Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sga_F3.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLU 28.A OE2 no hydrogen 2.721 N/A THR 8.A N VAL 24.A O no hydrogen 2.924 N/A VAL 10.A N PHE 22.A O no hydrogen 2.941 N/A TYR 12.A N PHE 20.A O no hydrogen 2.890 N/A ASN 14.A N ARG 18.A O no hydrogen 2.905 N/A LYS 15.A NZ TYR 12.A OH no hydrogen 3.409 N/A PHE 20.A N TYR 12.A O no hydrogen 2.924 N/A PHE 22.A N VAL 10.A O no hydrogen 2.866 N/A VAL 24.A N THR 8.A O no hydrogen 2.869 N/A VAL 26.A N GLY 6.A O no hydrogen 2.494 N/A SER 27.A OG GLU 28.A O no hydrogen 3.521 N/A ARG 44.A NH1 GLU 45.A O no hydrogen 2.415 N/A SER 49.A N ASP 47.A OD1 no hydrogen 3.235 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 3.055 N/A SER 49.A OG ASP 47.A OD2 no hydrogen 3.563 N/A CYS 51.A SG THR 48.A O no hydrogen 3.930 N/A ASP 58.A N ASP 55.A O no hydrogen 3.399 N/A SER 62.A N ASP 65.A OD2 no hydrogen 3.073 N/A SER 62.A OG ASP 65.A OD2 no hydrogen 3.227 N/A ASP 65.A N SER 62.A O no hydrogen 3.306 N/A GLU 66.A N PRO 63.A O no hydrogen 2.965 N/A CYS 67.A N VAL 64.A O no hydrogen 3.309 N/A CYS 67.A SG PRO 63.A O no hydrogen 3.919 N/A ASP 75.A N SER 72.A O no hydrogen 3.352 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 3.299 N/A GLN 80.A N LYS 76.A O no hydrogen 2.957 N/A GLU 81.A N ARG 77.A O no hydrogen 2.874 N/A VAL 82.A N LEU 78.A O no hydrogen 2.888 N/A ARG 83.A N ILE 79.A O no hydrogen 2.928 N/A ARG 83.A NH1 GLU 156.A O no hydrogen 2.941 N/A ARG 83.A NH1 GLU 159.A OE1 no hydrogen 3.519 N/A GLU 84.A N GLN 80.A O no hydrogen 2.933 N/A ARG 85.A N GLU 81.A O no hydrogen 2.916 N/A ARG 85.A NH1 PRO 63.A O no hydrogen 2.983 N/A PHE 86.A N VAL 82.A O no hydrogen 2.937 N/A VAL 87.A N ARG 83.A O no hydrogen 2.920 N/A SER 88.A N GLU 84.A O no hydrogen 2.920 N/A SER 88.A OG GLU 84.A O no hydrogen 2.856 N/A PHE 89.A N ARG 85.A O no hydrogen 2.915 N/A CYS 90.A N PHE 86.A O no hydrogen 2.957 N/A CYS 90.A SG PHE 86.A O no hydrogen 3.325 N/A ARG 91.A N VAL 87.A O no hydrogen 2.895 N/A GLU 92.A N SER 88.A O no hydrogen 2.893 N/A TYR 93.A N PHE 89.A O no hydrogen 2.996 N/A TYR 93.A OH PHE 170.A O no hydrogen 2.901 N/A VAL 94.A N CYS 90.A O no hydrogen 2.940 N/A LEU 95.A N ARG 91.A O no hydrogen 2.933 N/A LYS 102.A N ARG 121.A O no hydrogen 2.930 N/A SER 103.A OG HIS 176.A NE2 no hydrogen 2.661 N/A GLU 109.A N LEU 106.A O no hydrogen 3.466 N/A TYR 116.A N ASP 115.A OD1 no hydrogen 2.640 N/A TYR 119.A OH GLU 52.A OE2 no hydrogen 2.488 N/A ARG 122.A N HIS 118.A O no hydrogen 3.266 N/A ARG 122.A NH1 THR 104.A O no hydrogen 2.505 N/A ARG 122.A NH2 THR 104.A O no hydrogen 3.064 N/A LEU 123.A N TYR 119.A O no hydrogen 2.811 N/A ARG 125.A NH1 PHE 170.A O no hydrogen 3.329 N/A LYS 126.A NZ ASP 179.A OD1 no hydrogen 3.066 N/A ARG 127.A N LEU 123.A O no hydrogen 3.070 N/A ARG 127.A NH2 GLU 52.A OE1 no hydrogen 2.590 N/A ARG 127.A NH2 GLU 52.A OE2 no hydrogen 3.181 N/A HIS 128.A N ARG 124.A O no hydrogen 2.921 N/A TRP 129.A N ARG 125.A O no hydrogen 2.939 N/A TRP 129.A NE1 GLU 185.A O no hydrogen 2.736 N/A LEU 130.A N LYS 126.A O no hydrogen 2.950 N/A ALA 131.A N ARG 127.A O no hydrogen 2.895 N/A ILE 132.A N HIS 128.A O no hydrogen 2.913 N/A ARG 133.A N TRP 129.A O no hydrogen 2.951 N/A ARG 133.A NE GLU 185.A O no hydrogen 2.938 N/A ARG 133.A NH1 LEU 187.A O no hydrogen 3.096 N/A HIS 134.A N LEU 130.A O no hydrogen 2.938 N/A ARG 135.A N ALA 131.A O no hydrogen 2.891 N/A PHE 136.A N ILE 132.A O no hydrogen 2.858 N/A GLU 137.A N ARG 133.A O no hydrogen 2.993 N/A ASP 138.A N ARG 135.A O no hydrogen 3.218 N/A ARG 140.A N PHE 136.A O no hydrogen 3.278 N/A VAL 142.A N VAL 139.A O no hydrogen 2.657 N/A ILE 143.A N VAL 139.A O no hydrogen 3.275 N/A TRP 144.A NE1 MET 157.A O no hydrogen 3.288 N/A THR 153.A N GLU 156.A OE2 no hydrogen 2.809 N/A MET 157.A N THR 153.A O no hydrogen 3.297 N/A LEU 158.A N ALA 154.A O no hydrogen 2.904 N/A GLU 159.A N GLY 155.A O no hydrogen 2.900 N/A ALA 160.A N GLU 156.A O no hydrogen 2.927 N/A LEU 161.A N MET 157.A O no hydrogen 2.927 N/A LEU 162.A N LEU 158.A O no hydrogen 2.856 N/A TRP 163.A N GLU 159.A O no hydrogen 2.972 N/A LEU 164.A N ALA 160.A O no hydrogen 2.925 N/A ASP 165.A N LEU 161.A O no hydrogen 2.887 N/A ALA 166.A N LEU 162.A O no hydrogen 2.900 N/A ALA 167.A N TRP 163.A O no hydrogen 2.929 N/A SER 168.A N LEU 164.A O no hydrogen 2.893 N/A THR 169.A N ASP 165.A O no hydrogen 2.908 N/A THR 169.A OG1 ASP 165.A O no hydrogen 3.144 N/A THR 169.A OG1 ALA 166.A O no hydrogen 3.118 N/A CYS 171.A SG SER 168.A O no hydrogen 3.481 N/A CYS 171.A SG PHE 186.A O no hydrogen 3.974 N/A LYS 174.A NZ SER 103.A O no hydrogen 3.331 N/A HIS 176.A N ASP 179.A OD2 no hydrogen 3.009 N/A HIS 176.A NE2 SER 103.A OG no hydrogen 2.661 N/A SER 178.A OG GLU 109.A O no hydrogen 2.345 N/A ASP 179.A N HIS 176.A O no hydrogen 3.373 N/A SER 184.A OG ASP 182.A OD2 no hydrogen 2.773 N/A GLU 185.A N ASP 182.A O no hydrogen 3.464 N/A PHE 186.A N LYS 183.A O no hydrogen 2.935 N/A LEU 189.A N SER 168.A OG no hydrogen 2.707 N/A ARG 193.A NE GLU 194.A OE1 no hydrogen 3.284 N/A ARG 193.A NH1 TRP 144.A O no hydrogen 2.951 N/A ARG 193.A NH1 ASP 146.A OD1 no hydrogen 2.846 N/A ARG 193.A NH2 TRP 144.A O no hydrogen 2.803 N/A ARG 193.A NH2 GLU 194.A OE1 no hydrogen 3.039 N/A VAL 195.A N LEU 191.A O no hydrogen 3.335 N/A VAL 197.A N ARG 193.A O no hydrogen 2.943 N/A VAL 198.A N GLU 194.A O no hydrogen 2.913 N/A ALA 199.A N VAL 195.A O no hydrogen 2.870 N/A CYS 200.A N GLU 196.A O no hydrogen 2.911 N/A HIS 201.A N VAL 197.A O no hydrogen 2.956 N/A HIS 201.A ND1 VAL 197.A O no hydrogen 3.204 N/A ALA 202.A N VAL 198.A O no hydrogen 2.861 N/A ALA 202.A N ALA 199.A O no hydrogen 3.286 N/A ARG 203.A N ALA 199.A O no hydrogen 2.923 N/A LEU 216.A N SER 212.A O no hydrogen 2.868 N/A GLU 217.A N ALA 213.A O no hydrogen 2.940 N/A GLN 218.A N THR 214.A O no hydrogen 2.907 N/A PHE 219.A N SER 215.A O no hydrogen 2.860 N/A THR 220.A N LEU 216.A O no hydrogen 2.950 N/A THR 220.A OG1 LEU 216.A O no hydrogen 2.984 N/A ALA 221.A N GLU 217.A O no hydrogen 2.908 N/A CYS 222.A N GLN 218.A O no hydrogen 2.874 N/A CYS 222.A SG GLN 218.A O no hydrogen 3.236 N/A ALA 223.A N PHE 219.A O no hydrogen 2.960 N/A ALA 224.A N THR 220.A O no hydrogen 2.909 N/A LEU 225.A N ALA 221.A O no hydrogen 2.903 N/A CYS 226.A N CYS 222.A O no hydrogen 2.958 N/A CYS 226.A SG CYS 222.A O no hydrogen 3.492 N/A CYS 226.A SG PRO 232.A O no hydrogen 3.935 N/A VAL 227.A N ALA 223.A O no hydrogen 2.912 N/A ASN 228.A N ALA 224.A O no hydrogen 2.929 N/A HIS 229.A N LEU 225.A O no hydrogen 3.192 N/A VAL 231.A N CYS 226.A O no hydrogen 3.240 N/A LEU 235.A N PRO 232.A O no hydrogen 3.400 N/A PHE 236.A N PHE 233.A O no hydrogen 2.961 N/A PHE 237.A N SER 234.A O no hydrogen 3.418 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 3.010 N/A GLN 252.A NE2 LYS 284.A O no hydrogen 3.314 N/A CYS 253.A N SER 249.A O no hydrogen 3.338 N/A CYS 253.A SG ASN 257.A OD1 no hydrogen 3.673 N/A ILE 254.A N THR 250.A O no hydrogen 2.900 N/A VAL 255.A N GLY 251.A O no hydrogen 2.901 N/A ALA 256.A N GLN 252.A O no hydrogen 2.908 N/A ASN 257.A N CYS 253.A O no hydrogen 3.256 N/A ASN 257.A N ILE 254.A O no hydrogen 3.333 N/A HIS 262.A ND1 GLU 311.A OE1 no hydrogen 2.463 N/A VAL 268.A N ALA 264.A O no hydrogen 2.921 N/A ARG 269.A N LEU 265.A O no hydrogen 2.951 N/A ILE 270.A N GLY 266.A O no hydrogen 2.953 N/A MET 271.A N ALA 267.A O no hydrogen 2.883 N/A ALA 272.A N VAL 268.A O no hydrogen 2.889 N/A LEU 273.A N ARG 269.A O no hydrogen 2.932 N/A ILE 274.A N ILE 270.A O no hydrogen 2.914 N/A SER 275.A OG MET 271.A O no hydrogen 3.270 N/A GLU 276.A N ALA 272.A O no hydrogen 2.916 N/A GLY 277.A N LEU 273.A O no hydrogen 2.892 N/A SER 278.A OG ILE 274.A O no hydrogen 2.861 N/A SER 278.A OG THR 285.A OG1 no hydrogen 3.213 N/A LYS 284.A NZ ASP 281.A OD1 no hydrogen 3.423 N/A THR 285.A N ASP 281.A O no hydrogen 3.156 N/A THR 285.A OG1 SER 278.A OG no hydrogen 3.213 N/A THR 285.A OG1 ASP 281.A O no hydrogen 2.413 N/A ASP 290.A N ALA 294.A O no hydrogen 2.750 N/A THR 296.A N PHE 288.A O no hydrogen 2.505 N/A THR 296.A OG1 ASP 290.A OD1 no hydrogen 2.358 N/A ARG 297.A N PHE 288.A O no hydrogen 3.288 N/A ARG 297.A NH2 LYS 284.A O no hydrogen 3.464 N/A ARG 297.A NH2 MET 287.A O no hydrogen 3.261 N/A ARG 302.A N PHE 298.A O no hydrogen 2.894 N/A GLY 303.A N GLY 299.A O no hydrogen 2.937 N/A LEU 304.A N ILE 300.A O no hydrogen 2.894 N/A SER 305.A N LEU 301.A O no hydrogen 2.920 N/A SER 305.A OG LEU 301.A O no hydrogen 3.165 N/A SER 305.A OG ARG 302.A O no hydrogen 2.933 N/A ARG 306.A N ARG 302.A O no hydrogen 3.277 N/A ARG 306.A NE ALA 258.A O no hydrogen 2.534 N/A ARG 306.A NH2 ALA 256.A O no hydrogen 2.735 N/A ARG 306.A NH2 ALA 258.A O no hydrogen 3.514 N/A VAL 307.A N GLY 303.A O no hydrogen 2.953 N/A SER 309.A OG PRO 261.A O no hydrogen 2.820 N/A ALA 312.A N SER 309.A O no hydrogen 3.366 N/A PHE 313.A N SER 309.A O no hydrogen 3.016 N/A VAL 322.A N LEU 319.A O no hydrogen 3.465 N/A LEU 327.A N ASN 323.A O no hydrogen 3.316 N/A CYS 328.A SG GLU 324.A O no hydrogen 3.271 N/A ILE 330.A N GLU 326.A O no hydrogen 2.960 N/A LEU 331.A N LEU 327.A O no hydrogen 2.927 N/A HIS 332.A N CYS 328.A O no hydrogen 2.871 N/A PHE 333.A N ILE 329.A O no hydrogen 2.924 N/A CYS 334.A N ILE 330.A O no hydrogen 2.966 N/A CYS 334.A SG ILE 330.A O no hydrogen 3.299 N/A ALA 335.A N LEU 331.A O no hydrogen 2.887 N/A GLU 336.A N HIS 332.A O no hydrogen 2.900 N/A VAL 337.A N PHE 333.A O no hydrogen 2.963 N/A ARG 338.A N CYS 334.A O no hydrogen 2.950 N/A GLU 339.A N ALA 335.A O no hydrogen 2.861 N/A GLN 340.A N GLU 336.A O no hydrogen 2.947 N/A ASN 341.A N VAL 337.A O no hydrogen 3.314 N/A ASN 341.A ND2 SER 289.A OG no hydrogen 2.855 N/A PHE 345.A N ASN 341.A O no hydrogen 3.105 N/A ARG 346.A N ALA 342.A O no hydrogen 2.942 N/A ARG 347.A NH1 PHE 292.A O no hydrogen 3.440 N/A TYR 348.A N PHE 344.A O no hydrogen 2.931 N/A GLU 349.A N PHE 345.A O no hydrogen 2.923 N/A SER 361.A OG PRO 357.A O no hydrogen 3.348 N/A SER 361.A OG GLN 358.A O no hydrogen 2.503 N/A PHE 362.A N GLN 358.A O no hydrogen 2.937 N/A LEU 363.A N GLN 359.A O no hydrogen 2.895 N/A ALA 364.A N VAL 360.A O no hydrogen 2.919 N/A LYS 365.A N SER 361.A O no hydrogen 2.935 N/A LYS 365.A NZ SER 305.A O no hydrogen 3.093 N/A TYR 366.A N PHE 362.A O no hydrogen 2.897 N/A TYR 366.A OH CYS 334.A O no hydrogen 2.757 N/A GLN 367.A N LEU 363.A O no hydrogen 2.936 N/A GLN 368.A N ALA 364.A O no hydrogen 2.941 N/A LEU 369.A N LYS 365.A O no hydrogen 2.918 N/A SER 370.A N TYR 366.A O no hydrogen 2.934 N/A SER 370.A OG TYR 366.A O no hydrogen 3.003 N/A SER 370.A OG GLN 367.A O no hydrogen 2.895 N/A GLN 371.A N GLN 367.A O no hydrogen 2.944 N/A ILE 372.A N GLN 368.A O no hydrogen 2.957 N/A ALA 373.A N LEU 369.A O no hydrogen 2.928 N/A LEU 374.A N SER 370.A O no hydrogen 2.957 N/A ALA 375.A N GLN 371.A O no hydrogen 2.912 N/A ARG 376.A N ILE 372.A O no hydrogen 2.897 N/A CYS 377.A N ALA 373.A O no hydrogen 2.951 N/A LYS 378.A N LEU 374.A O no hydrogen 2.940 N/A ARG 379.A N ALA 375.A O no hydrogen 2.876 N/A LEU 380.A N ARG 376.A O no hydrogen 2.940 N/A LEU 381.A N CYS 377.A O no hydrogen 2.919 N/A TYR 382.A N LYS 378.A O no hydrogen 2.912 N/A TYR 382.A OH ASP 463.A OD2 no hydrogen 2.415 N/A HIS 383.A N ARG 379.A O no hydrogen 3.235 N/A ASP 385.A N VAL 431.A O no hydrogen 3.219 N/A ALA 389.A N SER 386.A O no hydrogen 2.986 N/A VAL 391.A N ARG 429.A O no hydrogen 3.304 N/A MET 392.A N ASN 321.A OD1 no hydrogen 3.133 N/A TYR 397.A N GLN 426.A OE1 no hydrogen 2.843 N/A VAL 401.A N ILE 398.A O no hydrogen 3.355 N/A LEU 403.A N PRO 399.A O no hydrogen 2.909 N/A GLN 404.A N LEU 400.A O no hydrogen 2.927 N/A GLN 404.A NE2 ILE 416.A O no hydrogen 2.709 N/A ARG 405.A N VAL 401.A O no hydrogen 2.934 N/A HIS 406.A N GLU 402.A O no hydrogen 3.358 N/A LYS 412.A NZ GLY 409.A O no hydrogen 2.644 N/A ALA 413.A N ASN 411.A OD1 no hydrogen 3.344 N/A ALA 414.A N ASN 411.A O no hydrogen 3.202 N/A ILE 416.A N GLN 404.A OE1 no hydrogen 3.407 N/A GLY 421.A N HIS 417.A O no hydrogen 2.766 N/A ILE 422.A N TYR 418.A O no hydrogen 3.104 N/A ARG 423.A N LEU 420.A O no hydrogen 3.369 N/A SER 424.A OG LEU 420.A O no hydrogen 2.591 N/A GLN 426.A N TYR 397.A O no hydrogen 3.025 N/A GLY 434.A N GLU 324.A OE2 no hydrogen 2.890 N/A SER 437.A OG GLU 324.A OE2 no hydrogen 2.891 N/A SER 438.A N GLY 434.A O no hydrogen 3.081 N/A SER 438.A OG GLY 434.A O no hydrogen 2.611 N/A ALA 439.A N ALA 435.A O no hydrogen 2.960 N/A LEU 441.A N SER 437.A O no hydrogen 2.897 N/A ALA 442.A N SER 438.A O no hydrogen 2.924 N/A GLU 443.A N ARG 440.A O no hydrogen 3.163 N/A LEU 444.A N ARG 440.A O no hydrogen 2.953 N/A VAL 445.A N LEU 441.A O no hydrogen 2.917 N/A SER 446.A OG ALA 442.A O no hydrogen 3.034 N/A SER 446.A OG GLU 443.A O no hydrogen 2.507 N/A ARG 447.A N GLU 443.A O no hydrogen 2.894 N/A LEU 448.A N LEU 444.A O no hydrogen 2.959 N/A LEU 448.A N VAL 445.A O no hydrogen 3.146 N/A ALA 453.A N GLU 450.A O no hydrogen 3.445 N/A VAL 455.A N GLU 497.A OE2 no hydrogen 2.938 N/A SER 456.A N GLU 497.A OE1 no hydrogen 2.743 N/A SER 456.A OG GLU 497.A OE1 no hydrogen 3.054 N/A ASN 462.A ND2 SER 456.A O no hydrogen 2.456 N/A LEU 464.A N LEU 460.A O no hydrogen 3.030 N/A VAL 465.A N VAL 461.A O no hydrogen 2.917 N/A HIS 466.A N ASN 462.A O no hydrogen 2.906 N/A HIS 467.A N ASP 463.A O no hydrogen 2.862 N/A HIS 467.A NE2 LEU 433.A O no hydrogen 3.296 N/A LEU 468.A N LEU 464.A O no hydrogen 2.914 N/A SER 469.A N VAL 465.A O no hydrogen 2.948 N/A SER 469.A OG VAL 465.A O no hydrogen 3.417 N/A SER 469.A OG HIS 466.A O no hydrogen 2.866 N/A HIS 470.A N HIS 466.A O no hydrogen 2.887 N/A LYS 471.A N HIS 467.A O no hydrogen 2.928 N/A ALA 472.A N LEU 468.A O no hydrogen 2.897 N/A ALA 473.A N SER 469.A O no hydrogen 2.918 N/A ALA 474.A N HIS 470.A O no hydrogen 3.083 N/A GLY 475.A N ALA 472.A O no hydrogen 3.464 N/A LYS 476.A N LYS 471.A O no hydrogen 2.928 N/A MET 477.A N LYS 471.A O no hydrogen 3.185 N/A THR 480.A N GLU 483.A OE1 no hydrogen 2.735 N/A THR 480.A OG1 GLU 483.A OE1 no hydrogen 2.476 N/A VAL 484.A N THR 480.A O no hydrogen 3.410 N/A ASN 485.A N LEU 481.A O no hydrogen 2.922 N/A ASN 485.A ND2 GLU 530.A O no hydrogen 3.135 N/A THR 486.A N ARG 482.A O no hydrogen 2.935 N/A THR 486.A OG1 ARG 482.A O no hydrogen 2.414 N/A LEU 487.A N GLU 483.A O no hydrogen 2.895 N/A LEU 488.A N VAL 484.A O no hydrogen 2.957 N/A LEU 491.A N LEU 487.A O no hydrogen 3.068 N/A SER 492.A N LEU 488.A O no hydrogen 2.960 N/A SER 492.A OG LEU 488.A O no hydrogen 3.560 N/A SER 492.A OG PRO 489.A O no hydrogen 2.642 N/A ARG 493.A N PRO 489.A O no hydrogen 2.894 N/A MET 494.A N LEU 490.A O no hydrogen 2.924 N/A ARG 495.A N LEU 491.A O no hydrogen 2.916 N/A ARG 496.A N SER 492.A O no hydrogen 2.931 N/A GLU 497.A N ARG 493.A O no hydrogen 2.934 N/A SER 498.A N ARG 495.A O no hydrogen 3.395 N/A SER 498.A OG ARG 495.A O no hydrogen 2.611 N/A SER 498.A OG ASN 500.A O no hydrogen 2.329 N/A SER 498.A OG ALA 502.A O no hydrogen 3.306 N/A PHE 507.A N ASP 504.A O no hydrogen 3.476 N/A VAL 510.A N PHE 507.A O no hydrogen 2.940 N/A PHE 511.A N PHE 507.A O no hydrogen 3.026 N/A ASN 512.A N ASP 508.A O no hydrogen 3.338 N/A ALA 513.A N ARG 509.A O no hydrogen 3.268 N/A ILE 514.A N VAL 510.A O no hydrogen 2.912 N/A ASP 515.A N PHE 511.A O no hydrogen 2.595 N/A THR 516.A N ASN 512.A O no hydrogen 3.018 N/A THR 516.A OG1 ASN 512.A O no hydrogen 3.558 N/A THR 516.A OG1 ALA 513.A O no hydrogen 3.549 N/A ALA 517.A N ILE 514.A O no hydrogen 2.933 N/A ILE 518.A N ILE 514.A O no hydrogen 2.987 N/A MET 522.A N ILE 518.A O no hydrogen 3.078 N/A ARG 523.A N ALA 520.A O no hydrogen 2.946 N/A HIS 524.A N ALA 521.A O no hydrogen 3.268 N/A CYS 526.A SG ALA 521.A O no hydrogen 3.248 N/A THR 527.A OG1 ASP 529.A OD2 no hydrogen 3.083 N/A LEU 531.A N THR 527.A O no hydrogen 3.347 N/A LEU 532.A N LEU 528.A O no hydrogen 2.932 N/A ASP 533.A N ASP 529.A O no hydrogen 2.913 N/A LEU 534.A N GLU 530.A O no hydrogen 2.898 N/A ALA 535.A N LEU 531.A O no hydrogen 2.914 N/A GLU 536.A N LEU 532.A O no hydrogen 2.911 N/A GLY 537.A N ASP 533.A O no hydrogen 2.894 N/A LEU 538.A N LEU 534.A O no hydrogen 2.903 N/A ALA 539.A N ALA 535.A O no hydrogen 2.922 N/A ALA 540.A N GLU 536.A O no hydrogen 2.895 N/A CYS 541.A N GLY 537.A O no hydrogen 3.440 N/A CYS 541.A SG LEU 488.A O no hydrogen 3.594 N/A CYS 541.A SG GLY 537.A O no hydrogen 3.251 N/A SER 546.A N ASP 515.A OD1 no hydrogen 2.961 N/A SER 546.A OG ASP 515.A OD1 no hydrogen 3.100 N/A SER 546.A OG ASP 515.A OD2 no hydrogen 3.340 N/A MET 553.A N LYS 549.A O no hydrogen 2.872 N/A VAL 554.A N GLN 550.A O no hydrogen 2.928 N/A LEU 555.A N VAL 551.A O no hydrogen 2.911 N/A ILE 556.A N GLU 552.A O no hydrogen 2.913 N/A ARG 557.A N MET 553.A O no hydrogen 3.387 N/A SER 558.A N LEU 555.A O no hydrogen 3.409 N/A SER 558.A OG VAL 554.A O no hydrogen 2.873 N/A VAL 559.A N ILE 556.A O no hydrogen 3.437 N/A CYS 564.A N MET 561.A O no hydrogen 3.448 N/A CYS 564.A SG SER 558.A O no hydrogen 3.656 N/A CYS 564.A SG VAL 559.A O no hydrogen 3.617 N/A CYS 564.A SG SER 565.A O no hydrogen 3.890 N/A LEU 569.A N SER 565.A O no hydrogen 2.977 N/A ARG 570.A N PRO 566.A O no hydrogen 2.919 N/A ARG 571.A N MET 567.A O no hydrogen 2.961 N/A MET 572.A N HIS 568.A O no hydrogen 2.925 N/A LEU 573.A N LEU 569.A O no hydrogen 2.903 N/A GLN 574.A N ARG 570.A O no hydrogen 2.945 N/A ALA 575.A N ARG 571.A O no hydrogen 2.945 N/A MET 576.A N MET 572.A O no hydrogen 2.915 N/A PHE 577.A N LEU 573.A O no hydrogen 2.910 N/A THR 578.A N GLN 574.A O no hydrogen 2.943 N/A THR 578.A OG1 GLN 574.A O no hydrogen 2.438 N/A LEU 579.A N ALA 575.A O no hydrogen 2.919 N/A MET 580.A N MET 576.A O no hydrogen 2.889 N/A ARG 581.A N PHE 577.A O no hydrogen 3.176 N/A ARG 581.A NH1 PHE 577.A O no hydrogen 2.913 N/A THR 582.A OG1 CYS 624.A O no hydrogen 2.568 N/A SER 583.A OG MET 580.A O no hydrogen 2.447 N/A LEU 589.A N GLN 586.A O no hydrogen 3.196 N/A GLN 590.A N GLN 586.A O no hydrogen 2.885 N/A SER 591.A N VAL 587.A O no hydrogen 2.923 N/A SER 591.A OG VAL 587.A O no hydrogen 2.792 N/A ALA 593.A N LEU 589.A O no hydrogen 2.945 N/A SER 594.A N GLN 590.A O no hydrogen 2.928 N/A SER 594.A OG GLN 590.A O no hydrogen 2.835 N/A SER 594.A OG SER 591.A O no hydrogen 2.777 N/A ARG 595.A N SER 591.A O no hydrogen 2.929 N/A ARG 595.A NE TYR 599.A OH no hydrogen 3.169 N/A ARG 595.A NH2 TYR 599.A OH no hydrogen 3.459 N/A VAL 596.A N VAL 592.A O no hydrogen 2.836 N/A ALA 597.A N ALA 593.A O no hydrogen 2.989 N/A TYR 599.A N ARG 595.A O no hydrogen 2.934 N/A ILE 600.A N VAL 596.A O no hydrogen 2.881 N/A LYS 601.A N ALA 597.A O no hydrogen 2.977 N/A GLU 602.A N ASP 598.A O no hydrogen 2.870 N/A ALA 603.A N TYR 599.A O no hydrogen 2.907 N/A SER 604.A N ILE 600.A O no hydrogen 2.909 N/A SER 604.A OG ILE 600.A O no hydrogen 2.283 N/A ASN 607.A N GLU 609.A OE1 no hydrogen 3.320 N/A GLU 610.A N GLU 610.A OE1 no hydrogen 2.868 N/A CYS 611.A SG ASN 607.A O no hydrogen 3.275 N/A GLU 612.A N HIS 608.A O no hydrogen 3.260 N/A GLN 613.A N GLU 609.A O no hydrogen 2.914 N/A LEU 614.A N GLU 610.A O no hydrogen 2.930 N/A LEU 615.A N CYS 611.A O no hydrogen 2.892 N/A GLU 616.A N GLU 612.A O no hydrogen 2.922 N/A LEU 617.A N GLN 613.A O no hydrogen 2.880 N/A LEU 618.A N LEU 614.A O no hydrogen 2.957 N/A VAL 619.A N LEU 615.A O no hydrogen 2.930 N/A VAL 620.A N GLU 616.A O no hydrogen 2.950 N/A LEU 621.A N LEU 617.A O no hydrogen 2.891 N/A GLY 622.A N LEU 618.A O no hydrogen 2.916 N/A LYS 623.A N VAL 619.A O no hydrogen 2.902 N/A LYS 623.A N VAL 620.A O no hydrogen 3.138 N/A CYS 624.A SG VAL 620.A O no hydrogen 3.334 N/A GLY 631.A N ALA 628.A O no hydrogen 3.129 N/A LEU 632.A N LEU 629.A O no hydrogen 3.146 N/A VAL 633.A N LEU 629.A O no hydrogen 2.934 N/A THR 634.A OG1 PRO 630.A O no hydrogen 2.538 N/A TYR 636.A N LEU 632.A O no hydrogen 2.925 N/A TRP 637.A N VAL 633.A O no hydrogen 2.884 N/A TRP 637.A N THR 634.A O no hydrogen 3.240 N/A TRP 637.A NE1 GLU 680.A OE1 no hydrogen 2.862 N/A GLU 638.A N THR 634.A O no hydrogen 3.205 N/A GLN 640.A NE2 ILE 642.A O no hydrogen 3.196 N/A ARG 652.A N ASN 648.A O no hydrogen 2.846 N/A CYS 653.A N PRO 649.A O no hydrogen 2.946 N/A CYS 653.A SG PRO 649.A O no hydrogen 3.319 N/A CYS 653.A SG ARG 650.A O no hydrogen 3.230 N/A CYS 653.A SG GLU 702.A OE2 no hydrogen 3.288 N/A SER 654.A N ARG 650.A O no hydrogen 2.918 N/A SER 654.A OG ARG 650.A O no hydrogen 2.756 N/A TYR 655.A N LEU 651.A O no hydrogen 2.882 N/A TYR 655.A OH GLU 680.A OE2 no hydrogen 3.351 N/A ALA 656.A N ARG 652.A O no hydrogen 2.940 N/A SER 657.A N CYS 653.A O no hydrogen 2.930 N/A SER 657.A OG CYS 653.A O no hydrogen 3.214 N/A SER 657.A OG SER 654.A O no hydrogen 2.731 N/A SER 657.A OG GLU 702.A OE1 no hydrogen 3.009 N/A LEU 658.A N SER 654.A O no hydrogen 2.900 N/A LEU 659.A N TYR 655.A O no hydrogen 2.907 N/A ALA 660.A N ALA 656.A O no hydrogen 2.925 N/A SER 661.A N SER 657.A O no hydrogen 2.914 N/A SER 661.A OG SER 657.A O no hydrogen 2.937 N/A SER 661.A OG LEU 658.A O no hydrogen 2.901 N/A ALA 662.A N LEU 658.A O no hydrogen 2.911 N/A ALA 663.A N LEU 659.A O no hydrogen 2.889 N/A PHE 664.A N ALA 660.A O no hydrogen 2.939 N/A LEU 666.A N ALA 662.A O no hydrogen 2.907 N/A HIS 669.A N LEU 666.A O no hydrogen 3.183 N/A ASP 670.A N LEU 666.A O no hydrogen 2.852 N/A LYS 671.A NZ LYS 667.A O no hydrogen 3.420 N/A GLU 675.A N GLU 675.A OE1 no hydrogen 2.898 N/A LEU 677.A N ALA 673.A O no hydrogen 3.133 N/A ALA 678.A N TRP 674.A O no hydrogen 2.905 N/A ALA 678.A N GLU 675.A O no hydrogen 3.256 N/A ASP 679.A N GLU 675.A O no hydrogen 2.913 N/A SER 681.A OG LEU 677.A O no hydrogen 3.447 N/A SER 681.A OG ALA 678.A O no hydrogen 2.638 N/A HIS 682.A N ALA 678.A O no hydrogen 2.928 N/A ARG 683.A N ASP 679.A O no hydrogen 2.890 N/A ARG 683.A NE ASP 679.A O no hydrogen 3.268 N/A LEU 684.A N GLU 680.A O no hydrogen 2.966 N/A PHE 685.A N SER 681.A O no hydrogen 2.908 N/A MET 686.A N HIS 682.A O no hydrogen 2.932 N/A GLU 687.A N ARG 683.A O no hydrogen 2.898 N/A TYR 688.A N LEU 684.A O no hydrogen 2.907 N/A THR 689.A N PHE 685.A O no hydrogen 2.925 N/A THR 689.A OG1 PHE 685.A O no hydrogen 2.708 N/A THR 689.A OG1 MET 686.A O no hydrogen 3.175 N/A CYS 691.A SG GLU 687.A O no hydrogen 3.825 N/A LYS 693.A NZ TYR 688.A O no hydrogen 2.861 N/A ARG 699.A NE ASN 695.A O no hydrogen 3.339 N/A ARG 699.A NE ASP 696.A OD1 no hydrogen 3.316 N/A ARG 699.A NH1 ASN 695.A O no hydrogen 2.438 N/A PHE 700.A N ASP 696.A O no hydrogen 3.029 N/A CYS 703.A N ARG 699.A O no hydrogen 2.938 N/A CYS 703.A SG TYR 728.A OH no hydrogen 3.707 N/A VAL 704.A N PHE 700.A O no hydrogen 2.936 N/A THR 705.A N ALA 701.A O no hydrogen 2.945 N/A THR 705.A OG1 ALA 701.A O no hydrogen 2.793 N/A THR 705.A OG1 GLU 702.A O no hydrogen 3.212 N/A GLY 706.A N GLU 702.A O no hydrogen 2.907 N/A LEU 707.A N CYS 703.A O no hydrogen 2.938 N/A ALA 708.A N VAL 704.A O no hydrogen 2.901 N/A LEU 710.A N LEU 707.A O no hydrogen 3.250 N/A THR 711.A N LEU 707.A O no hydrogen 2.927 N/A THR 711.A OG1 LEU 707.A O no hydrogen 2.788 N/A LYS 714.A N LEU 710.A O no hydrogen 3.304 N/A THR 717.A OG1 ASP 715.A OD2 no hydrogen 3.348 N/A ASN 718.A N ASP 721.A OD1 no hydrogen 3.249 N/A VAL 722.A N ASN 718.A O no hydrogen 3.421 N/A PHE 724.A N SER 720.A O no hydrogen 2.934 N/A LEU 725.A N ASP 721.A O no hydrogen 2.844 N/A LYS 726.A N VAL 722.A O no hydrogen 2.973 N/A LYS 726.A NZ LEU 761.A O no hydrogen 3.505 N/A GLU 727.A N ALA 723.A O no hydrogen 3.422 N/A TYR 728.A N PHE 724.A O no hydrogen 2.895 N/A LEU 729.A N LEU 725.A O no hydrogen 2.892 N/A SER 730.A N LYS 726.A O no hydrogen 2.969 N/A SER 730.A OG LYS 726.A O no hydrogen 2.991 N/A ALA 731.A N GLU 727.A O no hydrogen 2.860 N/A THR 732.A OG1 TYR 728.A O no hydrogen 2.380 N/A SER 733.A OG SER 730.A O no hydrogen 3.324 N/A SER 733.A OG ASP 767.A OD1 no hydrogen 2.774 N/A SER 738.A OG GLU 735.A O no hydrogen 2.650 N/A CYS 739.A SG LEU 736.A O no hydrogen 3.265 N/A GLU 740.A N LEU 736.A O no hydrogen 3.234 N/A GLU 746.A N GLU 746.A OE2 no hydrogen 2.716 N/A THR 748.A N VAL 744.A O no hydrogen 2.911 N/A THR 748.A OG1 VAL 744.A O no hydrogen 2.452 N/A ASP 749.A N GLN 745.A O no hydrogen 2.922 N/A LEU 750.A N GLU 746.A O no hydrogen 2.873 N/A LEU 751.A N LEU 747.A O no hydrogen 2.907 N/A GLY 752.A N THR 748.A O no hydrogen 2.916 N/A ARG 753.A N ASP 749.A O no hydrogen 2.919 N/A THR 754.A N LEU 750.A O no hydrogen 2.889 N/A THR 754.A OG1 LEU 750.A O no hydrogen 2.526 N/A THR 754.A OG1 LEU 751.A O no hydrogen 3.165 N/A LEU 755.A N LEU 751.A O no hydrogen 2.947 N/A TRP 757.A N ARG 753.A O no hydrogen 2.917 N/A SER 758.A N THR 754.A O no hydrogen 2.859 N/A SER 758.A OG THR 754.A O no hydrogen 2.942 N/A SER 758.A OG LEU 755.A O no hydrogen 2.736 N/A GLU 759.A N LEU 755.A O no hydrogen 2.927 N/A ALA 760.A N GLU 756.A O no hydrogen 2.884 N/A LEU 761.A N TRP 757.A O no hydrogen 2.901 N/A GLY 762.A N SER 758.A O no hydrogen 2.623 N/A LEU 772.A N VAL 768.A O no hydrogen 2.955 N/A GLU 773.A N VAL 769.A O no hydrogen 2.881 N/A LYS 774.A N ILE 770.A O no hydrogen 2.941 N/A ALA 775.A N GLN 771.A O no hydrogen 2.903 N/A LEU 776.A N LEU 772.A O no hydrogen 2.910 N/A PHE 777.A N GLU 773.A O no hydrogen 2.864 N/A VAL 778.A N LYS 774.A O no hydrogen 2.927 N/A LEU 780.A N LEU 776.A O no hydrogen 2.890 N/A GLU 781.A N PHE 777.A O no hydrogen 2.936 N/A ASN 782.A N MET 779.A O no hydrogen 3.322 N/A HIS 785.A N GLU 781.A O no hydrogen 2.931 N/A THR 786.A N ASN 782.A O no hydrogen 2.861 N/A THR 786.A OG1 ASN 782.A O no hydrogen 2.660 N/A ASP 794.A N ASP 794.A OD1 no hydrogen 2.535 N/A ALA 799.A N GLU 795.A O no hydrogen 2.950 N/A CYS 801.A N VAL 797.A O no hydrogen 2.909 N/A CYS 801.A SG VAL 797.A O no hydrogen 3.276 N/A CYS 802.A SG THR 798.A O no hydrogen 3.546 N/A VAL 804.A N ALA 800.A O no hydrogen 2.910 N/A ASP 805.A N CYS 801.A O no hydrogen 2.902 N/A MET 806.A N CYS 802.A O no hydrogen 3.336 N/A SER 810.A N GLU 773.A OE2 no hydrogen 3.094 N/A ARG 814.A NE LEU 803.A O no hydrogen 3.474 N/A LYS 815.A NZ LEU 811.A O no hydrogen 2.468 N/A ALA 817.A N LEU 813.A O no hydrogen 2.990 N/A ALA 818.A N ARG 814.A O no hydrogen 2.844 N/A GLY 819.A N LYS 815.A O no hydrogen 2.958 N/A VAL 820.A N ALA 816.A O no hydrogen 2.954 N/A VAL 821.A N ALA 817.A O no hydrogen 2.950 N/A GLY 822.A N ALA 818.A O no hydrogen 2.905 N/A GLY 823.A N GLY 819.A O no hydrogen 2.932 N/A ALA 824.A N VAL 820.A O no hydrogen 2.924 N/A ILE 825.A N VAL 821.A O no hydrogen 2.886 N/A VAL 826.A N GLY 822.A O no hydrogen 2.983 N/A HIS 827.A N GLY 823.A O no hydrogen 2.920 N/A ALA 828.A N ALA 824.A O no hydrogen 2.852 N/A GLU 829.A N ILE 825.A O no hydrogen 2.919 N/A GLU 830.A N VAL 826.A O no hydrogen 2.958 N/A ALA 831.A N HIS 827.A O no hydrogen 2.880 N/A LEU 832.A N ALA 828.A O no hydrogen 2.889 N/A GLU 833.A N GLU 829.A O no hydrogen 2.950 N/A THR 834.A N GLU 830.A O no hydrogen 2.906 N/A LEU 835.A N ALA 831.A O no hydrogen 2.890 N/A ARG 836.A N LEU 832.A O no hydrogen 2.926 N/A SER 837.A N GLU 833.A O no hydrogen 2.923 N/A SER 837.A OG GLU 833.A O no hydrogen 3.416 N/A SER 837.A OG THR 834.A O no hydrogen 3.144 N/A GLY 838.A N THR 834.A O no hydrogen 3.227 N/A THR 841.A OG1 GLY 838.A O no hydrogen 3.260 N/A THR 841.A OG1 GLN 842.A OE1 no hydrogen 2.463 N/A GLN 842.A N ALA 839.A O no hydrogen 3.467 N/A GLN 842.A NE2 GLY 838.A O no hydrogen 2.750 N/A SER 848.A OG ASP 850.A OD1 no hydrogen 2.339 N/A LEU 854.A N ASP 850.A O no hydrogen 2.769 N/A ALA 855.A N VAL 851.A O no hydrogen 2.923 N/A SER 856.A N ALA 852.A O no hydrogen 2.935 N/A SER 856.A OG ALA 852.A O no hydrogen 3.118 N/A ALA 857.A N ALA 853.A O no hydrogen 2.878 N/A GLU 858.A N LEU 854.A O no hydrogen 2.908 N/A ARG 859.A N ALA 855.A O no hydrogen 2.953 N/A GLU 860.A N SER 856.A O no hydrogen 2.936 N/A ASN 861.A N ALA 857.A O no hydrogen 2.843 N/A VAL 862.A N GLU 858.A O no hydrogen 2.957 N/A TYR 863.A N GLU 860.A O no hydrogen 3.199 N/A LYS 864.A N GLU 860.A O no hydrogen 2.923 N/A LYS 864.A NZ GLU 860.A OE1 no hydrogen 2.945 N/A ASN 865.A N ASN 861.A O no hydrogen 2.892 N/A SER 866.A OG TYR 863.A O no hydrogen 2.482 N/A ILE 867.A N TYR 863.A O no hydrogen 3.442 N/A LEU 868.A N LYS 864.A O no hydrogen 2.925 N/A GLN 869.A N ASN 865.A O no hydrogen 2.883 N/A GLN 869.A N SER 866.A O no hydrogen 3.233 N/A TYR 870.A N SER 866.A O no hydrogen 2.909 N/A CYS 871.A N ILE 867.A O no hydrogen 2.935 N/A CYS 871.A SG ILE 867.A O no hydrogen 3.384 N/A ALA 873.A N GLN 869.A O no hydrogen 2.911 N/A LEU 874.A N TYR 870.A O no hydrogen 2.921 N/A SER 877.A OG LEU 874.A O no hydrogen 3.543 N/A SER 880.A OG LEU 874.A O no hydrogen 3.316 N/A SER 880.A OG SER 877.A O no hydrogen 3.559 N/A THR 881.A OG1 GLY 878.A O no hydrogen 2.595 N/A VAL 883.A N MET 879.A O no hydrogen 2.977 N/A GLU 885.A N THR 881.A O no hydrogen 3.434 N/A LEU 886.A N HIS 882.A O no hydrogen 2.925 N/A TRP 887.A N VAL 883.A O no hydrogen 2.894 N/A SER 888.A N GLU 884.A O no hydrogen 3.153 N/A SER 888.A OG GLU 884.A O no hydrogen 2.964 N/A