2.716 N/A VAL 427.A N PHE 414.A O no hydrogen 2.723 N/A GLN 428.A N ILE 88.A O no hydrogen 3.191 N/A VAL 429.A N LYS 412.A O no hydrogen 2.631 N/A THR 430.A N LEU 90.A O no hydrogen 2.864 N/A ASP 432.A N LEU 92.A O no hydrogen 2.752 N/A CYS 433.A SG PHE 431.A O no hydrogen 3.939 N/A ALA 436.A N GLU 55.A OE1 no hydrogen 3.273 N/A GLN 438.A N CYS 435.A O no hydrogen 3.154 N/A GLN 438.A NE2 GLN 14.A OE1 no hydrogen 2.731 N/A CYS 448.A SG GLN 470.A O no hydrogen 3.785 N/A GLY 451.A N ASN 449.A O no hydrogen 2.766 N/A ASN 452.A ND2 SER 445.A OG no hydrogen 2.953 N/A GLY 453.A N SER 445.A O no hydrogen 2.780 N/A THR 454.A N ARG 461.A O no hydrogen 2.918 N/A GLU 456.A N VAL 459.A O no hydrogen 2.960 N/A VAL 459.A N GLU 456.A O no hydrogen 2.823 N/A CYS 462.A SG LEU 467.A O no hydrogen 3.500 N/A CYS 462.A SG GLN 470.A O no hydrogen 3.250 N/A GLU 472.A N LEU 467.A O no hydrogen 3.342 N/A SER 474.A OG GLU 475.A OE2 no hydrogen 3.018 N/A ASP 477.A N GLU 476.A OE2 no hydrogen 3.460 N/A TYR 478.A OH GLU 472.A OE1 no hydrogen 3.184 N/A ARG 479.A NE CYS 501.A O no hydrogen 3.024 N/A GLN 482.A N SER 481.A OG no hydrogen 2.602 N/A CYS 486.A SG ASP 484.A OD2 no hydrogen 3.357 N/A CYS 486.A SG VAL 494.A O no hydrogen 3.457 N/A SER 487.A OG PRO 493.A O no hydrogen 2.624 N/A SER 487.A OG VAL 494.A O no hydrogen 3.285 N/A GLU 490.A N SER 487.A O no hydrogen 2.872 N/A SER 496.A OG TYR 520.A O no hydrogen 2.688 N/A SER 496.A OG CYS 521.A O no hydrogen 3.375 N/A ARG 498.A N SER 496.A O no hydrogen 2.686 N/A GLY 499.A N GLN 497.A O no hydrogen 2.716 N/A GLU 500.A N VAL 507.A O no hydrogen 2.936 N/A CYS 501.A SG GLN 483.A O no hydrogen 3.454 N/A CYS 501.A SG ASP 484.A OD2 no hydrogen 3.454 N/A CYS 501.A SG GLN 505.A O no hydrogen 3.436 N/A LEU 502.A N GLN 505.A O no hydrogen 2.698 N/A GLN 505.A N LEU 502.A O no hydrogen 2.812 N/A CYS 506.A SG LYS 519.A O no hydrogen 3.510 N/A VAL 507.A N GLU 500.A O no hydrogen 2.637 N/A CYS 508.A SG GLY 518.A O no hydrogen 3.938 N/A LYS 519.A N THR 7.A O no hydrogen 3.288 N/A CYS 521.A N GLY 518.A O no hydrogen 2.646 N/A CYS 521.A SG ARG 498.A O no hydrogen 3.291 N/A CYS 523.A N THR 517.A O no hydrogen 2.872 N/A CYS 528.A SG PHE 526.A O no hydrogen 3.298 N/A CYS 536.A SG GLN 541.A O no hydrogen 3.821 N/A SER 537.A OG TYR 557.A O no hydrogen 2.664 N/A HIS 539.A N CYS 536.A O no hydrogen 2.774 N/A GLN 541.A N LEU 548.A O no hydrogen 2.846 N/A SER 543.A N ASP 546.A O no hydrogen 3.205 N/A LEU 548.A N GLN 541.A O no hydrogen 2.707 N/A CYS 549.A SG GLY 555.A O no hydrogen 3.402 N/A ASP 550.A N HIS 539.A O no hydrogen 3.071 N/A SER 551.A OG LEU 366.A O no hydrogen 2.978 N/A SER 551.A OG SER 367.A OG no hydrogen 2.746 N/A TRP 553.A N ASP 550.A O no hydrogen 3.049 N/A THR 554.A N CYS 560.A O no hydrogen 2.818 N/A THR 554.A OG1 CYS 560.A O no hydrogen 3.065 N/A TYR 556.A OH ASP 546.A OD2 no hydrogen 3.401 N/A CYS 558.A N GLY 555.A O no hydrogen 3.052 N/A CYS 560.A N THR 554.A O no hydrogen 3.339 N/A CYS 560.A SG THR 554.A OG1 no hydrogen 3.568 N/A CYS 560.A SG THR 561.A O no hydrogen 3.625 N/A THR 562.A N ASP 552.A O no hydrogen 3.396 N/A ARG 563.A N THR 561.A OG1 no hydrogen 3.305 N/A ARG 563.A NE ASP 565.A OD2 no hydrogen 3.360 N/A ARG 563.A NH2 ASP 565.A OD1 no hydrogen 3.423 N/A CYS 567.A N THR 564.A O no hydrogen 2.744 N/A MET 568.A N ASP 565.A O no hydrogen 3.119 N/A SER 569.A OG LEU 573.A O no hydrogen 3.115 N/A GLY 572.A N SER 569.A O no hydrogen 2.920 N/A CYS 575.A N CYS 567.A O no hydrogen 2.883 N/A SER 576.A OG THR 597.A O no hydrogen 2.465 N/A GLY 577.A N LEU 574.A O no hydrogen 2.834 N/A ARG 578.A N CYS 575.A O no hydrogen 2.868 N/A ARG 578.A NE CYS 598.A O no hydrogen 3.290 N/A ARG 578.A NH2 CYS 598.A O no hydrogen 3.235 N/A LYS 580.A N VAL 587.A O no hydrogen 3.193 N/A CYS 581.A SG ARG 563.A O no hydrogen 3.868 N/A GLU 582.A N SER 585.A O no hydrogen 2.794 N/A SER 585.A OG GLY 584.A O no hydrogen 3.002 N/A CYS 586.A SG CYS 567.A O no hydrogen 3.607 N/A CYS 586.A SG ASP 596.A O no hydrogen 3.568 N/A VAL 587.A N LYS 580.A O no hydrogen 2.871 N/A ILE 589.A N ARG 578.A O no hydrogen 3.247 N/A TYR 594.A N LYS 600.A O no hydrogen 2.826 N/A THR 597.A N GLU 599.A OE2 no hydrogen 2.886 N/A THR 597.A OG1 GLU 599.A OE2 no hydrogen 2.699 N/A CYS 598.A N GLY 595.A O no hydrogen 3.119 N/A GLU 599.A N GLU 599.A OE2 no hydrogen 2.704 N/A LYS 600.A N TYR 594.A O no hydrogen 2.923 N/A CYS 601.A SG PRO 591.A O no hydrogen 3.261 N/A CYS 601.A SG GLY 592.A O no hydrogen 3.850 N/A CYS 604.A N CYS 601.A O no hydrogen 2.899 N/A CYS 604.A SG PRO 591.A O no hydrogen 3.767 N/A CYS 608.A SG ASP 606.A OD2 no hydrogen 3.177 N/A THR 609.A N ASP 606.A O no hydrogen 3.198 N/A THR 609.A OG1 ASP 606.A O no hydrogen 3.050 N/A PHE 610.A N ALA 607.A O no hydrogen 2.921 N/A LYS 611.A N ALA 607.A O no hydrogen 2.907 N/A LYS 611.A NZ ASP 637.A OD1 no hydrogen 2.821 N/A LYS 612.A N CYS 608.A O no hydrogen 2.950 N/A CYS 614.A N LYS 611.A O no hydrogen 2.940 N/A VAL 615.A N LYS 611.A O no hydrogen 2.776 N/A GLU 616.A N LYS 612.A O no hydrogen 2.607 N/A CYS 617.A N GLU 613.A O no hydrogen 3.125 N/A LYS 618.A N CYS 614.A O no hydrogen 2.925 N/A LYS 618.A NZ ASN 632.A OD1 no hydrogen 2.650 N/A LYS 619.A N VAL 615.A O no hydrogen 2.706 N/A LYS 619.A NZ ILE 639.A O no hydrogen 2.517 N/A ASP 621.A N CYS 617.A O no hydrogen 3.108 N/A ARG 622.A N GLU 616.A O no hydrogen 2.948 N/A ARG 622.A NH1 ASP 661.A OD1 no hydrogen 3.172 N/A HIS 626.A ND1 ASP 627.A OD1 no hydrogen 3.239 N/A ASP 627.A N GLY 623.A O no hydrogen 3.182 N/A GLU 628.A N ALA 624.A O no hydrogen 2.997 N/A ASN 629.A N HIS 626.A O no hydrogen 3.113 N/A ASN 629.A ND2 ASN 629.A O no hydrogen 2.596 N/A THR 630.A N LEU 625.A O no hydrogen 2.914 N/A THR 630.A OG1 LEU 625.A O no hydrogen 3.504 N/A TYR 634.A N THR 630.A O no hydrogen 2.832 N/A CYS 635.A N CYS 631.A O no hydrogen 3.304 N/A CYS 635.A SG CYS 631.A O no hydrogen 3.772 N/A GLU 640.A N LEU 679.A O no hydrogen 2.860 N/A CYS 655.A N PHE 667.A O no hydrogen 2.864 N/A CYS 655.A SG VAL 653.A O no hydrogen 3.819 N/A TYR 657.A N VAL 665.A O no hydrogen 2.908 N/A TYR 657.A OH GLU 616.A OE1 no hydrogen 2.673 N/A ASN 659.A N CYS 663.A O no hydrogen 3.101 N/A ASP 662.A N ASN 659.A O no hydrogen 2.702 N/A CYS 663.A N ASN 659.A OD1 no hydrogen 2.766 N/A CYS 663.A SG ASP 661.A O no hydrogen 3.954 N/A VAL 664.A N GLU 686.A O no hydrogen 2.764 N/A VAL 665.A N TYR 657.A O no hydrogen 2.853 N/A PHE 667.A N CYS 655.A O no hydrogen 2.807 N/A GLN 668.A N TYR 680.A O no hydrogen 3.082 N/A TYR 669.A OH GLU 671.A OE1 no hydrogen 2.985 N/A TYR 670.A N ILE 678.A O no hydrogen 3.059 N/A SER 673.A N LYS 676.A O no hydrogen 2.962 N/A SER 677.A OG TYR 670.A O no hydrogen 3.414 N/A ILE 678.A N TYR 670.A O no hydrogen 2.948 N/A LEU 679.A N GLU 638.A O no hydrogen 2.831 N/A TYR 680.A N GLN 668.A O no hydrogen 3.054 N/A VAL 681.A N GLU 640.A O no hydrogen 3.209 N/A VAL 682.A N ARG 666.A O no hydrogen 3.086 N/A GLU 683.A N VAL 642.A O no hydrogen 2.642 N/A GLU 686.A N VAL 664.A O no hydrogen 3.176 N/A CYS 687.A SG PRO 685.A O no hydrogen 3.909 N/A