Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG GLN 28.A OE1 no hydrogen 3.756 N/A GLY 5.A N GLU 31.A O no hydrogen 3.283 N/A LEU 7.A N ILE 33.A O no hydrogen 2.780 N/A ASN 8.A ND2 TYR 35.A OH no hydrogen 3.228 N/A SER 9.A N TYR 35.A O no hydrogen 2.737 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 3.016 N/A GLY 13.A N TYR 114.A O no hydrogen 3.102 N/A ILE 15.A N LEU 112.A O no hydrogen 2.942 N/A THR 16.A OG1 SER 17.A O no hydrogen 3.234 N/A SER 17.A N PHE 110.A O no hydrogen 3.034 N/A SER 17.A OG PHE 110.A O no hydrogen 3.132 N/A TYR 20.A N SER 17.A O no hydrogen 2.713 N/A TYR 20.A OH ASN 48.A OD1 no hydrogen 3.413 N/A TYR 20.A OH HIS 50.A O no hydrogen 2.607 N/A TYR 24.A N GLY 107.A O no hydrogen 3.156 N/A TYR 24.A OH ASP 61.A OD2 no hydrogen 3.047 N/A HIS 27.A N ASP 102.A O no hydrogen 3.256 N/A GLN 28.A N SER 101.A O no hydrogen 3.289 N/A GLN 28.A NE2 SER 26.A O no hydrogen 3.191 N/A ASN 29.A ND2 GLN 28.A O no hydrogen 2.943 N/A TRP 32.A N ILE 97.A O no hydrogen 2.816 N/A ILE 33.A N GLY 5.A O no hydrogen 2.856 N/A VAL 34.A N LEU 95.A O no hydrogen 2.956 N/A TYR 35.A N LEU 7.A O no hydrogen 2.957 N/A ALA 36.A N SER 93.A O no hydrogen 2.762 N/A ASN 40.A ND2 SER 121.A O no hydrogen 2.649 N/A ASN 40.A ND2 SER 121.A OG no hydrogen 3.312 N/A GLN 41.A N GLU 38.A O no hydrogen 3.013 N/A LYS 42.A N PHE 117.A O no hydrogen 2.978 N/A LYS 42.A NZ GLN 41.A O no hydrogen 3.382 N/A LYS 42.A NZ SER 91.A O no hydrogen 3.028 N/A LYS 42.A NZ GLY 92.A O no hydrogen 3.042 N/A ILE 43.A N SER 90.A OG no hydrogen 2.962 N/A VAL 44.A N GLU 115.A O no hydrogen 2.937 N/A LEU 45.A N ILE 88.A O no hydrogen 2.931 N/A ASN 46.A N ARG 113.A O no hydrogen 2.947 N/A ASN 48.A N SER 111.A O no hydrogen 2.778 N/A HIS 50.A N ASN 48.A OD1 no hydrogen 2.711 N/A HIS 50.A ND1 ASN 48.A OD1 no hydrogen 2.587 N/A GLU 52.A N GLY 109.A O no hydrogen 2.844 N/A ILE 53.A N GLY 81.A O no hydrogen 2.887 N/A GLU 54.A N TYR 24.A OH no hydrogen 3.330 N/A LYS 55.A NZ ASN 82.A OD1 no hydrogen 3.179 N/A CYS 58.A N LYS 55.A O no hydrogen 3.280 N/A PHE 62.A N THR 100.A O no hydrogen 3.142 N/A ILE 63.A N HIS 79.A O no hydrogen 2.846 N/A GLU 64.A N LYS 98.A O no hydrogen 2.811 N/A ILE 65.A N GLY 77.A O no hydrogen 2.996 N/A ARG 66.A N TYR 96.A O no hydrogen 2.765 N/A ARG 66.A NH1 ALA 73.A O no hydrogen 3.248 N/A ARG 66.A NH2 GLU 64.A OE1 no hydrogen 3.310 N/A ASP 67.A N ASP 74.A O no hydrogen 2.720 N/A GLY 68.A N ARG 66.A O no hydrogen 3.271 N/A SER 70.A OG ASP 69.A O no hydrogen 2.483 N/A SER 70.A OG SER 72.A OG no hydrogen 3.181 N/A SER 72.A N SER 70.A OG no hydrogen 3.424 N/A SER 72.A OG SER 70.A OG no hydrogen 3.181 N/A ALA 73.A N SER 70.A O no hydrogen 3.409 N/A LEU 76.A N ILE 65.A O no hydrogen 2.961 N/A GLY 77.A N ILE 65.A O no hydrogen 3.254 N/A HIS 79.A N ILE 63.A O no hydrogen 2.819 N/A CYS 80.A SG GLU 54.A O no hydrogen 3.636 N/A GLY 81.A N ILE 53.A O no hydrogen 3.260 N/A ASN 82.A ND2 PHE 51.A O no hydrogen 3.555 N/A ILE 88.A N LEU 45.A O no hydrogen 3.309 N/A SER 90.A N ILE 43.A O no hydrogen 2.734 N/A SER 90.A OG GLY 92.A O no hydrogen 2.703 N/A SER 91.A N ASP 67.A OD1 no hydrogen 3.310 N/A SER 91.A OG ASP 67.A OD1 no hydrogen 3.354 N/A SER 91.A OG ASP 67.A OD2 no hydrogen 2.515 N/A LEU 95.A N VAL 34.A O no hydrogen 2.839 N/A TYR 96.A N ARG 66.A O no hydrogen 3.198 N/A TYR 96.A OH GLU 31.A OE1 no hydrogen 2.877 N/A ILE 97.A N TRP 32.A O no hydrogen 3.079 N/A LYS 98.A N GLU 64.A O no hydrogen 2.842 N/A LYS 98.A NZ GLU 71.A OE2 no hydrogen 2.982 N/A PHE 99.A N CYS 30.A O no hydrogen 2.837 N/A THR 100.A N PHE 62.A O no hydrogen 2.978 N/A SER 101.A N GLN 28.A O no hydrogen 3.126 N/A SER 101.A OG PRO 25.A O no hydrogen 2.969 N/A ASP 102.A N ASP 61.A OD1 no hydrogen 2.449 N/A ALA 108.A N GLU 52.A OE1 no hydrogen 2.900 N/A GLY 109.A N GLU 52.A O no hydrogen 2.712 N/A PHE 110.A N SER 17.A OG no hydrogen 2.738 N/A LEU 112.A N ILE 15.A O no hydrogen 2.881 N/A ARG 113.A N ASN 46.A O no hydrogen 2.976 N/A TYR 114.A N GLY 13.A O no hydrogen 2.892 N/A GLU 115.A N VAL 44.A O no hydrogen 3.146 N/A PHE 117.A N LYS 42.A O no hydrogen 2.615 N/A SER 121.A OG ASP 149.A OD2 no hydrogen 3.247 N/A GLU 122.A N ASN 147.A O no hydrogen 3.104 N/A SER 125.A N ASP 123.A OD1 no hydrogen 2.861 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 3.005 N/A SER 125.A OG THR 151.A O no hydrogen 3.269 N/A LYS 126.A N THR 151.A O no hydrogen 3.075 N/A PHE 128.A N THR 153.A O no hydrogen 2.945 N/A GLY 133.A N TYR 228.A O no hydrogen 3.393 N/A ILE 135.A N ALA 226.A O no hydrogen 3.018 N/A SER 137.A N PHE 224.A O no hydrogen 3.024 N/A SER 137.A OG PHE 224.A O no hydrogen 3.351 N/A PHE 140.A N SER 137.A O no hydrogen 3.453 N/A GLU 142.A N GLY 139.A O no hydrogen 3.113 N/A LYS 143.A NZ ASP 216.A O no hydrogen 2.702 N/A LYS 143.A NZ VAL 219.A O no hydrogen 3.285 N/A LYS 143.A NZ ASP 222.A OD1 no hydrogen 2.299 N/A TYR 144.A OH GLU 122.A OE1 no hydrogen 2.845 N/A HIS 146.A N TYR 144.A O no hydrogen 2.637 N/A ASP 149.A N GLU 122.A O no hydrogen 3.362 N/A CYS 150.A N PHE 213.A O no hydrogen 2.954 N/A THR 151.A N SER 125.A OG no hydrogen 2.534 N/A PHE 152.A N LEU 211.A O no hydrogen 2.831 N/A THR 153.A N LYS 126.A O no hydrogen 3.411 N/A ILE 154.A N LEU 209.A O no hydrogen 2.667 N/A LEU 155.A N PHE 128.A O no hydrogen 3.093 N/A ALA 156.A N GLY 207.A O no hydrogen 2.979 N/A LYS 159.A NZ GLU 234.A OE2 no hydrogen 2.689 N/A GLU 161.A N VAL 231.A O no hydrogen 2.854 N/A ILE 162.A N SER 204.A O no hydrogen 2.807 N/A ILE 163.A N TYR 229.A O no hydrogen 2.922 N/A LEU 164.A N LEU 202.A O no hydrogen 2.964 N/A GLN 165.A N ARG 227.A O no hydrogen 2.954 N/A LEU 167.A N SER 225.A O no hydrogen 2.797 N/A ILE 168.A N SER 225.A O no hydrogen 3.275 N/A ASP 170.A N GLY 223.A O no hydrogen 3.163 N/A LEU 171.A N GLY 195.A O no hydrogen 2.712 N/A TRP 176.A N HIS 214.A O no hydrogen 3.143 N/A LEU 177.A N TYR 193.A O no hydrogen 2.903 N/A ASP 178.A N THR 212.A O no hydrogen 3.088 N/A ILE 179.A N GLY 191.A O no hydrogen 2.941 N/A TRP 180.A N SER 210.A O no hydrogen 2.712 N/A TRP 180.A NE1 THR 212.A OG1 no hydrogen 2.939 N/A ASP 181.A N PRO 188.A O no hydrogen 2.803 N/A ILE 183.A N SER 406.A O no hydrogen 3.064 N/A VAL 186.A N ILE 183.A O no hydrogen 2.922 N/A GLY 187.A N ILE 183.A O no hydrogen 2.844 N/A ILE 190.A N ILE 179.A O no hydrogen 2.780 N/A GLY 191.A N ILE 179.A O no hydrogen 3.337 N/A TYR 193.A N LEU 177.A O no hydrogen 2.911 N/A TYR 193.A OH GLU 255.A OE1 no hydrogen 2.999 N/A THR 198.A N THR 196.A O no hydrogen 2.764 N/A SER 200.A N GLU 255.A OE1 no hydrogen 3.203 N/A SER 200.A OG GLU 255.A OE1 no hydrogen 3.320 N/A LEU 202.A N LEU 164.A O no hydrogen 2.965 N/A ARG 203.A NH1 GLU 201.A OE2 no hydrogen 3.141 N/A SER 204.A N ILE 162.A O no hydrogen 2.873 N/A SER 204.A OG THR 206.A OG1 no hydrogen 3.313 N/A SER 204.A OG ILE 208.A O no hydrogen 3.549 N/A THR 206.A N SER 204.A OG no hydrogen 3.236 N/A THR 206.A OG1 ASP 181.A OD1 no hydrogen 2.562 N/A THR 206.A OG1 ASP 181.A OD2 no hydrogen 3.329 N/A THR 206.A OG1 SER 204.A OG no hydrogen 3.313 N/A LEU 209.A N ILE 154.A O no hydrogen 3.164 N/A SER 210.A N TRP 180.A O no hydrogen 3.177 N/A SER 210.A OG GLY 182.A O no hydrogen 2.585 N/A LEU 211.A N PHE 152.A O no hydrogen 2.584 N/A THR 212.A N ASP 178.A O no hydrogen 3.033 N/A THR 212.A OG1 ASP 178.A OD1 no hydrogen 3.161 N/A PHE 213.A N CYS 150.A O no hydrogen 2.975 N/A HIS 214.A N TRP 176.A O no hydrogen 2.940 N/A HIS 214.A ND1 ASP 149.A OD1 no hydrogen 2.459 N/A THR 215.A N LEU 148.A O no hydrogen 3.135 N/A MET 217.A N ASN 147.A OD1 no hydrogen 3.001 N/A ALA 218.A N ASP 216.A OD1 no hydrogen 3.012 N/A GLY 223.A N ASP 170.A O no hydrogen 3.418 N/A PHE 224.A N SER 137.A OG no hydrogen 2.759 N/A SER 225.A N ILE 168.A O no hydrogen 3.048 N/A SER 225.A OG GLU 136.A OE1 no hydrogen 2.757 N/A ALA 226.A N ILE 135.A O no hydrogen 2.831 N/A ARG 227.A N GLN 165.A O no hydrogen 2.822 N/A ARG 227.A NE ALA 226.A O no hydrogen 3.499 N/A TYR 228.A N GLY 133.A O no hydrogen 3.058 N/A TYR 228.A OH SER 130.A O no hydrogen 2.881 N/A TYR 229.A N ILE 163.A O no hydrogen 2.797 N/A LEU 230.A N PRO 131.A O no hydrogen 2.888 N/A VAL 231.A N GLU 161.A O no hydrogen 3.009 N/A GLN 233.A N LYS 159.A O no hydrogen 2.810 N/A GLN 233.A NE2 VAL 231.A O no hydrogen 3.547 N/A GLN 233.A NE2 HIS 232.A O no hydrogen 2.610 N/A LEU 245.A N LEU 388.A O no hydrogen 2.742 N/A GLY 246.A N GLU 387.A OE1 no hydrogen 3.357 N/A MET 247.A N GLU 387.A OE1 no hydrogen 2.824 N/A GLU 248.A N GLU 387.A OE2 no hydrogen 3.004 N/A GLY 250.A N GLY 246.A O no hydrogen 2.925 N/A ILE 252.A N GLY 246.A O no hydrogen 3.026 N/A ALA 253.A N GLN 256.A OE1 no hydrogen 2.936 N/A GLN 256.A N ALA 253.A O no hydrogen 2.897 N/A GLN 256.A NE2 ASP 296.A O no hydrogen 2.756 N/A ILE 257.A N ASN 254.A O no hydrogen 2.814 N/A SER 258.A N GLN 294.A O no hydrogen 2.816 N/A SER 260.A N TYR 292.A O no hydrogen 3.186 N/A SER 260.A OG GLU 291.A OE1 no hydrogen 2.544 N/A SER 260.A OG TYR 292.A O no hydrogen 3.165 N/A SER 261.A OG GLU 291.A OE1 no hydrogen 3.189 N/A SER 261.A OG GLU 291.A OE2 no hydrogen 3.374 N/A THR 262.A OG1 TRP 268.A O no hydrogen 2.701 N/A THR 262.A OG1 THR 283.A O no hydrogen 3.299 N/A TYR 263.A N THR 283.A O no hydrogen 3.274 N/A GLY 266.A N TYR 263.A O no hydrogen 3.228 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 3.219 N/A ARG 267.A NH1 ASP 279.A OD2 no hydrogen 3.380 N/A ARG 267.A NH2 ASP 279.A OD1 no hydrogen 2.793 N/A ARG 267.A NH2 ASP 279.A OD2 no hydrogen 3.492 N/A THR 269.A N GLN 272.A OE1 no hydrogen 3.020 N/A THR 269.A OG1 GLN 272.A OE1 no hydrogen 2.967 N/A GLN 271.A NE2 ASN 254.A O no hydrogen 3.272 N/A GLN 272.A N THR 269.A O no hydrogen 3.219 N/A GLN 272.A NE2 ARG 267.A O no hydrogen 3.562 N/A GLN 272.A NE2 ASP 279.A O no hydrogen 2.867 N/A SER 273.A N PRO 270.A O no hydrogen 2.958 N/A SER 273.A OG PRO 270.A O no hydrogen 2.970 N/A ARG 274.A NH1 MET 247.A O no hydrogen 2.821 N/A ARG 274.A NH1 ILE 252.A O no hydrogen 2.870 N/A ARG 274.A NH2 ILE 252.A O no hydrogen 3.056 N/A HIS 276.A N GLN 309.A OE1 no hydrogen 2.876 N/A GLY 277.A N ARG 274.A O no hydrogen 3.155 N/A ASN 280.A ND2 ARG 267.A O no hydrogen 3.099 N/A ASN 280.A ND2 GLU 315.A OE1 no hydrogen 2.812 N/A ASN 280.A ND2 GLU 315.A OE2 no hydrogen 3.283 N/A TRP 282.A N LEU 384.A O no hydrogen 3.142 N/A TRP 282.A NE1 SER 261.A O no hydrogen 3.233 N/A THR 283.A N TRP 268.A O no hydrogen 3.307 N/A THR 283.A OG1 ILE 382.A O no hydrogen 2.508 N/A ASN 285.A N SER 261.A OG no hydrogen 2.780 N/A ASN 285.A ND2 THR 262.A O no hydrogen 3.410 N/A ASN 285.A ND2 SER 264.A OG no hydrogen 3.012 N/A LYS 290.A N SER 288.A OG no hydrogen 2.936 N/A TYR 292.A N SER 260.A OG no hydrogen 2.757 N/A LEU 293.A N ILE 373.A O no hydrogen 3.029 N/A GLN 294.A N SER 258.A O no hydrogen 2.700 N/A VAL 295.A N VAL 371.A O no hydrogen 2.761 N/A ASP 296.A N GLN 256.A O no hydrogen 2.860 N/A LEU 297.A N ARG 369.A O no hydrogen 2.877 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 2.741 N/A PHE 299.A N LEU 297.A O no hydrogen 2.798 N/A THR 301.A N THR 368.A O no hydrogen 2.637 N/A THR 301.A OG1 PHE 299.A O no hydrogen 2.960 N/A MET 302.A N CYS 391.A O no hydrogen 2.992 N/A LEU 303.A N LEU 366.A O no hydrogen 2.779 N/A THR 304.A N PHE 389.A O no hydrogen 2.745 N/A THR 304.A OG1 CYS 241.A O no hydrogen 2.726 N/A THR 304.A OG1 PHE 389.A O no hydrogen 3.391 N/A ALA 305.A N PHE 389.A O no hydrogen 3.233 N/A ILE 306.A N ASN 360.A O no hydrogen 2.909 N/A ALA 307.A N GLU 387.A O no hydrogen 3.093 N/A THR 308.A N VAL 358.A O no hydrogen 2.904 N/A THR 308.A OG1 ASN 351.A OD1 no hydrogen 3.147 N/A GLN 309.A N ARG 385.A O no hydrogen 2.978 N/A GLN 309.A NE2 THR 355.A O no hydrogen 2.511 N/A GLY 310.A N ALA 354.A O no hydrogen 2.884 N/A ALA 311.A N TYR 320.A O no hydrogen 2.916 N/A SER 313.A N ASN 318.A O no hydrogen 2.775 N/A SER 313.A OG THR 316.A OG1 no hydrogen 2.470 N/A ARG 314.A N ASN 280.A OD1 no hydrogen 2.622 N/A ARG 314.A NH1 ASP 278.A O no hydrogen 3.315 N/A THR 316.A N SER 313.A O no hydrogen 3.054 N/A THR 316.A OG1 SER 313.A OG no hydrogen 2.470 N/A THR 316.A OG1 ASN 318.A OD1 no hydrogen 2.579 N/A GLN 317.A N SER 313.A O no hydrogen 2.440 N/A TYR 320.A N ALA 311.A O no hydrogen 3.076 N/A TYR 321.A N HIS 379.A O no hydrogen 3.510 N/A LYS 323.A N THR 377.A O no hydrogen 2.732 N/A SER 324.A N THR 377.A O no hydrogen 3.182 N/A SER 324.A OG THR 377.A OG1 no hydrogen 2.674 N/A TYR 325.A N PHE 348.A O no hydrogen 3.047 N/A LYS 326.A N ARG 374.A O no hydrogen 2.844 N/A LYS 326.A NZ HIS 345.A ND1 no hydrogen 2.748 N/A GLU 328.A N ARG 372.A O no hydrogen 2.798 N/A VAL 329.A N MET 337.A O no hydrogen 2.853 N/A SER 330.A N PHE 370.A O no hydrogen 3.095 N/A SER 330.A OG ASP 335.A O no hydrogen 2.531 N/A THR 331.A N ASP 512.A OD2 no hydrogen 3.065 N/A THR 331.A OG1 ASP 512.A OD1 no hydrogen 2.555 N/A ASN 332.A N SER 330.A OG no hydrogen 3.132 N/A ASN 332.A ND2 ASP 335.A OD2 no hydrogen 2.765 N/A GLY 333.A N SER 330.A OG no hydrogen 2.801 N/A GLU 334.A N ASN 332.A OD1 no hydrogen 2.734 N/A ASP 335.A N ASN 332.A OD1 no hydrogen 2.888 N/A TRP 336.A NE1 GLY 333.A O no hydrogen 3.085 N/A MET 337.A N VAL 329.A O no hydrogen 2.809 N/A TYR 339.A N LEU 327.A O no hydrogen 2.882 N/A TYR 339.A OH ALA 364.A O no hydrogen 3.399 N/A ARG 340.A NH1 LYS 343.A O no hydrogen 2.996 N/A HIS 341.A N ASN 344.A O no hydrogen 3.304 N/A HIS 341.A ND1 HIS 363.A ND1 no hydrogen 3.263 N/A LYS 346.A N TYR 339.A O no hydrogen 3.105 N/A PHE 348.A N TYR 325.A O no hydrogen 2.694 N/A ALA 350.A N LYS 323.A O no hydrogen 2.920 N/A ASN 351.A N VAL 322.A O no hydrogen 3.168 N/A ASN 351.A ND2 THR 308.A O no hydrogen 2.805 N/A GLU 356.A N ASP 353.A OD1 no hydrogen 2.819 N/A VAL 358.A N THR 308.A O no hydrogen 2.923 N/A ASN 360.A N ILE 306.A O no hydrogen 2.717 N/A ASN 360.A ND2 TYR 325.A OH no hydrogen 3.507 N/A ASN 360.A ND2 GLN 349.A O no hydrogen 3.059 N/A LEU 362.A N THR 304.A O no hydrogen 2.769 N/A LEU 366.A N LEU 303.A O no hydrogen 2.968 N/A THR 368.A N THR 301.A O no hydrogen 2.847 N/A THR 368.A OG1 SER 330.A O no hydrogen 2.947 N/A THR 368.A OG1 PHE 370.A O no hydrogen 3.212 N/A ARG 369.A N SER 330.A O no hydrogen 3.301 N/A ARG 369.A NE ASP 296.A OD1 no hydrogen 2.834 N/A ARG 369.A NH1 LEU 189.A O no hydrogen 3.321 N/A ARG 369.A NH2 ILE 190.A O no hydrogen 3.156 N/A ARG 369.A NH2 ASP 296.A OD2 no hydrogen 3.236 N/A PHE 370.A N SER 330.A O no hydrogen 2.903 N/A VAL 371.A N VAL 295.A O no hydrogen 2.914 N/A ARG 372.A N GLU 328.A O no hydrogen 2.704 N/A ARG 372.A NE GLN 294.A OE1 no hydrogen 3.024 N/A ARG 372.A NH1 GLU 328.A OE1 no hydrogen 3.488 N/A ARG 372.A NH2 GLN 294.A OE1 no hydrogen 3.279 N/A ILE 373.A N LEU 293.A O no hydrogen 3.073 N/A ARG 374.A N LYS 326.A O no hydrogen 2.872 N/A ARG 374.A NH1 GLU 328.A OE1 no hydrogen 3.153 N/A GLN 376.A N SER 324.A O no hydrogen 2.712 N/A GLN 376.A NE2 ARG 374.A O no hydrogen 3.170 N/A THR 377.A N SER 324.A OG no hydrogen 3.093 N/A THR 377.A OG1 SER 324.A OG no hydrogen 2.674 N/A HIS 379.A N TYR 321.A O no hydrogen 2.801 N/A GLY 381.A N HIS 379.A O no hydrogen 2.593 N/A ARG 385.A N GLN 309.A O no hydrogen 3.224 N/A ARG 385.A NE GLY 310.A O no hydrogen 2.819 N/A ARG 385.A NH2 GLY 310.A O no hydrogen 3.347 N/A ARG 385.A NH2 ALA 354.A O no hydrogen 3.504 N/A GLU 387.A N ALA 307.A O no hydrogen 2.830 N/A LEU 388.A N GLU 387.A OE1 no hydrogen 3.173 N/A PHE 389.A N ALA 305.A O no hydrogen 2.912 N/A GLY 390.A N VAL 243.A O no hydrogen 2.662 N/A CYS 391.A N MET 302.A O no hydrogen 3.087 N/A CYS 391.A SG ARG 392.A O no hydrogen 3.745 N/A ARG 392.A N ASP 395.A OD2 no hydrogen 3.177 N/A ARG 392.A NH1 ARG 203.A O no hydrogen 3.065 N/A ARG 392.A NH2 ARG 203.A O no hydrogen 3.241 N/A ASP 395.A N ARG 392.A O no hydrogen 2.828 N/A CYS 398.A SG THR 461.A O no hydrogen 4.010 N/A SER 399.A OG VAL 393.A O no hydrogen 3.286 N/A ASN 400.A N GLY 547.A O no hydrogen 3.040 N/A LEU 402.A N VAL 545.A O no hydrogen 2.842 N/A GLY 403.A N GLU 544.A OE2 no hydrogen 3.290 N/A MET 404.A N GLU 544.A OE1 no hydrogen 3.034 N/A LEU 405.A N GLU 544.A OE2 no hydrogen 2.968 N/A SER 406.A OG GLY 403.A O no hydrogen 3.375 N/A GLY 407.A N GLY 403.A O no hydrogen 2.786 N/A LEU 408.A N SER 406.A OG no hydrogen 3.300 N/A ILE 409.A N GLY 403.A O no hydrogen 3.359 N/A ALA 410.A N GLN 413.A OE1 no hydrogen 2.885 N/A GLN 413.A N ALA 410.A O no hydrogen 3.084 N/A GLN 413.A NE2 ASP 455.A O no hydrogen 2.856 N/A ILE 414.A N ASP 411.A O no hydrogen 2.910 N/A SER 415.A N GLN 453.A O no hydrogen 3.012 N/A SER 417.A N TRP 451.A O no hydrogen 2.847 N/A SER 417.A OG GLU 450.A OE1 no hydrogen 3.049 N/A SER 417.A OG TRP 451.A O no hydrogen 2.959 N/A SER 418.A OG GLU 450.A OE1 no hydrogen 2.675 N/A THR 419.A OG1 GLU 421.A O no hydrogen 3.270 N/A GLN 420.A N PHE 439.A O no hydrogen 2.997 N/A SER 427.A OG ASP 411.A OD1 no hydrogen 2.337 N/A SER 427.A OG ASP 411.A OD2 no hydrogen 3.307 N/A ALA 428.A N SER 425.A O no hydrogen 3.091 N/A ALA 429.A N PRO 426.A O no hydrogen 3.202 N/A ARG 430.A N SER 427.A O no hydrogen 3.287 N/A ARG 430.A NE SER 427.A OG no hydrogen 2.912 N/A ARG 430.A NH1 MET 404.A O no hydrogen 2.903 N/A ARG 430.A NH1 ILE 409.A O no hydrogen 2.878 N/A ARG 430.A NH2 ILE 409.A O no hydrogen 2.780 N/A ARG 430.A NH2 ASP 411.A OD1 no hydrogen 3.004 N/A LEU 431.A N LEU 543.A O no hydrogen 3.122 N/A VAL 432.A N GLN 468.A OE1 no hydrogen 2.618 N/A SER 433.A N LEU 431.A O no hydrogen 2.547 N/A SER 433.A OG VAL 186.A O no hydrogen 3.403 N/A SER 433.A OG LEU 431.A O no hydrogen 3.252 N/A SER 434.A N ARG 430.A O no hydrogen 3.207 N/A SER 434.A OG ALA 428.A O no hydrogen 2.329 N/A SER 436.A N SER 434.A OG no hydrogen 3.318 N/A SER 436.A OG GLY 437.A O no hydrogen 3.562 N/A GLY 437.A N SER 436.A OG no hydrogen 2.516 N/A TRP 438.A N MET 541.A O no hydrogen 2.715 N/A TRP 438.A NE1 SER 418.A O no hydrogen 3.117 N/A ARG 441.A N SER 418.A OG no hydrogen 2.892 N/A GLN 444.A NE2 PRO 536.A O no hydrogen 2.648 N/A GLN 446.A NE2 GLU 449.A OE2 no hydrogen 2.803 N/A GLU 449.A N GLN 446.A O no hydrogen 3.099 N/A TRP 451.A N SER 417.A OG no hydrogen 2.492 N/A LEU 452.A N VAL 529.A O no hydrogen 3.087 N/A GLN 453.A N SER 415.A O no hydrogen 2.719 N/A VAL 454.A N VAL 527.A O no hydrogen 2.818 N/A ASP 455.A N GLN 413.A O no hydrogen 2.784 N/A LEU 456.A N GLN 525.A O no hydrogen 2.780 N/A GLY 457.A N ASP 455.A OD1 no hydrogen 2.714 N/A LYS 460.A N ALA 524.A O no hydrogen 2.951 N/A THR 461.A N CYS 548.A O no hydrogen 2.835 N/A VAL 462.A N ILE 522.A O no hydrogen 2.863 N/A LYS 463.A N LEU 546.A O no hydrogen 2.910 N/A GLY 464.A N LEU 546.A O no hydrogen 3.226 N/A VAL 465.A N ARG 517.A O no hydrogen 2.857 N/A ILE 466.A N GLU 544.A O no hydrogen 3.034 N/A ILE 467.A N ASP 515.A O no hydrogen 2.983 N/A GLN 468.A N ARG 542.A O no hydrogen 2.897 N/A GLN 468.A NE2 ASP 512.A O no hydrogen 2.700 N/A ALA 470.A N ALA 475.A O no hydrogen 2.962 N/A ARG 471.A N SER 436.A O no hydrogen 2.549 N/A PHE 476.A N SER 535.A OG no hydrogen 3.354 N/A ARG 478.A N ARG 533.A O no hydrogen 2.680 N/A LYS 479.A N ARG 533.A O no hydrogen 3.195 N/A LYS 479.A NZ GLU 506.A OE2 no hydrogen 3.188 N/A PHE 480.A N PHE 505.A O no hydrogen 2.921 N/A LYS 481.A N TYR 530.A O no hydrogen 2.924 N/A LYS 481.A NZ GLU 532.A OE2 no hydrogen 3.294 N/A SER 483.A N ARG 528.A O no hydrogen 3.001 N/A TYR 484.A N GLU 492.A O no hydrogen 2.865 N/A TYR 484.A OH GLU 492.A OE1 no hydrogen 2.970 N/A SER 485.A N TYR 526.A O no hydrogen 3.014 N/A SER 485.A OG ASP 490.A O no hydrogen 2.414 N/A GLU 492.A N TYR 484.A O no hydrogen 2.903 N/A ILE 494.A N VAL 482.A O no hydrogen 2.911 N/A GLN 495.A NE2 TYR 493.A O no hydrogen 3.380 N/A ASP 496.A N GLN 501.A O no hydrogen 2.920 N/A ARG 498.A N ASP 496.A OD1 no hydrogen 3.098 N/A ARG 498.A NE ASP 496.A OD1 no hydrogen 3.482 N/A ARG 498.A NH2 ASP 496.A OD2 no hydrogen 3.426 N/A THR 499.A N ASP 496.A OD1 no hydrogen 3.459 N/A THR 499.A OG1 ASP 496.A O no hydrogen 3.475 N/A GLN 500.A N ASP 496.A O no hydrogen 2.669 N/A LYS 503.A N ILE 494.A O no hydrogen 2.819 N/A LYS 503.A NZ ASP 496.A OD2 no hydrogen 3.390 N/A PHE 505.A N PHE 480.A O no hydrogen 2.617 N/A GLY 507.A N ARG 478.A O no hydrogen 2.790 N/A ASN 508.A N VAL 477.A O no hydrogen 3.009 N/A ASN 508.A ND2 ILE 467.A O no hydrogen 2.617 N/A ASN 508.A ND2 ASP 515.A OD1 no hydrogen 2.882 N/A TYR 511.A OH ASP 335.A OD1 no hydrogen 3.101 N/A ASP 512.A N HIS 510.A ND1 no hydrogen 3.029 N/A ASP 515.A N ILE 467.A O no hydrogen 2.924 N/A ARG 517.A N VAL 465.A O no hydrogen 2.824 N/A ARG 517.A NE GLU 506.A O no hydrogen 2.847 N/A ARG 517.A NH2 GLU 506.A O no hydrogen 3.497 N/A ARG 517.A NH2 GLY 507.A O no hydrogen 3.015 N/A ARG 518.A NH2 SER 399.A OG no hydrogen 3.093 N/A PHE 519.A N LYS 463.A O no hydrogen 2.997 N/A ILE 522.A N VAL 462.A O no hydrogen 3.148 N/A ALA 524.A N LYS 460.A O no hydrogen 2.857 N/A GLN 525.A N SER 485.A O no hydrogen 3.089 N/A GLN 525.A NE2 ASP 455.A OD1 no hydrogen 3.245 N/A TYR 526.A N SER 485.A O no hydrogen 2.907 N/A VAL 527.A N VAL 454.A O no hydrogen 3.054 N/A ARG 528.A N SER 483.A O no hydrogen 2.864 N/A ARG 528.A NE GLN 453.A OE1 no hydrogen 2.799 N/A ARG 528.A NH1 TYR 530.A OH no hydrogen 3.146 N/A ARG 528.A NH2 GLN 453.A OE1 no hydrogen 2.903 N/A VAL 529.A N LEU 452.A O no hydrogen 2.933 N/A TYR 530.A N LYS 481.A O no hydrogen 2.771 N/A GLU 532.A N LYS 479.A O no hydrogen 2.665 N/A ARG 533.A N LYS 479.A O no hydrogen 3.072 N/A ARG 533.A NE GLU 532.A O no hydrogen 2.971 N/A SER 535.A N PHE 476.A O no hydrogen 3.047 N/A SER 535.A OG ARG 474.A O no hydrogen 3.392 N/A GLY 538.A N SER 535.A O no hydrogen 3.119 N/A ILE 539.A N PRO 443.A O no hydrogen 2.700 N/A MET 541.A N TRP 438.A O no hydrogen 2.941 N/A ARG 542.A N GLN 468.A O no hydrogen 2.817 N/A ARG 542.A NE GLY 469.A O no hydrogen 2.818 N/A ARG 542.A NH1 SER 434.A O no hydrogen 3.248 N/A ARG 542.A NH2 GLY 469.A O no hydrogen 3.149 N/A ARG 542.A NH2 TYR 511.A O no hydrogen 3.237 N/A LEU 543.A N ALA 429.A O no hydrogen 2.971 N/A GLU 544.A N ILE 466.A O no hydrogen 3.035 N/A VAL 545.A N GLU 544.A OE1 no hydrogen 2.684 N/A LEU 546.A N GLY 464.A O no hydrogen 2.827 N/A GLY 547.A N ASN 400.A O no hydrogen 3.027 N/A CYS 548.A N THR 461.A O no hydrogen 2.807 N/A CYS 548.A SG ASP 549.A O no hydrogen 3.842 N/A