Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ddt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 19.A OD2 no hydrogen 3.401 N/A ALA 1.A N GLU 23.A OE1 no hydrogen 2.457 N/A VAL 2.A N ASP 19.A OD2 no hydrogen 3.054 N/A LYS 5.A N PRO 612.A O no hydrogen 2.965 N/A LYS 5.A NZ GLU 604.A OE1 no hydrogen 3.176 N/A TYR 6.A N ASN 17.A O no hydrogen 3.018 N/A TYR 6.A OH ASP 678.A OD1 no hydrogen 2.843 N/A HIS 7.A ND1 TYR 614.A O no hydrogen 3.064 N/A SER 9.A OG TYR 6.A O no hydrogen 2.588 N/A SER 9.A OG ASN 17.A O no hydrogen 3.325 N/A CYS 10.A N GLY 15.A O no hydrogen 3.059 N/A ASN 12.A ND2 THR 49.A O no hydrogen 2.885 N/A ASN 17.A N TYR 6.A O no hydrogen 3.083 N/A ASN 17.A N SER 9.A OG no hydrogen 3.207 N/A ASP 19.A N SER 4.A O no hydrogen 2.888 N/A ARG 21.A NE PRO 27.A O no hydrogen 2.780 N/A ARG 21.A NH2 PRO 27.A O no hydrogen 3.554 N/A ARG 21.A NH2 GLU 34.A O no hydrogen 3.458 N/A ASN 22.A N THR 18.A O no hydrogen 3.347 N/A ASN 22.A ND2 SER 9.A O no hydrogen 3.047 N/A ASN 22.A ND2 LEU 26.A O no hydrogen 3.349 N/A GLU 23.A N ASP 19.A O no hydrogen 2.937 N/A ARG 24.A NH2 GLU 20.A OE2 no hydrogen 3.568 N/A GLY 25.A N ASN 22.A O no hydrogen 2.965 N/A LEU 26.A N ARG 21.A O no hydrogen 2.751 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.796 N/A LEU 32.A N CYS 28.A O no hydrogen 3.031 N/A ALA 43.A N ASP 39.A O no hydrogen 3.039 N/A LEU 44.A N ILE 40.A O no hydrogen 2.882 N/A LEU 45.A N TYR 41.A O no hydrogen 2.929 N/A GLU 46.A N ARG 42.A O no hydrogen 2.905 N/A LYS 48.A N LEU 45.A O no hydrogen 3.290 N/A THR 49.A N LEU 44.A O no hydrogen 2.886 N/A THR 49.A OG1 ARG 47.A O no hydrogen 2.586 N/A LEU 50.A N LEU 44.A O no hydrogen 3.005 N/A LYS 51.A N ASN 12.A OD1 no hydrogen 2.543 N/A GLU 52.A N ASN 12.A O no hydrogen 2.977 N/A TYR 53.A N ASN 12.A OD1 no hydrogen 3.212 N/A ARG 54.A N LYS 51.A O no hydrogen 3.444 N/A HIS 57.A N TYR 53.A O no hydrogen 3.434 N/A GLU 58.A N ARG 54.A O no hydrogen 2.908 N/A PHE 59.A N PHE 55.A O no hydrogen 2.908 N/A TRP 60.A N TYR 56.A O no hydrogen 2.942 N/A ASN 61.A N HIS 57.A O no hydrogen 2.947 N/A GLU 62.A N GLU 58.A O no hydrogen 2.923 N/A TYR 63.A N TRP 60.A O no hydrogen 3.207 N/A GLU 64.A N TRP 60.A O no hydrogen 2.945 N/A ASP 65.A N ASN 61.A O no hydrogen 2.949 N/A ARG 67.A N TYR 63.A O no hydrogen 2.895 N/A ARG 67.A NH1 ASP 77.A OD1 no hydrogen 3.231 N/A SER 68.A N GLU 64.A O no hydrogen 2.907 N/A PHE 69.A N ASP 65.A O no hydrogen 2.932 N/A PHE 70.A N PHE 66.A O no hydrogen 2.917 N/A LYS 71.A N ARG 67.A O no hydrogen 2.884 N/A LYS 72.A N SER 68.A O no hydrogen 2.909 N/A LYS 72.A N PHE 69.A O no hydrogen 3.199 N/A LYS 73.A N PHE 69.A O no hydrogen 2.955 N/A LYS 73.A NZ ASP 145.A OD1 no hydrogen 3.287 N/A THR 79.A N GLN 82.A OE1 no hydrogen 3.260 N/A THR 79.A OG1 ASP 537.A OD1 no hydrogen 3.545 N/A GLN 82.A NE2 GLY 104.A O no hydrogen 3.648 N/A ARG 83.A N THR 79.A O no hydrogen 2.710 N/A ARG 83.A NH1 ASP 660.A OD1 no hydrogen 3.400 N/A ARG 83.A NH2 SER 539.A O no hydrogen 3.069 N/A LEU 84.A N GLY 80.A O no hydrogen 2.929 N/A TRP 85.A N TYR 81.A O no hydrogen 2.927 N/A ALA 86.A N GLN 82.A O no hydrogen 2.883 N/A LYS 87.A N ARG 83.A O no hydrogen 2.958 N/A ARG 88.A N LEU 84.A O no hydrogen 2.924 N/A ARG 88.A NE GLU 658.A OE1 no hydrogen 3.359 N/A ARG 88.A NH1 GLU 574.A OE1 no hydrogen 3.371 N/A ARG 88.A NH2 GLU 574.A OE1 no hydrogen 3.236 N/A ARG 88.A NH2 GLU 574.A OE2 no hydrogen 3.174 N/A ILE 89.A N ALA 86.A O no hydrogen 2.875 N/A VAL 90.A N ALA 86.A O no hydrogen 3.259 N/A GLY 92.A N ILE 89.A O no hydrogen 3.384 N/A LYS 93.A N ARG 88.A O no hydrogen 3.230 N/A LYS 93.A NZ GLU 567.A OE1 no hydrogen 2.738 N/A LYS 93.A NZ GLU 567.A OE2 no hydrogen 3.091 N/A LYS 93.A NZ GLU 658.A OE2 no hydrogen 2.636 N/A PHE 95.A N LEU 252.A O no hydrogen 3.151 N/A THR 96.A OG1 SER 563.A OG no hydrogen 2.409 N/A MET 97.A N VAL 254.A O no hydrogen 2.890 N/A LYS 105.A NZ PRO 100.A O no hydrogen 3.471 N/A PHE 108.A N GLY 104.A O no hydrogen 3.336 N/A GLY 109.A N LYS 105.A O no hydrogen 2.901 N/A MET 110.A N THR 106.A O no hydrogen 2.928 N/A MET 111.A N THR 107.A O no hydrogen 2.937 N/A THR 112.A N PHE 108.A O no hydrogen 2.902 N/A THR 112.A OG1 PHE 108.A O no hydrogen 2.948 N/A ALA 113.A N GLY 109.A O no hydrogen 2.941 N/A LEU 114.A N MET 110.A O no hydrogen 2.924 N/A TRP 115.A N MET 111.A O no hydrogen 2.920 N/A TRP 115.A NE1 ASP 65.A OD2 no hydrogen 2.805 N/A LEU 116.A N THR 112.A O no hydrogen 2.897 N/A ALA 117.A N ALA 113.A O no hydrogen 2.941 N/A ARG 118.A N TRP 115.A O no hydrogen 3.318 N/A LYS 119.A N LEU 116.A O no hydrogen 3.142 N/A LYS 119.A NZ GLU 62.A OE2 no hydrogen 2.660 N/A LYS 122.A N ASP 197.A OD2 no hydrogen 3.307 N/A SER 123.A N HIS 175.A O no hydrogen 2.706 N/A SER 123.A OG ALA 113.A O no hydrogen 3.387 N/A SER 123.A OG HIS 175.A O no hydrogen 3.319 N/A ALA 124.A N PHE 198.A O no hydrogen 2.863 N/A LEU 125.A N LEU 177.A O no hydrogen 2.947 N/A VAL 126.A N PHE 200.A O no hydrogen 2.767 N/A PHE 127.A N PHE 179.A O no hydrogen 3.210 N/A THR 129.A OG1 THR 131.A OG1 no hydrogen 2.888 N/A THR 131.A N THR 129.A OG1 no hydrogen 3.215 N/A THR 131.A OG1 THR 129.A OG1 no hydrogen 2.888 N/A LEU 132.A N THR 129.A OG1 no hydrogen 2.838 N/A LYS 134.A NZ SER 156.A OG no hydrogen 2.586 N/A GLN 135.A N THR 131.A O no hydrogen 3.378 N/A THR 136.A N LEU 132.A O no hydrogen 2.903 N/A THR 136.A OG1 LEU 132.A O no hydrogen 2.706 N/A LEU 137.A N VAL 133.A O no hydrogen 2.913 N/A GLU 138.A N LYS 134.A O no hydrogen 2.916 N/A ARG 139.A N GLN 135.A O no hydrogen 2.926 N/A LEU 140.A N LEU 137.A O no hydrogen 3.227 N/A GLN 141.A N LEU 137.A O no hydrogen 2.925 N/A GLN 141.A NE2 ILE 150.A O no hydrogen 3.681 N/A ALA 144.A N LEU 140.A O no hydrogen 2.840 N/A LYS 149.A NZ ASP 173.A OD1 no hydrogen 2.783 N/A PHE 151.A N ILE 176.A O no hydrogen 3.276 N/A PHE 153.A N VAL 178.A O no hydrogen 3.410 N/A LYS 164.A N GLU 160.A O no hydrogen 2.896 N/A PHE 165.A N GLU 161.A O no hydrogen 2.919 N/A GLU 166.A N LYS 162.A O no hydrogen 2.926 N/A LYS 167.A N GLU 163.A O no hydrogen 2.906 N/A SER 168.A N LYS 164.A O no hydrogen 2.931 N/A SER 168.A OG ASP 173.A O no hydrogen 3.398 N/A PHE 169.A N PHE 165.A O no hydrogen 2.910 N/A GLU 170.A N LYS 167.A O no hydrogen 3.094 N/A ASP 173.A N SER 168.A O no hydrogen 3.296 N/A TYR 174.A OH ASP 172.A OD1 no hydrogen 3.121 N/A HIS 175.A N LYS 149.A O no hydrogen 3.205 N/A ILE 176.A N LYS 149.A O no hydrogen 3.243 N/A LEU 177.A N SER 123.A O no hydrogen 3.144 N/A PHE 179.A N LEU 125.A O no hydrogen 3.183 N/A THR 181.A N PHE 127.A O no hydrogen 3.075 N/A THR 181.A OG1 PHE 127.A O no hydrogen 3.277 N/A PHE 183.A N SER 180.A O no hydrogen 3.141 N/A SER 185.A N THR 181.A O no hydrogen 2.919 N/A SER 185.A OG THR 181.A O no hydrogen 3.485 N/A LYS 186.A N GLN 182.A O no hydrogen 2.917 N/A ASN 187.A N PHE 183.A O no hydrogen 2.789 N/A ARG 188.A N LYS 186.A O no hydrogen 3.093 N/A SER 192.A N ARG 188.A O no hydrogen 2.919 N/A SER 192.A OG ARG 188.A O no hydrogen 2.811 N/A GLN 193.A N GLU 189.A O no hydrogen 2.937 N/A LYS 194.A NZ PHE 169.A O no hydrogen 3.564 N/A LYS 194.A NZ ASP 172.A OD2 no hydrogen 3.480 N/A LYS 194.A NZ GLN 193.A OE1 no hydrogen 3.516 N/A ARG 195.A NH2 LYS 248.A O no hydrogen 3.292 N/A PHE 196.A N MET 220.A O no hydrogen 2.879 N/A ASP 197.A N LYS 122.A O no hydrogen 2.918 N/A VAL 199.A N ILE 251.A O no hydrogen 2.708 N/A PHE 200.A N ALA 124.A O no hydrogen 2.937 N/A VAL 201.A N VAL 253.A O no hydrogen 2.893 N/A ASP 202.A N VAL 126.A O no hydrogen 3.154 N/A VAL 207.A N VAL 204.A O no hydrogen 3.039 N/A LEU 208.A N VAL 204.A O no hydrogen 3.058 N/A ASN 213.A N ALA 210.A O no hydrogen 3.048 N/A ASN 213.A ND2 SER 185.A OG no hydrogen 3.404 N/A ASN 213.A ND2 VAL 207.A O no hydrogen 3.176 N/A ASP 215.A N SER 211.A O no hydrogen 2.977 N/A THR 216.A N ARG 212.A O no hydrogen 2.895 N/A THR 216.A OG1 ARG 212.A O no hydrogen 2.370 N/A LEU 217.A N ASN 213.A O no hydrogen 2.892 N/A LEU 218.A N ILE 214.A O no hydrogen 2.959 N/A MET 219.A N ASP 215.A O no hydrogen 2.920 N/A MET 220.A N LEU 217.A O no hydrogen 2.773 N/A VAL 221.A N LEU 217.A O no hydrogen 2.976 N/A ILE 223.A N LEU 218.A O no hydrogen 3.071 N/A ILE 228.A N PRO 224.A O no hydrogen 3.388 N/A ARG 229.A N GLU 225.A O no hydrogen 2.904 N/A LYS 230.A N GLU 226.A O no hydrogen 2.938 N/A ALA 231.A N ILE 228.A O no hydrogen 3.139 N/A PHE 232.A N ILE 228.A O no hydrogen 2.888 N/A SER 233.A N ARG 229.A O no hydrogen 2.917 N/A THR 234.A N ALA 231.A O no hydrogen 2.913 N/A THR 234.A OG1 LYS 230.A O no hydrogen 3.189 N/A ILE 235.A N ALA 231.A O no hydrogen 2.914 N/A LYS 236.A N PHE 232.A O no hydrogen 3.108 N/A GLY 238.A N THR 234.A O no hydrogen 3.270 N/A GLY 238.A N ILE 235.A O no hydrogen 3.268 N/A ARG 243.A NH1 LEU 272.A O no hydrogen 2.788 N/A ASN 246.A ND2 ASN 246.A O no hydrogen 2.634 N/A ILE 251.A N ASP 197.A O no hydrogen 3.390 N/A LEU 252.A N SER 94.A OG no hydrogen 2.998 N/A VAL 253.A N VAL 199.A O no hydrogen 2.911 N/A VAL 254.A N PHE 95.A O no hydrogen 3.365 N/A SER 255.A OG ASP 202.A O no hydrogen 2.583 N/A SER 256.A OG MET 97.A O no hydrogen 3.465 N/A ALA 257.A N GLY 278.A O no hydrogen 3.455 N/A THR 258.A OG1 ASP 203.A OD1 no hydrogen 3.311 N/A ALA 259.A N ASP 205.A OD2 no hydrogen 2.323 N/A ARG 262.A N LYS 260.A O no hydrogen 2.711 N/A LEU 267.A N ILE 264.A O no hydrogen 3.240 N/A LEU 268.A N ARG 265.A O no hydrogen 2.923 N/A PHE 269.A N PRO 266.A O no hydrogen 2.932 N/A ARG 270.A N LEU 267.A O no hydrogen 2.902 N/A ASP 271.A N LEU 268.A O no hydrogen 2.928 N/A LEU 272.A N LEU 268.A O no hydrogen 2.722 N/A LEU 273.A N PHE 269.A O no hydrogen 3.234 N/A ASN 274.A ND2 ARG 270.A O no hydrogen 3.686 N/A PHE 275.A N PHE 269.A O no hydrogen 2.985 N/A THR 276.A N SER 564.A O no hydrogen 3.218 N/A THR 276.A OG1 SER 564.A O no hydrogen 2.792 N/A ARG 285.A NE GLU 507.A OE2 no hydrogen 3.051 N/A ARG 285.A NH1 GLU 507.A OE1 no hydrogen 2.491 N/A ARG 285.A NH1 GLU 507.A OE2 no hydrogen 3.293 N/A ASN 286.A N SER 472.A OG no hydrogen 3.102 N/A THR 288.A N GLY 482.A O no hydrogen 2.926 N/A HIS 289.A ND1 TYR 464.A OH no hydrogen 2.642 N/A VAL 290.A N SER 484.A O no hydrogen 2.885 N/A ARG 291.A N ILE 510.A O no hydrogen 2.903 N/A ARG 291.A NE GLU 488.A O no hydrogen 2.775 N/A ARG 291.A NH1 GLU 491.A OE1 no hydrogen 3.559 N/A ARG 291.A NH2 GLU 488.A O no hydrogen 2.856 N/A ARG 291.A NH2 GLU 491.A OE1 no hydrogen 2.980 N/A ILE 292.A N ILE 486.A O no hydrogen 2.895 N/A SER 294.A OG SER 293.A O no hydrogen 2.808 N/A ARG 295.A NH1 GLU 320.A OE2 no hydrogen 3.449 N/A LYS 297.A NZ GLU 323.A OE1 no hydrogen 3.134 N/A LYS 297.A NZ GLU 323.A OE2 no hydrogen 2.461 N/A LYS 299.A NZ GLU 512.A OE1 no hydrogen 3.391 N/A LYS 299.A NZ GLU 512.A OE2 no hydrogen 2.793 N/A LEU 300.A N SER 296.A O no hydrogen 3.303 N/A VAL 301.A N LYS 297.A O no hydrogen 2.918 N/A GLU 302.A N GLU 298.A O no hydrogen 2.930 N/A LEU 303.A N LYS 299.A O no hydrogen 2.914 N/A LEU 304.A N LEU 300.A O no hydrogen 2.891 N/A GLU 305.A N VAL 301.A O no hydrogen 2.908 N/A ILE 306.A N GLU 302.A O no hydrogen 2.941 N/A PHE 307.A N LEU 303.A O no hydrogen 2.885 N/A ARG 308.A N LEU 304.A O no hydrogen 3.079 N/A ASP 309.A N PHE 307.A O no hydrogen 2.820 N/A GLY 310.A N ASN 355.A O no hydrogen 3.302 N/A ILE 311.A N ASN 355.A O no hydrogen 3.097 N/A LEU 312.A N TYR 379.A O no hydrogen 2.934 N/A ILE 313.A N LEU 357.A O no hydrogen 2.848 N/A PHE 314.A N ILE 381.A O no hydrogen 2.606 N/A ALA 315.A N GLY 359.A O no hydrogen 3.034 N/A GLN 316.A N GLU 320.A OE1 no hydrogen 3.092 N/A GLN 316.A NE2 GLN 361.A OE1 no hydrogen 3.009 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.832 N/A GLY 321.A N THR 317.A O no hydrogen 3.390 N/A LYS 322.A N GLU 318.A O no hydrogen 2.898 N/A GLU 323.A N GLU 319.A O no hydrogen 2.904 N/A LEU 324.A N GLU 320.A O no hydrogen 2.926 N/A TYR 325.A N GLY 321.A O no hydrogen 2.921 N/A GLU 326.A N LYS 322.A O no hydrogen 2.898 N/A TYR 327.A N GLU 323.A O no hydrogen 2.943 N/A LEU 328.A N LEU 324.A O no hydrogen 2.923 N/A LYS 329.A N TYR 325.A O no hydrogen 2.910 N/A LYS 329.A N GLU 326.A O no hydrogen 3.329 N/A LYS 329.A NZ TYR 325.A OH no hydrogen 3.153 N/A PHE 331.A N LEU 328.A O no hydrogen 3.386 N/A GLY 336.A N ILE 356.A O no hydrogen 2.940 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.975 N/A THR 338.A OG1 ILE 358.A O no hydrogen 3.043 N/A GLU 341.A N GLU 337.A OE2 no hydrogen 2.966 N/A ASN 345.A ND2 GLU 337.A O no hydrogen 2.970 N/A PHE 346.A N PHE 342.A O no hydrogen 2.794 N/A GLU 347.A N GLU 343.A O no hydrogen 2.924 N/A PHE 349.A N ASN 345.A O no hydrogen 2.913 N/A LYS 350.A N PHE 346.A O no hydrogen 2.752 N/A VAL 351.A N ASP 348.A O no hydrogen 3.022 N/A GLY 352.A N ASP 348.A O no hydrogen 2.750 N/A LYS 353.A N ASP 348.A O no hydrogen 3.205 N/A ASN 355.A N ASN 334.A O no hydrogen 3.121 N/A ASN 355.A ND2 ASP 309.A OD1 no hydrogen 2.922 N/A ILE 356.A N ASN 334.A O no hydrogen 3.189 N/A LEU 357.A N ILE 311.A O no hydrogen 3.031 N/A ILE 358.A N GLY 336.A O no hydrogen 3.047 N/A GLY 359.A N ILE 313.A O no hydrogen 3.011 N/A TYR 364.A N VAL 360.A O no hydrogen 3.260 N/A GLY 365.A N GLN 361.A O no hydrogen 2.946 N/A LYS 366.A N ALA 362.A O no hydrogen 2.930 N/A LYS 366.A N TYR 363.A O no hydrogen 3.240 N/A LEU 367.A N TYR 363.A O no hydrogen 2.915 N/A THR 368.A N TYR 364.A O no hydrogen 2.913 N/A ARG 376.A NE PHE 349.A O no hydrogen 3.060 N/A ARG 376.A NH2 ASP 309.A OD1 no hydrogen 2.809 N/A ARG 376.A NH2 ILE 354.A O no hydrogen 3.505 N/A LYS 378.A N GLY 310.A O no hydrogen 2.961 N/A TYR 379.A N GLY 310.A O no hydrogen 3.185 N/A VAL 380.A N VAL 483.A O no hydrogen 2.913 N/A ILE 381.A N LEU 312.A O no hydrogen 2.538 N/A PHE 382.A N VAL 485.A O no hydrogen 2.726 N/A TRP 383.A N PHE 314.A O no hydrogen 2.810 N/A THR 385.A N GLU 488.A OE1 no hydrogen 2.732 N/A THR 385.A OG1 GLU 488.A OE1 no hydrogen 3.225 N/A SER 387.A OG THR 385.A O no hydrogen 3.485 N/A MET 388.A N ILE 458.A O no hydrogen 2.885 N/A PHE 390.A N LEU 456.A O no hydrogen 2.886 N/A SER 391.A OG GLU 393.A OE2 no hydrogen 2.241 N/A LEU 392.A N LEU 454.A O no hydrogen 3.421 N/A LEU 394.A N GLN 433.A OE1 no hydrogen 2.956 N/A LEU 402.A N PRO 398.A O no hydrogen 3.472 N/A ALA 403.A N ARG 399.A O no hydrogen 2.899 N/A ARG 404.A N PHE 400.A O no hydrogen 2.940 N/A VAL 405.A N VAL 401.A O no hydrogen 2.940 N/A LEU 406.A N LEU 402.A O no hydrogen 2.884 N/A LYS 407.A N ALA 403.A O no hydrogen 2.907 N/A LYS 407.A NZ GLN 415.A O no hydrogen 3.112 N/A GLU 408.A N ARG 404.A O no hydrogen 2.982 N/A MET 409.A N VAL 405.A O no hydrogen 2.897 N/A MET 409.A N LEU 406.A O no hydrogen 3.199 N/A LEU 411.A N GLU 429.A OE1 no hydrogen 3.290 N/A ILE 412.A N GLY 410.A O no hydrogen 2.960 N/A ASN 417.A ND2 LYS 413.A O no hydrogen 3.255 N/A GLU 422.A N PRO 418.A O no hydrogen 3.049 N/A LEU 423.A N ASP 419.A O no hydrogen 2.920 N/A ARG 424.A N VAL 420.A O no hydrogen 2.908 N/A LYS 425.A N GLU 421.A O no hydrogen 2.905 N/A ILE 426.A N GLU 422.A O no hydrogen 2.917 N/A HIS 430.A ND1 ILE 426.A O no hydrogen 2.432 N/A GLN 433.A NE2 GLN 433.A O no hydrogen 3.679 N/A GLU 435.A N THR 432.A OG1 no hydrogen 2.686 N/A PHE 436.A N THR 432.A O no hydrogen 3.059 N/A VAL 437.A N GLN 433.A O no hydrogen 2.925 N/A GLU 438.A N LYS 434.A O no hydrogen 2.899 N/A LYS 439.A N GLU 435.A O no hydrogen 2.896 N/A VAL 440.A N PHE 436.A O no hydrogen 2.925 N/A LYS 441.A N VAL 437.A O no hydrogen 2.900 N/A LYS 441.A NZ ASP 451.A OD2 no hydrogen 2.759 N/A GLU 442.A N GLU 438.A O no hydrogen 2.918 N/A MET 443.A N LYS 439.A O no hydrogen 2.890 N/A PHE 444.A N VAL 440.A O no hydrogen 2.921 N/A ARG 445.A NH2 LYS 441.A O no hydrogen 3.358 N/A VAL 448.A N ILE 457.A O no hydrogen 3.003 N/A LYS 450.A N GLU 455.A O no hydrogen 2.891 N/A LYS 450.A NZ ASP 490.A OD2 no hydrogen 3.118 N/A ASP 451.A N ASP 451.A OD1 no hydrogen 2.477 N/A GLU 455.A N LYS 450.A O no hydrogen 2.908 N/A LEU 456.A N PHE 390.A O no hydrogen 2.899 N/A ILE 457.A N VAL 448.A O no hydrogen 2.843 N/A ILE 458.A N MET 388.A O no hydrogen 2.918 N/A THR 463.A N ASP 460.A OD1 no hydrogen 3.282 N/A THR 463.A OG1 ASP 460.A OD2 no hydrogen 2.890 N/A TYR 464.A N ASP 460.A O no hydrogen 3.150 N/A TYR 464.A OH HIS 289.A ND1 no hydrogen 2.642 N/A TYR 464.A OH SER 484.A OG no hydrogen 3.049 N/A ILE 465.A N VAL 461.A O no hydrogen 2.900 N/A GLN 466.A N TYR 462.A O no hydrogen 2.926 N/A ALA 467.A N THR 463.A O no hydrogen 2.941 N/A SER 468.A N TYR 464.A O no hydrogen 2.885 N/A GLY 469.A N ILE 465.A O no hydrogen 2.875 N/A ARG 470.A N ALA 467.A O no hydrogen 3.345 N/A ARG 470.A NE ASP 372.A OD1 no hydrogen 3.184 N/A SER 471.A N SER 468.A O no hydrogen 3.117 N/A SER 471.A OG SER 468.A O no hydrogen 3.000 N/A SER 472.A OG ASN 286.A O no hydrogen 3.143 N/A SER 472.A OG VAL 480.A O no hydrogen 2.511 N/A LEU 475.A N VAL 478.A O no hydrogen 3.374 N/A ASN 476.A ND2 SER 531.A O no hydrogen 3.531 N/A LYS 481.A N SER 527.A OG no hydrogen 3.137 N/A LYS 481.A NZ GLU 523.A OE1 no hydrogen 3.013 N/A GLY 482.A N ASN 286.A O no hydrogen 2.900 N/A VAL 483.A N LYS 378.A O no hydrogen 3.348 N/A SER 484.A N THR 288.A O no hydrogen 2.914 N/A SER 484.A OG TYR 464.A OH no hydrogen 3.049 N/A VAL 485.A N VAL 380.A O no hydrogen 2.761 N/A ILE 486.A N VAL 290.A O no hydrogen 2.902 N/A PHE 487.A N PHE 382.A O no hydrogen 2.845 N/A ASP 490.A N GLU 488.A OE2 no hydrogen 3.278 N/A PHE 494.A N ASP 490.A O no hydrogen 3.261 N/A GLU 495.A N GLU 491.A O no hydrogen 2.897 N/A SER 496.A N GLU 492.A O no hydrogen 2.921 N/A SER 496.A OG GLY 446.A O no hydrogen 3.108 N/A LEU 497.A N ILE 493.A O no hydrogen 2.957 N/A LYS 498.A N PHE 494.A O no hydrogen 2.890 N/A LYS 498.A NZ ILE 509.A O no hydrogen 3.321 N/A THR 499.A N GLU 495.A O no hydrogen 2.938 N/A THR 499.A OG1 SER 496.A O no hydrogen 3.182 N/A ARG 500.A N SER 496.A O no hydrogen 2.957 N/A ARG 500.A NE SER 496.A OG no hydrogen 2.988 N/A ARG 500.A NH1 GLY 446.A O no hydrogen 3.084 N/A ARG 500.A NH1 GLU 910.A OE1 no hydrogen 3.019 N/A ARG 500.A NH2 GLU 910.A OE1 no hydrogen 2.983 N/A ARG 500.A NH2 GLU 910.A OE2 no hydrogen 2.614 N/A LEU 501.A N LEU 497.A O no hydrogen 2.888 N/A LEU 502.A N LYS 498.A O no hydrogen 2.916 N/A LEU 503.A N THR 499.A O no hydrogen 2.894 N/A ILE 504.A N ARG 500.A O no hydrogen 2.964 N/A ALA 505.A N LEU 501.A O no hydrogen 2.932 N/A GLU 506.A N LEU 502.A O no hydrogen 3.140 N/A ILE 510.A N HIS 289.A O no hydrogen 2.902 N/A GLU 514.A N GLU 511.A O no hydrogen 3.351 N/A ALA 515.A N GLU 512.A O no hydrogen 3.142 N/A LEU 520.A N ASN 516.A O no hydrogen 3.178 N/A VAL 521.A N TRP 517.A O no hydrogen 2.915 N/A HIS 522.A N LYS 518.A O no hydrogen 2.904 N/A GLU 523.A N GLU 519.A O no hydrogen 2.900 N/A VAL 524.A N LEU 520.A O no hydrogen 2.928 N/A GLU 525.A N VAL 521.A O no hydrogen 2.915 N/A GLU 526.A N HIS 522.A O no hydrogen 2.902 N/A SER 527.A N GLU 523.A O no hydrogen 2.941 N/A SER 527.A OG GLU 523.A O no hydrogen 3.373 N/A SER 527.A OG VAL 524.A O no hydrogen 3.036 N/A ARG 528.A N VAL 524.A O no hydrogen 2.928 N/A ARG 528.A NH1 SER 471.A O no hydrogen 3.119 N/A ARG 528.A NH2 SER 471.A O no hydrogen 3.350 N/A ARG 529.A N GLU 525.A O no hydrogen 2.920 N/A ARG 530.A N GLU 526.A O no hydrogen 2.899 N/A SER 531.A N SER 527.A O no hydrogen 2.975 N/A SER 531.A N ARG 528.A O no hydrogen 3.274 N/A SER 531.A OG ARG 528.A O no hydrogen 2.339 N/A GLU 532.A N ARG 529.A O no hydrogen 3.019 N/A ARG 533.A N ARG 530.A O no hydrogen 3.391 N/A THR 536.A OG1 THR 536.A O no hydrogen 2.414 N/A ARG 540.A N GLU 579.A O no hydrogen 2.996 N/A SER 541.A N ASP 660.A OD2 no hydrogen 2.979 N/A SER 541.A OG ASP 660.A OD2 no hydrogen 2.775 N/A LEU 542.A N VAL 581.A O no hydrogen 2.931 N/A LEU 543.A N GLU 661.A O no hydrogen 3.015 N/A ILE 544.A N LEU 583.A O no hydrogen 2.617 N/A ILE 545.A N LEU 663.A O no hydrogen 2.970 N/A VAL 546.A N THR 585.A O no hydrogen 3.091 N/A GLU 547.A N GLU 547.A OE1 no hydrogen 2.585 N/A SER 548.A OG GLU 844.A OE2 no hydrogen 3.184 N/A LYS 551.A NZ ALA 665.A O no hydrogen 3.098 N/A LYS 551.A NZ ASP 667.A OD1 no hydrogen 2.890 N/A ALA 552.A N SER 548.A O no hydrogen 3.356 N/A GLU 553.A N PRO 549.A O no hydrogen 2.930 N/A THR 554.A N THR 550.A O no hydrogen 2.960 N/A THR 554.A OG1 THR 550.A O no hydrogen 3.391 N/A THR 554.A OG1 LYS 551.A O no hydrogen 3.360 N/A THR 554.A OG1 GLU 844.A O no hydrogen 2.827 N/A LEU 555.A N ALA 552.A O no hydrogen 3.239 N/A SER 556.A N ALA 552.A O no hydrogen 2.912 N/A SER 556.A OG GLU 553.A O no hydrogen 2.701 N/A ARG 557.A N GLU 553.A O no hydrogen 2.944 N/A PHE 558.A N LEU 555.A O no hydrogen 3.331 N/A LEU 559.A N LEU 555.A O no hydrogen 2.897 N/A GLY 560.A N SER 556.A O no hydrogen 2.777 N/A ARG 561.A NH1 SER 564.A OG no hydrogen 2.994 N/A ALA 562.A N GLU 574.A O no hydrogen 3.193 N/A SER 563.A OG THR 96.A OG1 no hydrogen 2.409 N/A SER 563.A OG THR 276.A O no hydrogen 3.130 N/A SER 564.A OG HIS 573.A ND1 no hydrogen 3.059 N/A ARG 565.A N VAL 572.A O no hydrogen 2.881 N/A ARG 565.A NE ASN 274.A O no hydrogen 2.943 N/A LYS 566.A N ASN 274.A O no hydrogen 3.138 N/A LYS 566.A NZ TYR 241.A O no hydrogen 3.339 N/A GLU 567.A N ARG 565.A O no hydrogen 2.964 N/A ASN 569.A ND2 ASP 643.A OD1 no hydrogen 3.302 N/A ILE 570.A N GLU 567.A O no hydrogen 2.909 N/A VAL 572.A N ARG 565.A O no hydrogen 2.915 N/A HIS 573.A N PHE 584.A O no hydrogen 2.915 N/A HIS 573.A ND1 SER 564.A OG no hydrogen 3.059 N/A GLU 574.A N SER 563.A O no hydrogen 3.117 N/A ALA 575.A N ILE 582.A O no hydrogen 2.890 N/A THR 577.A N GLY 580.A O no hydrogen 2.878 N/A GLY 580.A N THR 577.A O no hydrogen 3.463 N/A VAL 581.A N ARG 540.A O no hydrogen 2.984 N/A ILE 582.A N ALA 575.A O no hydrogen 2.903 N/A LEU 583.A N LEU 542.A O no hydrogen 2.643 N/A PHE 584.A N HIS 573.A O no hydrogen 2.904 N/A THR 585.A N ILE 544.A O no hydrogen 3.206 N/A THR 585.A OG1 ILE 571.A O no hydrogen 2.931 N/A THR 587.A N VAL 546.A O no hydrogen 2.655 N/A THR 587.A OG1 VAL 546.A O no hydrogen 3.003 N/A ARG 588.A NH1 ASP 643.A OD2 no hydrogen 3.116 N/A ARG 588.A NH2 ASN 569.A O no hydrogen 3.064 N/A ARG 588.A NH2 ASP 643.A OD1 no hydrogen 3.353 N/A GLY 589.A N GLU 547.A O no hydrogen 2.862 N/A HIS 590.A NE2 GLU 671.A OE1 no hydrogen 3.168 N/A ASP 593.A N ASN 615.A O no hydrogen 2.935 N/A LEU 594.A N ASP 593.A OD1 no hydrogen 2.663 N/A VAL 595.A N VAL 613.A O no hydrogen 3.045 N/A ILE 600.A N VAL 603.A O no hydrogen 3.124 N/A VAL 603.A N ILE 600.A O no hydrogen 3.222 N/A GLU 604.A N VAL 611.A O no hydrogen 2.975 N/A GLU 606.A N LYS 609.A O no hydrogen 3.301 N/A LYS 609.A N GLU 606.A O no hydrogen 3.138 N/A VAL 611.A N GLU 604.A O no hydrogen 2.877 N/A TYR 614.A N LYS 5.A O no hydrogen 2.658 N/A ASN 615.A N ASP 593.A O no hydrogen 2.928 N/A SER 616.A N ASN 615.A OD1 no hydrogen 2.738 N/A SER 616.A OG ASN 615.A OD1 no hydrogen 3.492 N/A LEU 617.A N VAL 591.A O no hydrogen 2.760 N/A LYS 618.A N PHE 627.A O no hydrogen 2.914 N/A LYS 618.A NZ ASP 630.A OD1 no hydrogen 2.737 N/A LYS 618.A NZ ASP 644.A OD2 no hydrogen 3.528 N/A ARG 619.A N ASP 643.A O no hydrogen 2.912 N/A CYS 620.A N TYR 625.A O no hydrogen 2.862 N/A ARG 621.A NH1 ASN 641.A OD1 no hydrogen 3.221 N/A PHE 627.A N LYS 618.A O no hydrogen 2.857 N/A THR 628.A N GLU 629.A OE2 no hydrogen 3.429 N/A CYS 634.A N SER 639.A O no hydrogen 2.965 N/A SER 638.A N CYS 634.A O no hydrogen 2.892 N/A SER 639.A OG ASP 622.A OD2 no hydrogen 2.335 N/A ASN 641.A N SER 639.A OG no hydrogen 3.200 N/A ILE 642.A N LYS 640.A O no hydrogen 2.861 N/A ASP 643.A N ARG 619.A O no hydrogen 2.856 N/A LYS 645.A NZ THR 587.A O no hydrogen 3.262 N/A LYS 645.A NZ ASP 643.A OD2 no hydrogen 3.343 N/A THR 646.A N ASP 644.A OD1 no hydrogen 2.907 N/A THR 648.A OG1 ASN 569.A OD1 no hydrogen 2.549 N/A LEU 649.A N LYS 645.A O no hydrogen 2.995 N/A ARG 650.A N THR 646.A O no hydrogen 2.957 N/A ALA 651.A N GLU 647.A O no hydrogen 2.938 N/A LEU 652.A N THR 648.A O no hydrogen 2.903 N/A ARG 653.A N LEU 649.A O no hydrogen 2.917 N/A ARG 653.A N ARG 650.A O no hydrogen 2.965 N/A GLU 654.A N ARG 650.A O no hydrogen 2.992 N/A ILE 655.A N ALA 651.A O no hydrogen 2.923 N/A SER 656.A N LEU 652.A O no hydrogen 2.893 N/A SER 656.A OG SER 686.A OG no hydrogen 3.342 N/A SER 656.A OG THR 687.A OG1 no hydrogen 3.157 N/A LEU 657.A N ARG 653.A O no hydrogen 2.935 N/A GLU 658.A N GLU 654.A O no hydrogen 3.036 N/A GLU 661.A N SER 541.A O no hydrogen 3.276 N/A ILE 662.A N SER 689.A O no hydrogen 2.691 N/A LEU 663.A N LEU 543.A O no hydrogen 2.750 N/A VAL 664.A N ARG 691.A O no hydrogen 2.871 N/A ALA 665.A N ILE 545.A O no hydrogen 2.750 N/A THR 666.A OG1 GLY 672.A O no hydrogen 2.384 N/A GLY 672.A N ASP 669.A OD1 no hydrogen 3.160 N/A GLU 673.A N ASP 669.A O no hydrogen 3.050 N/A LYS 674.A N VAL 670.A O no hydrogen 2.919 N/A LYS 674.A NZ ASP 678.A OD1 no hydrogen 3.555 N/A ILE 675.A N GLU 671.A O no hydrogen 3.004 N/A SER 676.A N GLY 672.A O no hydrogen 2.882 N/A TRP 677.A N GLU 673.A O no hydrogen 2.917 N/A TRP 677.A NE1 ASP 19.A OD1 no hydrogen 3.096 N/A ASP 678.A N LYS 674.A O no hydrogen 2.862 N/A VAL 679.A N ILE 675.A O no hydrogen 2.985 N/A THR 680.A N SER 676.A O no hydrogen 2.893 N/A THR 680.A OG1 SER 676.A O no hydrogen 3.196 N/A THR 680.A OG1 TRP 677.A O no hydrogen 3.216 N/A GLN 681.A N TRP 677.A O no hydrogen 2.895 N/A TYR 682.A N ASP 678.A O no hydrogen 2.944 N/A LEU 683.A N VAL 679.A O no hydrogen 2.892 N/A SER 686.A N LEU 683.A O no hydrogen 2.838 N/A SER 686.A OG SER 656.A OG no hydrogen 3.342 N/A THR 687.A N LEU 683.A O no hydrogen 3.226 N/A THR 687.A OG1 SER 656.A O no hydrogen 3.118 N/A THR 687.A OG1 SER 656.A OG no hydrogen 3.157 N/A ARG 688.A NH1 GLU 23.A O no hydrogen 3.183 N/A ARG 688.A NH2 ARG 24.A O no hydrogen 2.896 N/A SER 689.A OG ASP 660.A O no hydrogen 3.502 N/A ARG 691.A N ILE 662.A O no hydrogen 2.934 N/A ARG 691.A NH2 GLU 661.A OE2 no hydrogen 2.921 N/A ARG 692.A N ARG 711.A O no hydrogen 2.669 N/A ARG 692.A NE GLU 673.A OE1 no hydrogen 2.375 N/A ARG 692.A NH1 VAL 664.A O no hydrogen 3.526 N/A ARG 692.A NH1 THR 666.A O no hydrogen 2.665 N/A ARG 692.A NH2 THR 666.A O no hydrogen 3.199 N/A ARG 692.A NH2 ASP 667.A O no hydrogen 2.510 N/A ILE 693.A N VAL 664.A O no hydrogen 3.181 N/A HIS 696.A ND1 GLU 694.A O no hydrogen 2.924 N/A THR 699.A OG1 GLU 697.A OE2 no hydrogen 2.928 N/A ARG 700.A N GLU 506.A OE1 no hydrogen 3.039 N/A ARG 700.A NH2 ILE 504.A O no hydrogen 3.246 N/A GLY 702.A N THR 699.A OG1 no hydrogen 3.213 N/A PHE 703.A N THR 699.A O no hydrogen 2.842 N/A LYS 704.A N ARG 700.A O no hydrogen 2.901 N/A LYS 705.A N TYR 701.A O no hydrogen 2.906 N/A LYS 705.A NZ TYR 701.A OH no hydrogen 3.442 N/A ALA 706.A N GLY 702.A O no hydrogen 2.906 N/A ARG 707.A N PHE 703.A O no hydrogen 2.901 N/A ARG 707.A NH1 GLU 579.A OE2 no hydrogen 2.821 N/A ARG 707.A NH2 GLU 579.A OE2 no hydrogen 3.178 N/A GLU 708.A N LYS 704.A O no hydrogen 2.932 N/A ARG 711.A N ARG 692.A O no hydrogen 3.196 N/A ARG 711.A NE GLU 694.A OE1 no hydrogen 3.016 N/A ARG 711.A NH1 GLU 673.A OE2 no hydrogen 2.992 N/A ARG 711.A NH1 PHE 712.A O no hydrogen 2.973 N/A ARG 711.A NH2 GLU 673.A OE1 no hydrogen 3.022 N/A ARG 711.A NH2 GLU 673.A OE2 no hydrogen 3.423 N/A ARG 711.A NH2 GLU 694.A OE1 no hydrogen 2.465 N/A ASP 714.A N GLU 673.A OE2 no hydrogen 2.887 N/A LYS 719.A N PHE 715.A O no hydrogen 2.879 N/A ALA 720.A N ASN 716.A O no hydrogen 2.937 N/A GLN 721.A N LEU 717.A O no hydrogen 2.922 N/A ILE 722.A N VAL 718.A O no hydrogen 2.894 N/A VAL 723.A N LYS 719.A O no hydrogen 2.909 N/A ARG 724.A N ALA 720.A O no hydrogen 2.938 N/A ARG 725.A N GLN 721.A O no hydrogen 2.925 N/A ARG 725.A NE ASP 593.A OD1 no hydrogen 3.335 N/A ARG 725.A NH1 ASP 593.A OD1 no hydrogen 3.292 N/A ARG 725.A NH1 ASP 593.A OD2 no hydrogen 3.039 N/A VAL 726.A N ILE 722.A O no hydrogen 2.875 N/A GLN 727.A N VAL 723.A O no hydrogen 2.915 N/A ASP 728.A N ARG 724.A O no hydrogen 2.985 N/A ARG 729.A N ARG 725.A O no hydrogen 2.898 N/A ARG 729.A NE HIS 601.A O no hydrogen 2.967 N/A TRP 730.A N VAL 726.A O no hydrogen 2.888 N/A TRP 730.A NE1 ILE 600.A O no hydrogen 3.057 N/A ILE 731.A N GLN 727.A O no hydrogen 2.920 N/A GLY 732.A N ASP 728.A O no hydrogen 2.939 N/A PHE 733.A N ARG 729.A O no hydrogen 2.914 N/A GLU 734.A N TRP 730.A O no hydrogen 2.926 N/A LEU 735.A N ILE 731.A O no hydrogen 2.925 N/A SER 736.A N GLY 732.A O no hydrogen 2.895 N/A SER 736.A OG SER 746.A O no hydrogen 3.353 N/A GLY 737.A N PHE 733.A O no hydrogen 2.902 N/A LYS 738.A N GLU 734.A O no hydrogen 2.904 N/A LEU 739.A N LEU 735.A O no hydrogen 2.952 N/A GLN 740.A N SER 736.A O no hydrogen 2.906 N/A GLN 740.A NE2 SER 746.A O no hydrogen 3.146 N/A ARG 742.A N LEU 739.A O no hydrogen 3.177 N/A PHE 743.A N LEU 739.A O no hydrogen 3.130 N/A LEU 748.A N SER 736.A OG no hydrogen 3.160 N/A ALA 750.A N GLN 754.A OE1 no hydrogen 2.829 N/A ARG 752.A NE TYR 1062.A O no hydrogen 3.009 N/A GLN 754.A NE2 LEU 748.A O no hydrogen 3.392 N/A SER 755.A OG GLY 751.A O no hydrogen 3.334 N/A THR 756.A N ARG 752.A O no hydrogen 2.939 N/A THR 756.A OG1 ARG 752.A O no hydrogen 3.012 N/A THR 756.A OG1 VAL 1063.A O no hydrogen 2.695 N/A THR 756.A OG1 THR 1068.A OG1 no hydrogen 2.998 N/A VAL 757.A N VAL 753.A O no hydrogen 2.928 N/A LEU 758.A N GLN 754.A O no hydrogen 2.946 N/A GLY 759.A N SER 755.A O no hydrogen 2.909 N/A TRP 760.A N THR 756.A O no hydrogen 2.959 N/A ILE 761.A N VAL 757.A O no hydrogen 2.940 N/A VAL 762.A N LEU 758.A O no hydrogen 2.884 N/A GLU 763.A N GLY 759.A O no hydrogen 2.931 N/A ARG 764.A N TRP 760.A O no hydrogen 2.911 N/A TYR 768.A N ARG 764.A O no hydrogen 2.877 N/A LYS 769.A N GLU 765.A O no hydrogen 2.990 N/A LYS 770.A N GLU 766.A O no hydrogen 2.908 N/A SER 771.A N GLU 767.A O no hydrogen 3.266 N/A GLU 772.A N LYS 770.A O no hydrogen 2.764 N/A PHE 775.A N TYR 993.A O no hydrogen 2.887 N/A THR 776.A N VAL 788.A O no hydrogen 2.879 N/A THR 776.A OG1 LYS 991.A O no hydrogen 3.517 N/A LEU 777.A N LYS 991.A O no hydrogen 2.906 N/A LEU 778.A N LEU 786.A O no hydrogen 2.909 N/A LEU 780.A N VAL 784.A O no hydrogen 3.355 N/A VAL 788.A N THR 776.A O no hydrogen 2.941 N/A GLY 790.A N ASP 774.A O no hydrogen 2.996 N/A VAL 797.A N TYR 985.A O no hydrogen 2.904 N/A THR 798.A N ASP 949.A O no hydrogen 2.965 N/A VAL 799.A N ARG 983.A O no hydrogen 3.201 N/A VAL 800.A N THR 947.A O no hydrogen 2.866 N/A GLU 801.A N THR 947.A O no hydrogen 3.204 N/A ALA 805.A N LYS 943.A O no hydrogen 2.898 N/A GLU 807.A N VAL 941.A O no hydrogen 2.847 N/A LYS 809.A N VAL 939.A O no hydrogen 2.937 N/A THR 816.A OG1 SER 819.A OG no hydrogen 3.157 N/A THR 817.A N THR 853.A O no hydrogen 3.028 N/A THR 817.A OG1 HIS 851.A O no hydrogen 3.218 N/A THR 817.A OG1 THR 853.A O no hydrogen 2.642 N/A SER 819.A OG THR 816.A OG1 no hydrogen 3.157 N/A ALA 820.A N THR 816.A O no hydrogen 2.804 N/A LEU 821.A N THR 817.A O no hydrogen 2.929 N/A SER 822.A N SER 818.A O no hydrogen 2.920 N/A SER 822.A OG SER 818.A O no hydrogen 2.869 N/A SER 822.A OG ALA 1004.A O no hydrogen 3.150 N/A SER 822.A OG GLU 1008.A OE1 no hydrogen 3.488 N/A GLU 823.A N SER 819.A O no hydrogen 2.922 N/A ILE 824.A N ALA 820.A O no hydrogen 2.922 N/A SER 825.A N LEU 821.A O no hydrogen 2.940 N/A SER 825.A OG LEU 821.A O no hydrogen 2.648 N/A SER 825.A OG SER 822.A O no hydrogen 3.047 N/A GLN 826.A N SER 822.A O no hydrogen 2.919 N/A GLN 826.A NE2 GLN 826.A O no hydrogen 3.599 N/A LYS 827.A N GLU 823.A O no hydrogen 2.914 N/A LYS 827.A NZ TYR 815.A OH no hydrogen 3.369 N/A LYS 827.A NZ GLU 823.A OE1 no hydrogen 3.166 N/A LEU 828.A N ILE 824.A O no hydrogen 2.942 N/A ARG 829.A NH2 GLN 826.A O no hydrogen 3.338 N/A VAL 832.A N GLN 1003.A OE1 no hydrogen 2.875 N/A VAL 835.A N GLY 831.A O no hydrogen 3.168 N/A MET 836.A N VAL 832.A O no hydrogen 2.911 N/A ASP 837.A N GLN 833.A O no hydrogen 2.923 N/A ILE 838.A N GLU 834.A O no hydrogen 2.915 N/A LEU 839.A N VAL 835.A O no hydrogen 2.896 N/A GLN 840.A N MET 836.A O no hydrogen 2.934 N/A GLN 840.A NE2 GLU 844.A OE2 no hydrogen 3.157 N/A ASP 841.A N ASP 837.A O no hydrogen 2.913 N/A LEU 842.A N ILE 838.A O no hydrogen 2.897 N/A LEU 842.A N LEU 839.A O no hydrogen 3.166 N/A PHE 843.A N LEU 839.A O no hydrogen 2.906 N/A GLU 844.A N GLN 840.A O no hydrogen 2.923 N/A GLY 846.A N PHE 843.A O no hydrogen 2.932 N/A PHE 847.A N LEU 842.A O no hydrogen 2.878 N/A THR 849.A N ARG 894.A O no hydrogen 3.082 N/A THR 849.A OG1 ALA 892.A O no hydrogen 2.512 N/A ARG 852.A NE ASP 669.A OD2 no hydrogen 3.294 N/A ARG 852.A NH2 ASP 669.A OD2 no hydrogen 3.007 N/A THR 853.A N THR 817.A OG1 no hydrogen 2.666 N/A THR 853.A OG1 SER 855.A O no hydrogen 3.459 N/A THR 853.A OG1 GLU 891.A O no hydrogen 3.320 N/A SER 855.A N THR 853.A OG1 no hydrogen 3.191 N/A SER 855.A OG GLU 887.A O no hydrogen 3.144 N/A ARG 857.A N SER 855.A OG no hydrogen 3.232 N/A ILE 858.A N SER 883.A O no hydrogen 3.166 N/A SER 859.A OG GLU 891.A OE2 no hydrogen 3.094 N/A GLN 863.A N SER 859.A O no hydrogen 3.115 N/A GLN 863.A NE2 GLN 935.A OE1 no hydrogen 2.564 N/A ASN 864.A N LEU 860.A O no hydrogen 2.921 N/A VAL 865.A N GLU 861.A O no hydrogen 2.902 N/A ALA 866.A N GLY 862.A O no hydrogen 2.964 N/A ARG 867.A N GLN 863.A O no hydrogen 2.878 N/A ARG 867.A NE ASN 864.A OD1 no hydrogen 2.984 N/A ARG 867.A NH1 ASN 864.A OD1 no hydrogen 2.961 N/A THR 868.A N ASN 864.A O no hydrogen 2.918 N/A THR 868.A OG1 ASN 864.A O no hydrogen 3.120 N/A THR 868.A OG1 VAL 865.A O no hydrogen 3.003 N/A TYR 869.A N VAL 865.A O no hydrogen 2.975 N/A TYR 869.A OH ASP 900.A OD2 no hydrogen 2.721 N/A LEU 870.A N ALA 866.A O no hydrogen 2.912 N/A ARG 871.A N ARG 867.A O no hydrogen 2.858 N/A LYS 872.A N THR 868.A O no hydrogen 2.945 N/A LYS 872.A NZ PRO 898.A O no hydrogen 2.792 N/A LYS 872.A NZ GLU 903.A OE1 no hydrogen 2.906 N/A LYS 872.A NZ GLU 903.A OE2 no hydrogen 3.157 N/A ILE 873.A N TYR 869.A O no hydrogen 2.804 N/A GLY 874.A N ARG 871.A O no hydrogen 3.353 N/A LYS 875.A N LEU 870.A O no hydrogen 2.921 N/A GLU 876.A N GLU 876.A OE1 no hydrogen 2.622 N/A MET 880.A N GLN 935.A O no hydrogen 2.839 N/A ARG 882.A N GLN 935.A OE1 no hydrogen 3.068 N/A ARG 882.A NE SER 934.A O no hydrogen 3.029 N/A ARG 882.A NH2 SER 936.A O no hydrogen 2.136 N/A TRP 884.A NE1 SER 934.A OG no hydrogen 2.461 N/A SER 885.A N SER 883.A O no hydrogen 2.687 N/A SER 885.A OG GLU 887.A O no hydrogen 2.783 N/A HIS 890.A NE2 PRO 668.A O no hydrogen 2.741 N/A ALA 892.A N ARG 857.A O no hydrogen 2.854 N/A ILE 893.A N TYR 815.A O no hydrogen 2.834 N/A ARG 894.A N THR 849.A OG1 no hydrogen 3.266 N/A ARG 894.A NE PRO 895.A O no hydrogen 3.321 N/A ARG 894.A NH1 SER 859.A OG no hydrogen 2.694 N/A VAL 896.A N PHE 847.A O no hydrogen 3.195 N/A ILE 899.A N LYS 897.A O no hydrogen 2.648 N/A ASP 900.A N GLU 903.A OE1 no hydrogen 3.257 N/A ARG 902.A NH2 GLU 442.A O no hydrogen 3.029 N/A ARG 902.A NH2 MET 443.A O no hydrogen 2.904 N/A GLU 903.A N ASP 900.A OD1 no hydrogen 2.883 N/A LEU 904.A N ASP 900.A O no hydrogen 3.146 N/A GLU 905.A N ALA 901.A O no hydrogen 2.887 N/A GLU 906.A N ARG 902.A O no hydrogen 2.969 N/A MET 907.A N GLU 903.A O no hydrogen 2.932 N/A ILE 908.A N LEU 904.A O no hydrogen 2.902 N/A GLU 909.A N GLU 905.A O no hydrogen 2.915 N/A GLU 910.A N GLU 906.A O no hydrogen 2.880 N/A GLY 911.A N MET 907.A O no hydrogen 2.995 N/A LEU 912.A N MET 907.A O no hydrogen 2.968 N/A THR 917.A N HIS 920.A ND1 no hydrogen 3.234 N/A THR 917.A OG1 HIS 920.A ND1 no hydrogen 2.463 N/A HIS 920.A ND1 THR 917.A OG1 no hydrogen 2.463 N/A LEU 921.A N THR 917.A O no hydrogen 3.148 N/A ARG 922.A N LYS 918.A O no hydrogen 2.939 N/A VAL 923.A N LYS 919.A O no hydrogen 2.935 N/A TYR 924.A N HIS 920.A O no hydrogen 2.910 N/A TYR 924.A OH ILE 899.A O no hydrogen 2.492 N/A GLU 925.A N LEU 921.A O no hydrogen 2.894 N/A LEU 926.A N ARG 922.A O no hydrogen 2.955 N/A ILE 927.A N VAL 923.A O no hydrogen 2.953 N/A PHE 928.A N TYR 924.A O no hydrogen 2.865 N/A ASN 929.A N GLU 925.A O no hydrogen 2.913 N/A ASN 929.A ND2 GLU 925.A O no hydrogen 2.689 N/A ARG 930.A N LEU 926.A O no hydrogen 2.960 N/A ARG 930.A NE GLU 823.A OE1 no hydrogen 3.413 N/A ARG 930.A NH1 PRO 813.A O no hydrogen 2.390 N/A ARG 930.A NH2 GLU 823.A OE1 no hydrogen 3.035 N/A ARG 930.A NH2 GLU 823.A OE2 no hydrogen 3.027 N/A PHE 931.A N ILE 927.A O no hydrogen 2.908 N/A LEU 932.A N PHE 928.A O no hydrogen 2.905 N/A ALA 933.A N ASN 929.A O no hydrogen 2.932 N/A SER 934.A N ARG 930.A O no hydrogen 2.953 N/A GLN 935.A N PHE 931.A O no hydrogen 3.100 N/A GLN 935.A NE2 ARG 882.A O no hydrogen 2.451 N/A GLN 935.A NE2 SER 934.A OG no hydrogen 3.096 N/A SER 936.A N ALA 933.A O no hydrogen 3.441 N/A SER 936.A OG LEU 932.A O no hydrogen 2.798 N/A ALA 937.A N ILE 878.A O no hydrogen 2.542 N/A VAL 939.A N LYS 809.A O no hydrogen 3.324 N/A LYS 940.A N ARG 965.A O no hydrogen 2.913 N/A VAL 941.A N GLU 807.A O no hydrogen 2.890 N/A LYS 942.A N GLU 962.A O no hydrogen 2.744 N/A LYS 942.A NZ GLU 962.A OE1 no hydrogen 3.426 N/A LYS 943.A N ALA 805.A O no hydrogen 2.898 N/A LYS 943.A NZ GLU 958.A OE1 no hydrogen 2.860 N/A GLN 944.A N GLN 959.A O no hydrogen 2.888 N/A GLN 944.A NE2 PHE 980.A O no hydrogen 3.655 N/A ILE 945.A N GLN 803.A O no hydrogen 2.981 N/A VAL 946.A N ILE 957.A O no hydrogen 2.880 N/A THR 947.A N GLU 801.A O no hydrogen 2.951 N/A THR 947.A OG1 GLU 801.A OE1 no hydrogen 3.009 N/A VAL 948.A N MET 955.A O no hydrogen 2.891 N/A ASP 949.A N THR 798.A O no hydrogen 2.891 N/A VAL 950.A N LYS 953.A O no hydrogen 2.923 N/A LYS 953.A N VAL 950.A O no hydrogen 2.861 N/A ARG 954.A NE ASP 949.A OD2 no hydrogen 3.183 N/A MET 955.A N VAL 948.A O no hydrogen 2.924 N/A ILE 957.A N VAL 946.A O no hydrogen 2.905 N/A GLN 959.A N GLN 944.A O no hydrogen 2.912 N/A GLN 959.A NE2 GLN 944.A OE1 no hydrogen 3.566 N/A VAL 961.A N LYS 942.A O no hydrogen 2.988 N/A GLU 962.A N LYS 942.A O no hydrogen 3.013 N/A LEU 964.A N LYS 940.A O no hydrogen 3.066 N/A ARG 965.A N LYS 940.A O no hydrogen 2.958 N/A TRP 968.A N ALA 937.A O no hydrogen 3.080 N/A TRP 968.A NE1 LYS 809.A O no hydrogen 2.730 N/A PHE 971.A N TRP 968.A O no hydrogen 3.001 N/A VAL 972.A N TRP 968.A O no hydrogen 3.245 N/A LEU 974.A N ASN 969.A OD1 no hydrogen 3.112 N/A SER 977.A N ILE 960.A O no hydrogen 2.861 N/A SER 977.A OG GLN 959.A OE1 no hydrogen 2.785 N/A ARG 979.A NH2 GLU 804.A OE1 no hydrogen 2.399 N/A PHE 980.A N GLN 944.A OE1 no hydrogen 3.031 N/A GLU 981.A N TYR 985.A OH no hydrogen 2.600 N/A HIS 982.A NE2 VAL 800.A O no hydrogen 2.963 N/A TYR 985.A N VAL 797.A O no hydrogen 2.897 N/A LYS 986.A N GLU 781.A OE2 no hydrogen 3.106 N/A ILE 987.A N ASP 795.A O no hydrogen 3.184 N/A LYS 988.A N VAL 779.A O no hydrogen 3.230 N/A LYS 990.A NZ ASP 795.A OD2 no hydrogen 3.404 N/A LYS 991.A N LEU 777.A O no hydrogen 2.910 N/A LYS 991.A NZ GLU 989.A OE1 no hydrogen 3.299 N/A TYR 993.A N PHE 775.A O no hydrogen 2.919 N/A TYR 993.A OH GLU 787.A OE2 no hydrogen 2.500 N/A LYS 995.A NZ HIS 996.A ND1 no hydrogen 3.559 N/A THR 997.A N SER 771.A O no hydrogen 2.689 N/A THR 997.A OG1 SER 771.A O no hydrogen 2.829 N/A THR 1002.A N SER 1005.A OG no hydrogen 2.597 N/A THR 1002.A OG1 GLN 826.A OE1 no hydrogen 3.438 N/A THR 1002.A OG1 SER 1005.A OG no hydrogen 2.898 N/A GLN 1003.A NE2 GLU 1036.A OE2 no hydrogen 2.540 N/A SER 1005.A N THR 1002.A OG1 no hydrogen 3.330 N/A SER 1005.A OG THR 1002.A O no hydrogen 3.087 N/A SER 1005.A OG THR 1002.A OG1 no hydrogen 2.898 N/A ILE 1006.A N THR 1002.A O no hydrogen 3.090 N/A VAL 1007.A N GLN 1003.A O no hydrogen 2.999 N/A GLU 1008.A N ALA 1004.A O no hydrogen 2.916 N/A GLU 1009.A N SER 1005.A O no hydrogen 2.901 N/A MET 1010.A N ILE 1006.A O no hydrogen 2.917 N/A LYS 1011.A N VAL 1007.A O no hydrogen 2.944 N/A LYS 1012.A N GLU 1008.A O no hydrogen 2.926 N/A ARG 1013.A N GLU 1009.A O no hydrogen 2.832 N/A ARG 1013.A NE GLU 1065.A OE1 no hydrogen 3.245 N/A GLY 1014.A N LYS 1011.A O no hydrogen 3.431 N/A ILE 1015.A N MET 1010.A O no hydrogen 2.848 N/A ARG 1017.A NE GLU 1072.A OE1 no hydrogen 3.228 N/A ARG 1017.A NE GLU 1072.A OE2 no hydrogen 3.354 N/A THR 1020.A N ARG 1017.A O no hydrogen 3.035 N/A TYR 1021.A N ARG 1017.A O no hydrogen 3.361 N/A ILE 1024.A N THR 1020.A O no hydrogen 2.687 N/A VAL 1025.A N TYR 1021.A O no hydrogen 3.007 N/A GLU 1026.A N ALA 1022.A O no hydrogen 2.929 N/A VAL 1027.A N LYS 1023.A O no hydrogen 2.876 N/A LEU 1028.A N ILE 1024.A O no hydrogen 2.967 N/A PHE 1029.A N VAL 1025.A O no hydrogen 2.946 N/A ARG 1030.A N GLU 1026.A O no hydrogen 2.897 N/A ARG 1031.A N VAL 1027.A O no hydrogen 3.220 N/A ARG 1031.A NH1 ASN 747.A O no hydrogen 2.619 N/A GLY 1032.A N PHE 1029.A O no hydrogen 3.066 N/A TYR 1033.A N LEU 1028.A O no hydrogen 3.128 N/A TYR 1035.A N ARG 1043.A O no hydrogen 2.857 N/A ASP 1037.A N ARG 1041.A O no hydrogen 3.220 N/A LYS 1040.A N ASP 1037.A O no hydrogen 3.060 N/A LYS 1040.A NZ ARG 829.A O no hydrogen 3.321 N/A ARG 1041.A N ASP 1037.A OD1 no hydrogen 2.802 N/A ARG 1041.A NH2 TYR 768.A OH no hydrogen 3.110 N/A VAL 1042.A N PHE 1001.A O no hydrogen 2.604 N/A ARG 1043.A N TYR 1035.A O no hydrogen 2.943 N/A ARG 1043.A NE TYR 1035.A OH no hydrogen 3.346 N/A THR 1045.A N TYR 1033.A O no hydrogen 3.087 N/A THR 1045.A OG1 GLY 1032.A O no hydrogen 3.072 N/A GLY 1048.A N THR 1045.A OG1 no hydrogen 3.129 N/A VAL 1049.A N THR 1045.A O no hydrogen 2.951 N/A MET 1050.A N ARG 1046.A O no hydrogen 2.948 N/A VAL 1051.A N PHE 1047.A O no hydrogen 2.914 N/A TYR 1052.A N GLY 1048.A O no hydrogen 2.904 N/A SER 1053.A N VAL 1049.A O no hydrogen 2.935 N/A SER 1053.A OG VAL 1049.A O no hydrogen 2.617 N/A TYR 1054.A N MET 1050.A O no hydrogen 2.931 N/A LEU 1055.A N VAL 1051.A O no hydrogen 2.941 N/A LYS 1056.A N TYR 1052.A O no hydrogen 2.862 N/A GLU 1057.A N SER 1053.A O no hydrogen 2.920 N/A ARG 1058.A N TYR 1054.A O no hydrogen 2.958 N/A TYR 1059.A N LEU 1055.A O no hydrogen 2.647 N/A VAL 1063.A N GLU 1060.A O no hydrogen 3.169 N/A THR 1064.A N GLU 1060.A O no hydrogen 3.206 N/A THR 1064.A OG1 GLU 1060.A O no hydrogen 3.285 N/A GLU 1066.A N GLU 1066.A OE1 no hydrogen 3.009 N/A THR 1067.A OG1 THR 1064.A O no hydrogen 2.707 N/A THR 1068.A N THR 1064.A O no hydrogen 3.472 N/A THR 1068.A OG1 THR 756.A OG1 no hydrogen 2.998 N/A THR 1068.A OG1 VAL 1063.A O no hydrogen 3.402 N/A THR 1068.A OG1 THR 1064.A O no hydrogen 3.322 N/A ARG 1069.A N GLU 1065.A O no hydrogen 2.865 N/A ARG 1070.A N GLU 1066.A O no hydrogen 2.922 N/A LEU 1071.A N THR 1067.A O no hydrogen 2.932 N/A GLU 1072.A N THR 1068.A O no hydrogen 2.876 N/A GLU 1073.A N ARG 1069.A O no hydrogen 2.877 N/A ILE 1074.A N ARG 1070.A O no hydrogen 2.937 N/A MET 1075.A N LEU 1071.A O no hydrogen 2.893 N/A ASP 1076.A N GLU 1072.A O no hydrogen 2.905 N/A LYS 1077.A N GLU 1073.A O no hydrogen 2.927 N/A VAL 1078.A N ILE 1074.A O no hydrogen 2.943 N/A GLU 1079.A N MET 1075.A O no hydrogen 2.934 N/A ARG 1080.A N ASP 1076.A O no hydrogen 3.281 N/A GLY 1081.A N VAL 1078.A O no hydrogen 2.892 N/A GLU 1082.A N LYS 1077.A O no hydrogen 2.807 N/A GLU 1083.A N LYS 1077.A O no hydrogen 3.036 N/A THR 1088.A N ASP 1084.A O no hydrogen 3.387 N/A THR 1088.A OG1 ASP 1084.A O no hydrogen 3.084 N/A THR 1088.A OG1 TYR 1085.A O no hydrogen 2.893 N/A LEU 1089.A N TYR 1085.A O no hydrogen 2.956 N/A ARG 1090.A N GLN 1086.A O no hydrogen 2.921 N/A ARG 1090.A NH1 GLY 608.A O no hydrogen 2.702 N/A LEU 1091.A N ALA 1087.A O no hydrogen 2.926 N/A LEU 1092.A N THR 1088.A O no hydrogen 2.947 N/A TYR 1093.A N LEU 1089.A O no hydrogen 2.914 N/A GLU 1094.A N ARG 1090.A O no hydrogen 2.899 N/A GLU 1095.A N LEU 1091.A O no hydrogen 2.948 N/A ILE 1096.A N LEU 1092.A O no hydrogen 2.927 N/A ILE 1096.A N TYR 1093.A O no hydrogen 2.900 N/A LYS 1097.A N TYR 1093.A O no hydrogen 2.662 N/A SER 1098.A OG TYR 1062.A OH no hydrogen 3.002 N/A SER 1098.A OG GLU 1095.A O no hydrogen 3.293 N/A LEU 1099.A N ILE 1096.A O no hydrogen 3.150 N/A MET 1100.A N ILE 1096.A O no hydrogen 3.231 N/A GLU 1101.A N SER 1098.A O no hydrogen 3.243 N/A GLU 1102.A N SER 1098.A O no hydrogen 3.325 N/A