Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h6j_5C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.410 N/A GLN 3.A NE2 GLU 436.A O no hydrogen 3.183 N/A THR 8.A OG1 TYR 10.A O no hydrogen 2.219 N/A VAL 9.A N THR 49.A O no hydrogen 3.105 N/A LEU 15.A N GLU 11.A O no hydrogen 2.955 N/A ALA 16.A N MET 12.A O no hydrogen 2.867 N/A ASP 17.A N ASP 13.A O no hydrogen 2.934 N/A LEU 18.A N PHE 14.A O no hydrogen 2.865 N/A MET 19.A N LEU 15.A O no hydrogen 2.977 N/A ASP 20.A N ASP 17.A O no hydrogen 3.329 N/A ASN 21.A N LEU 18.A O no hydrogen 2.921 N/A GLU 23.A N ASN 21.A OD1 no hydrogen 2.927 N/A LEU 24.A N ASN 21.A O no hydrogen 3.453 N/A ARG 26.A NE ILE 334.A O no hydrogen 3.212 N/A ARG 26.A NH1 GLU 23.A O no hydrogen 3.392 N/A ARG 26.A NH1 ILE 25.A O no hydrogen 2.646 N/A ARG 26.A NH2 VAL 331.A O no hydrogen 3.161 N/A ASN 27.A ND2 ASP 119.A OD2 no hydrogen 3.267 N/A VAL 28.A N ASN 97.A O no hydrogen 2.900 N/A THR 29.A N GLY 120.A O no hydrogen 2.896 N/A THR 29.A OG1 SER 118.A OG no hydrogen 1.985 N/A LEU 30.A N MET 99.A O no hydrogen 2.897 N/A CYS 31.A N VAL 122.A O no hydrogen 2.987 N/A CYS 31.A SG VAL 122.A O no hydrogen 3.863 N/A THR 39.A OG1 THR 64.A OG1 no hydrogen 3.134 N/A THR 39.A OG1 ASP 65.A OD1 no hydrogen 3.516 N/A THR 39.A OG1 ASP 100.A OD2 no hydrogen 3.209 N/A PHE 41.A N GLY 37.A O no hydrogen 2.956 N/A VAL 42.A N LYS 38.A O no hydrogen 2.971 N/A ASP 43.A N THR 39.A O no hydrogen 2.884 N/A CYS 44.A N CYS 40.A O no hydrogen 2.883 N/A CYS 44.A SG CYS 40.A O no hydrogen 3.129 N/A CYS 44.A SG SER 208.A O no hydrogen 3.387 N/A LEU 45.A N PHE 41.A O no hydrogen 2.999 N/A ILE 46.A N VAL 42.A O no hydrogen 2.929 N/A GLU 47.A N ASP 43.A O no hydrogen 2.825 N/A GLN 48.A N CYS 44.A O no hydrogen 2.907 N/A THR 49.A N LEU 45.A O no hydrogen 3.031 N/A THR 49.A OG1 ILE 46.A O no hydrogen 3.520 N/A THR 49.A OG1 HIS 50.A ND1 no hydrogen 2.724 N/A HIS 50.A N ILE 46.A O no hydrogen 2.830 N/A HIS 50.A NE2 TYR 433.A OH no hydrogen 2.381 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.333 N/A ARG 54.A NH1 GLU 47.A O no hydrogen 3.160 N/A ARG 54.A NH1 HIS 50.A O no hydrogen 3.470 N/A ARG 54.A NH1 ILE 53.A O no hydrogen 2.410 N/A LYS 55.A N GLU 47.A OE1 no hydrogen 3.221 N/A LYS 55.A NZ ARG 56.A O no hydrogen 2.429 N/A LYS 55.A NZ TYR 57.A O no hydrogen 3.328 N/A LYS 55.A NZ GLN 59.A O no hydrogen 2.856 N/A ASP 60.A N ASP 60.A OD1 no hydrogen 2.531 N/A CYS 62.A SG ASP 65.A OD2 no hydrogen 3.676 N/A THR 64.A OG1 THR 39.A OG1 no hydrogen 3.134 N/A THR 64.A OG1 ASP 65.A OD1 no hydrogen 3.234 N/A THR 64.A OG1 ASP 100.A OD2 no hydrogen 3.232 N/A LEU 67.A N GLU 70.A OE1 no hydrogen 3.188 N/A GLN 71.A N LEU 67.A O no hydrogen 2.897 N/A GLN 71.A NE2 GLU 72.A OE1 no hydrogen 3.454 N/A GLU 72.A N PHE 68.A O no hydrogen 2.950 N/A ARG 73.A N THR 69.A O no hydrogen 2.876 N/A GLY 74.A N GLU 70.A O no hydrogen 2.896 N/A ILE 77.A N GLU 70.A OE2 no hydrogen 2.809 N/A LYS 78.A N GLU 70.A OE2 no hydrogen 3.171 N/A LYS 78.A NZ GLU 110.A OE2 no hydrogen 2.941 N/A THR 80.A N ASP 100.A O no hydrogen 2.933 N/A VAL 82.A N ILE 98.A O no hydrogen 2.867 N/A THR 83.A OG1 ASN 97.A OD1 no hydrogen 3.195 N/A VAL 84.A N PHE 96.A O no hydrogen 2.970 N/A LEU 86.A N TYR 94.A O no hydrogen 2.994 N/A ASP 88.A N LYS 92.A O no hydrogen 2.464 N/A LYS 90.A NZ TYR 232.A OH no hydrogen 3.151 N/A GLY 91.A N ASP 88.A O no hydrogen 2.675 N/A TYR 94.A N LEU 86.A O no hydrogen 3.020 N/A LEU 95.A N LEU 24.A O no hydrogen 2.896 N/A PHE 96.A N VAL 84.A O no hydrogen 2.870 N/A ASN 97.A N ARG 26.A O no hydrogen 2.900 N/A ASN 97.A ND2 ASN 27.A OD1 no hydrogen 2.937 N/A ILE 98.A N VAL 82.A O no hydrogen 2.876 N/A MET 99.A N VAL 28.A O no hydrogen 2.909 N/A ASP 100.A N THR 80.A O no hydrogen 2.919 N/A THR 101.A N LEU 30.A O no hydrogen 2.996 N/A THR 101.A OG1 LEU 30.A O no hydrogen 2.616 N/A ASN 106.A N HIS 104.A ND1 no hydrogen 3.392 N/A PHE 107.A N HIS 104.A O no hydrogen 3.008 N/A GLU 110.A N PHE 107.A O no hydrogen 3.258 N/A GLU 110.A N ASP 109.A OD1 no hydrogen 2.520 N/A THR 112.A N SER 108.A O no hydrogen 2.934 N/A THR 112.A OG1 ASP 109.A O no hydrogen 2.712 N/A ALA 113.A N ASP 109.A O no hydrogen 2.920 N/A GLY 114.A N GLU 110.A O no hydrogen 2.942 N/A LEU 115.A N VAL 111.A O no hydrogen 2.868 N/A ARG 116.A N THR 112.A O no hydrogen 2.968 N/A ARG 116.A NH1 ARG 474.A O no hydrogen 2.549 N/A ILE 117.A N GLY 114.A O no hydrogen 3.279 N/A SER 118.A N GLY 114.A O no hydrogen 2.934 N/A SER 118.A N LEU 115.A O no hydrogen 3.075 N/A SER 118.A OG THR 29.A OG1 no hydrogen 1.985 N/A SER 118.A OG GLY 114.A O no hydrogen 3.022 N/A ASP 119.A N ASN 27.A O no hydrogen 3.073 N/A GLY 120.A N ASN 27.A O no hydrogen 2.937 N/A VAL 121.A N ALA 148.A O no hydrogen 2.895 N/A VAL 122.A N THR 29.A O no hydrogen 2.895 N/A LEU 123.A N THR 150.A O no hydrogen 2.896 N/A PHE 124.A N CYS 31.A O no hydrogen 2.910 N/A ILE 125.A N CYS 152.A O no hydrogen 2.940 N/A ASP 126.A N HIS 36.A ND1 no hydrogen 3.245 N/A ALA 128.A N ASP 126.A OD1 no hydrogen 2.619 N/A GLY 130.A N ASP 126.A O no hydrogen 3.097 N/A MET 132.A N THR 135.A OG1 no hydrogen 2.576 N/A ASN 134.A N HIS 33.A ND1 no hydrogen 3.373 N/A ASN 134.A ND2 GLY 32.A O no hydrogen 3.498 N/A THR 135.A OG1 MET 132.A O no hydrogen 2.429 N/A GLU 136.A N MET 132.A O no hydrogen 2.961 N/A ARG 137.A N LEU 133.A O no hydrogen 2.979 N/A ARG 137.A NH2 ASN 479.A O no hydrogen 3.399 N/A LEU 138.A N ASN 134.A O no hydrogen 2.826 N/A ILE 139.A N THR 135.A O no hydrogen 2.911 N/A LYS 140.A N GLU 136.A O no hydrogen 3.012 N/A HIS 141.A N ARG 137.A O no hydrogen 2.888 N/A ALA 142.A N LEU 138.A O no hydrogen 2.861 N/A VAL 143.A N ILE 139.A O no hydrogen 2.989 N/A GLN 144.A N LYS 140.A O no hydrogen 2.954 N/A GLU 145.A N HIS 141.A O no hydrogen 2.857 N/A LEU 147.A N ALA 142.A O no hydrogen 3.299 N/A THR 150.A N VAL 121.A O no hydrogen 2.921 N/A VAL 151.A N ASN 202.A O no hydrogen 2.932 N/A CYS 152.A N LEU 123.A O no hydrogen 2.900 N/A CYS 152.A SG CYS 204.A O no hydrogen 4.047 N/A CYS 152.A SG SER 206.A OG no hydrogen 2.531 N/A ILE 153.A N CYS 204.A O no hydrogen 2.880 N/A ASN 154.A N ILE 125.A O no hydrogen 2.550 N/A ASN 154.A ND2 HIS 36.A O no hydrogen 3.310 N/A ASN 154.A ND2 SER 208.A OG no hydrogen 3.257 N/A LYS 155.A N ASN 154.A OD1 no hydrogen 2.811 N/A LYS 155.A NZ HIS 35.A O no hydrogen 2.680 N/A LYS 155.A NZ ASP 126.A OD2 no hydrogen 3.431 N/A ILE 156.A N SER 206.A O no hydrogen 3.398 N/A ARG 158.A N LYS 155.A O no hydrogen 3.166 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 3.326 N/A ARG 158.A NH1 ASP 126.A OD2 no hydrogen 3.439 N/A ARG 158.A NH1 GLU 129.A OE2 no hydrogen 3.429 N/A ARG 158.A NH2 GLU 162.A OE1 no hydrogen 3.301 N/A ARG 158.A NH2 GLU 162.A OE2 no hydrogen 3.436 N/A ILE 160.A N ASP 157.A O no hydrogen 3.177 N/A LEU 161.A N ASP 157.A O no hydrogen 2.905 N/A GLU 162.A N ARG 158.A O no hydrogen 3.310 N/A LEU 163.A N ARG 158.A O no hydrogen 2.877 N/A LEU 165.A N LEU 159.A O no hydrogen 2.956 N/A ALA 170.A N PRO 166.A O no hydrogen 2.926 N/A TYR 171.A N PRO 167.A O no hydrogen 2.926 N/A TYR 172.A N THR 168.A O no hydrogen 2.921 N/A LYS 173.A N ASP 169.A O no hydrogen 2.903 N/A LYS 173.A NZ ALA 127.A O no hydrogen 3.304 N/A LYS 173.A NZ ALA 128.A O no hydrogen 2.691 N/A LEU 174.A N ALA 170.A O no hydrogen 2.983 N/A ARG 175.A N TYR 171.A O no hydrogen 2.912 N/A HIS 176.A N TYR 172.A O no hydrogen 2.889 N/A ILE 177.A N LYS 173.A O no hydrogen 2.972 N/A VAL 178.A N LEU 174.A O no hydrogen 2.997 N/A ASP 179.A N ARG 175.A O no hydrogen 2.902 N/A GLU 180.A N HIS 176.A O no hydrogen 2.922 N/A VAL 181.A N ILE 177.A O no hydrogen 3.009 N/A ASN 182.A N VAL 178.A O no hydrogen 2.938 N/A ASN 182.A ND2 LEU 196.A O no hydrogen 2.707 N/A GLY 183.A N ASP 179.A O no hydrogen 2.907 N/A LEU 184.A N GLU 180.A O no hydrogen 2.990 N/A ILE 185.A N VAL 181.A O no hydrogen 2.955 N/A SER 186.A N ASN 182.A O no hydrogen 2.905 N/A SER 186.A OG GLY 183.A O no hydrogen 3.110 N/A MET 187.A N GLY 183.A O no hydrogen 2.925 N/A TYR 188.A N LEU 184.A O no hydrogen 2.986 N/A SER 189.A OG ASP 191.A O no hydrogen 3.552 N/A LEU 196.A N ASN 182.A OD1 no hydrogen 2.791 N/A LEU 200.A N SER 197.A O no hydrogen 3.013 N/A GLY 201.A N SER 197.A O no hydrogen 3.366 N/A ASN 202.A ND2 ILE 195.A O no hydrogen 2.797 N/A CYS 204.A N VAL 151.A O no hydrogen 2.938 N/A CYS 204.A SG SER 206.A OG no hydrogen 3.300 N/A CYS 204.A SG PHE 214.A O no hydrogen 3.499 N/A PHE 205.A N PHE 214.A O no hydrogen 2.954 N/A SER 206.A N ILE 153.A O no hydrogen 2.908 N/A SER 207.A N ILE 212.A O no hydrogen 2.841 N/A SER 207.A OG ASP 157.A OD2 no hydrogen 2.051 N/A SER 208.A N ASN 154.A OD1 no hydrogen 3.106 N/A SER 208.A OG ASN 154.A OD1 no hydrogen 3.441 N/A SER 211.A N SER 208.A O no hydrogen 3.162 N/A ILE 212.A N SER 207.A O no hydrogen 2.916 N/A PHE 214.A N PHE 205.A O no hydrogen 2.923 N/A PHE 219.A N THR 215.A O no hydrogen 2.945 N/A ALA 220.A N LEU 216.A O no hydrogen 2.911 N/A LYS 221.A N GLY 217.A O no hydrogen 2.849 N/A ILE 222.A N SER 218.A O no hydrogen 2.924 N/A TYR 223.A N PHE 219.A O no hydrogen 2.967 N/A TYR 223.A OH PHE 268.A O no hydrogen 3.114 N/A ALA 224.A N ALA 220.A O no hydrogen 2.853 N/A ASP 225.A N LYS 221.A O no hydrogen 2.832 N/A THR 226.A N ILE 222.A O no hydrogen 2.979 N/A THR 226.A OG1 ILE 222.A O no hydrogen 3.248 N/A PHE 227.A N TYR 223.A O no hydrogen 2.893 N/A PHE 235.A N ASN 231.A O no hydrogen 2.962 N/A ALA 236.A N TYR 232.A O no hydrogen 2.861 N/A LYS 237.A N GLN 233.A O no hydrogen 2.907 N/A LYS 237.A NZ GLU 234.A OE2 no hydrogen 3.463 N/A ARG 238.A N GLU 234.A O no hydrogen 2.987 N/A ARG 238.A N PHE 235.A O no hydrogen 3.122 N/A LEU 239.A N PHE 235.A O no hydrogen 2.937 N/A LEU 239.A N ALA 236.A O no hydrogen 3.351 N/A TYR 244.A N THR 253.A O no hydrogen 2.884 N/A ASN 246.A N LYS 251.A O no hydrogen 2.856 N/A LYS 251.A N ASN 246.A O no hydrogen 2.970 N/A THR 253.A N TYR 244.A O no hydrogen 2.926 N/A THR 253.A OG1 LYS 255.A O no hydrogen 2.403 N/A THR 258.A OG1 PRO 257.A O no hydrogen 2.370 N/A THR 258.A OG1 SER 261.A OG no hydrogen 3.276 N/A SER 259.A OG SER 259.A O no hydrogen 2.260 N/A SER 260.A N THR 258.A OG1 no hydrogen 3.270 N/A SER 260.A OG THR 258.A O no hydrogen 3.509 N/A SER 261.A OG PRO 257.A O no hydrogen 2.921 N/A SER 261.A OG THR 258.A OG1 no hydrogen 3.276 N/A GLN 262.A NE2 GLU 271.A OE1 no hydrogen 2.730 N/A SER 264.A N ILE 243.A O no hydrogen 2.806 N/A GLU 267.A N ARG 263.A O no hydrogen 2.911 N/A PHE 268.A N SER 264.A O no hydrogen 2.888 N/A ILE 269.A N PHE 265.A O no hydrogen 2.873 N/A LEU 270.A N PHE 265.A O no hydrogen 3.198 N/A GLU 271.A N VAL 266.A O no hydrogen 2.987 N/A LEU 273.A N ILE 269.A O no hydrogen 3.407 N/A TYR 274.A N LEU 270.A O no hydrogen 2.912 N/A TYR 274.A OH LEU 165.A O no hydrogen 2.199 N/A LYS 275.A N GLU 271.A O no hydrogen 2.906 N/A LYS 275.A NZ GLU 271.A OE2 no hydrogen 3.393 N/A ILE 276.A N PRO 272.A O no hydrogen 2.867 N/A LEU 277.A N LEU 273.A O no hydrogen 2.979 N/A ALA 278.A N TYR 274.A O no hydrogen 2.902 N/A GLN 279.A N LYS 275.A O no hydrogen 2.878 N/A GLN 279.A NE2 SER 287.A OG no hydrogen 3.067 N/A VAL 280.A N ILE 276.A O no hydrogen 2.954 N/A VAL 281.A N LEU 277.A O no hydrogen 2.966 N/A GLY 282.A N ALA 278.A O no hydrogen 2.875 N/A ASP 283.A N GLN 279.A O no hydrogen 3.171 N/A THR 286.A N ASP 283.A O no hydrogen 3.390 N/A THR 286.A OG1 ASP 283.A OD2 no hydrogen 3.282 N/A SER 287.A N ASP 283.A O no hydrogen 3.406 N/A LEU 288.A N ASP 283.A O no hydrogen 3.105 N/A THR 291.A N SER 287.A O no hydrogen 2.959 N/A THR 291.A OG1 SER 287.A O no hydrogen 3.557 N/A LEU 292.A N LEU 288.A O no hydrogen 2.886 N/A ASP 293.A N PRO 289.A O no hydrogen 2.904 N/A GLU 294.A N ARG 290.A O no hydrogen 2.909 N/A LEU 295.A N THR 291.A O no hydrogen 2.927 N/A GLY 296.A N ASP 293.A O no hydrogen 3.210 N/A THR 300.A N GLU 303.A OE2 no hydrogen 3.376 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.427 N/A LEU 304.A N THR 300.A O no hydrogen 2.910 N/A LYS 305.A N LYS 301.A O no hydrogen 2.911 N/A LEU 306.A N GLU 303.A O no hydrogen 3.301 N/A ARG 309.A NH1 TYR 210.A OH no hydrogen 3.447 N/A LEU 311.A N ASN 307.A O no hydrogen 2.908 N/A LEU 312.A N ILE 308.A O no hydrogen 2.845 N/A ARG 313.A N ARG 309.A O no hydrogen 2.991 N/A LEU 314.A N PRO 310.A O no hydrogen 2.886 N/A VAL 315.A N LEU 311.A O no hydrogen 2.877 N/A CYS 316.A N LEU 312.A O no hydrogen 2.932 N/A CYS 316.A SG LEU 312.A O no hydrogen 3.152 N/A LYS 317.A N ARG 313.A O no hydrogen 2.910 N/A LYS 318.A N LEU 314.A O no hydrogen 2.917 N/A PHE 319.A N VAL 315.A O no hydrogen 2.920 N/A PHE 320.A N CYS 316.A O no hydrogen 2.930 N/A GLY 321.A N LYS 317.A O no hydrogen 2.894 N/A ASP 328.A N THR 324.A O no hydrogen 2.909 N/A MET 329.A N GLY 325.A O no hydrogen 2.907 N/A CYS 330.A N PHE 326.A O no hydrogen 2.953 N/A CYS 330.A SG PHE 326.A O no hydrogen 3.380 N/A VAL 331.A N VAL 327.A O no hydrogen 2.877 N/A GLN 332.A N ASP 328.A O no hydrogen 2.932 N/A HIS 333.A N MET 329.A O no hydrogen 2.964 N/A HIS 333.A NE2 LEU 200.A O no hydrogen 3.288 N/A SER 336.A OG SER 22.A O no hydrogen 3.281 N/A SER 336.A OG GLU 23.A O no hydrogen 3.502 N/A LYS 338.A NZ ASP 363.A O no hydrogen 2.576 N/A LYS 344.A N GLY 340.A O no hydrogen 3.449 N/A LYS 344.A NZ LEU 115.A O no hydrogen 3.555 N/A LYS 344.A NZ ARG 116.A O no hydrogen 3.199 N/A LYS 344.A NZ SER 118.A O no hydrogen 2.802 N/A ILE 345.A N ALA 341.A O no hydrogen 2.890 N/A GLU 346.A N LYS 342.A O no hydrogen 2.922 N/A HIS 347.A N PRO 343.A O no hydrogen 2.906 N/A THR 348.A N LYS 344.A O no hydrogen 2.918 N/A THR 348.A OG1 LYS 344.A O no hydrogen 2.876 N/A TYR 349.A N ILE 345.A O no hydrogen 3.084 N/A SER 355.A N GLY 352.A O no hydrogen 3.384 N/A SER 355.A OG GLY 351.A O no hydrogen 2.245 N/A SER 355.A OG GLY 352.A O no hydrogen 3.040 N/A GLU 359.A N SER 355.A O no hydrogen 2.927 N/A ALA 360.A N ASP 356.A O no hydrogen 2.923 N/A MET 361.A N LEU 357.A O no hydrogen 2.876 N/A SER 362.A N GLY 358.A O no hydrogen 2.879 N/A SER 362.A OG GLU 359.A O no hydrogen 3.032 N/A ASP 363.A N GLU 359.A O no hydrogen 2.959 N/A CYS 372.A SG ARG 391.A O no hydrogen 3.032 N/A HIS 373.A N ARG 391.A O no hydrogen 2.803 N/A THR 374.A N ALA 459.A O no hydrogen 2.913 N/A THR 374.A OG1 ALA 459.A O no hydrogen 3.508 N/A THR 375.A N PHE 389.A O no hydrogen 3.249 N/A LYS 376.A N PHE 389.A O no hydrogen 3.010 N/A LYS 376.A NZ GLU 110.A OE1 no hydrogen 3.008 N/A TYR 378.A N HIS 387.A O no hydrogen 2.914 N/A TYR 378.A OH SER 79.A O no hydrogen 3.285 N/A SER 379.A OG THR 380.A O no hydrogen 2.745 N/A THR 380.A N GLN 385.A O no hydrogen 3.357 N/A THR 380.A OG1 ASP 382.A OD1 no hydrogen 2.365 N/A THR 380.A OG1 GLN 385.A O no hydrogen 3.424 N/A ASP 382.A N ASP 381.A OD1 no hydrogen 2.990 N/A GLY 383.A N THR 380.A O no hydrogen 2.761 N/A HIS 387.A N TYR 378.A O no hydrogen 2.877 N/A ALA 388.A N ILE 448.A O no hydrogen 2.925 N/A PHE 389.A N LYS 376.A O no hydrogen 2.860 N/A GLY 390.A N VAL 446.A O no hydrogen 2.984 N/A ARG 391.A N HIS 373.A O no hydrogen 2.830 N/A ARG 391.A NH1 ILE 117.A O no hydrogen 3.366 N/A ARG 391.A NH1 ASP 119.A OD2 no hydrogen 2.520 N/A VAL 392.A N ASN 444.A O no hydrogen 3.025 N/A SER 394.A OG LEU 393.A O no hydrogen 2.545 N/A GLY 395.A N ASP 365.A O no hydrogen 3.386 N/A THR 396.A OG1 PRO 366.A O no hydrogen 2.898 N/A ILE 397.A N VAL 440.A O no hydrogen 2.884 N/A ALA 399.A N ASN 438.A O no hydrogen 3.207 N/A GLY 400.A N VAL 423.A O no hydrogen 2.813 N/A GLN 401.A N HIS 398.A O no hydrogen 3.286 N/A GLN 401.A NE2 PRO 402.A O no hydrogen 3.161 N/A VAL 403.A N CYS 421.A O no hydrogen 2.885 N/A LYS 404.A N THR 462.A O no hydrogen 2.879 N/A VAL 405.A N GLN 419.A O no hydrogen 2.866 N/A LEU 406.A N THR 460.A O no hydrogen 2.876 N/A GLY 407.A N ASP 417.A O no hydrogen 2.940 N/A ASN 409.A N ASP 417.A OD2 no hydrogen 2.791 N/A TYR 410.A N GLY 407.A O no hydrogen 3.419 N/A THR 411.A N ASP 414.A O no hydrogen 3.461 N/A GLU 413.A N THR 411.A OG1 no hydrogen 3.203 N/A ASP 414.A N THR 411.A OG1 no hydrogen 3.203 N/A GLN 419.A N VAL 405.A O no hydrogen 2.920 N/A CYS 421.A N VAL 403.A O no hydrogen 2.899 N/A GLY 424.A N GLU 449.A O no hydrogen 2.678 N/A ARG 425.A NE GLU 449.A OE1 no hydrogen 2.838 N/A ARG 425.A NH2 GLU 449.A OE1 no hydrogen 3.277 N/A ARG 425.A NH2 GLU 449.A OE2 no hydrogen 3.442 N/A TRP 427.A N LEU 447.A O no hydrogen 3.393 N/A ILE 428.A N ILE 435.A O no hydrogen 2.685 N/A SER 429.A OG VAL 430.A O no hydrogen 3.437 N/A SER 429.A OG HIS 434.A ND1 no hydrogen 2.859 N/A TYR 433.A N VAL 430.A O no hydrogen 3.183 N/A TYR 433.A OH HIS 50.A NE2 no hydrogen 2.381 N/A ILE 435.A N ILE 428.A O no hydrogen 3.212 N/A VAL 437.A N LEU 426.A O no hydrogen 2.948 N/A ARG 439.A NH2 ASP 20.A OD1 no hydrogen 3.420 N/A ARG 439.A NH2 ASP 20.A OD2 no hydrogen 3.362 N/A VAL 440.A N ILE 397.A O no hydrogen 2.918 N/A GLY 443.A N VAL 392.A O no hydrogen 2.478 N/A VAL 446.A N GLY 390.A O no hydrogen 2.879 N/A LEU 447.A N TRP 427.A O no hydrogen 3.359 N/A ILE 448.A N ALA 388.A O no hydrogen 2.852 N/A GLU 449.A N ARG 425.A O no hydrogen 3.355 N/A LYS 457.A NZ PRO 511.A O no hydrogen 2.592 N/A LYS 457.A NZ LEU 513.A O no hydrogen 2.926 N/A ALA 459.A N THR 374.A O no hydrogen 2.974 N/A THR 460.A N LEU 406.A O no hydrogen 3.015 N/A THR 460.A OG1 CYS 372.A O no hydrogen 3.095 N/A ILE 461.A N CYS 372.A O no hydrogen 2.859 N/A THR 462.A N LYS 404.A O no hydrogen 2.912 N/A THR 462.A OG1 LEU 370.A O no hydrogen 3.201 N/A GLU 463.A N THR 462.A OG1 no hydrogen 2.427 N/A GLU 469.A N GLU 469.A OE2 no hydrogen 2.268 N/A GLN 471.A N TYR 349.A OH no hydrogen 3.394 N/A ARG 474.A N THR 348.A O no hydrogen 3.090 N/A THR 481.A N THR 480.A OG1 no hydrogen 2.572 N/A SER 482.A OG SER 512.A O no hydrogen 3.304 N/A LYS 485.A N VAL 555.A O no hydrogen 2.541 N/A ILE 486.A N ILE 525.A O no hydrogen 2.966 N/A VAL 488.A N HIS 523.A O no hydrogen 2.903 N/A GLU 489.A N LYS 550.A O no hydrogen 2.980 N/A VAL 491.A N ASP 548.A O no hydrogen 2.962 N/A ASN 492.A ND2 GLU 495.A OE1 no hydrogen 3.226 N/A GLU 495.A N ASN 492.A O no hydrogen 2.935 N/A LEU 496.A N PRO 493.A O no hydrogen 3.293 N/A MET 499.A N GLU 495.A O no hydrogen 3.482 N/A LEU 500.A N LEU 496.A O no hydrogen 2.932 N/A ASP 501.A N PRO 497.A O no hydrogen 2.924 N/A GLY 502.A N LYS 498.A O no hydrogen 2.943 N/A LEU 503.A N MET 499.A O no hydrogen 2.865 N/A ARG 504.A N LEU 500.A O no hydrogen 2.952 N/A LYS 505.A N ASP 501.A O no hydrogen 2.949 N/A LYS 505.A NZ GLY 383.A O no hydrogen 3.256 N/A LYS 505.A NZ ASP 501.A OD2 no hydrogen 3.048 N/A VAL 506.A N GLY 502.A O no hydrogen 2.915 N/A ASN 507.A N LEU 503.A O no hydrogen 2.910 N/A LYS 508.A N ARG 504.A O no hydrogen 2.961 N/A LYS 508.A NZ ASP 452.A O no hydrogen 3.124 N/A SER 509.A N LYS 505.A O no hydrogen 2.900 N/A SER 509.A OG LYS 505.A O no hydrogen 3.505 N/A SER 509.A OG TYR 544.A OH no hydrogen 2.859 N/A TYR 510.A N VAL 506.A O no hydrogen 2.928 N/A TYR 510.A OH ASP 539.A OD2 no hydrogen 2.910 N/A SER 512.A OG ASP 109.A OD2 no hydrogen 3.031 N/A SER 512.A OG TYR 532.A OH no hydrogen 3.367 N/A LEU 513.A N TYR 510.A O no hydrogen 3.218 N/A LYS 516.A N VAL 524.A O no hydrogen 2.956 N/A GLU 518.A N GLU 522.A O no hydrogen 2.876 N/A GLU 519.A N GLU 518.A OE1 no hydrogen 3.388 N/A SER 520.A OG ARG 836.A O no hydrogen 3.218 N/A GLY 521.A N GLU 518.A O no hydrogen 3.085 N/A VAL 524.A N LYS 516.A O no hydrogen 2.870 N/A ILE 525.A N ILE 486.A O no hydrogen 2.878 N/A LEU 526.A N THR 514.A O no hydrogen 2.910 N/A GLY 527.A N ILE 484.A O no hydrogen 2.847 N/A THR 528.A OG1 ASN 106.A O no hydrogen 3.027 N/A TYR 532.A OH ASP 109.A OD2 no hydrogen 3.219 N/A LEU 533.A N GLY 529.A O no hydrogen 2.928 N/A ASP 534.A N GLU 530.A O no hydrogen 2.868 N/A CYS 535.A N LEU 531.A O no hydrogen 2.932 N/A CYS 535.A SG LEU 531.A O no hydrogen 3.232 N/A VAL 536.A N TYR 532.A O no hydrogen 2.950 N/A MET 537.A N LEU 533.A O no hydrogen 2.877 N/A HIS 538.A N ASP 534.A O no hydrogen 2.916 N/A ASP 539.A N CYS 535.A O no hydrogen 2.955 N/A LEU 540.A N VAL 536.A O no hydrogen 2.884 N/A ARG 541.A N MET 537.A O no hydrogen 2.883 N/A ARG 541.A N HIS 538.A O no hydrogen 3.291 N/A LYS 542.A N HIS 538.A O no hydrogen 2.938 N/A MET 543.A N ASP 539.A O no hydrogen 2.926 N/A TYR 544.A N ASP 539.A O no hydrogen 3.299 N/A SER 545.A OG LEU 540.A O no hydrogen 2.542 N/A ASP 548.A N ASP 548.A OD1 no hydrogen 2.461 N/A LYS 550.A N GLU 489.A O no hydrogen 2.832 N/A ALA 552.A N ALA 487.A O no hydrogen 2.885 N/A VAL 555.A N LYS 485.A O no hydrogen 2.853 N/A CYS 559.A N MET 724.A O no hydrogen 2.957 N/A GLU 560.A N LEU 679.A O no hydrogen 2.989 N/A THR 561.A N ARG 722.A O no hydrogen 2.910 N/A THR 561.A OG1 VAL 562.A O no hydrogen 3.137 N/A THR 561.A OG1 ARG 681.A O no hydrogen 3.443 N/A VAL 563.A N THR 720.A O no hydrogen 3.263 N/A THR 565.A OG1 SER 566.A O no hydrogen 3.484 N/A SER 566.A N ALA 585.A O no hydrogen 2.934 N/A SER 566.A OG LEU 568.A O no hydrogen 2.988 N/A CYS 570.A N MET 583.A O no hydrogen 3.039 N/A CYS 570.A SG MET 583.A O no hydrogen 3.569 N/A CYS 570.A SG SER 714.A OG no hydrogen 3.357 N/A ALA 572.A N ILE 581.A O no hydrogen 2.923 N/A THR 574.A N LYS 578.A O no hydrogen 3.215 N/A THR 574.A OG1 LYS 578.A O no hydrogen 2.140 N/A ASN 576.A ND2 HIS 698.A O no hydrogen 2.903 N/A LYS 577.A N THR 574.A O no hydrogen 2.601 N/A ASN 579.A ND2 HIS 698.A O no hydrogen 3.299 N/A LYS 580.A NZ THR 582.A OG1 no hydrogen 3.125 N/A ILE 581.A N ALA 572.A O no hydrogen 2.913 N/A THR 582.A N ASP 689.A O no hydrogen 2.883 N/A MET 583.A N CYS 570.A O no hydrogen 2.863 N/A ILE 584.A N LYS 686.A O no hydrogen 2.922 N/A GLU 586.A N LYS 684.A O no hydrogen 2.937 N/A GLU 589.A N GLU 589.A OE1 no hydrogen 2.446 N/A LEU 592.A N GLU 589.A O no hydrogen 3.404 N/A ASP 595.A N GLY 591.A O no hydrogen 2.903 N/A ILE 596.A N LEU 592.A O no hydrogen 2.931 N/A GLU 597.A N ALA 593.A O no hydrogen 2.904 N/A ASN 598.A N GLU 594.A O no hydrogen 2.886 N/A GLU 599.A N ILE 596.A O no hydrogen 3.300 N/A VAL 600.A N ASP 595.A O no hydrogen 2.926 N/A GLN 602.A NE2 GLU 599.A O no hydrogen 3.308 N/A TRP 605.A N GLN 602.A O no hydrogen 2.724 N/A LYS 609.A N ASN 606.A OD1 no hydrogen 3.114 N/A LEU 610.A N ASN 606.A O no hydrogen 2.965 N/A GLY 611.A N ARG 607.A O no hydrogen 2.882 N/A GLU 612.A N LYS 608.A O no hydrogen 2.910 N/A PHE 613.A N LYS 609.A O no hydrogen 2.907 N/A PHE 614.A N LEU 610.A O no hydrogen 2.972 N/A GLN 615.A N GLY 611.A O no hydrogen 2.868 N/A THR 616.A N GLU 612.A O no hydrogen 2.923 N/A LYS 617.A N PHE 613.A O no hydrogen 2.934 N/A TYR 618.A OH ASP 595.A OD2 no hydrogen 3.285 N/A ALA 625.A N ASP 621.A O no hydrogen 2.874 N/A ARG 626.A N LEU 622.A O no hydrogen 2.913 N/A SER 627.A N ALA 624.A O no hydrogen 2.735 N/A SER 627.A OG LEU 623.A O no hydrogen 2.663 N/A TRP 629.A N LEU 641.A O no hydrogen 2.796 N/A THR 636.A OG1 THR 636.A O no hydrogen 2.326 N/A ASN 639.A ND2 ILE 680.A O no hydrogen 2.498 N/A ILE 640.A N VAL 683.A O no hydrogen 2.926 N/A LEU 641.A N ALA 630.A O no hydrogen 2.939 N/A VAL 642.A N PHE 685.A O no hydrogen 2.915 N/A ASP 644.A N ILE 687.A O no hydrogen 2.910 N/A GLU 649.A N LEU 646.A O no hydrogen 3.255 N/A GLU 649.A N GLU 649.A OE1 no hydrogen 2.363 N/A LYS 652.A NZ ASP 643.A OD2 no hydrogen 3.403 N/A LYS 652.A NZ THR 645.A O no hydrogen 3.143 N/A ALA 653.A N ASP 651.A OD1 no hydrogen 3.076 N/A LEU 655.A N ASP 651.A O no hydrogen 2.965 N/A GLY 656.A N LYS 652.A O no hydrogen 2.844 N/A SER 657.A N ALA 653.A O no hydrogen 2.908 N/A VAL 658.A N LEU 654.A O no hydrogen 3.029 N/A LYS 659.A N GLY 656.A O no hydrogen 3.362 N/A SER 661.A N ASP 660.A OD1 no hydrogen 2.579 N/A SER 661.A OG ASP 660.A OD1 no hydrogen 3.480 N/A ILE 662.A N VAL 658.A O no hydrogen 3.000 N/A VAL 663.A N LYS 659.A O no hydrogen 2.873 N/A GLN 664.A N ASP 660.A O no hydrogen 2.921 N/A GLY 665.A N SER 661.A O no hydrogen 2.979 N/A PHE 666.A N ILE 662.A O no hydrogen 2.890 N/A GLN 667.A N VAL 663.A O no hydrogen 2.899 N/A GLN 667.A NE2 GLY 632.A O no hydrogen 3.478 N/A TRP 668.A N GLN 664.A O no hydrogen 2.972 N/A GLY 669.A N GLY 665.A O no hydrogen 2.917 N/A THR 670.A N PHE 666.A O no hydrogen 2.905 N/A THR 670.A OG1 PHE 666.A O no hydrogen 2.834 N/A THR 670.A OG1 GLN 667.A O no hydrogen 2.624 N/A ARG 671.A N GLN 667.A O no hydrogen 2.917 N/A GLU 672.A N TRP 668.A O no hydrogen 2.975 N/A GLY 673.A N GLY 669.A O no hydrogen 2.904 N/A CYS 676.A N GLU 560.A OE2 no hydrogen 3.283 N/A CYS 676.A SG GLU 560.A OE2 no hydrogen 3.289 N/A GLU 678.A N GLU 560.A OE2 no hydrogen 2.936 N/A ILE 680.A N THR 670.A O no hydrogen 3.105 N/A ARG 681.A N GLU 560.A O no hydrogen 2.933 N/A ARG 681.A NE GLU 597.A OE2 no hydrogen 3.243 N/A ARG 681.A NH2 GLU 597.A OE2 no hydrogen 2.574 N/A LYS 684.A N GLU 586.A O no hydrogen 2.853 N/A LYS 684.A NZ GLU 586.A OE2 no hydrogen 3.156 N/A PHE 685.A N ILE 640.A O no hydrogen 2.890 N/A LYS 686.A N ILE 584.A O no hydrogen 2.892 N/A ILE 687.A N VAL 642.A O no hydrogen 2.874 N/A LEU 688.A N THR 582.A O no hydrogen 2.891 N/A ASP 689.A N THR 582.A O no hydrogen 3.006 N/A VAL 691.A N LYS 580.A O no hydrogen 2.892 N/A ALA 693.A N ASN 579.A OD1 no hydrogen 2.570 N/A GLN 694.A N GLN 694.A OE1 no hydrogen 2.625 N/A HIS 698.A N GLU 695.A O no hydrogen 2.798 N/A ARG 699.A N GLU 695.A O no hydrogen 2.959 N/A ARG 699.A NE ALA 693.A O no hydrogen 2.841 N/A GLN 703.A N GLY 700.A O no hydrogen 3.237 N/A THR 707.A OG1 GLN 703.A O no hydrogen 2.827 N/A ALA 708.A N ILE 704.A O no hydrogen 2.589 N/A ARG 709.A N ILE 705.A O no hydrogen 2.964 N/A ARG 710.A N PRO 706.A O no hydrogen 2.891 N/A ARG 710.A NH1 PHE 848.A O no hydrogen 3.382 N/A ARG 710.A NH2 GLU 573.A O no hydrogen 3.369 N/A VAL 711.A N THR 707.A O no hydrogen 2.902 N/A VAL 712.A N ALA 708.A O no hydrogen 2.946 N/A TYR 713.A N ARG 709.A O no hydrogen 2.915 N/A SER 714.A N ARG 710.A O no hydrogen 2.889 N/A SER 714.A OG ARG 710.A O no hydrogen 3.379 N/A SER 714.A OG VAL 711.A O no hydrogen 2.625 N/A ALA 715.A N VAL 711.A O no hydrogen 2.926 N/A PHE 716.A N VAL 712.A O no hydrogen 2.952 N/A LEU 717.A N TYR 713.A O no hydrogen 2.903 N/A MET 718.A N SER 714.A O no hydrogen 2.893 N/A ALA 719.A N ALA 715.A O no hydrogen 2.963 N/A THR 720.A N GLU 564.A OE2 no hydrogen 2.671 N/A THR 720.A OG1 GLU 564.A OE2 no hydrogen 2.235 N/A ARG 722.A N THR 561.A O no hydrogen 2.885 N/A ARG 722.A NH1 PRO 721.A O no hydrogen 2.870 N/A MET 724.A N CYS 559.A O no hydrogen 2.848 N/A GLU 725.A N GLN 801.A O no hydrogen 2.473 N/A TYR 727.A N HIS 799.A O no hydrogen 2.860 N/A TYR 728.A N ILE 771.A O no hydrogen 2.875 N/A TYR 728.A OH THR 528.A O no hydrogen 2.343 N/A PHE 729.A N VAL 796.A O no hydrogen 2.734 N/A VAL 730.A N ALA 769.A O no hydrogen 2.882 N/A GLU 731.A N LEU 794.A O no hydrogen 3.099 N/A VAL 732.A N ILE 767.A O no hydrogen 2.871 N/A GLN 733.A N PHE 792.A O no hydrogen 2.774 N/A GLN 733.A NE2 GLU 129.A OE2 no hydrogen 3.050 N/A ALA 734.A N TYR 765.A O no hydrogen 2.933 N/A VAL 742.A N CYS 738.A O no hydrogen 2.944 N/A TYR 743.A N VAL 739.A O no hydrogen 2.905 N/A TYR 743.A OH ASP 756.A OD2 no hydrogen 3.261 N/A THR 744.A N SER 740.A O no hydrogen 2.928 N/A THR 744.A OG1 SER 740.A O no hydrogen 3.260 N/A VAL 745.A N ALA 741.A O no hydrogen 2.953 N/A LEU 746.A N VAL 742.A O no hydrogen 2.931 N/A ALA 747.A N TYR 743.A O no hydrogen 2.880 N/A ARG 748.A N THR 744.A O no hydrogen 3.004 N/A ARG 748.A N VAL 745.A O no hydrogen 3.231 N/A ARG 749.A N LEU 746.A O no hydrogen 2.947 N/A ARG 749.A NH1 PHE 777.A O no hydrogen 3.060 N/A ARG 749.A NH2 PHE 777.A O no hydrogen 2.994 N/A ARG 749.A NH2 ASP 782.A OD2 no hydrogen 3.417 N/A ARG 750.A NE ASP 775.A OD2 no hydrogen 3.001 N/A ARG 750.A NH1 GLU 725.A OE2 no hydrogen 3.507 N/A ARG 750.A NH2 GLU 725.A OE2 no hydrogen 3.438 N/A ARG 750.A NH2 ASP 775.A OD2 no hydrogen 3.517 N/A GLY 751.A N LEU 746.A O no hydrogen 3.056 N/A HIS 752.A N PHE 770.A O no hydrogen 2.943 N/A GLN 755.A N LYS 768.A O no hydrogen 2.975 N/A ALA 757.A N THR 766.A O no hydrogen 2.925 N/A ILE 759.A N LEU 764.A O no hydrogen 2.926 N/A SER 762.A N ILE 759.A O no hydrogen 2.889 N/A TYR 765.A N ALA 734.A O no hydrogen 2.862 N/A THR 766.A N ALA 757.A O no hydrogen 2.869 N/A ILE 767.A N VAL 732.A O no hydrogen 2.898 N/A LYS 768.A N GLN 755.A O no hydrogen 2.868 N/A ALA 769.A N VAL 730.A O no hydrogen 2.908 N/A PHE 770.A N HIS 752.A O no hydrogen 2.866 N/A ILE 771.A N TYR 728.A O no hydrogen 2.935 N/A ALA 773.A N PRO 726.A O no hydrogen 3.010 N/A SER 776.A N ALA 773.A O no hydrogen 3.015 N/A SER 776.A OG ALA 773.A O no hydrogen 2.506 N/A GLY 778.A N GLU 530.A OE2 no hydrogen 2.743 N/A PHE 779.A N SER 776.A O no hydrogen 2.929 N/A ASP 782.A N GLY 778.A O no hydrogen 2.920 N/A LEU 783.A N PHE 779.A O no hydrogen 2.905 N/A ARG 784.A N GLU 780.A O no hydrogen 2.908 N/A THR 785.A N THR 781.A O no hydrogen 2.888 N/A HIS 786.A N ASP 782.A O no hydrogen 2.934 N/A THR 787.A N LEU 783.A O no hydrogen 2.930 N/A THR 787.A OG1 LEU 783.A O no hydrogen 3.162 N/A GLY 789.A N ARG 784.A O no hydrogen 2.759 N/A GLN 790.A NE2 GLN 788.A O no hydrogen 2.542 N/A LEU 794.A N GLU 731.A O no hydrogen 3.437 N/A VAL 796.A N PHE 729.A O no hydrogen 3.300 N/A HIS 798.A N TYR 727.A O no hydrogen 2.933 N/A HIS 799.A N TYR 727.A O no hydrogen 3.406 N/A HIS 799.A ND1 TRP 800.A O no hydrogen 3.230 N/A GLN 801.A N GLU 725.A O no hydrogen 2.741 N/A VAL 803.A N LEU 723.A O no hydrogen 3.117 N/A ASP 809.A N PRO 807.A O no hydrogen 2.833 N/A SER 811.A N ASP 809.A OD1 no hydrogen 2.698 N/A GLN 820.A NE2 GLU 818.A O no hydrogen 2.370 N/A LEU 825.A N ALA 822.A O no hydrogen 3.147 N/A GLU 828.A N HIS 824.A O no hydrogen 2.991 N/A PHE 829.A N LEU 825.A O no hydrogen 2.894 N/A MET 830.A N ALA 826.A O no hydrogen 2.904 N/A ILE 831.A N ARG 827.A O no hydrogen 2.980 N/A LYS 832.A N GLU 828.A O no hydrogen 2.965 N/A LYS 832.A NZ PRO 816.A O no hydrogen 3.046 N/A THR 833.A N PHE 829.A O no hydrogen 2.894 N/A ARG 834.A N MET 830.A O no hydrogen 2.932 N/A ARG 834.A NE SER 840.A O no hydrogen 3.085 N/A ARG 834.A NH1 PRO 674.A O no hydrogen 3.212 N/A ARG 834.A NH1 LEU 675.A O no hydrogen 2.272 N/A ARG 834.A NH2 SER 840.A OG no hydrogen 3.005 N/A ARG 835.A N ILE 831.A O no hydrogen 2.953 N/A ARG 836.A N LYS 832.A O no hydrogen 2.912 N/A ARG 836.A NE GLU 522.A OE1 no hydrogen 3.291 N/A LYS 837.A N THR 833.A O no hydrogen 2.900 N/A LYS 837.A NZ CYS 676.A O no hydrogen 3.394 N/A LYS 837.A NZ ASP 677.A O no hydrogen 3.508 N/A GLY 838.A N ARG 834.A O no hydrogen 2.921 N/A LEU 839.A N ARG 834.A O no hydrogen 3.170 N/A SER 840.A OG ASP 842.A O no hydrogen 2.724 N/A LYS 847.A N SER 844.A O no hydrogen 2.583 N/A PHE 849.A N SER 846.A O no hydrogen 3.328 N/A