Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ LYS 4.A O no hydrogen 3.515 N/A VAL 6.A N SER 33.A O no hydrogen 3.265 N/A ARG 7.A NE ASP 55.A OD2 no hydrogen 2.624 N/A ARG 7.A NH2 ASP 55.A OD1 no hydrogen 3.191 N/A ARG 7.A NH2 ASP 55.A OD2 no hydrogen 3.111 N/A TRP 8.A N THR 35.A O no hydrogen 2.965 N/A CYS 9.A SG VAL 37.A O no hydrogen 3.668 N/A THR 10.A N VAL 37.A O no hydrogen 2.967 N/A THR 10.A OG1 VAL 37.A O no hydrogen 3.547 N/A THR 11.A N GLU 15.A OE2 no hydrogen 3.104 N/A THR 11.A OG1 GLU 15.A OE2 no hydrogen 2.734 N/A SER 16.A N SER 12.A O no hydrogen 2.479 N/A SER 16.A OG SER 12.A O no hydrogen 2.937 N/A SER 16.A OG PRO 13.A O no hydrogen 3.482 N/A LYS 17.A N PRO 13.A O no hydrogen 2.491 N/A LYS 18.A N ALA 14.A O no hydrogen 3.068 N/A LYS 18.A NZ LEU 288.A O no hydrogen 1.902 N/A LYS 18.A NZ GLY 290.A O no hydrogen 3.475 N/A LYS 18.A NZ LEU 298.A O no hydrogen 3.137 N/A CYS 19.A N GLU 15.A O no hydrogen 3.372 N/A ALA 20.A N SER 16.A O no hydrogen 2.653 N/A GLN 21.A N LYS 17.A O no hydrogen 3.318 N/A GLN 23.A N CYS 19.A O no hydrogen 3.108 N/A ARG 25.A N GLN 21.A O no hydrogen 2.978 N/A MET 26.A N TRP 22.A O no hydrogen 3.101 N/A LYS 27.A N ARG 24.A O no hydrogen 3.341 N/A LYS 28.A N ARG 24.A O no hydrogen 3.356 N/A VAL 29.A N ARG 25.A O no hydrogen 3.087 N/A THR 35.A N VAL 6.A O no hydrogen 3.185 N/A CYS 36.A SG CYS 19.A O no hydrogen 2.929 N/A VAL 37.A N TRP 8.A O no hydrogen 2.724 N/A LYS 39.A N THR 10.A O no hydrogen 2.760 N/A THR 40.A OG1 GLU 44.A OE1 no hydrogen 2.749 N/A GLU 44.A N SER 41.A OG no hydrogen 2.763 N/A CYS 45.A N SER 41.A O no hydrogen 3.146 N/A CYS 45.A SG CYS 9.A O no hydrogen 3.430 N/A CYS 45.A SG SER 41.A O no hydrogen 3.853 N/A ILE 46.A N ARG 42.A O no hydrogen 2.688 N/A GLN 47.A N PHE 43.A O no hydrogen 3.335 N/A GLN 47.A NE2 PHE 43.A O no hydrogen 3.268 N/A ALA 48.A N GLU 44.A O no hydrogen 3.020 N/A ILE 49.A N CYS 45.A O no hydrogen 2.952 N/A SER 50.A N ILE 46.A O no hydrogen 2.922 N/A SER 50.A OG GLN 47.A O no hydrogen 3.101 N/A THR 51.A N ALA 48.A O no hydrogen 3.053 N/A THR 51.A OG1 GLN 47.A O no hydrogen 2.965 N/A GLU 52.A N ILE 49.A O no hydrogen 3.388 N/A LYS 53.A N ALA 48.A O no hydrogen 2.876 N/A ASP 55.A N ARG 7.A O no hydrogen 2.766 N/A ALA 56.A N ARG 7.A O no hydrogen 3.182 N/A LEU 59.A N ALA 254.A O no hydrogen 2.688 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.314 N/A VAL 64.A N ASP 60.A O no hydrogen 2.675 N/A TYR 65.A N GLY 61.A O no hydrogen 3.249 N/A ASP 66.A N GLY 62.A O no hydrogen 3.421 N/A ALA 67.A N LEU 63.A O no hydrogen 2.811 N/A GLY 68.A N VAL 64.A O no hydrogen 2.973 N/A TYR 72.A N LEU 69.A O no hydrogen 3.234 N/A LYS 73.A N LEU 69.A O no hydrogen 3.190 N/A LYS 73.A NZ ASP 70.A OD1 no hydrogen 3.204 N/A LEU 74.A N ALA 67.A O no hydrogen 2.835 N/A ARG 75.A N ALA 257.A O no hydrogen 2.731 N/A ARG 75.A NH2 ILE 310.A O no hydrogen 3.274 N/A ILE 77.A N VAL 255.A O no hydrogen 2.742 N/A ALA 79.A N LEU 308.A O no hydrogen 2.859 N/A GLU 80.A N HIS 253.A O no hydrogen 3.266 N/A VAL 81.A N GLY 306.A O no hydrogen 3.202 N/A TYR 82.A N GLN 89.A O no hydrogen 2.870 N/A TYR 82.A OH GLU 80.A OE2 no hydrogen 2.331 N/A THR 84.A OG1 GLU 85.A OE1 no hydrogen 3.242 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.851 N/A GLN 89.A N TYR 82.A O no hydrogen 3.035 N/A THR 90.A N ARG 689.A O no hydrogen 3.506 N/A THR 90.A OG1 ARG 689.A O no hydrogen 3.147 N/A TYR 92.A N VAL 250.A O no hydrogen 3.055 N/A TYR 93.A N ASP 211.A OD2 no hydrogen 2.761 N/A ALA 94.A N ALA 248.A O no hydrogen 2.593 N/A VAL 95.A N VAL 209.A O no hydrogen 3.172 N/A ILE 97.A N ALA 207.A O no hydrogen 3.078 N/A LYS 100.A N GLN 226.A O no hydrogen 2.730 N/A LYS 100.A NZ ASP 225.A O no hydrogen 3.030 N/A THR 102.A OG1 LYS 99.A O no hydrogen 2.524 N/A GLN 108.A N GLN 105.A O no hydrogen 2.752 N/A GLN 108.A NE2 ASN 107.A OD1 no hydrogen 2.845 N/A GLN 110.A NE2 PHE 152.A O no hydrogen 3.495 N/A LEU 112.A N LEU 109.A O no hydrogen 3.062 N/A LYS 113.A N ASP 205.A OD2 no hydrogen 3.487 N/A SER 114.A OG HIS 116.A NE2 no hydrogen 2.734 N/A CYS 115.A N VAL 206.A O no hydrogen 3.008 N/A CYS 115.A SG VAL 206.A O no hydrogen 3.660 N/A HIS 116.A N CYS 157.A O no hydrogen 3.126 N/A HIS 116.A ND1 GLY 124.A O no hydrogen 2.922 N/A HIS 116.A NE2 SER 114.A OG no hydrogen 2.734 N/A ILE 127.A N SER 122.A O no hydrogen 2.228 N/A MET 129.A N TRP 125.A O no hydrogen 3.135 N/A LEU 131.A N ILE 127.A O no hydrogen 3.351 N/A LEU 132.A N PRO 128.A O no hydrogen 3.182 N/A ARG 133.A NE TRP 138.A O no hydrogen 3.250 N/A ARG 133.A NH1 GLY 330.A O no hydrogen 2.680 N/A ARG 133.A NH1 GLU 333.A O no hydrogen 3.128 N/A ARG 133.A NH2 TRP 138.A O no hydrogen 2.934 N/A ARG 133.A NH2 GLU 333.A O no hydrogen 2.791 N/A PHE 135.A N LEU 132.A O no hydrogen 3.048 N/A THR 139.A OG1 GLU 143.A OE1 no hydrogen 3.499 N/A LYS 147.A N PRO 144.A O no hydrogen 3.099 N/A VAL 149.A N LEU 145.A O no hydrogen 3.356 N/A ALA 150.A N GLN 146.A O no hydrogen 3.132 N/A LYS 151.A N LYS 147.A O no hydrogen 3.146 N/A PHE 152.A N ALA 148.A O no hydrogen 3.304 N/A PHE 153.A N VAL 149.A O no hydrogen 3.251 N/A SER 154.A N LEU 112.A O no hydrogen 2.827 N/A SER 156.A N ASN 168.A O no hydrogen 2.731 N/A CYS 157.A N SER 114.A O no hydrogen 2.876 N/A VAL 158.A N LEU 169.A O no hydrogen 2.663 N/A CYS 160.A SG LEU 119.A O no hydrogen 3.464 N/A ASN 168.A ND2 ALA 150.A O no hydrogen 3.449 N/A CYS 170.A N PRO 167.A O no hydrogen 3.182 N/A CYS 170.A SG VAL 161.A O no hydrogen 3.446 N/A GLN 171.A N ASN 168.A O no hydrogen 2.720 N/A LEU 172.A N SER 156.A O no hydrogen 2.902 N/A CYS 173.A SG CYS 170.A O no hydrogen 3.811 N/A ALA 174.A N GLU 187.A OE1 no hydrogen 2.928 N/A GLY 175.A N GLU 187.A OE2 no hydrogen 2.979 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.541 N/A CYS 181.A N GLU 187.A OE2 no hydrogen 2.813 N/A CYS 181.A SG VAL 158.A O no hydrogen 3.646 N/A CYS 181.A SG PRO 159.A O no hydrogen 3.399 N/A CYS 181.A SG VAL 161.A O no hydrogen 3.600 N/A ALA 182.A N ASN 179.A O no hydrogen 2.709 N/A GLN 186.A N SER 184.A OG no hydrogen 2.924 N/A GLU 187.A N SER 184.A O no hydrogen 2.911 N/A TYR 189.A N GLU 187.A OE1 no hydrogen 3.005 N/A TYR 189.A OH ASP 201.A OD2 no hydrogen 2.564 N/A PHE 190.A N GLU 187.A O no hydrogen 3.043 N/A GLY 191.A N THR 117.A O no hydrogen 3.061 N/A TYR 192.A OH TYR 92.A OH no hydrogen 3.300 N/A GLY 194.A N PHE 190.A O no hydrogen 3.138 N/A ALA 195.A N GLY 191.A O no hydrogen 2.637 N/A PHE 196.A N TYR 192.A O no hydrogen 2.932 N/A LYS 197.A N SER 193.A O no hydrogen 2.970 N/A LYS 197.A NZ ASP 201.A OD2 no hydrogen 3.516 N/A CYS 198.A N GLY 194.A O no hydrogen 2.824 N/A GLN 200.A N PHE 196.A O no hydrogen 2.800 N/A ASP 201.A N LYS 197.A O no hydrogen 2.848 N/A GLY 204.A N CYS 198.A O no hydrogen 3.283 N/A ASP 205.A N LYS 113.A O no hydrogen 2.771 N/A VAL 206.A N LYS 113.A O no hydrogen 3.456 N/A ALA 207.A N ILE 97.A O no hydrogen 3.138 N/A PHE 208.A N CYS 115.A O no hydrogen 3.278 N/A LYS 210.A N THR 213.A OG1 no hydrogen 3.188 N/A LYS 210.A NZ SER 212.A OG no hydrogen 2.738 N/A ASP 211.A N TYR 93.A O no hydrogen 3.091 N/A SER 212.A N ASP 211.A OD1 no hydrogen 2.710 N/A THR 213.A N LYS 210.A O no hydrogen 2.988 N/A THR 213.A OG1 LYS 210.A O no hydrogen 3.158 N/A GLU 216.A N SER 212.A O no hydrogen 3.138 N/A SER 217.A N THR 213.A O no hydrogen 2.625 N/A SER 217.A OG THR 213.A O no hydrogen 2.935 N/A LEU 218.A N VAL 214.A O no hydrogen 2.657 N/A LYS 221.A NZ ASP 225.A OD1 no hydrogen 3.142 N/A ARG 224.A NE LEU 218.A O no hydrogen 2.979 N/A ARG 224.A NH2 PRO 219.A O no hydrogen 2.684 N/A ASP 225.A N LYS 221.A O no hydrogen 3.268 N/A GLN 226.A N ASP 223.A O no hydrogen 2.902 N/A TYR 227.A N ARG 224.A O no hydrogen 3.306 N/A GLU 228.A N ALA 98.A O no hydrogen 3.182 N/A LEU 230.A N ALA 96.A O no hydrogen 3.221 N/A CYS 231.A N THR 235.A O no hydrogen 3.015 N/A CYS 231.A SG THR 235.A O no hydrogen 4.048 N/A CYS 231.A SG THR 235.A OG1 no hydrogen 3.561 N/A ASN 234.A N CYS 231.A O no hydrogen 2.677 N/A ARG 236.A NE GLU 228.A OE1 no hydrogen 2.803 N/A ARG 236.A NH1 THR 102.A OG1 no hydrogen 3.120 N/A ARG 236.A NH1 PHE 104.A O no hydrogen 2.551 N/A ARG 236.A NH2 THR 102.A OG1 no hydrogen 2.424 N/A LYS 237.A N LEU 229.A O no hydrogen 2.710 N/A ALA 241.A N PRO 238.A O no hydrogen 2.975 N/A GLU 244.A N ALA 241.A O no hydrogen 3.256 N/A HIS 246.A ND1 PHE 242.A O no hydrogen 2.987 N/A LEU 247.A N ALA 94.A O no hydrogen 2.891 N/A ALA 248.A N ALA 94.A O no hydrogen 3.309 N/A ARG 249.A NH1 LEU 320.A O no hydrogen 3.072 N/A ARG 249.A NH2 TYR 319.A O no hydrogen 2.719 N/A VAL 250.A N TYR 92.A O no hydrogen 2.642 N/A SER 252.A OG GLU 80.A O no hydrogen 2.446 N/A SER 252.A OG THR 90.A O no hydrogen 2.921 N/A HIS 253.A N TYR 82.A OH no hydrogen 3.355 N/A ALA 254.A N LEU 59.A O no hydrogen 2.824 N/A VAL 255.A N ALA 78.A O no hydrogen 3.054 N/A VAL 256.A N VAL 57.A O no hydrogen 3.181 N/A ALA 257.A N ARG 75.A O no hydrogen 2.918 N/A ARG 258.A NE ILE 49.A O no hydrogen 2.587 N/A ARG 258.A NH1 ASP 55.A OD1 no hydrogen 3.128 N/A ARG 258.A NH1 ASN 261.A O no hydrogen 2.863 N/A ARG 258.A NH2 ILE 49.A O no hydrogen 3.467 N/A ARG 258.A NH2 ALA 54.A O no hydrogen 2.466 N/A ARG 258.A NH2 ASP 55.A OD1 no hydrogen 2.545 N/A SER 259.A OG LYS 73.A O no hydrogen 3.030 N/A LYS 263.A NZ SER 5.A O no hydrogen 2.379 N/A LYS 263.A NZ ASP 55.A OD2 no hydrogen 3.177 N/A ILE 267.A N LYS 263.A O no hydrogen 3.111 N/A TRP 268.A N GLU 264.A O no hydrogen 2.736 N/A LYS 269.A N ASP 265.A O no hydrogen 2.797 N/A LEU 270.A N LEU 266.A O no hydrogen 2.802 N/A LEU 271.A N ILE 267.A O no hydrogen 2.963 N/A VAL 272.A N TRP 268.A O no hydrogen 2.926 N/A LYS 273.A N LYS 269.A O no hydrogen 3.282 N/A ALA 274.A N LEU 270.A O no hydrogen 3.385 N/A GLN 275.A N LEU 271.A O no hydrogen 3.300 N/A GLU 276.A N VAL 272.A O no hydrogen 2.722 N/A LYS 277.A N LYS 273.A O no hydrogen 2.794 N/A PHE 278.A N ALA 274.A O no hydrogen 3.004 N/A GLY 279.A N GLN 275.A O no hydrogen 3.269 N/A LYS 282.A NZ GLU 276.A O no hydrogen 3.336 N/A GLN 287.A NE2 LYS 282.A O no hydrogen 3.406 N/A LEU 288.A N PHE 278.A O no hydrogen 3.370 N/A ASP 297.A N ASP 302.A OD1 no hydrogen 2.705 N/A LEU 299.A N GLU 15.A OE1 no hydrogen 2.376 N/A PHE 300.A N LEU 298.A O no hydrogen 2.905 N/A LYS 301.A NZ SER 303.A OG no hydrogen 3.154 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 3.148 N/A ALA 304.A N LYS 301.A O no hydrogen 3.295 N/A LEU 305.A N VAL 81.A O no hydrogen 2.701 N/A LEU 308.A N ALA 79.A O no hydrogen 2.783 N/A ARG 309.A NH1 ASP 265.A OD2 no hydrogen 3.496 N/A ARG 309.A NH2 ASP 265.A OD2 no hydrogen 2.948 N/A ILE 310.A N ILE 77.A O no hydrogen 3.013 N/A LYS 313.A NZ GLU 378.A OE1 no hydrogen 3.274 N/A LYS 313.A NZ ASP 379.A OD2 no hydrogen 3.391 N/A ILE 314.A N PRO 311.A O no hydrogen 3.164 N/A SER 316.A OG TYR 65.A O no hydrogen 3.217 N/A LEU 318.A N ASP 315.A OD1 no hydrogen 3.529 N/A TYR 319.A N ASP 315.A O no hydrogen 3.126 N/A TYR 319.A OH SER 252.A O no hydrogen 2.431 N/A LEU 320.A N SER 316.A O no hydrogen 3.074 N/A GLY 321.A N GLY 317.A O no hydrogen 2.716 N/A ILE 325.A N GLY 321.A O no hydrogen 3.463 N/A THR 326.A N SER 322.A O no hydrogen 2.803 N/A THR 326.A OG1 SER 322.A O no hydrogen 2.739 N/A ALA 327.A N ASN 323.A O no hydrogen 3.049 N/A ALA 327.A N TYR 324.A O no hydrogen 3.146 N/A ILE 328.A N TYR 324.A O no hydrogen 3.118 N/A ARG 329.A N ILE 325.A O no hydrogen 2.837 N/A ARG 329.A NH1 GLY 387.A O no hydrogen 2.969 N/A GLY 330.A N THR 326.A O no hydrogen 3.045 N/A LEU 331.A N ILE 328.A O no hydrogen 3.304 N/A ARG 332.A N ARG 329.A O no hydrogen 3.159 N/A ARG 332.A NH2 ASP 66.A OD2 no hydrogen 2.739 N/A THR 334.A N GLU 337.A OE2 no hydrogen 2.747 N/A THR 334.A OG1 GLU 337.A OE2 no hydrogen 1.933 N/A ALA 335.A N THR 139.A O no hydrogen 3.245 N/A VAL 338.A N THR 334.A O no hydrogen 3.025 N/A GLU 339.A N ALA 335.A O no hydrogen 3.277 N/A LEU 340.A N ALA 336.A O no hydrogen 3.341 N/A ARG 341.A N GLU 337.A O no hydrogen 3.497 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 3.465 N/A ARG 341.A NH1 ASP 390.A OD1 no hydrogen 2.950 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 3.385 N/A ARG 341.A NH2 GLY 387.A O no hydrogen 2.980 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 3.029 N/A ARG 341.A NH2 ASP 390.A OD2 no hydrogen 3.523 N/A ARG 342.A N VAL 338.A O no hydrogen 2.992 N/A ALA 343.A N GLU 339.A O no hydrogen 3.039 N/A GLN 344.A N LEU 340.A O no hydrogen 3.437 N/A VAL 345.A N SER 368.A O no hydrogen 3.084 N/A VAL 346.A N ASP 390.A OD2 no hydrogen 2.491 N/A TRP 347.A N VAL 370.A O no hydrogen 2.455 N/A CYS 348.A N ALA 391.A O no hydrogen 2.464 N/A CYS 348.A SG ALA 349.A O no hydrogen 3.841 N/A ALA 349.A N ALA 372.A O no hydrogen 3.070 N/A SER 352.A OG GLN 355.A OE1 no hydrogen 2.953 N/A GLN 355.A N GLY 351.A O no hydrogen 2.848 N/A LEU 356.A N SER 352.A O no hydrogen 2.771 N/A LYS 357.A N ASP 353.A O no hydrogen 2.599 N/A LYS 357.A NZ LEU 631.A O no hydrogen 3.406 N/A LYS 357.A NZ LEU 639.A O no hydrogen 2.367 N/A CYS 358.A N GLU 354.A O no hydrogen 3.328 N/A CYS 358.A SG VAL 370.A O no hydrogen 3.718 N/A GLN 359.A N GLN 355.A O no hydrogen 3.185 N/A GLU 360.A N LEU 356.A O no hydrogen 3.121 N/A TRP 361.A N LYS 357.A O no hydrogen 2.975 N/A TRP 361.A NE1 GLN 614.A OE1 no hydrogen 2.428 N/A SER 362.A N CYS 358.A O no hydrogen 2.674 N/A SER 362.A OG VAL 369.A O no hydrogen 2.664 N/A ARG 363.A N GLN 359.A O no hydrogen 3.278 N/A ARG 363.A NE GLN 359.A O no hydrogen 3.207 N/A ARG 363.A NH2 GLN 359.A OE1 no hydrogen 3.170 N/A GLN 364.A N GLU 360.A O no hydrogen 3.120 N/A SER 365.A N TRP 361.A O no hydrogen 2.577 N/A SER 365.A OG TRP 361.A O no hydrogen 2.554 N/A SER 365.A OG SER 362.A O no hydrogen 2.777 N/A ASN 366.A N ARG 363.A O no hydrogen 2.834 N/A GLN 367.A N SER 362.A O no hydrogen 2.915 N/A SER 368.A OG SER 365.A O no hydrogen 3.552 N/A VAL 370.A N VAL 345.A O no hydrogen 2.561 N/A CYS 371.A SG GLN 355.A O no hydrogen 3.856 N/A THR 373.A OG1 ALA 374.A O no hydrogen 3.387 N/A ALA 374.A N ALA 349.A O no hydrogen 3.380 N/A GLU 378.A N THR 376.A OG1 no hydrogen 2.792 N/A CYS 380.A N THR 376.A O no hydrogen 2.996 N/A CYS 380.A SG ALA 349.A O no hydrogen 3.787 N/A CYS 380.A SG THR 376.A O no hydrogen 3.481 N/A ILE 381.A N THR 377.A O no hydrogen 3.109 N/A ALA 382.A N GLU 378.A O no hydrogen 2.831 N/A LEU 383.A N ASP 379.A O no hydrogen 3.340 N/A VAL 384.A N CYS 380.A O no hydrogen 3.161 N/A LEU 385.A N ILE 381.A O no hydrogen 2.959 N/A LYS 386.A N ALA 382.A O no hydrogen 3.024 N/A LYS 386.A N LEU 383.A O no hydrogen 3.153 N/A LYS 386.A NZ ASP 315.A OD1 no hydrogen 3.168 N/A LYS 386.A NZ ASP 315.A OD2 no hydrogen 2.717 N/A GLY 387.A N VAL 384.A O no hydrogen 3.180 N/A GLU 388.A N LEU 383.A O no hydrogen 2.956 N/A ASP 390.A N VAL 346.A O no hydrogen 3.128 N/A ALA 391.A N VAL 346.A O no hydrogen 3.228 N/A SER 393.A OG GLU 413.A OE2 no hydrogen 2.607 N/A SER 393.A OG ALA 596.A O no hydrogen 3.352 N/A LEU 394.A N ALA 596.A O no hydrogen 2.711 N/A GLY 397.A N ASP 395.A OD2 no hydrogen 3.115 N/A TYR 398.A N ASP 395.A OD2 no hydrogen 3.339 N/A ILE 399.A N ASP 395.A O no hydrogen 2.889 N/A ILE 401.A N GLY 397.A O no hydrogen 3.325 N/A ALA 402.A N TYR 398.A O no hydrogen 2.459 N/A GLY 403.A N ILE 399.A O no hydrogen 2.457 N/A LYS 404.A N TYR 400.A O no hydrogen 2.797 N/A LYS 404.A NZ TYR 657.A OH no hydrogen 2.476 N/A CYS 405.A N ILE 401.A O no hydrogen 2.999 N/A CYS 405.A N ALA 402.A O no hydrogen 3.047 N/A CYS 405.A SG ILE 401.A O no hydrogen 3.612 N/A CYS 405.A SG LEU 680.A O no hydrogen 3.801 N/A LEU 407.A N ALA 402.A O no hydrogen 3.297 N/A VAL 408.A N SER 599.A O no hydrogen 2.949 N/A VAL 410.A N VAL 597.A O no hydrogen 2.503 N/A ALA 412.A N ALA 649.A O no hydrogen 3.242 N/A GLU 413.A N HIS 595.A O no hydrogen 2.729 N/A SER 414.A N CYS 647.A O no hydrogen 2.745 N/A GLN 416.A N ASN 644.A O no hydrogen 3.445 N/A GLU 419.A N SER 417.A O no hydrogen 2.476 N/A SER 421.A OG GLN 416.A O no hydrogen 3.332 N/A VAL 426.A N ASP 424.A OD2 no hydrogen 3.293 N/A ARG 428.A NE ASP 424.A O no hydrogen 2.481 N/A ARG 428.A NH2 ASP 424.A O no hydrogen 2.456 N/A TYR 433.A N ALA 592.A O no hydrogen 3.337 N/A ALA 435.A N PRO 590.A O no hydrogen 2.826 N/A VAL 436.A N VAL 543.A O no hydrogen 2.864 N/A VAL 438.A N ALA 541.A O no hydrogen 3.228 N/A ARG 440.A NE ALA 534.A O no hydrogen 3.289 N/A ARG 440.A NH1 ALA 534.A O no hydrogen 2.432 N/A ASN 443.A N ARG 440.A O no hydrogen 2.930 N/A ASN 443.A ND2 ASP 539.A OD1 no hydrogen 2.667 N/A THR 447.A N SER 450.A OG no hydrogen 3.111 N/A THR 447.A OG1 TRP 448.A O no hydrogen 2.964 N/A THR 447.A OG1 GLY 576.A O no hydrogen 2.900 N/A SER 450.A N THR 447.A O no hydrogen 3.257 N/A GLY 453.A N PHE 486.A O no hydrogen 3.091 N/A LYS 454.A N LEU 451.A O no hydrogen 3.235 N/A LYS 454.A NZ SER 450.A O no hydrogen 3.034 N/A LYS 455.A N ASP 539.A OD2 no hydrogen 3.418 N/A SER 456.A N GLN 489.A O no hydrogen 3.183 N/A SER 456.A OG HIS 458.A NE2 no hydrogen 2.416 N/A CYS 457.A N VAL 540.A O no hydrogen 2.717 N/A HIS 458.A N CYS 491.A O no hydrogen 2.975 N/A HIS 458.A ND1 GLY 466.A O no hydrogen 3.023 N/A HIS 458.A NE2 SER 456.A OG no hydrogen 2.416 N/A THR 459.A OG1 PHE 542.A O no hydrogen 3.108 N/A VAL 461.A N PRO 493.A O no hydrogen 2.895 N/A ARG 463.A NH1 ASP 462.A O no hydrogen 3.173 N/A TRP 467.A N ARG 463.A O no hydrogen 2.870 N/A ASN 468.A N ARG 463.A O no hydrogen 3.161 N/A ASN 468.A ND2 ASP 462.A OD2 no hydrogen 2.607 N/A ILE 469.A N THR 464.A O no hydrogen 3.273 N/A MET 471.A N TRP 467.A O no hydrogen 2.795 N/A LEU 474.A N PRO 470.A O no hydrogen 3.223 N/A PHE 475.A N MET 471.A O no hydrogen 3.377 N/A LYS 476.A N PRO 473.A O no hydrogen 3.310 N/A SER 480.A N THR 478.A OG1 no hydrogen 2.759 N/A GLU 485.A N ARG 482.A O no hydrogen 3.331 N/A SER 488.A N LYS 454.A O no hydrogen 2.627 N/A SER 488.A OG GLY 453.A O no hydrogen 2.531 N/A SER 490.A N LYS 500.A O no hydrogen 3.028 N/A SER 490.A OG LYS 500.A O no hydrogen 3.331 N/A CYS 491.A N SER 456.A O no hydrogen 3.220 N/A CYS 491.A SG LEU 523.A O no hydrogen 3.518 N/A ALA 492.A N LEU 501.A O no hydrogen 2.958 N/A SER 495.A N ALA 492.A O no hydrogen 3.146 N/A ARG 498.A N ASP 496.A OD2 no hydrogen 3.264 N/A SER 499.A N ASP 496.A O no hydrogen 3.127 N/A LYS 500.A NZ ASP 484.A OD2 no hydrogen 2.793 N/A LEU 501.A N SER 499.A OG no hydrogen 2.727 N/A CYS 502.A N SER 499.A O no hydrogen 3.131 N/A CYS 502.A SG ALA 492.A O no hydrogen 3.751 N/A CYS 502.A SG SER 495.A O no hydrogen 3.105 N/A CYS 505.A N CYS 502.A O no hydrogen 3.157 N/A ALA 506.A N GLU 521.A OE1 no hydrogen 2.678 N/A GLY 507.A N GLU 521.A OE1 no hydrogen 3.342 N/A GLN 512.A N ASN 508.A O no hydrogen 3.417 N/A LYS 514.A NZ CYS 502.A O no hydrogen 3.512 N/A LYS 514.A NZ CYS 505.A O no hydrogen 2.566 N/A CYS 515.A N GLU 521.A OE2 no hydrogen 3.084 N/A CYS 515.A SG ALA 492.A O no hydrogen 3.354 N/A CYS 515.A SG LEU 501.A O no hydrogen 4.013 N/A ASN 518.A N VAL 516.A O no hydrogen 2.923 N/A GLU 521.A N ASN 518.A O no hydrogen 2.871 N/A LEU 523.A N GLU 521.A OE1 no hydrogen 2.670 N/A GLY 525.A N THR 459.A O no hydrogen 2.637 N/A THR 527.A OG1 TYR 524.A O no hydrogen 2.964 N/A GLY 528.A N TYR 524.A O no hydrogen 3.189 N/A GLY 528.A N GLY 525.A O no hydrogen 3.381 N/A PHE 530.A N TYR 526.A O no hydrogen 3.335 N/A CYS 532.A SG SER 456.A O no hydrogen 3.784 N/A ALA 534.A N PHE 530.A O no hydrogen 3.029 N/A ASN 536.A N LEU 533.A O no hydrogen 3.348 N/A VAL 537.A N CYS 532.A O no hydrogen 3.126 N/A GLY 538.A N CYS 532.A O no hydrogen 2.703 N/A ASP 539.A N LYS 455.A O no hydrogen 3.145 N/A VAL 540.A N LYS 455.A O no hydrogen 3.157 N/A ALA 541.A N VAL 438.A O no hydrogen 3.078 N/A PHE 542.A N CYS 457.A O no hydrogen 2.688 N/A VAL 543.A N VAL 436.A O no hydrogen 3.239 N/A ASP 545.A N LEU 434.A O no hydrogen 2.946 N/A THR 547.A N LYS 544.A O no hydrogen 3.086 N/A THR 547.A OG1 TYR 526.A O no hydrogen 3.562 N/A THR 547.A OG1 LYS 544.A O no hydrogen 3.489 N/A ASN 551.A N VAL 548.A O no hydrogen 2.856 N/A THR 552.A N VAL 548.A O no hydrogen 2.641 N/A THR 552.A OG1 VAL 548.A O no hydrogen 2.655 N/A ASP 553.A N LEU 564.A O no hydrogen 2.687 N/A GLN 559.A NE2 GLU 558.A OE2 no hydrogen 3.264 N/A LYS 562.A NZ GLY 556.A O no hydrogen 2.762 N/A GLY 576.A N CYS 573.A O no hydrogen 3.013 N/A ARG 578.A NH1 GLU 570.A OE1 no hydrogen 3.418 N/A ARG 578.A NH2 ILE 446.A O no hydrogen 2.826 N/A ALA 584.A N THR 582.A O no hydrogen 3.074 N/A HIS 588.A ND1 PRO 590.A O no hydrogen 3.103 N/A LEU 589.A N ALA 435.A O no hydrogen 2.911 N/A ALA 592.A N TYR 433.A O no hydrogen 3.083 N/A ALA 596.A N LEU 394.A O no hydrogen 3.131 N/A VAL 597.A N LEU 411.A O no hydrogen 2.679 N/A VAL 598.A N LEU 392.A O no hydrogen 3.085 N/A SER 599.A N VAL 408.A O no hydrogen 2.957 N/A SER 599.A OG ASP 390.A O no hydrogen 2.494 N/A ARG 600.A N SER 599.A OG no hydrogen 2.481 N/A ARG 600.A NH1 VAL 384.A O no hydrogen 2.500 N/A ARG 600.A NH1 ALA 389.A O no hydrogen 2.609 N/A ARG 600.A NH2 ASP 390.A OD1 no hydrogen 2.806 N/A LYS 603.A NZ GLN 344.A O no hydrogen 2.828 N/A VAL 604.A N ARG 600.A O no hydrogen 3.453 N/A HIS 606.A NE2 ALA 343.A O no hydrogen 1.661 N/A LEU 607.A N LYS 603.A O no hydrogen 3.381 N/A ARG 608.A N VAL 604.A O no hydrogen 2.732 N/A GLN 609.A N ALA 605.A O no hydrogen 3.041 N/A VAL 610.A N HIS 606.A O no hydrogen 3.080 N/A VAL 610.A N LEU 607.A O no hydrogen 2.984 N/A LEU 611.A N LEU 607.A O no hydrogen 3.039 N/A LEU 611.A N ARG 608.A O no hydrogen 3.183 N/A LEU 612.A N ARG 608.A O no hydrogen 3.226 N/A ARG 613.A N GLN 609.A O no hydrogen 3.279 N/A GLN 614.A N VAL 610.A O no hydrogen 2.958 N/A GLN 615.A N LEU 611.A O no hydrogen 3.124 N/A ALA 616.A N LEU 612.A O no hydrogen 2.915 N/A HIS 617.A N GLN 614.A O no hydrogen 3.238 N/A PHE 618.A N GLN 614.A O no hydrogen 3.091 N/A GLY 619.A N GLN 615.A O no hydrogen 2.377 N/A ARG 620.A NH1 ASP 643.A O no hydrogen 2.994 N/A ARG 620.A NH2 ASP 643.A O no hydrogen 2.988 N/A GLY 622.A N GLY 619.A O no hydrogen 2.345 N/A CYS 625.A N GLY 622.A O no hydrogen 2.985 N/A LYS 628.A N ASP 624.A O no hydrogen 2.664 N/A LYS 628.A N CYS 625.A O no hydrogen 3.186 N/A LYS 628.A NZ ASP 624.A OD2 no hydrogen 2.868 N/A LEU 631.A N PHE 618.A O no hydrogen 2.431 N/A SER 634.A N ASP 643.A OD1 no hydrogen 2.919 N/A SER 634.A OG ASP 643.A OD1 no hydrogen 2.581 N/A SER 634.A OG ASP 643.A OD2 no hydrogen 2.576 N/A LYS 637.A N SER 634.A OG no hydrogen 3.049 N/A LYS 637.A NZ ASP 353.A OD1 no hydrogen 3.565 N/A ASN 638.A N SER 634.A OG no hydrogen 2.914 N/A ASN 638.A N ASP 643.A OD2 no hydrogen 3.271 N/A PHE 641.A N LEU 639.A O no hydrogen 2.966 N/A ASN 642.A N GLU 413.A OE1 no hydrogen 3.064 N/A ASN 644.A N ASN 642.A OD1 no hydrogen 3.248 N/A THR 645.A N ASN 642.A O no hydrogen 3.185 N/A THR 645.A OG1 GLU 413.A OE1 no hydrogen 3.476 N/A THR 645.A OG1 ASN 642.A O no hydrogen 2.790 N/A GLU 646.A N SER 414.A O no hydrogen 2.859 N/A CYS 647.A N SER 414.A O no hydrogen 3.395 N/A CYS 647.A SG LEU 648.A O no hydrogen 3.505 N/A ALA 649.A N ALA 412.A O no hydrogen 2.918 N/A LYS 654.A NZ LEU 651.A O no hydrogen 3.205 N/A TYR 660.A OH ASN 594.A O no hydrogen 2.671 N/A LEU 661.A N TYR 657.A O no hydrogen 2.945 N/A VAL 666.A N GLY 662.A O no hydrogen 2.963 N/A THR 667.A OG1 PRO 663.A O no hydrogen 2.934 N/A ALA 668.A N GLN 664.A O no hydrogen 3.020 N/A ILE 669.A N TYR 665.A O no hydrogen 3.038 N/A ALA 670.A N VAL 666.A O no hydrogen 2.471 N/A LYS 671.A N THR 667.A O no hydrogen 2.718 N/A LYS 671.A NZ THR 478.A O no hydrogen 3.077 N/A LYS 671.A NZ SER 480.A O no hydrogen 2.850 N/A LEU 672.A N ALA 668.A O no hydrogen 3.184 N/A ARG 673.A N ILE 669.A O no hydrogen 2.945 N/A ARG 673.A NE SER 676.A O no hydrogen 3.018 N/A ARG 673.A NH2 SER 676.A O no hydrogen 2.590 N/A ARG 674.A N ALA 670.A O no hydrogen 3.332 N/A ARG 674.A N LYS 671.A O no hydrogen 3.209 N/A CYS 675.A N LEU 672.A O no hydrogen 2.733 N/A CYS 675.A SG LYS 671.A O no hydrogen 3.138 N/A SER 676.A N LEU 672.A O no hydrogen 2.772 N/A SER 678.A OG GLU 378.A OE2 no hydrogen 2.891 N/A LEU 680.A N GLU 378.A OE2 no hydrogen 3.485 N/A LEU 681.A N SER 678.A OG no hydrogen 2.999 N/A GLU 682.A N SER 678.A O no hydrogen 2.687 N/A ALA 683.A N PRO 679.A O no hydrogen 2.794 N/A CYS 684.A N LEU 680.A O no hydrogen 2.639 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.063 N/A ALA 685.A N LEU 681.A O no hydrogen 3.096 N/A PHE 686.A N GLU 682.A O no hydrogen 3.063 N/A MET 688.A N ALA 685.A O no hydrogen 3.318 N/A