Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5h8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ILE 10.A O no hydrogen 2.858 N/A VAL 5.A N LEU 8.A O no hydrogen 2.949 N/A ASN 7.A N ASP 38.A OD2 no hydrogen 3.288 N/A LEU 8.A N VAL 5.A O no hydrogen 3.189 N/A ARG 9.A N VAL 344.A O no hydrogen 2.896 N/A ILE 10.A N VAL 3.A O no hydrogen 2.910 N/A ALA 11.A N ALA 342.A O no hydrogen 2.445 N/A LEU 14.A N ALA 11.A O no hydrogen 3.074 N/A TYR 15.A N ALA 11.A O no hydrogen 3.037 N/A ASP 16.A N ARG 12.A O no hydrogen 2.917 N/A VAL 18.A N LEU 14.A O no hydrogen 2.910 N/A ASN 19.A N TYR 15.A O no hydrogen 2.929 N/A ASN 19.A ND2 TYR 15.A O no hydrogen 2.406 N/A ASN 20.A N ASP 16.A O no hydrogen 2.904 N/A ASN 20.A ND2 ASP 16.A O no hydrogen 2.874 N/A GLU 21.A N PHE 17.A O no hydrogen 2.930 N/A ALA 22.A N PHE 17.A O no hydrogen 3.205 N/A LEU 23.A N VAL 18.A O no hydrogen 2.871 N/A THR 26.A N LEU 23.A O no hydrogen 2.997 N/A THR 26.A OG1 LEU 23.A O no hydrogen 2.635 N/A SER 32.A N ASP 29.A OD1 no hydrogen 2.843 N/A SER 32.A OG ASP 29.A OD1 no hydrogen 3.136 N/A PHE 33.A N ASP 29.A O no hydrogen 2.629 N/A TRP 34.A N PRO 30.A O no hydrogen 2.909 N/A TRP 34.A NE1 ASN 19.A OD1 no hydrogen 2.915 N/A ALA 35.A N ASP 31.A O no hydrogen 2.915 N/A GLY 36.A N SER 32.A O no hydrogen 2.921 N/A VAL 37.A N PHE 33.A O no hydrogen 2.881 N/A ASP 38.A N TRP 34.A O no hydrogen 2.916 N/A LYS 39.A N ALA 35.A O no hydrogen 2.928 N/A LYS 39.A NZ ASP 43.A OD2 no hydrogen 2.966 N/A VAL 40.A N GLY 36.A O no hydrogen 2.899 N/A VAL 41.A N VAL 37.A O no hydrogen 2.905 N/A ALA 42.A N ASP 38.A O no hydrogen 2.919 N/A ASP 43.A N LYS 39.A O no hydrogen 2.896 N/A LEU 44.A N VAL 40.A O no hydrogen 2.918 N/A THR 45.A OG1 VAL 41.A O no hydrogen 2.291 N/A ASN 48.A N LEU 44.A O no hydrogen 2.805 N/A GLN 49.A N THR 45.A O no hydrogen 2.810 N/A ALA 50.A N PRO 46.A O no hydrogen 3.201 N/A ASN 53.A N GLN 49.A O no hydrogen 3.289 N/A ASN 53.A ND2 GLN 49.A OE1 no hydrogen 3.262 N/A ALA 54.A N ALA 50.A O no hydrogen 3.029 N/A ARG 55.A N LEU 51.A O no hydrogen 3.217 N/A ARG 55.A NE GLU 398.A OE1 no hydrogen 2.699 N/A ARG 55.A NH2 GLU 398.A OE1 no hydrogen 3.223 N/A ARG 55.A NH2 GLU 398.A OE2 no hydrogen 2.607 N/A GLU 57.A N ASN 53.A O no hydrogen 2.885 N/A LEU 58.A N ALA 54.A O no hydrogen 3.039 N/A GLN 59.A N ARG 55.A O no hydrogen 3.042 N/A GLN 59.A NE2 HIS 462.A O no hydrogen 2.650 N/A GLN 59.A NE2 THR 463.A O no hydrogen 3.411 N/A ALA 60.A N ASP 56.A O no hydrogen 3.010 N/A GLN 61.A N GLU 57.A O no hydrogen 3.019 N/A GLN 61.A NE2 GLU 57.A O no hydrogen 3.655 N/A ILE 62.A N LEU 58.A O no hydrogen 3.188 N/A ASP 63.A N GLN 59.A O no hydrogen 2.923 N/A LYS 64.A N ALA 60.A O no hydrogen 2.904 N/A TRP 65.A N GLN 61.A O no hydrogen 3.032 N/A HIS 66.A N ILE 62.A O no hydrogen 3.148 N/A ARG 67.A N ASP 63.A O no hydrogen 3.407 N/A ARG 68.A N LYS 64.A O no hydrogen 3.259 N/A ARG 69.A N HIS 66.A O no hydrogen 3.263 N/A ARG 69.A NH1 TRP 65.A O no hydrogen 3.081 N/A GLU 72.A N VAL 70.A O no hydrogen 2.519 N/A ALA 78.A N ASP 75.A OD2 no hydrogen 2.819 N/A TYR 79.A N ASP 75.A O no hydrogen 3.120 N/A ARG 80.A N MET 76.A O no hydrogen 2.890 N/A GLN 81.A N ASP 77.A O no hydrogen 2.922 N/A GLN 81.A NE2 ALA 78.A O no hydrogen 3.386 N/A PHE 82.A N ALA 78.A O no hydrogen 2.912 N/A LEU 83.A N TYR 79.A O no hydrogen 2.929 N/A THR 84.A N ARG 80.A O no hydrogen 2.898 N/A THR 84.A OG1 ARG 80.A O no hydrogen 2.381 N/A GLU 85.A N GLN 81.A O no hydrogen 2.920 N/A ILE 86.A N PHE 82.A O no hydrogen 2.939 N/A LEU 89.A N LEU 83.A O no hydrogen 2.604 N/A LEU 90.A N ASN 434.A OD1 no hydrogen 2.883 N/A ILE 98.A N ALA 496.A O no hydrogen 3.324 N/A THR 99.A N ALA 443.A O no hydrogen 3.059 N/A THR 99.A OG1 ALA 443.A O no hydrogen 3.471 N/A THR 100.A OG1 VAL 446.A O no hydrogen 3.093 N/A ASP 104.A N TYR 387.A OH no hydrogen 2.915 N/A ILE 107.A N ASP 104.A O no hydrogen 3.301 N/A THR 108.A N ASP 104.A O no hydrogen 3.392 N/A THR 108.A OG1 ASP 104.A O no hydrogen 3.414 N/A THR 108.A OG1 THR 109.A OG1 no hydrogen 3.401 N/A THR 109.A N ALA 105.A O no hydrogen 3.040 N/A THR 109.A OG1 THR 108.A OG1 no hydrogen 3.401 N/A THR 110.A N ALA 105.A O no hydrogen 2.987 N/A THR 110.A OG1 ALA 105.A O no hydrogen 3.419 N/A GLN 114.A N ALA 533.A O no hydrogen 2.894 N/A GLN 114.A NE2 THR 265.A OG1 no hydrogen 2.485 N/A GLN 114.A NE2 GLN 503.A OE1 no hydrogen 3.398 N/A LEU 115.A N THR 265.A O no hydrogen 2.925 N/A VAL 117.A N ILE 267.A O no hydrogen 2.930 N/A VAL 119.A N ASP 269.A O no hydrogen 3.146 N/A ASN 121.A N PRO 118.A O no hydrogen 3.351 N/A PHE 124.A N ASN 121.A OD1 no hydrogen 3.503 N/A ALA 125.A N ASN 121.A O no hydrogen 3.014 N/A LEU 126.A N ALA 122.A O no hydrogen 2.904 N/A ASN 127.A N ARG 123.A O no hydrogen 2.906 N/A ALA 128.A N PHE 124.A O no hydrogen 2.899 N/A ALA 129.A N ALA 125.A O no hydrogen 2.915 N/A ASN 130.A N LEU 126.A O no hydrogen 2.908 N/A ASN 130.A ND2 VAL 306.A O no hydrogen 2.813 N/A ALA 131.A N ALA 128.A O no hydrogen 3.173 N/A ARG 132.A NE GLU 261.A OE2 no hydrogen 3.157 N/A ARG 132.A NH1 ARG 326.A O no hydrogen 2.594 N/A ARG 132.A NH2 GLU 261.A OE2 no hydrogen 3.338 N/A TRP 133.A NE1 PRO 324.A O no hydrogen 2.793 N/A GLY 134.A N LEU 260.A O no hydrogen 2.919 N/A SER 135.A OG ASP 257.A OD1 no hydrogen 2.870 N/A SER 135.A OG ASP 257.A OD2 no hydrogen 2.696 N/A LEU 136.A N VAL 258.A O no hydrogen 2.875 N/A ASP 138.A N SER 135.A OG no hydrogen 3.136 N/A LEU 140.A N LEU 136.A O no hydrogen 2.899 N/A TYR 141.A N TYR 137.A O no hydrogen 2.899 N/A GLY 142.A N ASP 138.A O no hydrogen 2.906 N/A THR 143.A OG1 ALA 139.A O no hydrogen 2.437 N/A LYS 154.A NZ TYR 141.A O no hydrogen 2.929 N/A LYS 154.A NZ GLU 148.A OE2 no hydrogen 3.344 N/A ASN 159.A N TYR 141.A OH no hydrogen 3.089 N/A ASN 159.A ND2 GLU 153.A O no hydrogen 2.405 N/A ARG 162.A NE TYR 141.A O no hydrogen 3.064 N/A ARG 162.A NH1 ILE 146.A O no hydrogen 2.751 N/A ARG 162.A NH1 PRO 147.A O no hydrogen 3.479 N/A ARG 162.A NH2 TYR 141.A O no hydrogen 3.128 N/A ARG 162.A NH2 ILE 146.A O no hydrogen 2.761 N/A GLY 163.A N ASN 159.A O no hydrogen 3.104 N/A ASP 164.A N LYS 160.A O no hydrogen 2.899 N/A LYS 165.A N VAL 161.A O no hydrogen 2.921 N/A VAL 166.A N ARG 162.A O no hydrogen 2.910 N/A ILE 167.A N GLY 163.A O no hydrogen 2.901 N/A ALA 168.A N ASP 164.A O no hydrogen 2.900 N/A TYR 169.A N LYS 165.A O no hydrogen 2.921 N/A ALA 170.A N VAL 166.A O no hydrogen 2.922 N/A ARG 171.A N ILE 167.A O no hydrogen 2.881 N/A ARG 171.A NE PHE 185.A O no hydrogen 2.932 N/A ARG 171.A NH1 ASP 251.A OD1 no hydrogen 2.873 N/A ARG 171.A NH1 ASP 251.A OD2 no hydrogen 2.627 N/A LYS 172.A N ALA 168.A O no hydrogen 2.924 N/A LYS 172.A NZ ASP 176.A OD2 no hydrogen 2.984 N/A PHE 173.A N TYR 169.A O no hydrogen 2.932 N/A LEU 174.A N ALA 170.A O no hydrogen 2.895 N/A ASP 175.A N ARG 171.A O no hydrogen 2.917 N/A ASP 176.A N LYS 172.A O no hydrogen 2.931 N/A SER 177.A N PHE 173.A O no hydrogen 2.899 N/A SER 177.A OG PHE 173.A O no hydrogen 2.984 N/A VAL 178.A N LEU 174.A O no hydrogen 3.094 N/A SER 181.A N GLY 208.A O no hydrogen 3.195 N/A SER 181.A OG THR 207.A OG1 no hydrogen 3.269 N/A SER 181.A OG GLY 208.A O no hydrogen 2.836 N/A SER 184.A OG ASP 175.A OD1 no hydrogen 2.301 N/A PHE 185.A N ASP 175.A OD1 no hydrogen 3.377 N/A PHE 185.A N ASP 175.A OD2 no hydrogen 2.584 N/A GLY 186.A N SER 184.A OG no hydrogen 3.084 N/A ASP 187.A N SER 184.A O no hydrogen 3.270 N/A ALA 188.A N PHE 185.A O no hydrogen 3.133 N/A THR 189.A N ALA 201.A O no hydrogen 2.619 N/A THR 189.A OG1 ALA 201.A O no hydrogen 2.503 N/A THR 192.A N VAL 199.A O no hydrogen 2.920 N/A THR 192.A OG1 VAL 199.A O no hydrogen 3.357 N/A VAL 193.A N ALA 222.A O no hydrogen 2.585 N/A GLN 194.A N GLN 197.A O no hydrogen 3.147 N/A GLN 197.A N GLN 194.A O no hydrogen 3.434 N/A VAL 199.A N THR 192.A O no hydrogen 2.874 N/A VAL 200.A N THR 207.A O no hydrogen 2.504 N/A ALA 201.A N GLY 190.A O no hydrogen 3.003 N/A LEU 202.A N LYS 205.A O no hydrogen 2.976 N/A LYS 205.A NZ SER 182.A OG no hydrogen 3.272 N/A THR 207.A N VAL 200.A O no hydrogen 2.971 N/A THR 207.A OG1 GLY 208.A O no hydrogen 2.803 N/A ALA 210.A N PRO 179.A O no hydrogen 3.147 N/A GLN 214.A N ASN 211.A O no hydrogen 3.051 N/A GLN 214.A NE2 SER 177.A O no hydrogen 3.525 N/A GLN 214.A NE2 ILE 231.A O no hydrogen 3.328 N/A PHE 215.A N PRO 212.A O no hydrogen 3.050 N/A ALA 216.A N LEU 229.A O no hydrogen 2.831 N/A GLY 217.A N LEU 229.A O no hydrogen 2.913 N/A TYR 218.A N THR 314.A O no hydrogen 3.104 N/A THR 219.A N SER 227.A O no hydrogen 2.923 N/A THR 219.A OG1 THR 226.A OG1 no hydrogen 2.681 N/A THR 219.A OG1 SER 227.A OG no hydrogen 2.243 N/A THR 226.A N THR 219.A O no hydrogen 2.833 N/A THR 226.A OG1 THR 219.A O no hydrogen 3.260 N/A THR 226.A OG1 THR 219.A OG1 no hydrogen 2.681 N/A SER 227.A OG THR 219.A OG1 no hydrogen 2.243 N/A SER 227.A OG GLU 238.A OE2 no hydrogen 3.483 N/A VAL 228.A N ILE 239.A O no hydrogen 2.913 N/A LEU 229.A N GLY 217.A O no hydrogen 2.872 N/A LEU 230.A N ILE 237.A O no hydrogen 2.872 N/A ILE 231.A N GLN 214.A O no hydrogen 2.703 N/A ASN 232.A N LEU 235.A O no hydrogen 2.893 N/A ASN 232.A ND2 HIS 549.A ND1 no hydrogen 3.210 N/A ASN 232.A ND2 HIS 549.A O no hydrogen 3.156 N/A HIS 233.A ND1 TYR 548.A O no hydrogen 3.045 N/A LEU 235.A N ASN 232.A O no hydrogen 2.910 N/A HIS 236.A N GLU 261.A OE1 no hydrogen 2.719 N/A HIS 236.A ND1 GLU 261.A OE1 no hydrogen 3.012 N/A ILE 237.A N LEU 230.A O no hydrogen 2.894 N/A GLU 238.A N ILE 259.A O no hydrogen 2.720 N/A ILE 239.A N VAL 228.A O no hydrogen 2.908 N/A LEU 240.A N ASP 257.A O no hydrogen 2.904 N/A ILE 241.A N THR 226.A O no hydrogen 2.617 N/A ASP 242.A N GLY 254.A O no hydrogen 2.641 N/A SER 245.A OG ASP 242.A O no hydrogen 2.583 N/A GLN 246.A N GLN 246.A OE1 no hydrogen 2.606 N/A THR 249.A OG1 SER 245.A O no hydrogen 3.390 N/A THR 250.A OG1 VAL 247.A O no hydrogen 2.970 N/A ASP 251.A N VAL 247.A O no hydrogen 3.338 N/A ALA 253.A N ASP 251.A OD1 no hydrogen 2.690 N/A VAL 255.A N ASP 251.A OD1 no hydrogen 3.158 N/A LYS 256.A N LEU 240.A O no hydrogen 2.899 N/A VAL 258.A N ASP 257.A OD1 no hydrogen 2.515 N/A ILE 259.A N GLU 238.A O no hydrogen 2.710 N/A LEU 260.A N GLY 134.A O no hydrogen 2.885 N/A GLU 261.A N HIS 236.A O no hydrogen 3.155 N/A SER 262.A N ARG 132.A O no hydrogen 2.786 N/A SER 262.A OG LEU 260.A O no hydrogen 3.232 N/A SER 262.A OG THR 542.A OG1 no hydrogen 3.014 N/A ALA 263.A N ALA 131.A O no hydrogen 2.849 N/A ILE 264.A N PRO 113.A O no hydrogen 3.309 N/A THR 266.A N LEU 328.A O no hydrogen 2.912 N/A THR 266.A OG1 ALA 128.A O no hydrogen 3.074 N/A ILE 267.A N LEU 115.A O no hydrogen 2.869 N/A MET 268.A N PHE 330.A O no hydrogen 2.923 N/A ASP 269.A N VAL 117.A O no hydrogen 2.894 N/A PHE 270.A N ARG 332.A O no hydrogen 2.915 N/A GLU 271.A N ASP 269.A OD1 no hydrogen 2.899 N/A SER 273.A N ASP 269.A OD2 no hydrogen 2.900 N/A SER 273.A OG ASP 269.A OD2 no hydrogen 2.409 N/A VAL 274.A N GLU 271.A O no hydrogen 3.183 N/A ALA 280.A N ASP 278.A OD2 no hydrogen 2.878 N/A LYS 282.A NZ GLU 353.A OE2 no hydrogen 2.977 N/A LYS 282.A NZ ASP 357.A OD1 no hydrogen 2.894 N/A LYS 282.A NZ ASP 357.A OD2 no hydrogen 3.397 N/A VAL 283.A N ALA 279.A O no hydrogen 2.898 N/A LEU 284.A N ALA 280.A O no hydrogen 2.905 N/A GLY 285.A N ASP 281.A O no hydrogen 2.935 N/A TYR 286.A N LYS 282.A O no hydrogen 2.892 N/A TYR 286.A OH ASP 357.A OD1 no hydrogen 2.498 N/A ARG 287.A N VAL 283.A O no hydrogen 2.881 N/A ASN 288.A N LEU 284.A O no hydrogen 2.945 N/A ASN 288.A ND2 VAL 119.A O no hydrogen 2.907 N/A TRP 289.A N GLY 285.A O no hydrogen 2.918 N/A LEU 290.A N TYR 286.A O no hydrogen 2.894 N/A GLY 291.A N ARG 287.A O no hydrogen 2.907 N/A LEU 292.A N ASN 288.A O no hydrogen 2.903 N/A ASN 293.A N TRP 289.A O no hydrogen 2.946 N/A ASN 293.A ND2 TRP 289.A O no hydrogen 2.855 N/A LYS 294.A N LEU 290.A O no hydrogen 2.894 N/A GLY 295.A N GLY 291.A O no hydrogen 2.719 N/A LEU 297.A N GLY 291.A O no hydrogen 3.315 N/A ALA 299.A N ARG 305.A O no hydrogen 2.924 N/A VAL 301.A N PHE 303.A O no hydrogen 2.904 N/A PHE 303.A N VAL 301.A O no hydrogen 3.247 N/A ARG 305.A N ALA 299.A O no hydrogen 2.898 N/A ASN 308.A N ASN 130.A OD1 no hydrogen 2.602 N/A ARG 311.A N LEU 323.A O no hydrogen 2.918 N/A TYR 313.A N PHE 321.A O no hydrogen 2.916 N/A TYR 313.A OH GLU 238.A OE1 no hydrogen 2.711 N/A THR 314.A N TYR 218.A O no hydrogen 2.853 N/A ALA 315.A N GLY 319.A O no hydrogen 2.556 N/A PHE 321.A N TYR 313.A O no hydrogen 2.896 N/A LEU 323.A N ARG 311.A O no hydrogen 2.878 N/A ARG 326.A NE ASN 308.A O no hydrogen 2.705 N/A SER 327.A N ALA 129.A O no hydrogen 2.922 N/A SER 327.A OG ALA 128.A O no hydrogen 3.404 N/A SER 327.A OG ALA 129.A O no hydrogen 3.398 N/A SER 327.A OG ALA 263.A O no hydrogen 2.706 N/A SER 327.A OG THR 266.A OG1 no hydrogen 3.400 N/A LEU 328.A N ILE 264.A O no hydrogen 3.161 N/A MET 329.A N ASN 380.A OD1 no hydrogen 3.141 N/A PHE 330.A N THR 266.A O no hydrogen 2.876 N/A VAL 331.A N TYR 387.A O no hydrogen 2.975 N/A ARG 332.A N MET 268.A O no hydrogen 2.902 N/A ARG 332.A NE ASP 269.A OD1 no hydrogen 2.590 N/A ARG 332.A NH2 ASP 269.A OD1 no hydrogen 3.115 N/A ARG 332.A NH2 ASP 269.A OD2 no hydrogen 2.997 N/A VAL 334.A N ASP 357.A OD2 no hydrogen 3.180 N/A THR 339.A OG1 GLU 350.A OE1 no hydrogen 2.497 N/A ASN 340.A N VAL 351.A O no hydrogen 2.885 N/A VAL 344.A N ARG 9.A O no hydrogen 2.916 N/A ASP 345.A N SER 349.A O no hydrogen 3.088 N/A THR 346.A OG1 ASP 347.A OD2 no hydrogen 3.366 N/A VAL 351.A N ASN 340.A O no hydrogen 2.946 N/A GLU 353.A N MET 338.A O no hydrogen 3.236 N/A ILE 355.A N PHE 352.A O no hydrogen 3.124 N/A MET 356.A N PHE 352.A O no hydrogen 3.438 N/A ASP 357.A N GLU 353.A O no hydrogen 2.914 N/A ALA 358.A N GLY 354.A O no hydrogen 2.900 N/A LEU 359.A N ILE 355.A O no hydrogen 2.955 N/A PHE 360.A N MET 356.A O no hydrogen 2.884 N/A THR 361.A N ASP 357.A O no hydrogen 2.897 N/A THR 361.A OG1 ASN 333.A OD1 no hydrogen 3.535 N/A GLY 362.A N ALA 358.A O no hydrogen 2.935 N/A LEU 363.A N LEU 359.A O no hydrogen 2.909 N/A ILE 364.A N PHE 360.A O no hydrogen 2.900 N/A ALA 365.A N THR 361.A O no hydrogen 2.914 N/A ILE 366.A N LEU 363.A O no hydrogen 3.389 N/A HIS 367.A N ILE 364.A O no hydrogen 3.115 N/A HIS 367.A NE2 ALA 22.A O no hydrogen 2.737 N/A GLY 368.A N ALA 365.A O no hydrogen 3.241 N/A LEU 369.A N ILE 366.A O no hydrogen 3.249 N/A LYS 370.A N HIS 367.A O no hydrogen 3.411 N/A SER 372.A N GLY 376.A O no hydrogen 3.217 N/A SER 372.A OG ASN 375.A OD1 no hydrogen 3.139 N/A ASN 375.A N SER 372.A OG no hydrogen 3.157 N/A ASN 375.A ND2 GLY 25.A O no hydrogen 3.248 N/A ASN 375.A ND2 HIS 367.A ND1 no hydrogen 3.153 N/A ASN 380.A N GLY 368.A O no hydrogen 2.537 N/A ASN 380.A ND2 MET 329.A O no hydrogen 3.324 N/A SER 381.A OG ASP 104.A OD2 no hydrogen 2.936 N/A SER 381.A OG SER 385.A O no hydrogen 3.480 N/A ARG 382.A N ASP 104.A OD1 no hydrogen 2.953 N/A ARG 382.A NH2 ASP 310.A OD1 no hydrogen 2.497 N/A THR 383.A N ASP 104.A OD1 no hydrogen 3.322 N/A THR 383.A OG1 GLY 102.A O no hydrogen 2.697 N/A THR 383.A OG1 ASP 104.A OD2 no hydrogen 3.251 N/A THR 383.A OG1 SER 381.A OG no hydrogen 3.390 N/A GLY 384.A N SER 381.A OG no hydrogen 3.085 N/A SER 385.A N SER 381.A OG no hydrogen 3.061 N/A SER 385.A OG GLY 102.A O no hydrogen 2.375 N/A ILE 386.A N THR 419.A O no hydrogen 2.760 N/A TYR 387.A OH ASP 104.A OD2 no hydrogen 2.382 N/A ILE 388.A N LYS 421.A O no hydrogen 2.831 N/A VAL 389.A N VAL 331.A O no hydrogen 3.027 N/A LYS 390.A NZ VAL 334.A O no hydrogen 3.039 N/A LYS 392.A N GLU 427.A OE2 no hydrogen 3.051 N/A LYS 392.A NZ GLU 271.A OE1 no hydrogen 2.369 N/A LYS 392.A NZ ASP 272.A OD1 no hydrogen 3.280 N/A LYS 392.A NZ ASP 272.A OD2 no hydrogen 2.903 N/A HIS 394.A N GLU 398.A OE2 no hydrogen 2.494 N/A HIS 394.A NE2 TYR 702.A OH no hydrogen 2.645 N/A GLY 395.A N THR 431.A OG1 no hydrogen 2.908 N/A VAL 399.A N GLY 395.A O no hydrogen 2.954 N/A ALA 400.A N PRO 396.A O no hydrogen 2.891 N/A PHE 401.A N ALA 397.A O no hydrogen 2.916 N/A THR 402.A N GLU 398.A O no hydrogen 2.918 N/A THR 402.A OG1 HIS 336.A NE2 no hydrogen 2.858 N/A THR 402.A OG1 GLU 398.A O no hydrogen 3.152 N/A CYS 403.A N VAL 399.A O no hydrogen 2.941 N/A CYS 403.A SG VAL 399.A O no hydrogen 3.307 N/A CYS 403.A SG ALA 441.A O no hydrogen 3.468 N/A GLU 404.A N ALA 400.A O no hydrogen 2.907 N/A LEU 405.A N PHE 401.A O no hydrogen 2.891 N/A PHE 406.A N THR 402.A O no hydrogen 2.906 N/A SER 407.A N CYS 403.A O no hydrogen 2.917 N/A ARG 408.A N GLU 404.A O no hydrogen 2.914 N/A VAL 409.A N LEU 405.A O no hydrogen 2.902 N/A GLU 410.A N PHE 406.A O no hydrogen 2.903 N/A ASP 411.A N SER 407.A O no hydrogen 2.936 N/A VAL 412.A N ARG 408.A O no hydrogen 2.917 N/A LEU 413.A N VAL 409.A O no hydrogen 2.895 N/A GLY 414.A N ASP 411.A O no hydrogen 3.405 N/A LEU 415.A N GLU 410.A O no hydrogen 2.854 N/A GLN 417.A NE2 SER 407.A OG no hydrogen 2.954 N/A ASN 418.A N GLU 410.A OE2 no hydrogen 2.678 N/A THR 419.A OG1 PRO 416.A O no hydrogen 2.280 N/A MET 420.A N GLU 410.A OE1 no hydrogen 2.520 N/A LYS 421.A N ILE 386.A O no hydrogen 2.452 N/A LYS 421.A NZ SER 101.A O no hydrogen 3.042 N/A LYS 421.A NZ ASN 418.A O no hydrogen 2.687 N/A ILE 422.A N ARG 445.A O no hydrogen 2.691 N/A GLY 423.A N ILE 388.A O no hydrogen 3.030 N/A ASP 426.A N ASN 450.A O no hydrogen 2.909 N/A ARG 429.A N ASP 459.A OD1 no hydrogen 2.788 N/A ARG 429.A NE GLU 460.A OE1 no hydrogen 3.198 N/A ARG 429.A NE GLU 460.A OE2 no hydrogen 3.541 N/A THR 431.A OG1 MET 393.A O no hydrogen 2.181 N/A THR 432.A N GLU 428.A O no hydrogen 2.549 N/A THR 432.A OG1 ASP 426.A OD2 no hydrogen 2.907 N/A THR 432.A OG1 GLU 428.A O no hydrogen 2.832 N/A VAL 433.A N ARG 429.A O no hydrogen 2.912 N/A ASN 434.A N THR 431.A O no hydrogen 3.321 N/A ASN 434.A ND2 TYR 88.A O no hydrogen 3.366 N/A ASN 434.A ND2 ARG 430.A O no hydrogen 2.474 N/A LYS 436.A NZ PRO 93.A O no hydrogen 3.348 N/A LYS 436.A NZ ASP 95.A OD1 no hydrogen 2.606 N/A CYS 438.A N ASN 434.A O no hydrogen 2.926 N/A CYS 438.A SG ASN 434.A O no hydrogen 3.215 N/A ILE 439.A N LEU 435.A O no hydrogen 2.899 N/A LYS 440.A N LYS 436.A O no hydrogen 2.918 N/A ALA 441.A N ALA 437.A O no hydrogen 2.914 N/A ALA 442.A N ILE 439.A O no hydrogen 3.124 N/A ARG 445.A N ALA 442.A O no hydrogen 3.236 N/A ARG 445.A NH1 GLU 410.A OE1 no hydrogen 2.867 N/A ARG 445.A NH1 MET 420.A O no hydrogen 2.925 N/A ARG 445.A NH2 GLU 410.A OE2 no hydrogen 2.992 N/A VAL 446.A N ALA 442.A O no hydrogen 3.068 N/A VAL 447.A N ILE 422.A O no hydrogen 2.934 N/A ILE 449.A N GLN 503.A O no hydrogen 2.929 N/A ASN 450.A ND2 LYS 506.A O no hydrogen 3.685 N/A THR 451.A N GLY 505.A O no hydrogen 2.908 N/A THR 451.A OG1 GLU 486.A OE1 no hydrogen 3.015 N/A THR 451.A OG1 GLU 486.A OE2 no hydrogen 3.465 N/A GLY 452.A N ASP 426.A O no hydrogen 3.476 N/A ARG 456.A N GLY 452.A O no hydrogen 3.098 N/A ARG 456.A NE THR 432.A OG1 no hydrogen 2.805 N/A ARG 456.A NH1 ARG 456.A O no hydrogen 3.130 N/A ARG 456.A NH1 GLU 460.A OE1 no hydrogen 2.443 N/A ARG 456.A NH2 GLU 460.A OE1 no hydrogen 3.260 N/A THR 457.A N PHE 453.A O no hydrogen 2.886 N/A THR 457.A OG1 PHE 453.A O no hydrogen 2.475 N/A GLY 458.A N LEU 454.A O no hydrogen 2.927 N/A ASP 459.A N ASP 455.A O no hydrogen 2.898 N/A GLU 460.A N ARG 456.A O no hydrogen 2.904 N/A ILE 461.A N THR 457.A O no hydrogen 2.911 N/A HIS 462.A N GLY 458.A O no hydrogen 2.933 N/A HIS 462.A ND1 GLN 635.A OE1 no hydrogen 2.981 N/A THR 463.A N ASP 459.A O no hydrogen 2.895 N/A THR 463.A OG1 ASP 459.A O no hydrogen 2.293 N/A MET 465.A N HIS 462.A O no hydrogen 3.269 N/A ALA 467.A N SER 464.A O no hydrogen 3.087 N/A MET 470.A N ASN 639.A OD1 no hydrogen 2.696 N/A ARG 472.A NH2 GLU 589.A OE1 no hydrogen 2.935 N/A LYS 473.A N GLU 590.A OE2 no hydrogen 3.288 N/A LYS 473.A NZ ASN 594.A OD1 no hydrogen 3.433 N/A LYS 473.A NZ SER 633.A OG no hydrogen 3.250 N/A THR 475.A N ARG 472.A O no hydrogen 2.905 N/A THR 475.A OG1 ARG 472.A O no hydrogen 3.337 N/A MET 476.A N LYS 473.A O no hydrogen 2.936 N/A LYS 477.A NZ GLY 474.A O no hydrogen 2.870 N/A SER 478.A N THR 475.A O no hydrogen 2.912 N/A GLN 479.A N MET 476.A O no hydrogen 3.270 N/A ALA 484.A N PRO 480.A O no hydrogen 2.932 N/A TYR 485.A N TRP 481.A O no hydrogen 2.897 N/A TYR 485.A OH ASP 426.A O no hydrogen 2.146 N/A GLU 486.A N ILE 482.A O no hydrogen 2.922 N/A ASP 487.A N LEU 483.A O no hydrogen 2.949 N/A HIS 488.A N ALA 484.A O no hydrogen 2.890 N/A ASN 489.A N TYR 485.A O no hydrogen 2.940 N/A ASN 489.A ND2 ASP 426.A OD1 no hydrogen 3.153 N/A VAL 490.A N GLU 486.A O no hydrogen 2.972 N/A ASP 491.A N ASP 487.A O no hydrogen 2.912 N/A ALA 492.A N HIS 488.A O no hydrogen 2.896 N/A GLY 493.A N ASN 489.A O no hydrogen 2.943 N/A LEU 494.A N VAL 490.A O no hydrogen 2.913 N/A ALA 495.A N ASP 491.A O no hydrogen 2.895 N/A ALA 496.A N ALA 492.A O no hydrogen 2.923 N/A GLY 497.A N LEU 494.A O no hydrogen 3.025 N/A PHE 498.A N GLY 493.A O no hydrogen 3.202 N/A SER 499.A OG GLN 557.A OE1 no hydrogen 2.617 N/A ARG 501.A N PHE 498.A O no hydrogen 2.817 N/A ARG 501.A NH1 GLY 497.A O no hydrogen 2.732 N/A ALA 502.A N PHE 498.A O no hydrogen 2.657 N/A GLN 503.A N VAL 447.A O no hydrogen 2.792 N/A GLN 503.A NE2 GLU 106.A O no hydrogen 3.127 N/A GLY 505.A N ILE 449.A O no hydrogen 2.890 N/A LYS 506.A N THR 532.A O no hydrogen 2.950 N/A LYS 506.A NZ GLU 486.A OE1 no hydrogen 2.556 N/A GLY 507.A N THR 451.A OG1 no hydrogen 3.310 N/A TRP 509.A NE1 MET 511.A O no hydrogen 2.473 N/A LEU 514.A N MET 511.A O no hydrogen 3.167 N/A MET 515.A N ASP 144.A OD1 no hydrogen 2.929 N/A ALA 516.A N ASP 144.A OD1 no hydrogen 2.992 N/A MET 518.A N LEU 514.A O no hydrogen 3.212 N/A VAL 519.A N MET 515.A O no hydrogen 2.897 N/A GLU 520.A N ALA 516.A O no hydrogen 2.923 N/A THR 521.A N ASP 517.A O no hydrogen 2.904 N/A THR 521.A OG1 ASP 517.A O no hydrogen 2.579 N/A THR 521.A OG1 ASP 517.A OD2 no hydrogen 3.485 N/A LYS 522.A N MET 518.A O no hydrogen 2.889 N/A LYS 522.A NZ GLN 525.A OE1 no hydrogen 2.427 N/A LYS 522.A NZ TRP 534.A O no hydrogen 3.391 N/A ALA 524.A N THR 521.A O no hydrogen 3.107 N/A GLN 525.A N LYS 522.A O no hydrogen 3.373 N/A GLN 525.A NE2 GLY 507.A O no hydrogen 3.606 N/A ARG 527.A N ILE 523.A O no hydrogen 3.299 N/A ALA 528.A N GLN 525.A O no hydrogen 2.931 N/A GLY 529.A N PRO 526.A O no hydrogen 3.400 N/A ALA 530.A N GLN 525.A O no hydrogen 2.984 N/A THR 532.A N VAL 504.A O no hydrogen 3.115 N/A THR 532.A OG1 GLY 112.A O no hydrogen 2.904 N/A TRP 534.A N LYS 506.A O no hydrogen 2.919 N/A TRP 534.A NE1 GLN 114.A OE1 no hydrogen 2.512 N/A VAL 535.A N GLN 114.A O no hydrogen 2.916 N/A ALA 540.A N SER 537.A OG no hydrogen 3.189 N/A ALA 541.A N SER 537.A O no hydrogen 2.870 N/A THR 542.A N PRO 538.A O no hydrogen 2.928 N/A THR 542.A OG1 SER 262.A OG no hydrogen 3.014 N/A THR 542.A OG1 PRO 538.A O no hydrogen 3.193 N/A LEU 543.A N THR 539.A O no hydrogen 2.924 N/A HIS 544.A N ALA 540.A O no hydrogen 2.897 N/A HIS 544.A ND1 HIS 547.A ND1 no hydrogen 2.993 N/A ALA 545.A N ALA 541.A O no hydrogen 2.938 N/A HIS 547.A N HIS 544.A O no hydrogen 3.232 N/A HIS 547.A ND1 HIS 544.A ND1 no hydrogen 2.993 N/A HIS 547.A NE2 VAL 519.A O no hydrogen 2.767 N/A TYR 548.A OH HIS 544.A NE2 no hydrogen 3.154 N/A HIS 549.A N ALA 545.A O no hydrogen 2.955 N/A GLN 550.A N LEU 546.A O no hydrogen 2.908 N/A GLN 550.A N HIS 547.A O no hydrogen 3.313 N/A VAL 551.A N HIS 547.A O no hydrogen 2.760 N/A ALA 555.A N ASP 552.A OD1 no hydrogen 3.340 N/A VAL 556.A N ASP 552.A O no hydrogen 3.082 N/A GLN 557.A N VAL 553.A O no hydrogen 2.906 N/A GLN 557.A NE2 GLY 529.A O no hydrogen 3.275 N/A GLN 558.A N ALA 554.A O no hydrogen 2.919 N/A GLY 559.A N ALA 555.A O no hydrogen 2.908 N/A LEU 560.A N GLN 557.A O no hydrogen 3.110 N/A ARG 565.A NE ASP 491.A OD1 no hydrogen 3.116 N/A ARG 565.A NE ASP 491.A OD2 no hydrogen 2.848 N/A GLN 570.A N THR 567.A O no hydrogen 3.034 N/A LEU 571.A N THR 567.A O no hydrogen 3.327 N/A LEU 572.A N ILE 568.A O no hydrogen 3.144 N/A THR 573.A N GLN 570.A O no hydrogen 3.445 N/A THR 573.A OG1 GLU 569.A O no hydrogen 2.837 N/A THR 573.A OG1 GLN 570.A O no hydrogen 3.445 N/A LEU 576.A N ILE 574.A O no hydrogen 2.724 N/A ALA 577.A N PRO 469.A O no hydrogen 2.917 N/A LEU 580.A N ALA 577.A O no hydrogen 2.981 N/A ILE 587.A N ALA 583.A O no hydrogen 2.813 N/A ARG 588.A N PRO 584.A O no hydrogen 2.909 N/A GLU 589.A N ASP 585.A O no hydrogen 2.906 N/A GLU 590.A N GLU 586.A O no hydrogen 2.915 N/A VAL 591.A N ILE 587.A O no hydrogen 2.912 N/A ASP 592.A N ARG 588.A O no hydrogen 2.906 N/A ASN 593.A N GLU 589.A O no hydrogen 2.915 N/A ASN 594.A N GLU 590.A O no hydrogen 2.908 N/A CYS 595.A N VAL 591.A O no hydrogen 2.888 N/A CYS 595.A SG VAL 591.A O no hydrogen 3.171 N/A CYS 595.A SG SER 654.A OG no hydrogen 3.450 N/A GLN 596.A N ASP 592.A O no hydrogen 2.913 N/A SER 597.A N ASN 593.A O no hydrogen 2.936 N/A SER 597.A OG GLU 625.A OE2 no hydrogen 3.107 N/A ILE 598.A N ASN 594.A O no hydrogen 2.879 N/A LEU 599.A N CYS 595.A O no hydrogen 2.907 N/A GLY 600.A N GLN 596.A O no hydrogen 2.936 N/A TYR 601.A N ILE 598.A O no hydrogen 3.288 N/A TYR 601.A OH GLY 611.A O no hydrogen 2.871 N/A VAL 602.A N ILE 598.A O no hydrogen 2.907 N/A VAL 603.A N LEU 599.A O no hydrogen 2.930 N/A ARG 604.A N TYR 601.A O no hydrogen 3.224 N/A ARG 604.A NE ASN 666.A OD1 no hydrogen 3.309 N/A ARG 604.A NH1 SER 613.A OG no hydrogen 2.933 N/A TRP 605.A N TYR 601.A O no hydrogen 2.928 N/A VAL 606.A N VAL 602.A O no hydrogen 2.918 N/A ASP 607.A N VAL 603.A O no hydrogen 3.383 N/A VAL 610.A N ARG 604.A O no hydrogen 2.930 N/A CYS 612.A SG GLU 625.A O no hydrogen 3.927 N/A SER 613.A N GLU 625.A O no hydrogen 2.953 N/A ASP 617.A N VAL 621.A O no hydrogen 3.228 N/A VAL 621.A N ASP 617.A OD1 no hydrogen 2.656 N/A LEU 623.A N VAL 615.A O no hydrogen 2.914 N/A GLU 625.A N SER 613.A O no hydrogen 2.865 N/A ASP 626.A N THR 629.A OG1 no hydrogen 3.331 N/A ARG 627.A N ASP 272.A O no hydrogen 3.372 N/A ARG 627.A NH1 GLU 704.A OE1 no hydrogen 3.192 N/A ARG 627.A NH2 VAL 274.A O no hydrogen 3.336 N/A THR 629.A OG1 GLU 625.A OE1 no hydrogen 2.573 N/A THR 629.A OG1 ASP 626.A O no hydrogen 3.134 N/A LEU 630.A N ASP 626.A O no hydrogen 3.192 N/A ARG 631.A N ARG 627.A O no hydrogen 2.901 N/A ARG 631.A NH1 ASP 455.A OD1 no hydrogen 3.382 N/A ILE 632.A N ALA 628.A O no hydrogen 2.926 N/A SER 633.A N THR 629.A O no hydrogen 2.912 N/A SER 633.A OG THR 629.A O no hydrogen 2.860 N/A SER 634.A N LEU 630.A O no hydrogen 2.910 N/A SER 634.A OG LEU 630.A O no hydrogen 3.123 N/A SER 634.A OG ARG 631.A O no hydrogen 2.791 N/A GLN 635.A N ARG 631.A O no hydrogen 2.897 N/A GLN 635.A NE2 GLY 695.A O no hydrogen 3.132 N/A LEU 636.A N ILE 632.A O no hydrogen 2.926 N/A LEU 637.A N SER 633.A O no hydrogen 3.489 N/A ALA 638.A N SER 634.A O no hydrogen 2.904 N/A ASN 639.A N LEU 636.A O no hydrogen 3.079 N/A ASN 639.A ND2 GLY 468.A O no hydrogen 2.971 N/A TRP 640.A N LEU 636.A O no hydrogen 2.942 N/A TRP 640.A NE1 MET 470.A O no hydrogen 2.767 N/A LEU 641.A N LEU 637.A O no hydrogen 2.910 N/A HIS 643.A NE2 MET 465.A O no hydrogen 2.861 N/A VAL 645.A N TRP 640.A O no hydrogen 2.891 N/A ILE 646.A N TRP 640.A O no hydrogen 3.194 N/A THR 647.A N ASP 650.A OD2 no hydrogen 2.863 N/A THR 647.A OG1 ASP 650.A OD2 no hydrogen 2.920 N/A VAL 651.A N THR 647.A O no hydrogen 3.119 N/A ARG 652.A N SER 648.A O no hydrogen 2.921 N/A ARG 652.A NE GLU 656.A OE2 no hydrogen 3.213 N/A ARG 652.A NH1 GLN 689.A OE1 no hydrogen 2.840 N/A ARG 652.A NH2 GLU 656.A OE2 no hydrogen 2.401 N/A ALA 653.A N ALA 649.A O no hydrogen 2.910 N/A SER 654.A N ASP 650.A O no hydrogen 2.907 N/A SER 654.A OG ASP 592.A OD1 no hydrogen 2.696 N/A LEU 655.A N VAL 651.A O no hydrogen 2.896 N/A GLU 656.A N ARG 652.A O no hydrogen 2.911 N/A ARG 657.A N ALA 653.A O no hydrogen 2.911 N/A ARG 657.A N SER 654.A O no hydrogen 3.183 N/A ARG 657.A NE ASP 592.A OD2 no hydrogen 3.278 N/A ARG 657.A NH2 ASP 592.A OD1 no hydrogen 3.504 N/A MET 658.A N SER 654.A O no hydrogen 2.897 N/A ALA 659.A N LEU 655.A O no hydrogen 2.901 N/A VAL 662.A N MET 658.A O no hydrogen 3.067 N/A ASP 663.A N ALA 659.A O no hydrogen 3.163 N/A ARG 664.A N PRO 660.A O no hydrogen 3.164 N/A GLN 665.A N VAL 662.A O no hydrogen 3.099 N/A ASN 666.A N VAL 662.A O no hydrogen 3.311 N/A ASN 666.A ND2 VAL 662.A O no hydrogen 2.989 N/A TYR 672.A OH ASP 663.A OD1 no hydrogen 2.597 N/A PHE 679.A N PRO 677.A O no hydrogen 2.863 N/A ASP 681.A N ASN 678.A O no hydrogen 3.419 N/A SER 682.A N PHE 679.A O no hydrogen 3.418 N/A LEU 686.A N SER 682.A O no hydrogen 3.024 N/A ALA 687.A N ILE 683.A O no hydrogen 2.896 N/A ALA 688.A N ALA 684.A O no hydrogen 2.929 N/A GLN 689.A N PHE 685.A O no hydrogen 2.902 N/A GLU 690.A N LEU 686.A O no hydrogen 2.896 N/A LEU 691.A N ALA 687.A O no hydrogen 2.907 N/A ILE 692.A N ALA 688.A O no hydrogen 2.940 N/A LEU 693.A N GLN 689.A O no hydrogen 2.894 N/A SER 694.A N GLU 690.A O no hydrogen 3.059 N/A SER 694.A OG GLU 690.A O no hydrogen 2.234 N/A GLY 695.A N ILE 692.A O no hydrogen 3.437 N/A GLN 697.A N SER 694.A O no hydrogen 3.222 N/A GLN 698.A N GLY 695.A O no hydrogen 3.387 N/A GLN 698.A NE2 SER 694.A O no hydrogen 3.091 N/A GLY 701.A N GLN 698.A O no hydrogen 3.027 N/A TYR 702.A N PRO 699.A O no hydrogen 3.100 N/A TYR 702.A OH GLU 428.A OE2 no hydrogen 3.394 N/A GLU 704.A N GLU 704.A OE2 no hydrogen 2.499 N/A LEU 707.A N THR 703.A O no hydrogen 3.206 N/A HIS 708.A N GLU 704.A O no hydrogen 2.912 N/A ARG 709.A N PRO 705.A O no hydrogen 2.918 N/A ARG 710.A N ILE 706.A O no hydrogen 2.902 N/A ARG 710.A NH1 GLU 713.A OE2 no hydrogen 3.145 N/A ARG 711.A N LEU 707.A O no hydrogen 2.910 N/A ARG 711.A NH1 VAL 606.A O no hydrogen 2.732 N/A ARG 711.A NH1 ASP 607.A O no hydrogen 2.765 N/A ARG 712.A N HIS 708.A O no hydrogen 2.916 N/A GLU 713.A N ARG 709.A O no hydrogen 2.912 N/A PHE 714.A N ARG 710.A O no hydrogen 2.895 N/A LYS 715.A N ARG 711.A O no hydrogen 2.918 N/A ALA 716.A N ARG 712.A O no hydrogen 2.918 N/A ARG 717.A N GLU 713.A O no hydrogen 3.042 N/A ARG 717.A NH1 GLU 720.A OE1 no hydrogen 3.520 N/A ALA 719.A N ALA 716.A O no hydrogen 3.493 N/A