Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6qwj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A NE2 THR 1.A OG1 no hydrogen 2.751 N/A LEU 10.A N SER 7.A OG no hydrogen 2.751 N/A GLN 12.A N ASP 9.A O no hydrogen 2.948 N/A THR 15.A OG1 ASP 13.A OD2 no hydrogen 2.134 N/A ARG 18.A N THR 15.A O no hydrogen 3.220 N/A ARG 18.A NE ASP 13.A O no hydrogen 3.246 N/A ARG 18.A NH1 PHE 3.A O no hydrogen 3.429 N/A LEU 19.A N THR 16.A O no hydrogen 2.902 N/A TYR 21.A N ARG 17.A O no hydrogen 2.375 N/A GLY 22.A N ARG 18.A O no hydrogen 2.434 N/A ILE 23.A N LEU 19.A O no hydrogen 2.972 N/A ALA 24.A N TYR 21.A O no hydrogen 3.436 N/A THR 25.A OG1 TYR 21.A O no hydrogen 3.178 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.346 N/A THR 31.A OG1 ASP 28.A O no hydrogen 2.216 N/A HIS 32.A N PHE 29.A O no hydrogen 2.503 N/A HIS 32.A ND1 PHE 29.A O no hydrogen 2.386 N/A THR 36.A OG1 GLU 38.A OE1 no hydrogen 3.032 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.376 N/A ASN 39.A N THR 36.A O no hydrogen 3.039 N/A TYR 41.A N GLU 37.A O no hydrogen 2.921 N/A GLN 42.A N GLU 38.A O no hydrogen 2.891 N/A LYS 43.A N ASN 39.A O no hydrogen 2.959 N/A LEU 44.A N LEU 40.A O no hydrogen 2.834 N/A PHE 45.A N TYR 41.A O no hydrogen 2.919 N/A ALA 46.A N GLN 42.A O no hydrogen 2.971 N/A THR 47.A N LYS 43.A O no hydrogen 2.853 N/A THR 47.A OG1 LYS 43.A O no hydrogen 2.996 N/A THR 47.A OG1 LEU 44.A O no hydrogen 2.658 N/A HIS 48.A N LEU 44.A O no hydrogen 2.841 N/A PHE 49.A N PHE 45.A O no hydrogen 3.020 N/A GLY 50.A N ALA 46.A O no hydrogen 2.907 N/A HIS 51.A N THR 47.A O no hydrogen 2.832 N/A VAL 52.A N HIS 48.A O no hydrogen 3.023 N/A ALA 53.A N PHE 49.A O no hydrogen 2.889 N/A ILE 54.A N GLY 50.A O no hydrogen 2.877 N/A ILE 55.A N HIS 51.A O no hydrogen 2.986 N/A PHE 56.A N VAL 52.A O no hydrogen 2.928 N/A LEU 57.A N ALA 53.A O no hydrogen 2.887 N/A TRP 58.A N ILE 54.A O no hydrogen 2.856 N/A THR 59.A N ILE 55.A O no hydrogen 2.996 N/A THR 59.A OG1 ILE 55.A O no hydrogen 3.351 N/A THR 59.A OG1 PHE 56.A O no hydrogen 2.495 N/A SER 60.A N PHE 56.A O no hydrogen 2.883 N/A SER 60.A OG LEU 57.A O no hydrogen 2.288 N/A SER 61.A N LEU 57.A O no hydrogen 2.876 N/A LEU 62.A N TRP 58.A O no hydrogen 2.973 N/A LEU 63.A N THR 59.A O no hydrogen 2.991 N/A PHE 64.A N SER 60.A O no hydrogen 2.915 N/A HIS 65.A N SER 61.A O no hydrogen 2.931 N/A VAL 66.A N LEU 62.A O no hydrogen 2.988 N/A ALA 67.A N LEU 63.A O no hydrogen 2.918 N/A TRP 68.A N HIS 65.A O no hydrogen 2.805 N/A GLN 69.A N HIS 65.A O no hydrogen 3.101 N/A GLY 70.A N VAL 66.A O no hydrogen 2.849 N/A ASN 71.A N ASN 71.A OD1 no hydrogen 2.535 N/A ASN 71.A N TYR 119.A OH no hydrogen 3.060 N/A ASN 71.A ND2 ARG 83.A O no hydrogen 2.609 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.552 N/A TRP 75.A N ASN 71.A O no hydrogen 2.705 N/A ILE 76.A N PHE 72.A O no hydrogen 2.854 N/A LYS 77.A N GLU 73.A O no hydrogen 2.973 N/A ASP 78.A N GLN 74.A O no hydrogen 3.292 N/A VAL 82.A N ASP 78.A O no hydrogen 3.401 N/A ILE 85.A N TYR 119.A OH no hydrogen 3.281 N/A ALA 86.A N ASN 112.A O no hydrogen 2.455 N/A HIS 87.A ND1 ALA 88.A O no hydrogen 2.459 N/A ILE 89.A N PRO 110.A O no hydrogen 2.407 N/A HIS 93.A N ASP 91.A OD1 no hydrogen 3.451 N/A ASP 100.A N LYS 96.A O no hydrogen 2.845 N/A PHE 102.A N VAL 99.A O no hydrogen 3.030 N/A THR 103.A OG1 VAL 99.A O no hydrogen 3.369 N/A THR 103.A OG1 ASP 100.A O no hydrogen 3.171 N/A ALA 107.A N GLN 104.A O no hydrogen 2.769 N/A TYR 109.A OH GLN 69.A O no hydrogen 3.398 N/A ASN 112.A N HIS 87.A O no hydrogen 2.485 N/A ASN 112.A ND2 HIS 87.A NE2 no hydrogen 3.052 N/A TYR 119.A OH ASN 71.A OD1 no hydrogen 2.822 N/A HIS 120.A ND1 ALA 361.A O no hydrogen 2.868 N/A TRP 122.A N VAL 118.A O no hydrogen 2.897 N/A TYR 123.A N TYR 119.A O no hydrogen 2.925 N/A THR 124.A N HIS 120.A O no hydrogen 2.891 N/A THR 124.A OG1 HIS 120.A O no hydrogen 2.501 N/A ILE 125.A N TRP 121.A O no hydrogen 2.927 N/A GLY 126.A N TRP 122.A O no hydrogen 3.031 N/A GLY 126.A N TYR 123.A O no hydrogen 3.047 N/A MET 127.A N TRP 122.A O no hydrogen 3.296 N/A ARG 128.A N ASP 132.A OD2 no hydrogen 2.677 N/A ARG 128.A NH1 TYR 123.A O no hydrogen 2.995 N/A ARG 128.A NH1 MET 127.A O no hydrogen 2.340 N/A ARG 128.A NH2 TYR 123.A O no hydrogen 3.106 N/A THR 129.A N ASP 132.A OD2 no hydrogen 2.716 N/A ASN 130.A N GLU 73.A OE2 no hydrogen 3.399 N/A ASP 132.A N THR 129.A O no hydrogen 2.873 N/A ASP 132.A N THR 129.A OG1 no hydrogen 3.098 N/A TYR 134.A N ASN 130.A O no hydrogen 2.897 N/A SER 135.A N ASN 131.A O no hydrogen 2.834 N/A SER 135.A OG ASN 131.A O no hydrogen 2.474 N/A SER 135.A OG ASP 132.A O no hydrogen 2.636 N/A GLY 136.A N ASP 132.A O no hydrogen 2.987 N/A ALA 137.A N LEU 133.A O no hydrogen 2.847 N/A VAL 138.A N TYR 134.A O no hydrogen 2.897 N/A PHE 139.A N SER 135.A O no hydrogen 2.979 N/A LEU 140.A N GLY 136.A O no hydrogen 2.999 N/A LEU 141.A N ALA 137.A O no hydrogen 3.361 N/A LEU 143.A N PHE 139.A O no hydrogen 3.043 N/A ALA 144.A N LEU 140.A O no hydrogen 2.909 N/A GLY 145.A N LEU 141.A O no hydrogen 2.945 N/A VAL 146.A N ILE 142.A O no hydrogen 2.904 N/A PHE 147.A N LEU 143.A O no hydrogen 2.975 N/A LEU 148.A N ALA 144.A O no hydrogen 2.887 N/A PHE 149.A N GLY 145.A O no hydrogen 2.943 N/A ALA 150.A N VAL 146.A O no hydrogen 2.817 N/A GLY 151.A N PHE 147.A O no hydrogen 2.943 N/A TRP 152.A N LEU 148.A O no hydrogen 2.912 N/A LEU 153.A N PHE 149.A O no hydrogen 2.973 N/A HIS 154.A N ALA 150.A O no hydrogen 3.429 N/A HIS 154.A ND1 HIS 154.A O no hydrogen 2.824 N/A HIS 154.A ND1 PHE 159.A O no hydrogen 2.901 N/A LEU 155.A N TRP 152.A O no hydrogen 3.130 N/A GLN 156.A N LEU 153.A O no hydrogen 3.039 N/A PHE 159.A N GLN 156.A O no hydrogen 2.605 N/A PHE 166.A N SER 162.A O no hydrogen 2.915 N/A LYS 167.A N SER 164.A O no hydrogen 2.940 N/A LYS 167.A NZ LEU 163.A O no hydrogen 2.401 N/A SER 168.A N SER 164.A O no hydrogen 3.206 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.302 N/A LEU 173.A N ALA 169.A O no hydrogen 2.892 N/A ASN 174.A N GLU 170.A O no hydrogen 2.945 N/A ASN 174.A ND2 GLY 286.A O no hydrogen 2.324 N/A HIS 175.A N PRO 171.A O no hydrogen 2.818 N/A HIS 175.A ND1 PRO 171.A O no hydrogen 2.378 N/A HIS 176.A N ARG 172.A O no hydrogen 2.842 N/A LEU 177.A N LEU 173.A O no hydrogen 2.949 N/A GLY 179.A N HIS 175.A O no hydrogen 2.787 N/A LEU 180.A N HIS 176.A O no hydrogen 2.296 N/A VAL 183.A N ALA 178.A O no hydrogen 3.152 N/A SER 184.A OG GLY 179.A O no hydrogen 3.440 N/A SER 184.A OG LEU 180.A O no hydrogen 2.273 N/A SER 185.A N PHE 181.A O no hydrogen 2.428 N/A SER 185.A OG PHE 181.A O no hydrogen 2.622 N/A SER 185.A OG GLY 182.A O no hydrogen 2.208 N/A LEU 186.A N GLY 182.A O no hydrogen 2.923 N/A ALA 187.A N VAL 183.A O no hydrogen 2.885 N/A TRP 188.A N SER 184.A O no hydrogen 2.866 N/A THR 189.A N SER 185.A O no hydrogen 2.865 N/A THR 189.A OG1 SER 185.A O no hydrogen 2.964 N/A THR 189.A OG1 LEU 186.A O no hydrogen 2.329 N/A GLY 190.A N LEU 186.A O no hydrogen 2.887 N/A HIS 191.A N ALA 187.A O no hydrogen 2.919 N/A LEU 192.A N TRP 188.A O no hydrogen 2.844 N/A VAL 193.A N THR 189.A O no hydrogen 2.927 N/A HIS 194.A N GLY 190.A O no hydrogen 2.884 N/A HIS 194.A ND1 GLY 190.A O no hydrogen 2.337 N/A VAL 195.A N HIS 191.A O no hydrogen 2.987 N/A ALA 196.A N HIS 191.A O no hydrogen 2.761 N/A ILE 197.A N LEU 192.A O no hydrogen 2.528 N/A GLU 199.A N VAL 195.A O no hydrogen 3.139 N/A SER 200.A N ALA 196.A O no hydrogen 2.874 N/A SER 200.A OG ALA 196.A O no hydrogen 3.520 N/A SER 200.A OG ILE 197.A O no hydrogen 2.370 N/A ARG 201.A N ILE 197.A O no hydrogen 2.896 N/A ARG 201.A NH1 ALA 251.A O no hydrogen 3.462 N/A ARG 201.A NH2 ASP 236.A OD1 no hydrogen 3.334 N/A ARG 201.A NH2 ALA 251.A O no hydrogen 2.464 N/A GLY 202.A N GLU 199.A O no hydrogen 2.824 N/A GLN 203.A N PRO 198.A O no hydrogen 2.513 N/A GLN 203.A NE2 HIS 204.A O no hydrogen 2.318 N/A ASN 209.A ND2 HIS 204.A O no hydrogen 2.958 N/A THR 212.A N ASN 209.A O no hydrogen 3.083 N/A THR 212.A OG1 ASN 209.A O no hydrogen 2.925 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.786 N/A GLU 218.A N HIS 216.A ND1 no hydrogen 3.274 N/A GLY 219.A N HIS 216.A O no hydrogen 2.678 N/A LEU 220.A N TYR 231.A OH no hydrogen 2.823 N/A ARG 221.A NH1 LEU 220.A O no hydrogen 2.708 N/A PHE 224.A N ARG 221.A O no hydrogen 2.674 N/A THR 225.A N ARG 221.A O no hydrogen 2.362 N/A VAL 230.A N ASN 227.A O no hydrogen 2.518 N/A ALA 232.A N TRP 228.A O no hydrogen 2.772 N/A THR 237.A N GLY 247.A O no hydrogen 2.590 N/A THR 237.A OG1 GLY 247.A O no hydrogen 2.956 N/A ASN 239.A N THR 237.A OG1 no hydrogen 3.096 N/A HIS 240.A N THR 237.A O no hydrogen 3.099 N/A HIS 240.A NE2 THR 244.A O no hydrogen 2.290 N/A VAL 241.A N GLN 246.A O no hydrogen 2.680 N/A THR 244.A N VAL 241.A O no hydrogen 3.244 N/A THR 244.A OG1 VAL 241.A O no hydrogen 3.209 N/A THR 244.A OG1 PHE 242.A O no hydrogen 3.246 N/A ALA 248.A N SER 245.A O no hydrogen 2.874 N/A GLY 249.A N ASP 236.A OD1 no hydrogen 2.433 N/A THR 250.A N ASN 234.A OD1 no hydrogen 2.832 N/A THR 250.A OG1 ASN 234.A OD1 no hydrogen 2.337 N/A ALA 251.A N ASN 234.A O no hydrogen 2.795 N/A ILE 252.A N TYR 231.A O no hydrogen 3.248 N/A PHE 255.A N THR 254.A OG1 no hydrogen 2.446 N/A HIS 260.A N SER 265.A O no hydrogen 2.829 N/A SER 265.A OG PRO 358.A O no hydrogen 2.719 N/A SER 265.A OG TYR 360.A O no hydrogen 3.096 N/A TRP 267.A NE1 GLY 257.A O no hydrogen 3.238 N/A THR 269.A OG1 ILE 252.A O no hydrogen 2.835 N/A MET 271.A N TRP 267.A O no hydrogen 3.142 N/A ALA 272.A N LEU 268.A O no hydrogen 2.897 N/A HIS 273.A N THR 269.A O no hydrogen 2.906 N/A HIS 274.A N ASP 270.A O no hydrogen 2.879 N/A HIS 275.A N MET 271.A O no hydrogen 2.873 N/A LEU 276.A N ALA 272.A O no hydrogen 2.888 N/A ALA 277.A N HIS 273.A O no hydrogen 2.954 N/A ILE 278.A N HIS 274.A O no hydrogen 2.961 N/A ALA 279.A N HIS 275.A O no hydrogen 2.823 N/A VAL 280.A N LEU 276.A O no hydrogen 3.012 N/A LEU 281.A N ALA 277.A O no hydrogen 2.903 N/A PHE 282.A N ILE 278.A O no hydrogen 2.952 N/A ILE 283.A N ALA 279.A O no hydrogen 2.844 N/A ILE 284.A N VAL 280.A O no hydrogen 2.927 N/A ALA 285.A N LEU 281.A O no hydrogen 2.906 N/A GLY 286.A N PHE 282.A O no hydrogen 2.602 N/A HIS 287.A N ILE 284.A O no hydrogen 2.828 N/A HIS 287.A ND1 ILE 283.A O no hydrogen 3.065 N/A ARG 290.A N HIS 297.A O no hydrogen 2.560 N/A THR 291.A OG1 ASN 292.A OD1 no hydrogen 3.032 N/A PHE 293.A N THR 291.A OG1 no hydrogen 2.737 N/A GLY 294.A N THR 291.A O no hydrogen 3.369 N/A SER 298.A OG GLU 301.A OE1 no hydrogen 2.559 N/A GLU 301.A N SER 298.A O no hydrogen 3.062 N/A MET 302.A N SER 298.A O no hydrogen 2.897 N/A ASN 304.A ND2 LYS 300.A O no hydrogen 2.576 N/A LYS 306.A NZ LEU 303.A O no hydrogen 3.387 N/A LYS 306.A NZ ASN 304.A OD1 no hydrogen 2.965 N/A LYS 306.A NZ GLN 322.A OE1 no hydrogen 2.421 N/A THR 311.A N PHE 309.A O no hydrogen 2.678 N/A THR 311.A OG1 THR 311.A O no hydrogen 2.426 N/A LYS 312.A NZ GLY 310.A O no hydrogen 2.794 N/A THR 313.A OG1 ALA 305.A O no hydrogen 2.312 N/A THR 313.A OG1 LYS 312.A O no hydrogen 2.789 N/A GLU 314.A N ASN 318.A OD1 no hydrogen 2.396 N/A GLN 316.A NE2 MET 302.A O no hydrogen 2.969 N/A ASN 318.A N GLY 315.A O no hydrogen 2.680 N/A GLN 322.A NE2 ASN 304.A OD1 no hydrogen 2.799 N/A TYR 325.A OH HIS 321.A O no hydrogen 2.942 N/A THR 327.A N ASP 326.A OD1 no hydrogen 2.857 N/A THR 327.A OG1 LEU 324.A O no hydrogen 2.611 N/A ILE 328.A N LEU 324.A O no hydrogen 2.836 N/A ASN 329.A N ASP 326.A O no hydrogen 2.883 N/A ASN 330.A N ASP 326.A O no hydrogen 2.679 N/A SER 331.A N THR 327.A O no hydrogen 3.183 N/A HIS 333.A ND1 HIS 391.A ND1 no hydrogen 2.837 N/A GLN 335.A N GLN 335.A OE1 no hydrogen 2.316 N/A GLN 335.A NE2 SER 331.A O no hydrogen 2.413 N/A LEU 336.A N LEU 332.A O no hydrogen 2.879 N/A SER 337.A N HIS 333.A O no hydrogen 2.875 N/A SER 337.A OG HIS 333.A O no hydrogen 3.030 N/A SER 337.A OG PHE 334.A O no hydrogen 2.392 N/A LEU 338.A N PHE 334.A O no hydrogen 2.993 N/A ALA 339.A N GLN 335.A O no hydrogen 2.877 N/A LEU 340.A N LEU 336.A O no hydrogen 2.891 N/A ALA 341.A N SER 337.A O no hydrogen 2.929 N/A ALA 342.A N LEU 338.A O no hydrogen 2.940 N/A LEU 343.A N ALA 339.A O no hydrogen 2.875 N/A GLY 344.A N LEU 340.A O no hydrogen 2.878 N/A THR 345.A N ALA 341.A O no hydrogen 3.004 N/A THR 345.A OG1 ALA 341.A O no hydrogen 3.113 N/A THR 345.A OG1 ALA 342.A O no hydrogen 2.212 N/A ILE 346.A N ALA 342.A O no hydrogen 3.011 N/A THR 347.A N LEU 343.A O no hydrogen 2.852 N/A THR 347.A OG1 LEU 343.A O no hydrogen 3.179 N/A THR 347.A OG1 GLY 344.A O no hydrogen 2.359 N/A SER 348.A N GLY 344.A O no hydrogen 2.940 N/A SER 348.A OG GLY 344.A O no hydrogen 3.311 N/A SER 348.A OG THR 345.A O no hydrogen 2.360 N/A LEU 349.A N THR 345.A O no hydrogen 2.976 N/A VAL 350.A N ILE 346.A O no hydrogen 2.802 N/A ALA 351.A N THR 347.A O no hydrogen 2.884 N/A GLN 352.A N SER 348.A O no hydrogen 2.938 N/A HIS 353.A N LEU 349.A O no hydrogen 2.824 N/A ASP 366.A N MET 363.A O no hydrogen 3.331 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.490 N/A THR 369.A N ASP 366.A OD1 no hydrogen 2.776 N/A THR 369.A OG1 ASP 366.A O no hydrogen 3.269 N/A GLN 370.A N ASP 366.A O no hydrogen 3.258 N/A ALA 371.A N PHE 367.A O no hydrogen 2.943 N/A ALA 372.A N THR 368.A O no hydrogen 2.917 N/A LEU 373.A N THR 369.A O no hydrogen 2.940 N/A TYR 374.A N GLN 370.A O no hydrogen 3.446 N/A THR 375.A N ALA 371.A O no hydrogen 2.963 N/A THR 375.A OG1 ALA 371.A O no hydrogen 2.780 N/A THR 375.A OG1 ALA 372.A O no hydrogen 2.852 N/A HIS 376.A N ALA 372.A O no hydrogen 2.900 N/A HIS 377.A N LEU 373.A O no hydrogen 2.887 N/A GLN 378.A N TYR 374.A O no hydrogen 2.958 N/A GLN 378.A NE2 TYR 374.A OH no hydrogen 3.061 N/A TYR 379.A N THR 375.A O no hydrogen 2.899 N/A ILE 380.A N HIS 376.A O no hydrogen 2.962 N/A ALA 381.A N HIS 377.A O no hydrogen 2.913 N/A VAL 382.A N GLN 378.A O no hydrogen 2.964 N/A VAL 382.A N TYR 379.A O no hydrogen 3.014 N/A LEU 384.A N ILE 380.A O no hydrogen 3.278 N/A MET 385.A N ALA 381.A O no hydrogen 2.966 N/A MET 385.A N VAL 382.A O no hydrogen 3.023 N/A VAL 386.A N VAL 382.A O no hydrogen 3.360 N/A GLY 387.A N PHE 383.A O no hydrogen 2.847 N/A ALA 388.A N LEU 384.A O no hydrogen 2.953 N/A PHE 389.A N MET 385.A O no hydrogen 3.012 N/A ALA 390.A N VAL 386.A O no hydrogen 2.801 N/A HIS 391.A N GLY 387.A O no hydrogen 2.987 N/A HIS 391.A ND1 HIS 333.A ND1 no hydrogen 2.837 N/A ALA 392.A N ALA 388.A O no hydrogen 2.846 N/A GLY 393.A N PHE 389.A O no hydrogen 2.900 N/A ILE 394.A N ALA 390.A O no hydrogen 2.895 N/A PHE 395.A N HIS 391.A O no hydrogen 2.892 N/A PHE 395.A N ALA 392.A O no hydrogen 2.943 N/A TRP 396.A N ALA 392.A O no hydrogen 2.671 N/A ARG 398.A N PHE 395.A O no hydrogen 2.751 N/A ARG 398.A NH1 GLU 30.A OE2 no hydrogen 2.802 N/A ARG 398.A NH2 GLU 30.A OE2 no hydrogen 3.374 N/A ASP 399.A N PHE 395.A O no hydrogen 3.069 N/A GLN 404.A N ASP 401.A OD1 no hydrogen 2.488 N/A ASN 405.A N ASP 401.A O no hydrogen 2.935 N/A ASN 405.A N ALA 402.A O no hydrogen 2.851 N/A ASN 408.A N ASN 405.A O no hydrogen 3.028 N/A ASP 411.A N ASN 408.A OD1 no hydrogen 2.608 N/A VAL 413.A N VAL 409.A O no hydrogen 2.942 N/A LEU 414.A N LEU 410.A O no hydrogen 2.912 N/A GLN 415.A N ASP 411.A O no hydrogen 2.895 N/A GLN 415.A N ARG 412.A O no hydrogen 2.946 N/A HIS 416.A N ARG 412.A O no hydrogen 3.277 N/A HIS 416.A ND1 ARG 412.A O no hydrogen 2.789 N/A LYS 417.A NZ GLU 418.A OE2 no hydrogen 2.336 N/A GLU 418.A N GLU 418.A OE1 no hydrogen 2.512 N/A ILE 420.A N HIS 416.A O no hydrogen 3.491 N/A ILE 421.A N LYS 417.A O no hydrogen 2.944 N/A SER 422.A N GLU 418.A O no hydrogen 2.906 N/A SER 422.A OG GLU 418.A O no hydrogen 2.876 N/A SER 422.A OG ALA 419.A O no hydrogen 2.535 N/A SER 422.A OG HIS 423.A ND1 no hydrogen 3.135 N/A HIS 423.A N ALA 419.A O no hydrogen 2.929 N/A HIS 423.A ND1 ALA 419.A O no hydrogen 2.348 N/A HIS 423.A ND1 SER 422.A OG no hydrogen 3.135 N/A LEU 424.A N ILE 420.A O no hydrogen 2.898 N/A SER 425.A N ILE 421.A O no hydrogen 2.932 N/A SER 425.A OG ILE 421.A O no hydrogen 3.099 N/A SER 425.A OG SER 422.A O no hydrogen 2.415 N/A TRP 426.A N SER 422.A O no hydrogen 2.855 N/A VAL 427.A N HIS 423.A O no hydrogen 2.916 N/A SER 428.A N LEU 424.A O no hydrogen 2.992 N/A SER 428.A OG LEU 424.A O no hydrogen 3.276 N/A SER 428.A OG SER 425.A O no hydrogen 2.378 N/A LEU 429.A N SER 425.A O no hydrogen 2.925 N/A PHE 430.A N TRP 426.A O no hydrogen 2.876 N/A LEU 431.A N VAL 427.A O no hydrogen 2.924 N/A GLY 432.A N SER 428.A O no hydrogen 2.957 N/A PHE 433.A N LEU 429.A O no hydrogen 2.865 N/A HIS 434.A N PHE 430.A O no hydrogen 3.011 N/A THR 435.A N LEU 431.A O no hydrogen 2.924 N/A THR 435.A OG1 LEU 431.A O no hydrogen 2.935 N/A THR 435.A OG1 GLY 432.A O no hydrogen 3.166 N/A LEU 436.A N GLY 432.A O no hydrogen 2.929 N/A GLY 437.A N PHE 433.A O no hydrogen 2.849 N/A LEU 438.A N HIS 434.A O no hydrogen 2.943 N/A TYR 439.A N THR 435.A O no hydrogen 2.898 N/A VAL 440.A N LEU 436.A O no hydrogen 2.961 N/A HIS 441.A N GLY 437.A O no hydrogen 2.855 N/A ASN 442.A N LEU 438.A O no hydrogen 2.992 N/A ASP 443.A N TYR 439.A O no hydrogen 2.971 N/A VAL 444.A N VAL 440.A O no hydrogen 2.866 N/A VAL 445.A N HIS 441.A O no hydrogen 2.930 N/A VAL 446.A N ASN 442.A O no hydrogen 2.939 N/A PHE 448.A N VAL 445.A O no hydrogen 3.482 N/A THR 450.A OG1 VAL 445.A O no hydrogen 3.359 N/A THR 450.A OG1 THR 450.A O no hydrogen 2.653 N/A GLU 452.A N GLU 452.A OE1 no hydrogen 2.571 N/A LYS 453.A NZ GLU 452.A OE2 no hydrogen 3.479 N/A GLN 454.A N PRO 451.A O no hydrogen 2.911 N/A GLN 454.A NE2 ASN 442.A OD1 no hydrogen 2.331 N/A PHE 464.A N VAL 460.A O no hydrogen 2.865 N/A ILE 465.A N PHE 461.A O no hydrogen 2.942 N/A GLN 466.A N ALA 462.A O no hydrogen 2.854 N/A ALA 467.A N GLN 463.A O no hydrogen 2.992 N/A SER 468.A N PHE 464.A O no hydrogen 2.845 N/A HIS 469.A N ILE 465.A O no hydrogen 2.586 N/A GLY 470.A N ALA 467.A O no hydrogen 2.918 N/A LYS 471.A N GLN 466.A O no hydrogen 3.226 N/A LYS 471.A NZ TYR 474.A OH no hydrogen 3.425 N/A GLY 475.A N VAL 472.A O no hydrogen 2.734 N/A SER 481.A N THR 478.A O no hydrogen 2.970 N/A SER 481.A OG LYS 471.A O no hydrogen 2.806 N/A ASP 484.A N ASN 482.A OD1 no hydrogen 2.619 N/A SER 485.A N ASN 482.A O no hydrogen 3.488 N/A SER 485.A OG ASN 482.A O no hydrogen 3.208 N/A SER 485.A OG SER 488.A OG no hydrogen 2.326 N/A SER 488.A N SER 485.A O no hydrogen 2.768 N/A SER 488.A OG ASN 482.A O no hydrogen 2.196 N/A SER 488.A OG SER 485.A OG no hydrogen 2.326 N/A ALA 490.A N ALA 487.A O no hydrogen 2.952 N/A ALA 492.A N ALA 490.A O no hydrogen 2.866 N/A LEU 499.A N LEU 495.A O no hydrogen 2.936 N/A ASP 500.A N PRO 496.A O no hydrogen 2.921 N/A ALA 501.A N GLY 497.A O no hydrogen 2.913 N/A ILE 502.A N TRP 498.A O no hydrogen 2.942 N/A ASN 503.A N LEU 499.A O no hydrogen 2.928 N/A SER 508.A OG TYR 355.A O no hydrogen 2.217 N/A GLY 514.A N ASP 517.A OD2 no hydrogen 2.530 N/A PHE 518.A N GLY 514.A O no hydrogen 3.417 N/A LEU 519.A N PRO 515.A O no hydrogen 2.976 N/A VAL 520.A N GLY 516.A O no hydrogen 2.798 N/A HIS 521.A N ASP 517.A O no hydrogen 2.916 N/A HIS 521.A ND1 ASP 517.A O no hydrogen 2.460 N/A HIS 522.A N PHE 518.A O no hydrogen 3.127 N/A HIS 522.A ND1 PHE 518.A O no hydrogen 2.297 N/A ALA 523.A N LEU 519.A O no hydrogen 3.016 N/A PHE 524.A N VAL 520.A O no hydrogen 2.853 N/A ALA 525.A N HIS 521.A O no hydrogen 2.907 N/A LEU 526.A N HIS 522.A O no hydrogen 2.912 N/A GLY 527.A N ALA 523.A O no hydrogen 2.930 N/A ILE 528.A N PHE 524.A O no hydrogen 2.902 N/A HIS 529.A N ALA 525.A O no hydrogen 2.898 N/A HIS 529.A ND1 ALA 525.A O no hydrogen 2.359 N/A THR 530.A N LEU 526.A O no hydrogen 2.947 N/A THR 530.A OG1 LEU 526.A O no hydrogen 3.245 N/A THR 530.A OG1 GLY 527.A O no hydrogen 2.753 N/A THR 531.A N GLY 527.A O no hydrogen 2.950 N/A THR 531.A OG1 ILE 528.A O no hydrogen 3.066 N/A LEU 533.A N HIS 529.A O no hydrogen 2.852 N/A VAL 534.A N THR 530.A O no hydrogen 3.020 N/A LEU 535.A N THR 531.A O no hydrogen 3.018 N/A VAL 536.A N VAL 532.A O no hydrogen 2.885 N/A LYS 537.A N LEU 533.A O no hydrogen 3.011 N/A LYS 537.A NZ ILE 421.A O no hydrogen 3.426 N/A GLY 538.A N VAL 534.A O no hydrogen 2.922 N/A ALA 539.A N LEU 535.A O no hydrogen 2.874 N/A LEU 540.A N VAL 536.A O no hydrogen 2.913 N/A ASP 541.A N GLY 538.A O no hydrogen 3.026 N/A ALA 542.A N GLY 538.A O no hydrogen 2.942 N/A SER 545.A OG MET 548.A O no hydrogen 2.453 N/A MET 548.A N SER 545.A O no hydrogen 3.436 N/A ASP 553.A N ASP 550.A O no hydrogen 2.988 N/A PHE 554.A N LYS 551.A O no hydrogen 2.955 N/A CYS 560.A SG PHE 558.A O no hydrogen 3.178 N/A THR 568.A OG1 CYS 560.A O no hydrogen 2.233 N/A THR 568.A OG1 ASP 561.A O no hydrogen 2.133 N/A SER 572.A OG ALA 557.A O no hydrogen 2.138 N/A SER 572.A OG SER 572.A O no hydrogen 2.391 N/A ALA 573.A N ILE 571.A O no hydrogen 2.832 N/A TRP 574.A N SER 572.A O no hydrogen 2.426 N/A ALA 576.A N ASP 575.A OD1 no hydrogen 2.642 N/A TYR 578.A N TRP 574.A O no hydrogen 2.613 N/A LEU 579.A N ASP 575.A O no hydrogen 2.847 N/A ALA 580.A N ALA 576.A O no hydrogen 2.845 N/A LEU 581.A N PHE 577.A O no hydrogen 2.871 N/A PHE 582.A N TYR 578.A O no hydrogen 2.987 N/A TRP 583.A N LEU 579.A O no hydrogen 2.875 N/A ALA 584.A N LEU 581.A O no hydrogen 3.137 N/A LEU 585.A N LEU 581.A O no hydrogen 2.831 N/A ASN 586.A N PHE 582.A O no hydrogen 3.055 N/A THR 587.A OG1 TRP 583.A O no hydrogen 3.244 N/A THR 587.A OG1 ALA 584.A O no hydrogen 2.253 N/A VAL 588.A N ALA 584.A O no hydrogen 2.873 N/A GLY 589.A N LEU 585.A O no hydrogen 2.960 N/A TRP 590.A N ASN 586.A O no hydrogen 2.927 N/A VAL 591.A N THR 587.A O no hydrogen 2.957 N/A THR 592.A N VAL 588.A O no hydrogen 2.957 N/A THR 592.A OG1 TYR 722.A OH no hydrogen 2.694 N/A PHE 593.A N GLY 589.A O no hydrogen 2.876 N/A TYR 594.A N TRP 590.A O no hydrogen 2.972 N/A TYR 594.A OH ASP 517.A OD1 no hydrogen 3.293 N/A TRP 595.A N VAL 591.A O no hydrogen 2.913 N/A HIS 596.A N THR 592.A O no hydrogen 2.961 N/A TRP 597.A N PHE 593.A O no hydrogen 2.893 N/A LYS 598.A N TYR 594.A O no hydrogen 2.932 N/A LYS 598.A NZ ASP 517.A OD1 no hydrogen 2.551 N/A LYS 598.A NZ ASP 517.A OD2 no hydrogen 2.890 N/A HIS 599.A N TRP 595.A O no hydrogen 3.003 N/A HIS 599.A ND1 TRP 595.A O no hydrogen 2.285 N/A LEU 600.A N HIS 596.A O no hydrogen 2.822 N/A GLY 601.A N TRP 597.A O no hydrogen 2.968 N/A ILE 602.A N LYS 598.A O no hydrogen 2.886 N/A TRP 603.A N HIS 599.A O no hydrogen 2.932 N/A GLN 604.A NE2 PHE 734.A O no hydrogen 2.869 N/A GLY 605.A N ILE 602.A O no hydrogen 2.919 N/A ALA 608.A N ASN 606.A OD1 no hydrogen 3.316 N/A GLU 612.A N ALA 608.A O no hydrogen 2.867 N/A SER 613.A N GLN 609.A O no hydrogen 2.904 N/A SER 613.A N PHE 610.A O no hydrogen 3.141 N/A SER 613.A OG GLN 609.A O no hydrogen 2.228 N/A SER 614.A OG PHE 610.A O no hydrogen 2.264 N/A TYR 616.A OH GLU 612.A O no hydrogen 3.335 N/A TRP 620.A NE1 SER 614.A O no hydrogen 2.598 N/A LEU 621.A N LEU 617.A O no hydrogen 2.917 N/A ARG 622.A N MET 618.A O no hydrogen 2.934 N/A ASP 623.A N TRP 620.A O no hydrogen 3.376 N/A TYR 624.A OH TRP 597.A O no hydrogen 3.243 N/A SER 629.A N TRP 626.A O no hydrogen 3.128 N/A SER 629.A OG LEU 625.A O no hydrogen 2.331 N/A LEU 632.A N SER 629.A O no hydrogen 2.724 N/A ILE 633.A N SER 629.A O no hydrogen 2.926 N/A GLY 635.A N LEU 632.A O no hydrogen 3.178 N/A ASN 637.A N GLY 640.A O no hydrogen 2.939 N/A GLY 640.A N ASN 637.A OD1 no hydrogen 2.398 N/A SER 645.A N ASN 642.A O no hydrogen 3.427 N/A SER 645.A OG ASN 642.A O no hydrogen 2.392 N/A TRP 647.A N LEU 644.A O no hydrogen 3.020 N/A TRP 649.A N SER 645.A O no hydrogen 3.024 N/A MET 650.A N VAL 646.A O no hydrogen 2.930 N/A PHE 651.A N TRP 647.A O no hydrogen 2.824 N/A LEU 652.A N ALA 648.A O no hydrogen 3.039 N/A PHE 653.A N TRP 649.A O no hydrogen 2.927 N/A GLY 654.A N MET 650.A O no hydrogen 2.839 N/A HIS 655.A N PHE 651.A O no hydrogen 2.975 N/A HIS 655.A ND1 PHE 651.A O no hydrogen 2.276 N/A LEU 656.A N LEU 652.A O no hydrogen 2.999 N/A VAL 657.A N PHE 653.A O no hydrogen 2.975 N/A TRP 658.A N GLY 654.A O no hydrogen 2.859 N/A ALA 659.A N HIS 655.A O no hydrogen 3.020 N/A THR 660.A N LEU 656.A O no hydrogen 2.984 N/A THR 660.A OG1 LEU 656.A O no hydrogen 2.859 N/A GLY 661.A N TRP 658.A O no hydrogen 2.723 N/A MET 663.A N ALA 659.A O no hydrogen 3.032 N/A PHE 664.A N THR 660.A O no hydrogen 2.945 N/A LEU 665.A N GLY 661.A O no hydrogen 2.899 N/A ILE 666.A N PHE 662.A O no hydrogen 2.942 N/A SER 667.A OG MET 663.A O no hydrogen 3.052 N/A TRP 668.A NE1 LEU 665.A O no hydrogen 2.318 N/A ARG 669.A NH2 MET 701.A O no hydrogen 2.314 N/A GLY 670.A N TRP 668.A O no hydrogen 2.547 N/A TRP 672.A NE1 SER 667.A O no hydrogen 2.904 N/A TRP 672.A NE1 SER 667.A OG no hydrogen 2.737 N/A GLN 673.A N GLU 674.A OE1 no hydrogen 3.076 N/A GLN 673.A NE2 GLU 677.A OE2 no hydrogen 2.726 N/A GLU 674.A N TYR 671.A O no hydrogen 3.215 N/A ILE 676.A N GLN 673.A O no hydrogen 3.274 N/A GLU 677.A N GLU 674.A O no hydrogen 3.176 N/A GLU 677.A N GLU 677.A OE1 no hydrogen 2.823 N/A LEU 679.A N LEU 675.A O no hydrogen 2.972 N/A VAL 680.A N ILE 676.A O no hydrogen 2.862 N/A TRP 681.A N GLU 677.A O no hydrogen 2.931 N/A ALA 682.A N LEU 679.A O no hydrogen 3.254 N/A ARG 685.A N ALA 682.A O no hydrogen 3.135 N/A THR 686.A N ALA 682.A O no hydrogen 3.124 N/A THR 686.A OG1 ALA 682.A O no hydrogen 3.362 N/A VAL 692.A N ALA 689.A O no hydrogen 2.549 N/A GLY 706.A N SER 702.A O no hydrogen 2.916 N/A ARG 707.A N ILE 703.A O no hydrogen 2.933 N/A LEU 708.A N VAL 704.A O no hydrogen 2.899 N/A VAL 709.A N GLN 705.A O no hydrogen 2.922 N/A GLY 710.A N GLY 706.A O no hydrogen 2.906 N/A LEU 711.A N ARG 707.A O no hydrogen 2.917 N/A ALA 712.A N LEU 708.A O no hydrogen 2.878 N/A HIS 713.A N VAL 709.A O no hydrogen 2.870 N/A PHE 714.A N GLY 710.A O no hydrogen 2.941 N/A THR 715.A N LEU 711.A O no hydrogen 2.800 N/A THR 715.A OG1 LEU 711.A O no hydrogen 2.743 N/A VAL 716.A N ALA 712.A O no hydrogen 2.907 N/A GLY 717.A N HIS 713.A O no hydrogen 2.922 N/A TYR 718.A N PHE 714.A O no hydrogen 2.891 N/A TYR 718.A OH LEU 585.A O no hydrogen 3.039 N/A VAL 719.A N THR 715.A O no hydrogen 2.903 N/A LEU 720.A N VAL 716.A O no hydrogen 3.402 N/A TYR 722.A OH THR 592.A OG1 no hydrogen 2.694 N/A ALA 724.A N LEU 720.A O no hydrogen 2.971 N/A PHE 725.A N THR 721.A O no hydrogen 2.843 N/A VAL 726.A N TYR 722.A O no hydrogen 2.919 N/A ILE 727.A N ALA 723.A O no hydrogen 2.962 N/A ALA 728.A N ALA 724.A O no hydrogen 2.905 N/A SER 729.A N PHE 725.A O no hydrogen 2.906 N/A SER 729.A OG PHE 725.A O no hydrogen 2.185 N/A SER 729.A OG VAL 726.A O no hydrogen 3.162 N/A THR 730.A N VAL 726.A O no hydrogen 2.955 N/A ALA 731.A N ILE 727.A O no hydrogen 2.912 N/A GLY 732.A N ALA 728.A O no hydrogen 2.872 N/A GLY 732.A N SER 729.A O no hydrogen 3.170 N/A LYS 733.A N SER 729.A O no hydrogen 2.932 N/A PHE 734.A N THR 730.A O no hydrogen 3.153 N/A