Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jl9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N TRP 10.A O no hydrogen 2.899 N/A GLN 3.A NE2 HIS 82.A NE2 no hydrogen 3.687 N/A SER 4.A N GLU 77.A OE2 no hydrogen 3.247 N/A SER 4.A OG THR 78.A OG1 no hydrogen 3.226 N/A THR 5.A N HIS 8.A O no hydrogen 2.691 N/A THR 5.A OG1 HIS 8.A O no hydrogen 3.367 N/A THR 5.A OG1 GLU 75.A OE1 no hydrogen 2.721 N/A ASN 7.A N THR 5.A OG1 no hydrogen 3.109 N/A HIS 8.A N THR 5.A OG1 no hydrogen 2.693 N/A HIS 8.A ND1 GLU 75.A OE1 no hydrogen 3.257 N/A LEU 9.A N ARG 28.A O no hydrogen 2.924 N/A TRP 10.A N GLN 3.A O no hydrogen 2.910 N/A TRP 10.A NE1 GLN 3.A OE1 no hydrogen 3.179 N/A LEU 12.A N ILE 1.A O no hydrogen 3.496 N/A LEU 16.A N VAL 24.A O no hydrogen 2.881 N/A GLY 17.A N VAL 24.A O no hydrogen 3.293 N/A THR 21.A N GLY 19.A O no hydrogen 2.652 N/A ALA 22.A N GLY 19.A O no hydrogen 3.162 N/A ASN 23.A N VAL 40.A O no hydrogen 2.900 N/A VAL 24.A N GLY 17.A O no hydrogen 3.102 N/A PHE 25.A N VAL 38.A O no hydrogen 2.904 N/A ARG 26.A N ASP 14.A O no hydrogen 3.100 N/A GLY 27.A N TYR 36.A O no hydrogen 2.905 N/A ARG 28.A N LEU 9.A O no hydrogen 2.890 N/A ARG 28.A NE GLY 33.A O no hydrogen 3.266 N/A HIS 29.A N ASP 34.A O no hydrogen 2.996 N/A LYS 30.A N ASN 7.A O no hydrogen 3.050 N/A LYS 30.A NZ THR 5.A O no hydrogen 2.983 N/A LYS 31.A NZ ASN 7.A OD1 no hydrogen 2.984 N/A THR 32.A N HIS 29.A O no hydrogen 3.122 N/A THR 32.A OG1 ASP 34.A OD2 no hydrogen 2.890 N/A GLY 33.A N HIS 29.A O no hydrogen 2.497 N/A ASP 34.A N THR 32.A OG1 no hydrogen 3.350 N/A TYR 36.A N GLY 27.A O no hydrogen 2.892 N/A ALA 37.A N MET 87.A O no hydrogen 2.905 N/A VAL 38.A N PHE 25.A O no hydrogen 2.879 N/A LYS 39.A N LEU 85.A O no hydrogen 2.888 N/A VAL 40.A N ASN 23.A O no hydrogen 2.897 N/A PHE 41.A N LYS 83.A O no hydrogen 3.181 N/A ASN 42.A N THR 21.A O no hydrogen 2.943 N/A ASN 43.A N PHE 41.A O no hydrogen 2.545 N/A SER 45.A N ASN 43.A O no hydrogen 2.416 N/A SER 45.A OG ASN 43.A O no hydrogen 3.330 N/A PHE 46.A N ILE 44.A O no hydrogen 2.630 N/A GLN 53.A NE2 VAL 50.A O no hydrogen 2.975 N/A MET 54.A N VAL 50.A O no hydrogen 3.288 N/A ARG 55.A N ASP 51.A O no hydrogen 2.904 N/A GLU 56.A N VAL 52.A O no hydrogen 2.919 N/A PHE 57.A N GLN 53.A O no hydrogen 2.884 N/A GLU 58.A N MET 54.A O no hydrogen 2.906 N/A VAL 59.A N ARG 55.A O no hydrogen 2.931 N/A LEU 60.A N GLU 56.A O no hydrogen 2.906 N/A LYS 61.A N PHE 57.A O no hydrogen 2.913 N/A LYS 61.A NZ PHE 72.A O no hydrogen 3.092 N/A LYS 62.A N GLU 58.A O no hydrogen 3.186 N/A LEU 63.A N LEU 60.A O no hydrogen 3.260 N/A ASN 67.A ND2 TYR 154.A O no hydrogen 3.318 N/A VAL 69.A N LEU 156.A O no hydrogen 3.397 N/A LYS 70.A N GLU 88.A OE1 no hydrogen 3.312 N/A PHE 72.A N ILE 86.A O no hydrogen 2.579 N/A ALA 73.A N ILE 86.A O no hydrogen 2.938 N/A GLU 75.A N VAL 84.A O no hydrogen 2.941 N/A GLU 77.A N HIS 82.A O no hydrogen 3.144 N/A THR 78.A N SER 4.A O no hydrogen 2.875 N/A THR 78.A OG1 SER 4.A O no hydrogen 3.000 N/A THR 78.A OG1 SER 4.A OG no hydrogen 3.226 N/A THR 78.A OG1 GLU 77.A OE1 no hydrogen 3.483 N/A THR 78.A OG1 GLU 77.A OE2 no hydrogen 3.357 N/A THR 79.A N GLU 77.A OE1 no hydrogen 2.594 N/A THR 79.A OG1 GLU 77.A OE1 no hydrogen 3.231 N/A THR 80.A N GLU 77.A OE1 no hydrogen 2.718 N/A THR 80.A OG1 GLU 77.A OE1 no hydrogen 3.022 N/A THR 80.A OG1 HIS 82.A NE2 no hydrogen 2.632 N/A ARG 81.A N GLU 77.A O no hydrogen 3.237 N/A ARG 81.A NH1 ARG 81.A O no hydrogen 2.868 N/A HIS 82.A N THR 80.A O no hydrogen 2.560 N/A HIS 82.A ND1 ASN 43.A OD1 no hydrogen 2.370 N/A VAL 84.A N GLU 75.A O no hydrogen 2.859 N/A LEU 85.A N LYS 39.A O no hydrogen 2.919 N/A ILE 86.A N ALA 73.A O no hydrogen 2.888 N/A MET 87.A N ALA 37.A O no hydrogen 2.910 N/A GLU 88.A N LYS 70.A O no hydrogen 2.903 N/A GLY 93.A N CYS 90.A O no hydrogen 3.347 N/A SER 94.A N THR 97.A OG1 no hydrogen 3.205 N/A SER 94.A OG PRO 139.A O no hydrogen 3.271 N/A LEU 95.A N ILE 142.A O no hydrogen 2.592 N/A TYR 96.A N PRO 139.A O no hydrogen 2.974 N/A VAL 98.A N SER 94.A O no hydrogen 3.210 N/A LEU 99.A N LEU 95.A O no hydrogen 2.903 N/A GLU 101.A N VAL 98.A O no hydrogen 3.078 N/A SER 103.A OG ASN 104.A OD1 no hydrogen 3.328 N/A ASN 104.A N GLU 101.A O no hydrogen 2.934 N/A ASN 104.A ND2 VAL 98.A O no hydrogen 3.251 N/A ALA 105.A N PRO 102.A O no hydrogen 3.183 N/A LEU 108.A N ALA 208.A O no hydrogen 2.903 N/A PHE 113.A N PRO 109.A O no hydrogen 2.927 N/A LEU 114.A N GLU 110.A O no hydrogen 2.919 N/A ILE 115.A N SER 111.A O no hydrogen 2.934 N/A VAL 116.A N GLU 112.A O no hydrogen 2.892 N/A LEU 117.A N PHE 113.A O no hydrogen 2.901 N/A ARG 118.A N LEU 114.A O no hydrogen 2.932 N/A ARG 118.A NE ASP 119.A OD1 no hydrogen 2.896 N/A ARG 118.A NH2 ASP 119.A OD1 no hydrogen 2.861 N/A ARG 118.A NH2 ASP 119.A OD2 no hydrogen 2.933 N/A ASP 119.A N ILE 115.A O no hydrogen 2.926 N/A VAL 120.A N VAL 116.A O no hydrogen 2.911 N/A VAL 121.A N LEU 117.A O no hydrogen 2.939 N/A GLY 122.A N ARG 118.A O no hydrogen 2.923 N/A GLY 123.A N ASP 119.A O no hydrogen 2.905 N/A MET 124.A N VAL 120.A O no hydrogen 2.920 N/A ASN 125.A N VAL 121.A O no hydrogen 2.896 N/A HIS 126.A N GLY 122.A O no hydrogen 2.930 N/A LEU 127.A N GLY 123.A O no hydrogen 2.912 N/A ARG 128.A N MET 124.A O no hydrogen 2.910 N/A GLU 129.A N ASN 125.A O no hydrogen 3.185 N/A ASN 130.A N LEU 127.A O no hydrogen 3.163 N/A ASN 130.A ND2 HIS 126.A O no hydrogen 3.452 N/A GLY 131.A N ARG 128.A O no hydrogen 3.222 N/A LYS 138.A N ASN 141.A OD1 no hydrogen 3.417 N/A ASN 141.A N LYS 138.A O no hydrogen 2.981 N/A ILE 142.A N PRO 139.A O no hydrogen 3.434 N/A MET 143.A N LYS 155.A O no hydrogen 2.882 N/A ARG 144.A N GLY 93.A O no hydrogen 2.739 N/A VAL 145.A N VAL 153.A O no hydrogen 2.917 N/A GLY 147.A N GLN 151.A O no hydrogen 3.259 N/A GLY 150.A N GLY 147.A O no hydrogen 3.163 N/A GLN 151.A NE2 ASP 149.A OD2 no hydrogen 2.533 N/A SER 152.A OG GLU 112.A OE1 no hydrogen 3.272 N/A SER 152.A OG GLU 112.A OE2 no hydrogen 2.533 N/A VAL 153.A N VAL 145.A O no hydrogen 2.848 N/A TYR 154.A N ASP 119.A OD2 no hydrogen 3.079 N/A TYR 154.A OH GLU 112.A OE2 no hydrogen 2.504 N/A LYS 155.A N MET 143.A O no hydrogen 2.912 N/A LEU 156.A N ASN 67.A O no hydrogen 2.765 N/A THR 157.A N ASN 141.A O no hydrogen 3.181 N/A ALA 162.A N GLY 160.A O no hydrogen 2.809 N/A THR 170.A OG1 ASP 168.A OD1 no hydrogen 3.442 N/A THR 170.A OG1 ASP 168.A OD2 no hydrogen 3.417 N/A TYR 173.A N THR 170.A O no hydrogen 3.341 N/A MET 178.A N HIS 175.A O no hydrogen 2.805 N/A GLU 180.A N PRO 176.A O no hydrogen 2.904 N/A ARG 181.A N ASP 177.A O no hydrogen 2.906 N/A ARG 181.A NH2 ASP 167.A O no hydrogen 2.431 N/A ALA 182.A N MET 178.A O no hydrogen 2.922 N/A VAL 183.A N TYR 179.A O no hydrogen 2.886 N/A LEU 184.A N GLU 180.A O no hydrogen 2.909 N/A ARG 185.A N ALA 182.A O no hydrogen 3.199 N/A ARG 185.A NH1 GLU 164.A OE2 no hydrogen 3.302 N/A LYS 186.A N ALA 182.A O no hydrogen 2.986 N/A HIS 188.A N ARG 185.A O no hydrogen 3.245 N/A HIS 188.A ND1 ARG 185.A O no hydrogen 2.590 N/A GLN 189.A NE2 LYS 186.A O no hydrogen 3.113 N/A LYS 190.A NZ ASP 187.A OD1 no hydrogen 3.321 N/A THR 195.A OG1 LYS 191.A O no hydrogen 2.565 N/A SER 200.A N VAL 196.A O no hydrogen 2.946 N/A SER 200.A OG ILE 137.A O no hydrogen 2.518 N/A VAL 201.A N ASP 197.A O no hydrogen 2.913 N/A GLY 202.A N LEU 198.A O no hydrogen 2.910 N/A VAL 203.A N TRP 199.A O no hydrogen 2.923 N/A THR 204.A N SER 200.A O no hydrogen 2.927 N/A THR 204.A OG1 ILE 137.A O no hydrogen 3.089 N/A THR 204.A OG1 SER 200.A O no hydrogen 3.172 N/A PHE 205.A N VAL 201.A O no hydrogen 2.897 N/A TYR 206.A N GLY 202.A O no hydrogen 2.935 N/A TYR 206.A OH SER 241.A OG no hydrogen 3.156 N/A HIS 207.A N VAL 203.A O no hydrogen 2.902 N/A ALA 208.A N THR 204.A O no hydrogen 2.906 N/A ALA 209.A N PHE 205.A O no hydrogen 2.911 N/A THR 210.A N TYR 206.A O no hydrogen 2.898 N/A THR 210.A OG1 TYR 206.A O no hydrogen 2.964 N/A THR 210.A OG1 SER 212.A OG no hydrogen 3.419 N/A GLY 211.A N HIS 207.A O no hydrogen 2.965 N/A SER 212.A N THR 210.A OG1 no hydrogen 3.199 N/A SER 212.A OG THR 210.A OG1 no hydrogen 3.419 N/A ARG 216.A N GLY 242.A O no hydrogen 3.364 N/A ASN 224.A N PRO 221.A O no hydrogen 3.136 N/A TYR 229.A N LYS 225.A O no hydrogen 2.937 N/A ILE 231.A N VAL 227.A O no hydrogen 2.909 N/A ILE 232.A N MET 228.A O no hydrogen 2.926 N/A THR 233.A N TYR 229.A O no hydrogen 2.921 N/A THR 233.A OG1 TYR 229.A O no hydrogen 2.628 N/A LYS 235.A NZ ALA 239.A O no hydrogen 2.908 N/A LYS 235.A NZ LEU 279.A O no hydrogen 3.055 N/A SER 237.A OG GLU 280.A OE1 no hydrogen 3.016 N/A ALA 239.A N PRO 236.A O no hydrogen 3.459 N/A ILE 240.A N SER 254.A O no hydrogen 2.854 N/A SER 241.A N SER 254.A O no hydrogen 2.903 N/A SER 241.A OG TYR 206.A OH no hydrogen 3.156 N/A GLY 242.A N PRO 214.A O no hydrogen 3.077 N/A VAL 243.A N ASP 252.A O no hydrogen 3.187 N/A GLN 244.A N ARG 216.A O no hydrogen 2.843 N/A GLN 244.A NE2 ASN 248.A O no hydrogen 3.375 N/A ASN 248.A ND2 GLU 247.A O no hydrogen 3.002 N/A ASP 252.A N VAL 243.A O no hydrogen 2.801 N/A SER 254.A N SER 241.A O no hydrogen 2.944 N/A SER 254.A OG ASP 256.A O no hydrogen 3.092 N/A ASP 256.A N SER 254.A OG no hydrogen 3.053 N/A CYS 261.A N PRO 258.A O no hydrogen 3.076 N/A CYS 261.A SG ALA 209.A O no hydrogen 3.323 N/A SER 264.A N GLU 110.A OE1 no hydrogen 2.979 N/A SER 264.A OG GLU 110.A OE1 no hydrogen 3.270 N/A SER 264.A OG GLU 110.A OE2 no hydrogen 2.359 N/A GLN 268.A N SER 264.A O no hydrogen 2.991 N/A GLN 268.A NE2 LEU 263.A O no hydrogen 3.251 N/A ALA 269.A N GLN 265.A O no hydrogen 2.895 N/A LEU 270.A N GLY 266.A O no hydrogen 2.938 N/A LEU 271.A N GLN 268.A O no hydrogen 3.096 N/A THR 272.A N GLN 268.A O no hydrogen 2.918 N/A LEU 275.A N LEU 271.A O no hydrogen 3.286 N/A ALA 276.A N THR 272.A O no hydrogen 3.108 N/A ASN 277.A N PRO 273.A O no hydrogen 3.074 N/A ILE 278.A N LEU 275.A O no hydrogen 3.269 N/A LYS 285.A NZ ASP 282.A OD1 no hydrogen 2.766 N/A LYS 285.A NZ ASP 282.A OD2 no hydrogen 3.249 N/A CYS 286.A N GLN 283.A O no hydrogen 3.291 N/A CYS 286.A SG GLU 280.A O no hydrogen 3.165 N/A PHE 292.A N GLY 288.A O no hydrogen 3.364 N/A PHE 293.A N PHE 289.A O no hydrogen 2.863 N/A ALA 294.A N ASP 290.A O no hydrogen 2.922 N/A GLU 295.A N GLN 291.A O no hydrogen 2.890 N/A THR 296.A N PHE 292.A O no hydrogen 2.905 N/A THR 296.A OG1 PHE 292.A O no hydrogen 2.844 N/A THR 296.A OG1 PHE 293.A O no hydrogen 2.988 N/A SER 297.A N PHE 293.A O no hydrogen 2.875 N/A SER 297.A OG PHE 293.A O no hydrogen 2.525 N/A ASP 298.A N ALA 294.A O no hydrogen 2.906 N/A VAL 299.A N GLU 295.A O no hydrogen 2.928 N/A LEU 300.A N THR 296.A O no hydrogen 2.881 N/A HIS 301.A N SER 297.A O no hydrogen 2.921 N/A HIS 301.A ND1 SER 297.A O no hydrogen 2.403 N/A ARG 302.A NE TYR 319.A O no hydrogen 2.710 N/A MET 303.A N ILE 320.A O no hydrogen 2.830 N/A ILE 305.A N ILE 318.A O no hydrogen 2.928 N/A HIS 306.A N THR 367.A OG1 no hydrogen 3.160 N/A HIS 306.A ND1 THR 367.A O no hydrogen 3.058 N/A VAL 307.A N HIS 316.A O no hydrogen 2.914 N/A PHE 308.A N ILE 373.A O no hydrogen 2.924 N/A SER 309.A N THR 314.A O no hydrogen 2.885 N/A SER 309.A OG HIS 312.A ND1 no hydrogen 2.350 N/A LEU 310.A N VAL 375.A O no hydrogen 3.034 N/A GLN 311.A NE2 THR 376.A OG1 no hydrogen 2.778 N/A GLN 311.A NE2 GLU 379.A O no hydrogen 3.543 N/A HIS 312.A ND1 SER 309.A OG no hydrogen 2.350 N/A THR 314.A N SER 309.A O no hydrogen 2.950 N/A THR 314.A OG1 HIS 316.A NE2 no hydrogen 2.960 N/A ALA 315.A N TYR 429.A OH no hydrogen 3.228 N/A HIS 316.A N VAL 307.A O no hydrogen 2.884 N/A HIS 316.A ND1 GLN 336.A OE1 no hydrogen 2.898 N/A HIS 316.A NE2 THR 314.A OG1 no hydrogen 2.960 N/A LYS 317.A NZ GLU 110.A OE1 no hydrogen 3.157 N/A ILE 318.A N ILE 305.A O no hydrogen 2.915 N/A TYR 319.A OH GLU 110.A OE2 no hydrogen 2.648 N/A HIS 321.A NE2 ASP 298.A OD1 no hydrogen 2.634 N/A ASN 324.A N HIS 321.A O no hydrogen 3.356 N/A HIS 330.A N ALA 326.A O no hydrogen 2.901 N/A HIS 330.A ND1 GLN 344.A OE1 no hydrogen 2.598 N/A GLU 331.A N ALA 327.A O no hydrogen 2.926 N/A LEU 332.A N VAL 328.A O no hydrogen 2.893 N/A VAL 333.A N PHE 329.A O no hydrogen 2.930 N/A TYR 334.A N HIS 330.A O no hydrogen 2.911 N/A LYS 335.A N GLU 331.A O no hydrogen 2.892 N/A GLN 336.A N LEU 332.A O no hydrogen 2.939 N/A GLN 336.A NE2 LYS 317.A O no hydrogen 3.453 N/A THR 337.A N VAL 333.A O no hydrogen 2.916 N/A THR 337.A N TYR 334.A O no hydrogen 3.096 N/A THR 337.A OG1 VAL 333.A O no hydrogen 2.276 N/A LYS 338.A N TYR 334.A O no hydrogen 2.479 N/A SER 342.A OG VAL 340.A O no hydrogen 3.445 N/A ASN 343.A N VAL 340.A O no hydrogen 2.674 N/A GLN 344.A N SER 341.A O no hydrogen 2.973 N/A GLN 344.A NE2 HIS 330.A O no hydrogen 2.785 N/A GLN 344.A NE2 ILE 339.A O no hydrogen 3.005 N/A GLU 345.A N THR 376.A O no hydrogen 2.754 N/A ILE 347.A N PHE 374.A O no hydrogen 2.870 N/A TYR 348.A N ARG 351.A O no hydrogen 2.802 N/A TYR 348.A OH LYS 366.A O no hydrogen 3.344 N/A ARG 351.A N TYR 348.A O no hydrogen 3.193 N/A ARG 352.A NH1 ASP 447.A OD2 no hydrogen 3.358 N/A ARG 352.A NH2 ASP 447.A OD2 no hydrogen 2.733 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.420 N/A ARG 359.A N GLU 356.A O no hydrogen 3.134 N/A ARG 359.A NH2 HIS 363.A O no hydrogen 2.516 N/A GLN 362.A NE2 SER 322.A O no hydrogen 2.736 N/A PHE 364.A N ALA 361.A O no hydrogen 3.335 N/A GLU 370.A N THR 368.A OG1 no hydrogen 3.183 N/A ASN 371.A ND2 GLU 349.A OE1 no hydrogen 3.499 N/A ILE 373.A N HIS 306.A O no hydrogen 2.940 N/A PHE 374.A N ILE 347.A O no hydrogen 2.921 N/A VAL 375.A N PHE 308.A O no hydrogen 2.904 N/A THR 376.A N GLU 345.A O no hydrogen 2.939 N/A THR 376.A OG1 SER 377.A O no hydrogen 3.502 N/A ARG 378.A NE GLU 345.A OE2 no hydrogen 3.100 N/A GLU 379.A N SER 377.A OG no hydrogen 3.313 N/A GLN 380.A NE2 ARG 611.A O no hydrogen 3.160 N/A THR 383.A N GLU 607.A OE2 no hydrogen 3.173 N/A VAL 384.A N HIS 312.A O no hydrogen 2.663 N/A GLY 385.A N HIS 312.A O no hydrogen 2.726 N/A LEU 386.A N TYR 599.A OH no hydrogen 3.194 N/A GLU 389.A N TYR 418.A OH no hydrogen 3.292 N/A ILE 391.A N GLU 389.A O no hydrogen 2.767 N/A ASP 401.A N ASP 405.A OD2 no hydrogen 3.477 N/A ASP 405.A N ASP 401.A O no hydrogen 2.694 N/A ALA 406.A N LEU 402.A O no hydrogen 2.916 N/A SER 407.A N ASP 403.A O no hydrogen 2.940 N/A MET 408.A N GLY 404.A O no hydrogen 2.901 N/A ALA 409.A N ASP 405.A O no hydrogen 2.904 N/A LYS 410.A N ALA 406.A O no hydrogen 2.945 N/A ALA 411.A N SER 407.A O no hydrogen 2.943 N/A VAL 412.A N MET 408.A O no hydrogen 2.905 N/A THR 413.A N ALA 409.A O no hydrogen 2.925 N/A THR 413.A OG1 ALA 409.A O no hydrogen 2.715 N/A GLY 414.A N LYS 410.A O no hydrogen 2.958 N/A VAL 415.A N ALA 411.A O no hydrogen 2.945 N/A VAL 416.A N VAL 412.A O no hydrogen 2.924 N/A CYS 417.A N THR 413.A O no hydrogen 2.917 N/A TYR 418.A N GLY 414.A O no hydrogen 2.943 N/A ALA 419.A N VAL 415.A O no hydrogen 2.931 N/A CYS 420.A N VAL 416.A O no hydrogen 2.917 N/A CYS 420.A SG VAL 416.A O no hydrogen 3.891 N/A ARG 421.A N CYS 417.A O no hydrogen 2.945 N/A ARG 421.A NH2 SER 103.A O no hydrogen 2.567 N/A THR 422.A N TYR 418.A O no hydrogen 2.920 N/A THR 422.A OG1 TYR 418.A O no hydrogen 2.785 N/A ALA 423.A N ALA 419.A O no hydrogen 2.917 N/A SER 424.A N CYS 420.A O no hydrogen 2.943 N/A THR 425.A N ARG 421.A O no hydrogen 2.936 N/A THR 425.A OG1 ARG 421.A O no hydrogen 3.210 N/A LEU 426.A N THR 422.A O no hydrogen 2.903 N/A LEU 427.A N ALA 423.A O no hydrogen 2.951 N/A LEU 428.A N SER 424.A O no hydrogen 2.926 N/A TYR 429.A N THR 425.A O no hydrogen 2.904 N/A GLN 430.A N LEU 426.A O no hydrogen 2.950 N/A GLU 431.A N LEU 427.A O no hydrogen 2.921 N/A LEU 432.A N LEU 428.A O no hydrogen 2.904 N/A MET 433.A N TYR 429.A O no hydrogen 2.930 N/A ARG 434.A N GLN 430.A O no hydrogen 2.930 N/A ARG 434.A NE ALA 527.A O no hydrogen 2.822 N/A ARG 434.A NH1 THR 532.A O no hydrogen 3.514 N/A ARG 434.A NH2 GLU 530.A O no hydrogen 3.304 N/A ARG 434.A NH2 THR 532.A O no hydrogen 3.310 N/A LYS 435.A N GLU 431.A O no hydrogen 2.945 N/A LYS 435.A NZ GLU 370.A O no hydrogen 3.384 N/A GLY 436.A N LEU 432.A O no hydrogen 2.912 N/A VAL 437.A N MET 433.A O no hydrogen 2.911 N/A ARG 438.A N ARG 434.A O no hydrogen 2.950 N/A TRP 439.A N LYS 435.A O no hydrogen 2.943 N/A LEU 440.A N GLY 436.A O no hydrogen 2.895 N/A VAL 441.A N VAL 437.A O no hydrogen 2.917 N/A GLU 442.A N ARG 438.A O no hydrogen 3.003 N/A LEU 443.A N LEU 440.A O no hydrogen 3.116 N/A VAL 444.A N LEU 440.A O no hydrogen 2.911 N/A VAL 444.A N VAL 441.A O no hydrogen 2.960 N/A LYS 445.A N VAL 441.A O no hydrogen 3.004 N/A LYS 445.A NZ LEU 516.A O no hydrogen 3.258 N/A TYR 448.A N VAL 444.A O no hydrogen 2.946 N/A ASN 449.A N LYS 445.A O no hydrogen 2.934 N/A GLU 450.A N ASP 446.A O no hydrogen 2.916 N/A THR 451.A N ASP 447.A O no hydrogen 2.927 N/A THR 451.A OG1 ASP 447.A O no hydrogen 3.049 N/A THR 451.A OG1 THR 624.A OG1 no hydrogen 2.662 N/A VAL 452.A N TYR 448.A O no hydrogen 2.918 N/A HIS 453.A N ASN 449.A O no hydrogen 2.923 N/A LYS 454.A N GLU 450.A O no hydrogen 2.957 N/A LYS 454.A NZ GLU 631.A OE1 no hydrogen 3.218 N/A LYS 454.A NZ GLU 631.A OE2 no hydrogen 2.675 N/A LYS 455.A N THR 451.A O no hydrogen 2.893 N/A THR 456.A N VAL 452.A O no hydrogen 2.912 N/A THR 456.A OG1 VAL 452.A O no hydrogen 3.318 N/A THR 456.A OG1 HIS 453.A O no hydrogen 3.068 N/A GLU 457.A N HIS 453.A O no hydrogen 2.938 N/A VAL 458.A N LYS 454.A O no hydrogen 2.974 N/A VAL 458.A N LYS 455.A O no hydrogen 2.886 N/A VAL 459.A N LYS 455.A O no hydrogen 2.882 N/A ILE 460.A N THR 456.A O no hydrogen 2.965 N/A THR 461.A OG1 GLU 457.A O no hydrogen 3.280 N/A LEU 462.A N VAL 458.A O no hydrogen 2.949 N/A ASP 463.A N VAL 459.A O no hydrogen 2.894 N/A PHE 464.A N ILE 460.A O no hydrogen 2.931 N/A CYS 465.A N THR 461.A O no hydrogen 2.921 N/A CYS 465.A SG THR 461.A O no hydrogen 3.408 N/A ILE 466.A N LEU 462.A O no hydrogen 2.932 N/A ARG 467.A N ASP 463.A O no hydrogen 2.928 N/A ASN 468.A N PHE 464.A O no hydrogen 2.885 N/A ILE 469.A N CYS 465.A O no hydrogen 2.957 N/A GLU 470.A N ILE 466.A O no hydrogen 2.949 N/A LYS 471.A N ARG 467.A O no hydrogen 2.922 N/A THR 472.A N ASN 468.A O no hydrogen 2.870 N/A THR 472.A OG1 ASN 468.A O no hydrogen 3.021 N/A THR 472.A OG1 ILE 469.A O no hydrogen 3.116 N/A VAL 473.A N ILE 469.A O no hydrogen 2.945 N/A LYS 474.A N GLU 470.A O no hydrogen 2.921 N/A VAL 475.A N LYS 471.A O no hydrogen 2.923 N/A TYR 476.A N THR 472.A O no hydrogen 2.911 N/A GLU 477.A N VAL 473.A O no hydrogen 2.905 N/A LYS 478.A N VAL 475.A O no hydrogen 3.366 N/A LEU 479.A N VAL 475.A O no hydrogen 2.913 N/A MET 480.A N TYR 476.A O no hydrogen 2.961 N/A VAL 482.A N MET 480.A O no hydrogen 2.518 N/A GLU 487.A N GLU 484.A O no hydrogen 3.063 N/A ILE 488.A N GLU 484.A O no hydrogen 3.167 N/A ASP 490.A N GLU 487.A O no hydrogen 3.397 N/A HIS 492.A N ILE 488.A O no hydrogen 2.902 N/A THR 493.A N SER 489.A O no hydrogen 2.911 N/A THR 493.A OG1 SER 489.A O no hydrogen 2.329 N/A LYS 494.A N ASP 490.A O no hydrogen 2.895 N/A LEU 495.A N ILE 491.A O no hydrogen 2.925 N/A LEU 496.A N HIS 492.A O no hydrogen 2.945 N/A ARG 497.A N THR 493.A O no hydrogen 2.886 N/A LEU 498.A N LYS 494.A O no hydrogen 2.928 N/A LEU 498.A N LEU 495.A O no hydrogen 3.065 N/A SER 499.A N LEU 495.A O no hydrogen 2.927 N/A SER 499.A OG LEU 495.A O no hydrogen 3.382 N/A SER 500.A N LEU 496.A O no hydrogen 2.940 N/A SER 500.A OG ARG 497.A O no hydrogen 2.672 N/A SER 501.A OG ARG 497.A O no hydrogen 3.322 N/A GLN 502.A N LEU 498.A O no hydrogen 2.928 N/A GLY 503.A N SER 499.A O no hydrogen 2.941 N/A THR 504.A N SER 500.A O no hydrogen 2.949 N/A THR 504.A OG1 SER 500.A O no hydrogen 3.490 N/A ILE 505.A N SER 501.A O no hydrogen 2.929 N/A GLU 506.A N GLN 502.A O no hydrogen 2.913 N/A SER 507.A N GLY 503.A O no hydrogen 2.932 N/A SER 508.A N THR 504.A O no hydrogen 2.956 N/A LEU 509.A N ILE 505.A O no hydrogen 2.898 N/A GLN 510.A N GLU 506.A O no hydrogen 2.915 N/A ASP 511.A N SER 507.A O no hydrogen 2.942 N/A ILE 512.A N SER 508.A O no hydrogen 2.959 N/A SER 513.A N LEU 509.A O no hydrogen 2.899 N/A SER 513.A OG TYR 448.A OH no hydrogen 3.086 N/A SER 514.A N GLN 510.A O no hydrogen 2.946 N/A SER 514.A N ASP 511.A O no hydrogen 3.084 N/A ARG 515.A N ASP 511.A O no hydrogen 3.226 N/A ARG 515.A N ILE 512.A O no hydrogen 3.136 N/A SER 517.A N SER 514.A O no hydrogen 3.436 N/A ASP 524.A N ASP 524.A OD1 no hydrogen 2.491 N/A HIS 528.A N THR 525.A O no hydrogen 3.411 N/A GLN 529.A N TRP 526.A O no hydrogen 3.186 N/A GLU 530.A N TRP 526.A O no hydrogen 2.674 N/A THR 532.A N GLN 430.A OE1 no hydrogen 2.435 N/A THR 532.A OG1 GLN 430.A OE1 no hydrogen 2.941 N/A HIS 533.A N ASP 536.A OD2 no hydrogen 2.839 N/A ASP 536.A N HIS 533.A O no hydrogen 3.040 N/A ARG 537.A N PRO 534.A O no hydrogen 3.126 N/A LYS 541.A N ARG 537.A O no hydrogen 3.024 N/A LYS 541.A NZ ASP 536.A O no hydrogen 3.050 N/A LYS 541.A NZ ASN 538.A OD1 no hydrogen 3.486 N/A LEU 542.A N ASN 538.A O no hydrogen 2.947 N/A GLN 543.A N VAL 539.A O no hydrogen 2.895 N/A VAL 544.A N GLU 540.A O no hydrogen 2.905 N/A LEU 545.A N LYS 541.A O no hydrogen 3.019 N/A LEU 546.A N LEU 542.A O no hydrogen 2.892 N/A ASN 547.A N GLN 543.A O no hydrogen 2.877 N/A CYS 548.A N VAL 544.A O no hydrogen 2.996 N/A CYS 548.A SG VAL 544.A O no hydrogen 3.456 N/A ILE 549.A N LEU 545.A O no hydrogen 2.962 N/A THR 550.A N LEU 546.A O no hydrogen 2.862 N/A THR 550.A OG1 LEU 546.A O no hydrogen 2.627 N/A GLU 551.A N ASN 547.A O no hydrogen 2.940 N/A ILE 552.A N CYS 548.A O no hydrogen 2.993 N/A TYR 553.A N ILE 549.A O no hydrogen 2.903 N/A TYR 554.A N THR 550.A O no hydrogen 2.924 N/A GLN 555.A N GLU 551.A O no hydrogen 2.968 N/A GLN 555.A NE2 GLN 555.A O no hydrogen 2.932 N/A GLN 555.A NE2 ASP 559.A OD1 no hydrogen 3.275 N/A GLN 555.A NE2 ASP 559.A OD2 no hydrogen 3.524 N/A PHE 556.A N ILE 552.A O no hydrogen 2.908 N/A LYS 557.A N TYR 553.A O no hydrogen 2.922 N/A LYS 558.A N TYR 554.A O no hydrogen 2.965 N/A ASP 559.A N GLN 555.A O no hydrogen 2.897 N/A LYS 560.A N PHE 556.A O no hydrogen 2.890 N/A ALA 561.A N LYS 557.A O no hydrogen 2.978 N/A GLU 562.A N LYS 558.A O no hydrogen 3.259 N/A GLU 562.A N ASP 559.A O no hydrogen 3.117 N/A ARG 563.A N LYS 560.A O no hydrogen 2.890 N/A ARG 564.A N GLU 562.A O no hydrogen 2.627 N/A ARG 564.A NH1 ARG 563.A O no hydrogen 2.215 N/A ALA 566.A N GLU 569.A OE1 no hydrogen 3.252 N/A GLU 570.A N ALA 566.A O no hydrogen 2.841 N/A GLN 571.A N TYR 567.A O no hydrogen 2.993 N/A ILE 572.A N ASN 568.A O no hydrogen 2.897 N/A HIS 573.A N GLU 569.A O no hydrogen 2.901 N/A HIS 573.A NE2 ASP 405.A OD2 no hydrogen 2.828 N/A LYS 574.A N GLU 570.A O no hydrogen 2.982 N/A LYS 574.A NZ GLU 570.A OE2 no hydrogen 2.655 N/A LYS 574.A NZ GLN 571.A OE1 no hydrogen 3.435 N/A PHE 575.A N GLN 571.A O no hydrogen 2.955 N/A ASP 576.A N ILE 572.A O no hydrogen 2.903 N/A LYS 577.A N HIS 573.A O no hydrogen 2.925 N/A LYS 577.A NZ HIS 397.A O no hydrogen 2.676 N/A LYS 577.A NZ ARG 399.A O no hydrogen 3.350 N/A LYS 577.A NZ ASP 405.A OD1 no hydrogen 2.895 N/A LYS 577.A NZ ASP 405.A OD2 no hydrogen 3.561 N/A GLN 578.A N LYS 574.A O no hydrogen 3.033 N/A LYS 579.A N PHE 575.A O no hydrogen 2.937 N/A LEU 580.A N ASP 576.A O no hydrogen 2.891 N/A TYR 581.A N LYS 577.A O no hydrogen 2.982 N/A TYR 582.A N GLN 578.A O no hydrogen 2.972 N/A HIS 583.A N LYS 579.A O no hydrogen 2.915 N/A ALA 584.A N LEU 580.A O no hydrogen 2.943 N/A THR 585.A N TYR 581.A O no hydrogen 2.918 N/A THR 585.A OG1 TYR 581.A O no hydrogen 2.853 N/A LYS 586.A N TYR 582.A O no hydrogen 2.933 N/A ALA 587.A N HIS 583.A O no hydrogen 2.928 N/A MET 588.A N ALA 584.A O no hydrogen 2.927 N/A SER 589.A N THR 585.A O no hydrogen 2.914 N/A HIS 590.A N LYS 586.A O no hydrogen 2.921 N/A PHE 591.A N ALA 587.A O no hydrogen 2.908 N/A SER 592.A N MET 588.A O no hydrogen 2.930 N/A SER 592.A OG MET 588.A O no hydrogen 3.410 N/A GLU 593.A N SER 589.A O no hydrogen 2.912 N/A GLU 594.A N HIS 590.A O no hydrogen 3.180 N/A CYS 595.A SG HIS 590.A O no hydrogen 4.028 N/A VAL 596.A N PHE 591.A O no hydrogen 3.080 N/A LYS 598.A NZ GLU 594.A OE1 no hydrogen 3.403 N/A LYS 598.A NZ GLU 594.A OE2 no hydrogen 2.805 N/A GLU 600.A N VAL 596.A O no hydrogen 2.919 N/A ALA 601.A N ARG 597.A O no hydrogen 2.956 N/A PHE 602.A N LYS 598.A O no hydrogen 2.922 N/A LYS 603.A N TYR 599.A O no hydrogen 2.896 N/A LYS 603.A NZ THR 383.A OG1 no hydrogen 3.305 N/A ASP 604.A N GLU 600.A O no hydrogen 2.926 N/A LYS 605.A N ALA 601.A O no hydrogen 2.978 N/A LYS 605.A NZ GLU 608.A OE1 no hydrogen 3.353 N/A LYS 605.A NZ GLU 608.A OE2 no hydrogen 3.553 N/A SER 606.A N PHE 602.A O no hydrogen 2.899 N/A SER 606.A OG LYS 603.A O no hydrogen 2.469 N/A GLU 607.A N LYS 603.A O no hydrogen 2.973 N/A GLU 608.A N ASP 604.A O no hydrogen 2.957 N/A TRP 609.A N LYS 605.A O no hydrogen 2.917 N/A MET 610.A N SER 606.A O no hydrogen 2.892 N/A ARG 611.A N GLU 607.A O no hydrogen 3.002 N/A MET 613.A N TRP 609.A O no hydrogen 2.933 N/A LEU 614.A N MET 610.A O no hydrogen 2.936 N/A HIS 615.A N ARG 611.A O no hydrogen 2.936 N/A LEU 616.A N LYS 612.A O no hydrogen 2.931 N/A ARG 617.A N MET 613.A O no hydrogen 2.903 N/A LYS 618.A N LEU 614.A O no hydrogen 2.951 N/A LYS 618.A NZ ARG 378.A O no hydrogen 3.518 N/A GLN 619.A N HIS 615.A O no hydrogen 2.981 N/A LEU 620.A N LEU 616.A O no hydrogen 2.902 N/A LEU 621.A N ARG 617.A O no hydrogen 2.939 N/A SER 622.A N LYS 618.A O no hydrogen 2.951 N/A LEU 623.A N GLN 619.A O no hydrogen 2.952 N/A THR 624.A N LEU 620.A O no hydrogen 2.936 N/A THR 624.A OG1 THR 451.A OG1 no hydrogen 2.662 N/A THR 624.A OG1 LEU 620.A O no hydrogen 3.209 N/A ASN 625.A N LEU 621.A O no hydrogen 2.918 N/A GLN 626.A N SER 622.A O no hydrogen 2.943 N/A CYS 627.A N LEU 623.A O no hydrogen 2.935 N/A CYS 627.A SG LEU 623.A O no hydrogen 3.472 N/A PHE 628.A N THR 624.A O no hydrogen 2.926 N/A ASP 629.A N ASN 625.A O no hydrogen 2.935 N/A ILE 630.A N GLN 626.A O no hydrogen 2.925 N/A GLU 631.A N CYS 627.A O no hydrogen 2.929 N/A GLU 632.A N PHE 628.A O no hydrogen 2.921 N/A GLU 633.A N ASP 629.A O no hydrogen 2.934 N/A VAL 634.A N ILE 630.A O no hydrogen 2.895 N/A SER 635.A N GLU 631.A O no hydrogen 3.177 N/A SER 635.A OG GLU 632.A O no hydrogen 2.777 N/A LYS 636.A N GLU 633.A O no hydrogen 3.325 N/A LYS 636.A NZ GLU 633.A OE1 no hydrogen 3.088 N/A LYS 636.A NZ GLU 633.A OE2 no hydrogen 3.517 N/A TYR 637.A N VAL 634.A O no hydrogen 3.193 N/A TYR 637.A OH GLU 633.A OE2 no hydrogen 2.968 N/A GLN 638.A NE2 ASP 639.A OD2 no hydrogen 2.343 N/A