Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xwj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 9.A N ALA 6.A O no hydrogen 3.034 N/A SER 12.A OG GLU 160.A OE2 no hydrogen 2.871 N/A ARG 13.A N GLY 173.A O no hydrogen 2.800 N/A ARG 13.A NE GLY 173.A O no hydrogen 3.612 N/A ARG 13.A NH1 ASP 46.A O no hydrogen 2.904 N/A SER 14.A N ASP 46.A OD2 no hydrogen 3.221 N/A GLU 15.A N ASP 46.A OD2 no hydrogen 3.400 N/A ILE 35.A N LYS 32.A O no hydrogen 3.042 N/A LYS 38.A NZ GLU 29.A OE2 no hydrogen 2.807 N/A ASP 46.A N GLU 15.A O no hydrogen 3.104 N/A THR 50.A N THR 49.A OG1 no hydrogen 2.580 N/A THR 50.A OG1 THR 73.A OG1 no hydrogen 3.323 N/A TRP 51.A N VAL 72.A O no hydrogen 2.963 N/A ILE 53.A N PHE 70.A O no hydrogen 3.171 N/A SER 57.A N CYS 65.A O no hydrogen 3.078 N/A SER 57.A OG CYS 65.A O no hydrogen 3.029 N/A SER 59.A N GLY 63.A O no hydrogen 2.989 N/A LYS 61.A N SER 59.A OG no hydrogen 3.279 N/A LYS 62.A N SER 59.A OG no hydrogen 3.271 N/A CYS 65.A N SER 57.A O no hydrogen 3.365 N/A ALA 67.A N ALA 55.A O no hydrogen 2.874 N/A PHE 70.A N ILE 53.A O no hydrogen 3.130 N/A VAL 72.A N TRP 51.A O no hydrogen 2.914 N/A THR 73.A OG1 THR 50.A OG1 no hydrogen 3.323 N/A VAL 74.A N THR 49.A O no hydrogen 2.822 N/A PHE 79.A N TYR 101.A O no hydrogen 3.456 N/A ILE 80.A N ASP 172.A OD2 no hydrogen 2.817 N/A ASP 81.A N VAL 99.A O no hydrogen 2.702 N/A ARG 83.A N ARG 97.A O no hydrogen 3.469 N/A VAL 88.A N LYS 179.A O no hydrogen 2.960 N/A ARG 90.A N VAL 181.A O no hydrogen 3.139 N/A ARG 90.A NH1 GLU 749.A OE1 no hydrogen 3.335 N/A ARG 90.A NH2 GLU 749.A OE1 no hydrogen 2.880 N/A ASN 91.A N PRO 151.A O no hydrogen 2.877 N/A GLU 92.A N VAL 89.A O no hydrogen 3.399 N/A GLN 93.A NE2 GLY 740.A O no hydrogen 3.226 N/A VAL 94.A N ILE 149.A O no hydrogen 3.149 N/A ILE 96.A N TYR 147.A O no hydrogen 2.956 N/A ARG 97.A NE SER 144.A OG no hydrogen 3.182 N/A ARG 97.A NH1 ASP 644.A OD1 no hydrogen 3.380 N/A ARG 97.A NH1 ASP 644.A OD2 no hydrogen 2.931 N/A ALA 98.A N VAL 145.A O no hydrogen 3.265 N/A VAL 99.A N ASP 81.A O no hydrogen 3.287 N/A LEU 100.A N LEU 143.A O no hydrogen 2.859 N/A TYR 101.A N PHE 79.A O no hydrogen 2.987 N/A ASN 102.A N SER 141.A O no hydrogen 2.881 N/A ASN 102.A ND2 GLN 107.A O no hydrogen 3.374 N/A ASN 102.A ND2 ILE 137.A O no hydrogen 3.226 N/A ASN 102.A ND2 PRO 138.A O no hydrogen 3.269 N/A TYR 103.A N ASP 77.A O no hydrogen 3.107 N/A ARG 104.A N ASN 102.A OD1 no hydrogen 3.230 N/A LEU 109.A N ILE 137.A O no hydrogen 3.020 N/A VAL 111.A N VAL 135.A O no hydrogen 2.891 N/A ARG 112.A N ALA 164.A O no hydrogen 2.895 N/A GLU 114.A N LYS 162.A O no hydrogen 2.789 N/A LEU 115.A N HIS 131.A O no hydrogen 3.435 N/A LEU 116.A N GLU 160.A O no hydrogen 3.330 N/A HIS 117.A ND1 ALA 125.A O no hydrogen 2.803 N/A ASN 118.A ND2 GLU 158.A O no hydrogen 2.870 N/A ALA 120.A N ASN 118.A OD1 no hydrogen 3.067 N/A PHE 121.A N ASN 118.A O no hydrogen 2.763 N/A CYS 122.A SG ASN 743.A O no hydrogen 3.993 N/A ALA 125.A N SER 123.A OG no hydrogen 3.311 N/A LYS 128.A N THR 126.A OG1 no hydrogen 3.392 N/A LYS 128.A NZ ASP 863.A OD1 no hydrogen 2.972 N/A ARG 129.A N THR 126.A OG1 no hydrogen 3.034 N/A ARG 129.A NH1 GLU 755.A O no hydrogen 2.990 N/A ARG 130.A NH1 GLU 114.A OE2 no hydrogen 2.859 N/A GLN 133.A N VAL 113.A O no hydrogen 3.173 N/A VAL 135.A N VAL 111.A O no hydrogen 3.027 N/A ILE 137.A N LEU 109.A O no hydrogen 2.848 N/A LYS 140.A N ARG 104.A O no hydrogen 3.223 N/A SER 141.A N ASN 102.A O no hydrogen 3.169 N/A SER 141.A OG PRO 138.A O no hydrogen 2.708 N/A LEU 143.A N LEU 100.A O no hydrogen 3.090 N/A VAL 145.A N ALA 98.A O no hydrogen 2.912 N/A TYR 147.A N ILE 96.A O no hydrogen 3.070 N/A VAL 148.A N GLN 713.A OE1 no hydrogen 2.813 N/A ILE 149.A N VAL 94.A O no hydrogen 3.288 N/A LEU 152.A N ALA 120.A O no hydrogen 2.704 N/A GLN 157.A N LEU 178.A O no hydrogen 3.219 N/A GLN 157.A NE2 LYS 153.A O no hydrogen 3.550 N/A GLN 157.A NE2 THR 154.A O no hydrogen 2.817 N/A VAL 159.A N LYS 176.A O no hydrogen 2.968 N/A VAL 161.A N VAL 174.A O no hydrogen 3.063 N/A LYS 162.A N GLU 114.A O no hydrogen 3.106 N/A LYS 162.A NZ GLU 7.A O no hydrogen 3.407 N/A LYS 162.A NZ ILE 10.A O no hydrogen 3.235 N/A ALA 163.A N ASP 172.A O no hydrogen 3.004 N/A VAL 165.A N ILE 170.A O no hydrogen 3.337 N/A TYR 166.A N LYS 110.A O no hydrogen 2.799 N/A HIS 168.A ND1 TYR 166.A O no hydrogen 2.877 N/A ASP 172.A N ALA 163.A O no hydrogen 3.143 N/A VAL 174.A N VAL 161.A O no hydrogen 3.014 N/A ARG 175.A N ARG 13.A O no hydrogen 2.819 N/A LYS 179.A NZ TYR 86.A OH no hydrogen 3.114 N/A VAL 180.A N GLY 155.A O no hydrogen 3.197 N/A ILE 185.A N ALA 599.A O no hydrogen 3.188 N/A ARG 186.A NE HIS 598.A NE2 no hydrogen 3.097 N/A MET 187.A N TYR 597.A O no hydrogen 3.295 N/A LYS 189.A NZ ASP 215.A OD2 no hydrogen 3.125 N/A VAL 191.A N VAL 593.A O no hydrogen 2.914 N/A ARG 194.A NH1 GLU 209.A OE2 no hydrogen 2.827 N/A ARG 194.A NH1 ASP 210.A O no hydrogen 2.888 N/A ASP 197.A N GLN 207.A OE1 no hydrogen 3.191 N/A ARG 200.A NH1 ASP 197.A OD2 no hydrogen 3.161 N/A LEU 201.A N ASP 197.A O no hydrogen 3.357 N/A ARG 203.A N VAL 206.A O no hydrogen 2.774 N/A VAL 206.A N ARG 203.A O no hydrogen 2.988 N/A GLN 207.A N ALA 583.A O no hydrogen 2.908 N/A GLN 207.A NE2 THR 195.A O no hydrogen 3.477 N/A GLU 209.A N VAL 581.A O no hydrogen 2.910 N/A ILE 211.A N PHE 579.A O no hydrogen 3.234 N/A ALA 214.A N ASN 576.A OD1 no hydrogen 3.100 N/A SER 217.A OG ASP 215.A OD2 no hydrogen 3.105 N/A GLN 219.A N LEU 216.A O no hydrogen 3.406 N/A VAL 220.A N HIS 598.A O no hydrogen 2.985 N/A THR 223.A OG1 VAL 220.A O no hydrogen 2.625 N/A THR 227.A N THR 573.A O no hydrogen 2.986 N/A ARG 228.A N VAL 594.A O no hydrogen 2.927 N/A ILE 229.A N GLU 571.A O no hydrogen 3.090 N/A LEU 231.A N ARG 569.A O no hydrogen 3.113 N/A GLU 241.A N TYR 531.A OH no hydrogen 3.250 N/A VAL 244.A N TYR 276.A OH no hydrogen 2.865 N/A ARG 248.A N ASP 245.A O no hydrogen 3.043 N/A LEU 249.A N ALA 246.A O no hydrogen 2.910 N/A LEU 252.A N LEU 249.A O no hydrogen 3.440 N/A VAL 254.A N THR 270.A OG1 no hydrogen 3.039 N/A SER 257.A OG THR 255.A O no hydrogen 3.421 N/A GLY 260.A N ALA 317.A O no hydrogen 2.940 N/A ASN 263.A N CYS 259.A O no hydrogen 3.210 N/A ASN 263.A ND2 GLY 301.A O no hydrogen 3.134 N/A ASN 263.A ND2 GLN 305.A OE1 no hydrogen 3.252 N/A ILE 265.A N GLU 261.A O no hydrogen 3.196 N/A GLY 266.A N GLU 262.A O no hydrogen 3.099 N/A MET 267.A N MET 264.A O no hydrogen 3.127 N/A THR 268.A N MET 264.A O no hydrogen 2.885 N/A THR 268.A OG1 MET 264.A O no hydrogen 2.726 N/A THR 268.A OG1 TYR 330.A OH no hydrogen 2.632 N/A THR 270.A OG1 LEU 252.A O no hydrogen 3.329 N/A THR 270.A OG1 VAL 254.A O no hydrogen 2.757 N/A VAL 271.A N MET 267.A O no hydrogen 3.072 N/A ILE 272.A N THR 268.A O no hydrogen 3.160 N/A VAL 274.A N THR 270.A O no hydrogen 3.154 N/A HIS 275.A N VAL 271.A O no hydrogen 3.119 N/A TYR 276.A N ILE 272.A O no hydrogen 3.026 N/A LEU 277.A N ALA 273.A O no hydrogen 3.030 N/A ASP 278.A N VAL 274.A O no hydrogen 2.937 N/A THR 280.A N TYR 276.A O no hydrogen 3.098 N/A THR 280.A OG1 TYR 276.A O no hydrogen 2.787 N/A GLN 282.A N LEU 277.A O no hydrogen 3.359 N/A TRP 283.A NE1 ASP 278.A OD1 no hydrogen 2.811 N/A ARG 291.A NE ASP 278.A OD1 no hydrogen 3.473 N/A ARG 291.A NH2 ASP 278.A OD2 no hydrogen 3.320 N/A ALA 294.A N ARG 291.A O no hydrogen 2.826 N/A LEU 295.A N ARG 291.A O no hydrogen 2.959 N/A GLU 296.A N GLN 292.A O no hydrogen 3.340 N/A LEU 297.A N ALA 294.A O no hydrogen 3.144 N/A ILE 298.A N ALA 294.A O no hydrogen 3.158 N/A LYS 299.A N LEU 295.A O no hydrogen 2.965 N/A LYS 300.A N GLU 296.A O no hydrogen 2.955 N/A LYS 300.A NZ GLN 304.A OE1 no hydrogen 2.676 N/A GLY 301.A N LEU 297.A O no hydrogen 2.909 N/A TYR 302.A N ILE 298.A O no hydrogen 2.926 N/A THR 303.A N LYS 299.A O no hydrogen 3.010 N/A THR 303.A OG1 LYS 299.A O no hydrogen 3.048 N/A GLN 304.A N LYS 300.A O no hydrogen 3.055 N/A GLN 304.A NE2 PRO 256.A O no hydrogen 3.310 N/A GLN 304.A NE2 ASN 263.A OD1 no hydrogen 3.423 N/A GLN 305.A N GLY 301.A O no hydrogen 3.138 N/A GLN 305.A NE2 GLY 260.A O no hydrogen 3.369 N/A LEU 306.A N TYR 302.A O no hydrogen 3.337 N/A LEU 306.A N THR 303.A O no hydrogen 3.128 N/A ALA 307.A N GLN 304.A O no hydrogen 3.000 N/A PHE 308.A N GLN 305.A O no hydrogen 3.136 N/A ARG 309.A N LEU 306.A O no hydrogen 3.136 N/A GLN 310.A N ALA 314.A O no hydrogen 3.069 N/A GLN 310.A NE2 PHE 318.A O no hydrogen 3.491 N/A GLN 310.A NE2 ARG 321.A O no hydrogen 2.823 N/A SER 313.A N GLN 310.A O no hydrogen 2.829 N/A PHE 315.A N THR 328.A OG1 no hydrogen 2.960 N/A ARG 321.A NH2 PRO 372.A O no hydrogen 2.902 N/A SER 324.A N PHE 315.A O no hydrogen 3.058 N/A SER 324.A OG GLU 369.A OE2 no hydrogen 2.959 N/A SER 324.A OG ALA 371.A O no hydrogen 3.108 N/A THR 325.A N GLU 369.A OE1 no hydrogen 2.805 N/A THR 325.A OG1 GLN 368.A O no hydrogen 2.858 N/A TRP 326.A N GLU 369.A OE2 no hydrogen 3.256 N/A LEU 327.A N SER 324.A OG no hydrogen 3.427 N/A THR 328.A N SER 324.A O no hydrogen 2.982 N/A THR 328.A OG1 PHE 315.A O no hydrogen 3.370 N/A THR 328.A OG1 SER 324.A O no hydrogen 2.812 N/A ALA 329.A N THR 325.A O no hydrogen 3.139 N/A TYR 330.A N TRP 326.A O no hydrogen 2.746 N/A TYR 330.A OH THR 268.A OG1 no hydrogen 2.632 N/A VAL 331.A N LEU 327.A O no hydrogen 2.886 N/A LYS 333.A N ALA 329.A O no hydrogen 3.273 N/A VAL 334.A N TYR 330.A O no hydrogen 3.133 N/A PHE 335.A N VAL 331.A O no hydrogen 2.873 N/A SER 336.A N VAL 332.A O no hydrogen 2.865 N/A SER 336.A OG VAL 332.A O no hydrogen 2.740 N/A LEU 337.A N VAL 334.A O no hydrogen 3.163 N/A ALA 338.A N VAL 334.A O no hydrogen 3.003 N/A ALA 338.A N PHE 335.A O no hydrogen 3.068 N/A LEU 341.A N ALA 338.A O no hydrogen 3.060 N/A ILE 342.A N ALA 338.A O no hydrogen 2.904 N/A ASP 345.A N TYR 302.A OH no hydrogen 3.055 N/A GLN 347.A N ASP 345.A OD1 no hydrogen 3.088 N/A VAL 348.A N ASP 345.A O no hydrogen 3.053 N/A LEU 349.A N ASP 345.A O no hydrogen 3.095 N/A CYS 350.A N SER 346.A O no hydrogen 2.974 N/A ALA 352.A N VAL 348.A O no hydrogen 3.089 N/A VAL 353.A N LEU 349.A O no hydrogen 3.407 N/A LYS 354.A N CYS 350.A O no hydrogen 2.979 N/A TRP 355.A N GLY 351.A O no hydrogen 3.288 N/A LEU 356.A N ALA 352.A O no hydrogen 3.263 N/A ILE 357.A N VAL 353.A O no hydrogen 3.190 N/A LEU 358.A N LYS 354.A O no hydrogen 3.024 N/A GLU 359.A N TRP 355.A O no hydrogen 2.929 N/A LYS 360.A N TRP 355.A O no hydrogen 3.367 N/A LYS 360.A NZ ASP 370.A OD2 no hydrogen 2.771 N/A GLN 361.A NE2 ILE 357.A O no hydrogen 3.092 N/A GLN 361.A NE2 SER 417.A OG no hydrogen 2.852 N/A LYS 362.A N VAL 366.A O no hydrogen 3.271 N/A LYS 362.A NZ GLN 368.A OE1 no hydrogen 3.236 N/A GLY 365.A N LYS 362.A O no hydrogen 2.730 N/A PHE 367.A N THR 393.A OG1 no hydrogen 3.262 N/A ILE 374.A N GLU 261.A OE2 no hydrogen 3.072 N/A HIS 375.A N GLU 261.A OE1 no hydrogen 3.158 N/A HIS 375.A ND1 GLU 377.A OE2 no hydrogen 2.778 N/A ALA 391.A N GLU 387.A O no hydrogen 3.079 N/A LEU 392.A N LYS 388.A O no hydrogen 2.936 N/A THR 393.A N ASP 389.A O no hydrogen 3.096 N/A THR 393.A OG1 ASP 389.A O no hydrogen 2.737 N/A ALA 394.A N MET 390.A O no hydrogen 3.199 N/A PHE 395.A N ALA 391.A O no hydrogen 2.888 N/A VAL 396.A N LEU 392.A O no hydrogen 3.017 N/A LEU 397.A N THR 393.A O no hydrogen 3.149 N/A ILE 398.A N ALA 394.A O no hydrogen 3.068 N/A SER 399.A N PHE 395.A O no hydrogen 3.338 N/A SER 399.A OG ALA 329.A O no hydrogen 3.070 N/A SER 399.A OG PHE 395.A O no hydrogen 3.254 N/A LEU 400.A N VAL 396.A O no hydrogen 3.165 N/A GLN 401.A N LEU 397.A O no hydrogen 3.128 N/A GLN 401.A NE2 ALA 444.A O no hydrogen 3.340 N/A GLU 402.A N ILE 398.A O no hydrogen 3.152 N/A ALA 403.A N LEU 400.A O no hydrogen 3.176 N/A ILE 406.A N ALA 403.A O no hydrogen 3.266 N/A CYS 407.A N ALA 403.A O no hydrogen 2.882 N/A SER 417.A N SER 413.A O no hydrogen 3.134 N/A SER 417.A OG GLN 361.A OE1 no hydrogen 3.025 N/A ILE 418.A N LEU 414.A O no hydrogen 2.893 N/A THR 419.A N PRO 415.A O no hydrogen 3.211 N/A THR 419.A OG1 PRO 415.A O no hydrogen 3.119 N/A LYS 420.A N GLY 416.A O no hydrogen 3.107 N/A ALA 421.A N SER 417.A O no hydrogen 3.137 N/A GLY 422.A N ILE 418.A O no hydrogen 3.187 N/A ASP 423.A N THR 419.A O no hydrogen 2.928 N/A PHE 424.A N LYS 420.A O no hydrogen 3.279 N/A LEU 425.A N ALA 421.A O no hydrogen 3.108 N/A GLU 426.A N GLY 422.A O no hydrogen 3.077 N/A ALA 427.A N PHE 424.A O no hydrogen 3.125 N/A ASN 428.A N LEU 425.A O no hydrogen 3.291 N/A TYR 429.A OH VAL 438.A O no hydrogen 2.781 N/A ASN 431.A N ASN 428.A O no hydrogen 3.123 N/A GLN 433.A N GLU 387.A OE2 no hydrogen 2.895 N/A ARG 434.A NH1 ASN 384.A O no hydrogen 2.648 N/A SER 435.A N ASP 471.A OD1 no hydrogen 3.114 N/A SER 435.A OG GLU 470.A O no hydrogen 3.445 N/A SER 435.A OG ASP 471.A OD1 no hydrogen 3.124 N/A TYR 436.A N ASP 471.A OD2 no hydrogen 3.017 N/A TYR 436.A OH GLU 480.A OE2 no hydrogen 2.835 N/A THR 437.A OG1 GLU 387.A OE1 no hydrogen 3.170 N/A VAL 438.A N ARG 434.A O no hydrogen 3.219 N/A ALA 439.A N SER 435.A O no hydrogen 3.178 N/A ALA 439.A N TYR 436.A O no hydrogen 2.988 N/A ILE 440.A N TYR 436.A O no hydrogen 3.017 N/A ALA 441.A N THR 437.A O no hydrogen 2.962 N/A GLY 442.A N VAL 438.A O no hydrogen 2.951 N/A TYR 443.A N ALA 439.A O no hydrogen 3.096 N/A LEU 445.A N ALA 441.A O no hydrogen 3.109 N/A ALA 446.A N GLY 442.A O no hydrogen 2.852 N/A GLN 447.A N TYR 443.A O no hydrogen 3.279 N/A GLN 447.A NE2 TYR 443.A OH no hydrogen 2.899 N/A MET 448.A N LEU 445.A O no hydrogen 3.194 N/A GLY 449.A N ALA 446.A O no hydrogen 2.999 N/A ARG 450.A N LEU 445.A O no hydrogen 2.984 N/A ARG 450.A NH1 ASP 423.A OD1 no hydrogen 2.897 N/A ARG 450.A NH2 ASP 423.A OD1 no hydrogen 2.819 N/A LYS 452.A NZ GLY 449.A O no hydrogen 3.156 N/A LEU 456.A N LYS 452.A O no hydrogen 3.464 N/A ASN 457.A N GLY 453.A O no hydrogen 2.973 N/A LYS 458.A N PRO 454.A O no hydrogen 2.905 N/A LYS 458.A NZ LEU 432.A O no hydrogen 3.332 N/A PHE 459.A N LEU 455.A O no hydrogen 3.115 N/A LEU 460.A N LEU 456.A O no hydrogen 3.350 N/A THR 461.A N ASN 457.A O no hydrogen 3.106 N/A THR 461.A OG1 ASN 457.A O no hydrogen 2.989 N/A THR 461.A OG1 LYS 458.A O no hydrogen 3.115 N/A THR 462.A N LYS 458.A O no hydrogen 2.975 N/A THR 462.A OG1 LYS 458.A O no hydrogen 2.665 N/A LYS 464.A N ARG 468.A O no hydrogen 2.993 N/A LYS 464.A NZ ASP 465.A OD1 no hydrogen 3.294 N/A LYS 464.A NZ ASP 465.A OD2 no hydrogen 3.505 N/A LYS 466.A N ALA 463.A O no hydrogen 3.440 N/A ARG 468.A NH1 ASP 465.A OD2 no hydrogen 3.525 N/A ARG 468.A NH2 ASP 465.A OD2 no hydrogen 3.246 N/A ARG 468.A NH2 GLU 470.A OE2 no hydrogen 3.433 N/A TRP 469.A N THR 482.A OG1 no hydrogen 3.259 N/A TRP 469.A NE1 PHE 459.A O no hydrogen 2.937 N/A ASP 471.A N ASN 478.A OD1 no hydrogen 3.242 N/A ASN 478.A N GLN 475.A O no hydrogen 2.956 N/A VAL 479.A N GLN 475.A O no hydrogen 3.099 N/A GLU 480.A N LEU 476.A O no hydrogen 3.400 N/A THR 482.A N ASN 478.A O no hydrogen 3.078 N/A THR 482.A OG1 ASN 478.A O no hydrogen 3.236 N/A SER 483.A N VAL 479.A O no hydrogen 3.075 N/A SER 483.A OG VAL 479.A O no hydrogen 2.765 N/A TYR 484.A N GLU 480.A O no hydrogen 3.168 N/A ALA 485.A N ALA 481.A O no hydrogen 3.118 N/A LEU 486.A N THR 482.A O no hydrogen 2.868 N/A LEU 487.A N SER 483.A O no hydrogen 3.035 N/A ALA 488.A N TYR 484.A O no hydrogen 3.118 N/A LEU 489.A N ALA 485.A O no hydrogen 2.933 N/A LEU 490.A N LEU 486.A O no hydrogen 3.017 N/A GLN 491.A N LEU 487.A O no hydrogen 3.042 N/A LEU 492.A N ALA 488.A O no hydrogen 2.901 N/A LYS 493.A N LEU 490.A O no hydrogen 3.338 N/A ASP 494.A N LEU 489.A O no hydrogen 3.064 N/A PHE 497.A N ASP 494.A O no hydrogen 3.261 N/A VAL 502.A N VAL 498.A O no hydrogen 2.969 N/A ARG 503.A N PRO 499.A O no hydrogen 2.970 N/A TRP 504.A N PRO 500.A O no hydrogen 3.271 N/A TRP 504.A N VAL 501.A O no hydrogen 2.885 N/A LEU 505.A N VAL 501.A O no hydrogen 3.241 N/A ASN 506.A N VAL 502.A O no hydrogen 3.187 N/A GLU 507.A N ARG 503.A O no hydrogen 3.002 N/A GLN 508.A N LEU 505.A O no hydrogen 3.103 N/A GLY 513.A N THR 521.A OG1 no hydrogen 3.150 N/A SER 517.A OG GLY 514.A O no hydrogen 3.095 N/A GLN 519.A NE2 MET 378.A O no hydrogen 3.424 N/A THR 521.A N SER 517.A O no hydrogen 3.130 N/A THR 521.A OG1 SER 517.A O no hydrogen 2.755 N/A PHE 522.A N THR 518.A O no hydrogen 3.413 N/A MET 523.A N GLN 519.A O no hydrogen 3.050 N/A VAL 524.A N ALA 520.A O no hydrogen 2.826 N/A PHE 525.A N THR 521.A O no hydrogen 3.406 N/A GLN 526.A NE2 GLU 402.A OE2 no hydrogen 3.467 N/A ALA 527.A N MET 523.A O no hydrogen 2.919 N/A LEU 528.A N VAL 524.A O no hydrogen 3.406 N/A ALA 529.A N PHE 525.A O no hydrogen 3.041 N/A GLN 530.A N GLN 526.A O no hydrogen 3.213 N/A GLN 530.A NE2 ASP 534.A OD2 no hydrogen 3.307 N/A TYR 531.A N ALA 527.A O no hydrogen 2.934 N/A GLN 532.A N LEU 528.A O no hydrogen 3.217 N/A GLN 532.A N ALA 529.A O no hydrogen 3.232 N/A LYS 533.A NZ GLN 530.A OE1 no hydrogen 3.222 N/A ASP 534.A N GLN 530.A O no hydrogen 3.267 N/A HIS 538.A ND1 GLN 539.A O no hydrogen 2.950 N/A ASN 542.A N LYS 586.A O no hydrogen 2.769 N/A LEU 543.A N ILE 560.A O no hydrogen 3.313 N/A ASP 544.A N GLU 584.A O no hydrogen 2.693 N/A SER 546.A N THR 582.A O no hydrogen 2.892 N/A LEU 547.A N ILE 556.A O no hydrogen 3.044 N/A GLN 548.A N THR 580.A O no hydrogen 3.329 N/A GLN 548.A NE2 SER 553.A O no hydrogen 3.369 N/A SER 551.A OG GLU 575.A OE1 no hydrogen 2.726 N/A LYS 555.A NZ GLN 548.A OE1 no hydrogen 2.759 N/A ILE 556.A N LEU 547.A O no hydrogen 2.983 N/A HIS 558.A N VAL 545.A O no hydrogen 2.937 N/A HIS 558.A NE2 GLU 571.A OE2 no hydrogen 3.129 N/A ILE 560.A N LEU 543.A O no hydrogen 3.009 N/A HIS 561.A N SER 564.A OG no hydrogen 3.301 N/A SER 566.A OG ALA 565.A O no hydrogen 2.656 N/A ARG 569.A N LEU 231.A O no hydrogen 3.190 N/A ARG 569.A NH2 SER 564.A O no hydrogen 2.943 N/A GLU 571.A N ILE 229.A O no hydrogen 2.922 N/A THR 573.A N THR 227.A O no hydrogen 3.265 N/A ASN 576.A ND2 ALA 214.A O no hydrogen 3.089 N/A THR 580.A N GLN 548.A O no hydrogen 3.484 N/A VAL 581.A N GLU 209.A O no hydrogen 3.005 N/A THR 582.A N SER 546.A O no hydrogen 3.170 N/A ALA 583.A N GLN 207.A O no hydrogen 3.015 N/A LYS 586.A NZ GLU 199.A OE2 no hydrogen 2.777 N/A GLY 589.A N LEU 196.A O no hydrogen 2.748 N/A THR 590.A N GLN 232.A O no hydrogen 2.894 N/A LEU 591.A N ARG 194.A O no hydrogen 2.859 N/A SER 592.A N LEU 230.A O no hydrogen 3.026 N/A VAL 593.A N ALA 192.A O no hydrogen 3.189 N/A VAL 594.A N ARG 228.A O no hydrogen 3.394 N/A THR 595.A N LYS 189.A O no hydrogen 3.212 N/A MET 596.A N GLU 226.A O no hydrogen 3.061 N/A TYR 597.A N MET 187.A O no hydrogen 3.469 N/A TYR 597.A OH ASP 218.A OD1 no hydrogen 3.098 N/A ALA 599.A N ILE 185.A O no hydrogen 2.937 N/A LYS 600.A N ASP 218.A O no hydrogen 2.791 N/A LYS 602.A NZ GLU 92.A OE2 no hydrogen 2.930 N/A LYS 602.A NZ GLU 183.A OE2 no hydrogen 3.217 N/A CYS 607.A SG PHE 610.A O no hydrogen 2.947 N/A LYS 609.A NZ GLU 727.A OE1 no hydrogen 3.069 N/A ASP 611.A N ARG 631.A O no hydrogen 3.075 N/A LYS 613.A N CYS 629.A O no hydrogen 3.069 N/A LYS 613.A NZ ASP 696.A OD2 no hydrogen 3.097 N/A THR 615.A N GLU 627.A O no hydrogen 3.299 N/A LYS 617.A N ILE 625.A O no hydrogen 3.163 N/A THR 623.A OG1 HIS 704.A ND1 no hydrogen 3.006 N/A MET 624.A N VAL 703.A O no hydrogen 3.045 N/A ILE 625.A N LYS 617.A O no hydrogen 2.734 N/A LEU 626.A N PHE 701.A O no hydrogen 3.261 N/A GLU 627.A N THR 615.A O no hydrogen 3.281 N/A ILE 628.A N LEU 699.A O no hydrogen 2.741 N/A CYS 629.A N LYS 613.A O no hydrogen 3.092 N/A CYS 629.A SG GLU 627.A OE2 no hydrogen 3.810 N/A ARG 631.A NE ASP 611.A OD2 no hydrogen 3.346 N/A ARG 631.A NH1 HIS 693.A O no hydrogen 3.117 N/A ARG 631.A NH2 ASP 611.A OD2 no hydrogen 2.953 N/A ARG 633.A N LYS 609.A O no hydrogen 3.269 N/A ARG 633.A NE ASP 611.A OD1 no hydrogen 3.329 N/A SER 641.A N LEU 688.A O no hydrogen 2.973 N/A ILE 642.A N TYR 720.A O no hydrogen 2.943 N/A LEU 643.A N ILE 686.A O no hydrogen 3.168 N/A ASP 644.A N LYS 718.A O no hydrogen 3.082 N/A ILE 645.A N LEU 684.A O no hydrogen 2.808 N/A SER 646.A N ALA 716.A O no hydrogen 2.883 N/A SER 646.A OG GLU 95.A OE1 no hydrogen 3.471 N/A SER 646.A OG GLU 95.A OE2 no hydrogen 3.180 N/A SER 646.A OG ALA 716.A O no hydrogen 3.093 N/A MET 647.A N ASN 682.A O no hydrogen 2.889 N/A PHE 651.A N MET 648.A O no hydrogen 2.816 N/A ALA 652.A N HIS 704.A O no hydrogen 2.893 N/A ASP 654.A N LYS 702.A O no hydrogen 2.847 N/A THR 655.A OG1 ASP 656.A OD1 no hydrogen 3.366 N/A LEU 658.A N ASP 654.A O no hydrogen 3.160 N/A LYS 659.A N THR 655.A O no hydrogen 3.165 N/A LEU 661.A N ASP 657.A O no hydrogen 3.227 N/A ALA 662.A N LEU 658.A O no hydrogen 2.926 N/A ASN 663.A N LYS 659.A O no hydrogen 3.209 N/A TYR 668.A N TYR 687.A O no hydrogen 3.125 N/A GLU 673.A N SER 670.A O no hydrogen 2.807 N/A LEU 674.A N SER 670.A O no hydrogen 3.350 N/A LEU 674.A N LYS 671.A O no hydrogen 3.235 N/A LYS 676.A N LEU 674.A O no hydrogen 3.093 N/A SER 679.A N LYS 676.A O no hydrogen 3.397 N/A ARG 681.A NH2 LEU 674.A O no hydrogen 3.414 N/A ASN 682.A ND2 SER 144.A O no hydrogen 3.279 N/A LEU 684.A N ILE 645.A O no hydrogen 2.958 N/A ILE 686.A N LEU 643.A O no hydrogen 3.067 N/A TYR 687.A N TYR 668.A O no hydrogen 3.022 N/A LEU 688.A N SER 641.A O no hydrogen 2.897 N/A ASP 689.A N ASP 666.A O no hydrogen 3.185 N/A LYS 690.A NZ ASP 637.A OD2 no hydrogen 3.544 N/A VAL 691.A N ALA 638.A O no hydrogen 3.229 N/A SER 692.A N ASP 697.A OD2 no hydrogen 3.196 N/A SER 694.A N SER 692.A OG no hydrogen 3.168 N/A ASP 697.A N THR 630.A O no hydrogen 2.978 N/A CYS 698.A SG ASP 696.A O no hydrogen 3.710 N/A LEU 699.A N ILE 628.A O no hydrogen 3.037 N/A PHE 701.A N LEU 626.A O no hydrogen 3.350 N/A LYS 702.A N ASP 657.A OD2 no hydrogen 2.966 N/A VAL 703.A N MET 624.A O no hydrogen 2.842 N/A HIS 704.A N ALA 652.A O no hydrogen 2.980 N/A GLN 705.A NE2 PHE 707.A O no hydrogen 3.400 N/A PHE 707.A N GLY 650.A O no hydrogen 3.446 N/A GLN 713.A NE2 PRO 146.A O no hydrogen 3.586 N/A GLY 715.A N TYR 733.A O no hydrogen 3.091 N/A ALA 716.A N SER 646.A O no hydrogen 3.345 N/A VAL 717.A N ARG 731.A O no hydrogen 2.869 N/A LYS 718.A N ASP 644.A O no hydrogen 3.065 N/A VAL 719.A N CYS 729.A O no hydrogen 3.234 N/A SER 728.A OG LEU 725.A O no hydrogen 3.453 N/A CYS 729.A N VAL 719.A O no hydrogen 3.402 N/A ARG 731.A N VAL 717.A O no hydrogen 3.023 N/A TYR 733.A N GLY 715.A O no hydrogen 3.203 N/A TYR 733.A OH SER 646.A O no hydrogen 2.982 N/A GLU 736.A N HIS 734.A ND1 no hydrogen 2.871 N/A LYS 737.A N HIS 734.A ND1 no hydrogen 2.823 N/A LYS 737.A NZ GLU 755.A OE1 no hydrogen 3.465 N/A LYS 737.A NZ GLU 755.A OE2 no hydrogen 2.874 N/A GLY 740.A N LYS 737.A O no hydrogen 3.401 N/A LYS 741.A N GLU 738.A O no hydrogen 2.995 N/A ASN 743.A N GLU 755.A OE2 no hydrogen 3.004 N/A CYS 746.A SG LYS 744.A O no hydrogen 3.278 N/A ARG 747.A N LEU 750.A O no hydrogen 3.242 N/A LEU 750.A N ARG 747.A O no hydrogen 3.061 N/A ARG 752.A N LEU 745.A O no hydrogen 3.400 N/A CYS 753.A SG SER 123.A O no hydrogen 3.510 N/A ALA 754.A N ASN 743.A O no hydrogen 3.173 N/A THR 766.A OG1 GLU 768.A OE1 no hydrogen 3.384 N/A ARG 770.A N THR 766.A O no hydrogen 3.439 N/A ARG 770.A N LEU 767.A O no hydrogen 3.112 N/A ARG 770.A NE GLU 867.A OE1 no hydrogen 3.160 N/A ARG 770.A NH2 GLU 867.A OE2 no hydrogen 3.140 N/A LEU 771.A N LEU 767.A O no hydrogen 3.211 N/A ASP 772.A N GLU 768.A O no hydrogen 3.241 N/A LYS 773.A N GLU 769.A O no hydrogen 3.234 N/A ALA 774.A N LEU 771.A O no hydrogen 3.370 N/A CYS 775.A N ASP 772.A O no hydrogen 3.302 N/A CYS 775.A SG LEU 771.A O no hydrogen 3.301 N/A ASP 780.A N GLY 844.A O no hydrogen 3.089 N/A VAL 782.A N LYS 808.A O no hydrogen 3.436 N/A TYR 783.A N MET 842.A O no hydrogen 3.135 N/A TYR 783.A OH TYR 858.A OH no hydrogen 3.294 N/A LYS 784.A N GLN 805.A O no hydrogen 3.296 N/A THR 785.A N TYR 840.A O no hydrogen 2.911 N/A ARG 786.A N ALA 802.A O no hydrogen 2.822 N/A ARG 786.A NE GLU 804.A OE2 no hydrogen 2.946 N/A ARG 786.A NH2 GLU 804.A OE2 no hydrogen 3.192 N/A LEU 787.A N LYS 838.A O no hydrogen 2.922 N/A VAL 788.A N ILE 800.A O no hydrogen 2.979 N/A SER 793.A N ASP 797.A OD1 no hydrogen 3.354 N/A ASP 797.A N SER 824.A O no hydrogen 3.299 N/A GLU 798.A N GLN 791.A O no hydrogen 2.819 N/A TYR 799.A N PHE 822.A O no hydrogen 2.756 N/A ILE 800.A N LYS 789.A O no hydrogen 3.086 N/A MET 801.A N ARG 820.A O no hydrogen 3.043 N/A ALA 802.A N ARG 786.A O no hydrogen 3.018 N/A GLU 804.A N LYS 784.A O no hydrogen 2.831 N/A LYS 808.A N VAL 782.A O no hydrogen 3.131 N/A LYS 808.A NZ ALA 774.A O no hydrogen 2.698 N/A SER 811.A N ASP 780.A OD2 no hydrogen 3.266 N/A SER 811.A OG ASP 780.A OD2 no hydrogen 2.760 N/A GLY 817.A N ILE 803.A O no hydrogen 3.314 N/A GLN 818.A N GLN 815.A O no hydrogen 3.217 N/A ARG 820.A N MET 801.A O no hydrogen 3.091 N/A ARG 820.A NE GLN 819.A O no hydrogen 3.079 N/A ARG 820.A NH1 ASP 812.A OD2 no hydrogen 3.487 N/A PHE 822.A N TYR 799.A O no hydrogen 2.965 N/A ILE 823.A N TYR 858.A O no hydrogen 2.886 N/A CYS 828.A N PRO 825.A O no hydrogen 3.424 N/A ARG 829.A N ILE 826.A O no hydrogen 3.027 N/A ALA 831.A N CYS 828.A O no hydrogen 3.062 N/A LEU 832.A N CYS 828.A O no hydrogen 2.873 N/A LYS 833.A N ARG 829.A O no hydrogen 3.313 N/A GLU 835.A N TYR 840.A OH no hydrogen 3.034 N/A LYS 837.A N LEU 787.A O no hydrogen 2.660 N/A TYR 840.A N THR 785.A O no hydrogen 2.756 N/A LEU 841.A N GLU 867.A O no hydrogen 2.825 N/A MET 842.A N TYR 783.A O no hydrogen 3.117 N/A TRP 843.A N TRP 865.A O no hydrogen 3.296 N/A LEU 845.A N ASP 848.A OD2 no hydrogen 3.286 N/A ASP 848.A N LEU 845.A O no hydrogen 3.310 N/A TYR 858.A OH TYR 783.A OH no hydrogen 3.294 N/A TYR 858.A OH ASP 812.A OD2 no hydrogen 2.746 N/A ILE 859.A N ASP 848.A O no hydrogen 2.783 N/A ILE 860.A N ILE 823.A O no hydrogen 2.828 N/A GLY 861.A N ILE 859.A O no hydrogen 3.072 N/A GLY 861.A N THR 864.A OG1 no hydrogen 3.138 N/A LYS 862.A NZ GLU 756.A OE1 no hydrogen 3.105 N/A THR 864.A N GLY 861.A O no hydrogen 3.157 N/A THR 864.A OG1 ASP 848.A OD2 no hydrogen 3.180 N/A THR 864.A OG1 ILE 859.A O no hydrogen 3.230 N/A TRP 865.A N TRP 843.A O no hydrogen 2.801 N/A GLU 867.A N LEU 841.A O no hydrogen 3.008 N/A TRP 869.A N HIS 839.A O no hydrogen 2.888 N/A GLU 871.A N GLU 874.A OE1 no hydrogen 3.449 N/A GLU 874.A N GLU 871.A O no hydrogen 3.061 N/A CYS 875.A N GLU 871.A O no hydrogen 3.068 N/A CYS 875.A N GLU 872.A O no hydrogen 2.995 N/A CYS 875.A SG PRO 870.A O no hydrogen 3.165 N/A CYS 875.A SG GLU 871.A O no hydrogen 3.203 N/A GLN 876.A NE2 GLU 872.A O no hydrogen 3.660 N/A ASP 877.A N GLU 874.A O no hydrogen 3.450 N/A ASN 880.A N ASP 877.A O no hydrogen 3.217 N/A ASN 880.A ND2 GLU 874.A O no hydrogen 3.315 N/A GLN 881.A N ASP 877.A O no hydrogen 3.280 N/A GLN 881.A NE2 GLN 876.A O no hydrogen 3.230 N/A GLN 883.A N ASN 880.A O no hydrogen 2.936 N/A GLN 883.A NE2 GLU 867.A OE2 no hydrogen 3.158 N/A CYS 884.A N ASN 880.A O no hydrogen 2.827 N/A CYS 884.A SG ASN 880.A O no hydrogen 3.482 N/A GLN 885.A N GLN 881.A O no hydrogen 3.302 N/A LEU 887.A N GLN 883.A O no hydrogen 3.077 N/A GLY 888.A N CYS 884.A O no hydrogen 2.799 N/A ALA 889.A N GLN 885.A O no hydrogen 3.144 N/A PHE 890.A N ASP 886.A O no hydrogen 2.859 N/A THR 891.A N LEU 887.A O no hydrogen 2.929 N/A THR 891.A OG1 LEU 887.A O no hydrogen 3.197 N/A GLU 892.A N GLY 888.A O no hydrogen 3.276 N/A SER 893.A N ALA 889.A O no hydrogen 2.958 N/A MET 894.A N PHE 890.A O no hydrogen 2.998 N/A MET 894.A N THR 891.A O no hydrogen 3.149 N/A VAL 895.A N THR 891.A O no hydrogen 2.945 N/A VAL 895.A N GLU 892.A O no hydrogen 3.288 N/A VAL 896.A N GLU 892.A O no hydrogen 2.887 N/A GLY 898.A N SER 893.A O no hydrogen 3.155 N/A CYS 899.A SG ALA 774.A O no hydrogen 4.043 N/A