Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wqz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 4.A OE1 no hydrogen 3.028 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.652 N/A GLU 5.A N LEU 2.A O no hydrogen 3.412 N/A TYR 6.A OH CYS 199.A O no hydrogen 3.358 N/A LEU 7.A N ASP 3.A O no hydrogen 3.037 N/A THR 10.A N ASN 163.A OD1 no hydrogen 2.749 N/A THR 10.A OG1 ASN 163.A OD1 no hydrogen 2.608 N/A PHE 11.A N ASN 163.A OD1 no hydrogen 3.230 N/A GLU 14.A N THR 10.A O no hydrogen 2.783 N/A ASN 15.A N PHE 11.A O no hydrogen 2.703 N/A PHE 17.A N LEU 12.A O no hydrogen 2.711 N/A VAL 18.A N THR 31.A O no hydrogen 2.888 N/A ARG 19.A NE GLU 187.A OE1 no hydrogen 3.467 N/A ARG 19.A NH2 GLU 187.A OE2 no hydrogen 3.306 N/A LYS 20.A N PHE 29.A O no hydrogen 2.866 N/A LYS 27.A NZ GLU 188.A OE1 no hydrogen 3.194 N/A LYS 27.A NZ GLU 188.A OE2 no hydrogen 2.625 N/A PHE 29.A N LYS 20.A O no hydrogen 2.950 N/A TRP 30.A N TYR 185.A O no hydrogen 2.803 N/A TRP 30.A NE1 GLU 187.A OE1 no hydrogen 2.444 N/A THR 31.A N VAL 18.A O no hydrogen 3.109 N/A THR 31.A OG1 ASP 33.A O no hydrogen 3.081 N/A ARG 36.A N ASP 33.A OD1 no hydrogen 2.497 N/A CYS 39.A SG ILE 38.A O no hydrogen 3.208 N/A TYR 47.A N LYS 295.A O no hydrogen 3.138 N/A TYR 47.A OH THR 137.A O no hydrogen 3.309 N/A SER 48.A N GLY 205.A O no hydrogen 3.098 N/A SER 48.A OG GLY 205.A O no hydrogen 3.149 N/A GLY 51.A N GLY 255.A O no hydrogen 3.395 N/A ASN 52.A N PHE 49.A O no hydrogen 2.799 N/A LYS 56.A N LEU 176.A O no hydrogen 3.490 N/A PHE 59.A N SER 253.A OG no hydrogen 2.994 N/A GLU 63.A N ASP 62.A OD1 no hydrogen 2.991 N/A MET 64.A N GLU 60.A O no hydrogen 2.673 N/A ARG 65.A N LEU 61.A O no hydrogen 3.416 N/A ARG 65.A NH1 GLU 145.A OE1 no hydrogen 2.824 N/A GLU 66.A N ASP 62.A O no hydrogen 3.433 N/A TYR 67.A N GLU 63.A O no hydrogen 3.376 N/A TYR 68.A N MET 64.A O no hydrogen 2.953 N/A LEU 69.A N ARG 65.A O no hydrogen 2.549 N/A ASN 70.A N GLU 66.A O no hydrogen 2.986 N/A PHE 71.A N TYR 67.A O no hydrogen 3.020 N/A PHE 72.A N LEU 69.A O no hydrogen 3.272 N/A GLU 73.A N LEU 69.A O no hydrogen 2.974 N/A ARG 74.A N ASN 70.A O no hydrogen 2.990 N/A ARG 75.A N PHE 72.A O no hydrogen 3.020 N/A HIS 77.A N PHE 72.A O no hydrogen 2.819 N/A HIS 77.A NE2 TYR 160.A OH no hydrogen 2.883 N/A GLY 78.A N PRO 118.A O no hydrogen 2.938 N/A ARG 79.A NH1 GLU 66.A OE1 no hydrogen 3.481 N/A ARG 79.A NH2 GLU 73.A OE1 no hydrogen 3.258 N/A TYR 83.A N GLN 123.A OE1 no hydrogen 2.831 N/A VAL 85.A N ASP 352.A OD2 no hydrogen 2.875 N/A ALA 87.A N TYR 94.A O no hydrogen 2.974 N/A ARG 88.A NH2 ASP 352.A O no hydrogen 2.739 N/A ARG 88.A NH2 GLY 353.A O no hydrogen 2.625 N/A TRP 89.A NE1 ALA 101.A O no hydrogen 2.923 N/A ARG 90.A NE ASP 92.A OD1 no hydrogen 2.683 N/A ARG 90.A NE ASP 92.A OD2 no hydrogen 3.092 N/A ARG 90.A NH1 ALA 101.A O no hydrogen 3.392 N/A ARG 90.A NH1 GLN 104.A OE1 no hydrogen 2.917 N/A ARG 90.A NH2 ASP 92.A OD2 no hydrogen 2.744 N/A ILE 93.A N ASP 92.A OD1 no hydrogen 2.457 N/A THR 96.A N VAL 85.A O no hydrogen 2.932 N/A THR 96.A OG1 PRO 84.A O no hydrogen 3.431 N/A SER 99.A OG HIS 150.A NE2 no hydrogen 3.418 N/A ALA 101.A N ALA 98.A O no hydrogen 3.067 N/A ASP 102.A N SER 99.A O no hydrogen 3.331 N/A PHE 103.A N ILE 100.A O no hydrogen 2.968 N/A GLN 104.A NE2 GLY 192.A O no hydrogen 3.331 N/A GLN 104.A NE2 ASN 195.A OD1 no hydrogen 2.495 N/A VAL 107.A N PHE 103.A O no hydrogen 3.131 N/A THR 108.A N PHE 103.A O no hydrogen 3.344 N/A THR 108.A OG1 PRO 105.A O no hydrogen 2.963 N/A THR 108.A OG1 ASN 195.A OD1 no hydrogen 3.318 N/A SER 109.A N PHE 106.A O no hydrogen 3.432 N/A SER 109.A OG PRO 105.A O no hydrogen 2.932 N/A SER 109.A OG PHE 106.A O no hydrogen 3.118 N/A GLY 110.A N VAL 107.A O no hydrogen 3.400 N/A ALA 112.A N PHE 106.A O no hydrogen 3.357 N/A ASN 117.A ND2 PHE 152.A O no hydrogen 2.682 N/A LEU 119.A N HIS 150.A O no hydrogen 2.994 N/A THR 120.A OG1 ALA 148.A O no hydrogen 3.422 N/A ILE 121.A N ALA 148.A O no hydrogen 3.409 N/A SER 122.A OG GLU 145.A OE1 no hydrogen 2.637 N/A GLN 123.A N MET 146.A O no hydrogen 3.425 N/A GLN 123.A NE2 TYR 83.A O no hydrogen 3.681 N/A GLN 123.A NE2 PRO 124.A O no hydrogen 2.544 N/A CYS 125.A N PHE 144.A O no hydrogen 2.530 N/A CYS 125.A SG GLN 123.A O no hydrogen 3.508 N/A ILE 126.A N THR 96.A O no hydrogen 2.871 N/A ARG 127.A N THR 142.A O no hydrogen 2.878 N/A ARG 127.A NE ILE 97.A O no hydrogen 2.753 N/A ARG 127.A NH2 ILE 97.A O no hydrogen 3.173 N/A SER 133.A N ASP 130.A O no hydrogen 3.407 N/A GLY 135.A N TYR 260.A OH no hydrogen 2.767 N/A ARG 136.A N SER 133.A O no hydrogen 3.041 N/A THR 137.A N SER 133.A O no hydrogen 3.190 N/A ARG 139.A NH1 GLY 298.A O no hydrogen 3.546 N/A THR 142.A N ASP 341.A OD2 no hydrogen 2.637 N/A THR 142.A OG1 ASP 341.A OD1 no hydrogen 3.220 N/A THR 142.A OG1 ASP 341.A OD2 no hydrogen 2.944 N/A PHE 144.A N CYS 125.A O no hydrogen 2.845 N/A GLU 145.A N GLU 247.A OE1 no hydrogen 3.144 N/A GLU 145.A N GLU 247.A OE2 no hydrogen 2.730 N/A MET 146.A N GLN 123.A O no hydrogen 2.520 N/A MET 147.A N TYR 244.A O no hydrogen 2.918 N/A ALA 148.A N ILE 121.A O no hydrogen 3.237 N/A HIS 149.A N THR 242.A OG1 no hydrogen 2.566 N/A HIS 149.A ND1 TYR 160.A OH no hydrogen 2.716 N/A HIS 149.A NE2 TYR 244.A OH no hydrogen 2.975 N/A HIS 150.A N LEU 119.A O no hydrogen 3.377 N/A HIS 150.A ND1 VAL 240.A O no hydrogen 3.226 N/A ALA 151.A N VAL 240.A O no hydrogen 3.366 N/A PHE 152.A N ASN 117.A OD1 no hydrogen 2.901 N/A ASN 153.A N TYR 238.A O no hydrogen 3.001 N/A ASN 153.A ND2 TYR 160.A O no hydrogen 3.535 N/A TYR 154.A N LYS 157.A O no hydrogen 3.103 N/A ILE 159.A N ASN 153.A OD1 no hydrogen 3.058 N/A TYR 160.A OH HIS 77.A NE2 no hydrogen 2.883 N/A TYR 160.A OH HIS 149.A ND1 no hydrogen 2.716 N/A TRP 161.A N GLU 164.A OE1 no hydrogen 3.205 N/A LYS 162.A NZ GLU 5.A O no hydrogen 2.391 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.814 N/A THR 165.A N TRP 161.A O no hydrogen 3.079 N/A THR 165.A OG1 TRP 161.A O no hydrogen 2.820 N/A VAL 166.A N LYS 162.A O no hydrogen 3.162 N/A ALA 167.A N ASN 163.A O no hydrogen 3.328 N/A TYR 168.A N GLU 164.A O no hydrogen 2.837 N/A CYS 169.A N THR 165.A O no hydrogen 3.201 N/A THR 170.A N VAL 166.A O no hydrogen 2.953 N/A THR 170.A OG1 ALA 167.A O no hydrogen 3.015 N/A GLU 171.A N ALA 167.A O no hydrogen 3.295 N/A LEU 172.A N TYR 168.A O no hydrogen 3.429 N/A LEU 173.A N CYS 169.A O no hydrogen 2.998 N/A ASN 174.A N THR 170.A O no hydrogen 2.639 N/A ASN 174.A ND2 VAL 178.A O no hydrogen 2.704 N/A GLU 175.A N GLU 171.A O no hydrogen 2.629 N/A LEU 176.A N LEU 173.A O no hydrogen 3.018 N/A GLY 177.A N LEU 173.A O no hydrogen 3.369 N/A LYS 179.A NZ ASP 182.A OD2 no hydrogen 2.394 N/A LYS 180.A NZ GLU 181.A OE2 no hydrogen 2.789 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.872 N/A ASP 182.A N LYS 179.A O no hydrogen 3.095 N/A VAL 184.A N ILE 203.A O no hydrogen 2.858 N/A TYR 185.A N TRP 30.A O no hydrogen 3.157 N/A LYS 186.A N GLU 201.A O no hydrogen 2.710 N/A LYS 186.A NZ GLU 188.A OE2 no hydrogen 3.479 N/A LYS 186.A NZ GLU 201.A OE1 no hydrogen 3.403 N/A GLU 187.A N HIS 28.A O no hydrogen 3.352 N/A GLU 188.A N CYS 199.A O no hydrogen 3.251 N/A TRP 190.A N GLY 197.A O no hydrogen 3.335 N/A ALA 196.A N LEU 217.A O no hydrogen 2.918 N/A GLY 197.A N TRP 190.A O no hydrogen 3.069 N/A CYS 199.A N TYR 6.A OH no hydrogen 3.138 N/A CYS 199.A SG GLU 188.A O no hydrogen 3.187 N/A LEU 200.A N LEU 212.A O no hydrogen 3.253 N/A GLU 201.A N LYS 186.A O no hydrogen 2.713 N/A ALA 202.A N ALA 210.A O no hydrogen 3.049 N/A ILE 203.A N VAL 184.A O no hydrogen 2.758 N/A VAL 204.A N LEU 207.A O no hydrogen 3.120 N/A LEU 207.A N VAL 204.A O no hydrogen 3.001 N/A VAL 209.A N ALA 202.A O no hydrogen 2.939 N/A THR 211.A N GLY 243.A O no hydrogen 2.757 N/A THR 211.A OG1 GLU 208.A OE2 no hydrogen 2.640 N/A VAL 213.A N ASP 241.A O no hydrogen 2.596 N/A PHE 214.A N PRO 198.A O no hydrogen 2.986 N/A MET 215.A N ILE 239.A O no hydrogen 3.178 N/A LEU 217.A N ALA 196.A O no hydrogen 3.086 N/A GLU 218.A N ARG 233.A O no hydrogen 2.992 N/A GLU 219.A N GLY 194.A O no hydrogen 2.895 N/A HIS 220.A N ARG 231.A O no hydrogen 3.014 N/A GLY 223.A N HIS 220.A O no hydrogen 3.486 N/A ILE 227.A N ALA 230.A O no hydrogen 3.365 N/A TYR 232.A N ILE 225.A O no hydrogen 3.261 N/A ARG 233.A N GLU 218.A O no hydrogen 2.666 N/A ARG 233.A NE GLU 218.A OE2 no hydrogen 3.040 N/A ARG 233.A NH2 GLU 218.A OE2 no hydrogen 2.896 N/A MET 235.A N ASN 216.A O no hydrogen 2.622 N/A TYR 238.A N ASN 153.A O no hydrogen 3.256 N/A VAL 240.A N ALA 151.A O no hydrogen 2.728 N/A ASP 241.A N VAL 213.A O no hydrogen 2.710 N/A THR 242.A OG1 HIS 149.A O no hydrogen 2.645 N/A TYR 244.A N MET 147.A O no hydrogen 2.425 N/A TYR 244.A OH HIS 149.A NE2 no hydrogen 2.975 N/A GLY 245.A N VAL 209.A O no hydrogen 3.050 N/A LEU 246.A N GLU 145.A O no hydrogen 3.233 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.619 N/A ARG 248.A NE ARG 139.A O no hydrogen 3.204 N/A ARG 248.A NH1 GLU 208.A O no hydrogen 3.148 N/A ARG 248.A NH1 GLU 208.A OE1 no hydrogen 3.376 N/A ARG 248.A NH2 ARG 139.A O no hydrogen 3.312 N/A PHE 249.A N GLY 245.A O no hydrogen 2.915 N/A VAL 250.A N LEU 246.A O no hydrogen 3.029 N/A TRP 251.A N GLU 247.A O no hydrogen 3.144 N/A TRP 251.A NE1 THR 256.A O no hydrogen 2.402 N/A ALA 252.A N ARG 248.A O no hydrogen 3.267 N/A SER 253.A N PHE 249.A O no hydrogen 3.410 N/A SER 253.A OG VAL 250.A O no hydrogen 2.487 N/A LYS 254.A N VAL 250.A O no hydrogen 3.144 N/A LYS 254.A N TRP 251.A O no hydrogen 3.093 N/A LYS 254.A NZ GLU 60.A OE1 no hydrogen 3.086 N/A LYS 254.A NZ GLU 60.A OE2 no hydrogen 3.055 N/A GLY 255.A N TRP 251.A O no hydrogen 2.837 N/A THR 256.A OG1 THR 258.A O no hydrogen 2.892 N/A THR 258.A OG1 ASP 261.A OD2 no hydrogen 3.037 N/A VAL 259.A N GLY 138.A O no hydrogen 3.388 N/A TYR 260.A OH HIS 140.A O no hydrogen 2.959 N/A ASP 261.A N THR 258.A O no hydrogen 3.151 N/A ASP 261.A N THR 258.A OG1 no hydrogen 3.078 N/A ALA 262.A N VAL 259.A O no hydrogen 3.072 N/A ILE 263.A N VAL 259.A O no hydrogen 3.107 N/A PHE 264.A N TYR 260.A O no hydrogen 3.411 N/A VAL 268.A N PHE 264.A O no hydrogen 3.298 N/A ASP 269.A N PRO 265.A O no hydrogen 2.857 N/A THR 270.A N GLU 266.A O no hydrogen 2.938 N/A THR 270.A OG1 GLU 266.A O no hydrogen 2.850 N/A ILE 271.A N VAL 267.A O no hydrogen 3.394 N/A ILE 272.A N VAL 268.A O no hydrogen 3.158 N/A ASP 273.A N ASP 269.A O no hydrogen 2.963 N/A ASN 274.A N ILE 271.A O no hydrogen 3.208 N/A SER 275.A N ILE 272.A O no hydrogen 3.376 N/A SER 275.A OG ILE 271.A O no hydrogen 3.195 N/A SER 275.A OG ILE 272.A O no hydrogen 2.697 N/A ASN 276.A N LEU 379.A O no hydrogen 3.145 N/A ASN 276.A ND2 GLU 378.A O no hydrogen 3.211 N/A SER 278.A OG GLY 328.A O no hydrogen 3.280 N/A ASN 280.A ND2 ASP 283.A OD1 no hydrogen 3.539 N/A ASP 283.A N ASN 280.A O no hydrogen 3.397 N/A ARG 287.A N ASP 283.A O no hydrogen 3.334 N/A ARG 288.A N GLU 284.A O no hydrogen 2.723 N/A ILE 289.A N ARG 285.A O no hydrogen 2.563 N/A VAL 290.A N VAL 286.A O no hydrogen 2.854 N/A ALA 291.A N ARG 287.A O no hydrogen 3.104 N/A SER 293.A N ILE 289.A O no hydrogen 3.033 N/A SER 293.A OG ILE 289.A O no hydrogen 2.285 N/A SER 294.A N VAL 290.A O no hydrogen 2.710 N/A SER 294.A OG VAL 290.A O no hydrogen 2.593 N/A LYS 295.A NZ GLU 292.A OE2 no hydrogen 3.371 N/A LEU 296.A N GLU 292.A O no hydrogen 3.278 N/A ALA 297.A N SER 294.A O no hydrogen 3.305 N/A LEU 303.A N ILE 299.A O no hydrogen 3.230 N/A GLN 310.A N ARG 307.A O no hydrogen 2.937 N/A LEU 311.A N ARG 307.A O no hydrogen 2.983 N/A ARG 312.A N LEU 308.A O no hydrogen 2.737 N/A LYS 313.A N ASN 309.A O no hydrogen 2.983 N/A SER 314.A N GLN 310.A O no hydrogen 2.984 N/A SER 314.A OG GLN 310.A O no hydrogen 2.889 N/A VAL 315.A N LEU 311.A O no hydrogen 2.910 N/A ALA 316.A N ARG 312.A O no hydrogen 2.741 N/A ASP 317.A N LYS 313.A O no hydrogen 2.685 N/A THR 318.A N SER 314.A O no hydrogen 2.926 N/A THR 318.A OG1 SER 314.A O no hydrogen 2.437 N/A VAL 319.A N VAL 315.A O no hydrogen 3.002 N/A VAL 321.A N ALA 316.A O no hydrogen 2.743 N/A LEU 326.A N SER 322.A O no hydrogen 3.050 N/A GLU 327.A N VAL 323.A O no hydrogen 3.413 N/A GLY 328.A N GLU 324.A O no hydrogen 2.994 N/A ILE 329.A N LEU 326.A O no hydrogen 3.056 N/A VAL 330.A N LEU 326.A O no hydrogen 2.556 N/A VAL 331.A N GLU 327.A O no hydrogen 2.941 N/A LEU 333.A N ILE 329.A O no hydrogen 3.340 N/A GLU 334.A N VAL 330.A O no hydrogen 3.104 N/A VAL 336.A N PRO 332.A O no hydrogen 3.270 N/A TYR 337.A N LEU 333.A O no hydrogen 2.812 N/A TYR 337.A OH ASP 261.A OD2 no hydrogen 3.422 N/A SER 338.A N GLU 334.A O no hydrogen 3.023 N/A SER 338.A OG VAL 134.A O no hydrogen 3.056 N/A SER 338.A OG GLU 334.A O no hydrogen 3.020 N/A LEU 339.A N LYS 335.A O no hydrogen 2.936 N/A ALA 340.A N VAL 336.A O no hydrogen 2.971 N/A ASP 341.A N TYR 337.A O no hydrogen 2.984 N/A HIS 342.A N SER 338.A O no hydrogen 2.588 N/A THR 343.A N LEU 339.A O no hydrogen 3.041 N/A THR 343.A OG1 LEU 339.A O no hydrogen 3.157 N/A THR 343.A OG1 ALA 340.A O no hydrogen 2.800 N/A THR 343.A OG1 HIS 392.A NE2 no hydrogen 3.252 N/A ARG 344.A NH2 GLU 247.A OE2 no hydrogen 2.981 N/A CYS 345.A N ASP 341.A O no hydrogen 3.090 N/A ILE 346.A N HIS 342.A O no hydrogen 2.817 N/A LEU 347.A N THR 343.A O no hydrogen 3.145 N/A MET 349.A N CYS 345.A O no hydrogen 3.289 N/A LEU 350.A N ILE 346.A O no hydrogen 3.223 N/A GLY 351.A N LEU 347.A O no hydrogen 2.965 N/A ASP 352.A N PHE 348.A O no hydrogen 3.003 N/A GLY 353.A N LEU 350.A O no hydrogen 3.012 N/A LEU 354.A N MET 349.A O no hydrogen 2.857 N/A SER 357.A N GLY 362.A O no hydrogen 2.860 N/A SER 357.A OG ASN 358.A OD1 no hydrogen 3.120 N/A SER 357.A OG ALA 359.A O no hydrogen 3.100 N/A SER 357.A OG ASP 726.A O no hydrogen 2.887 N/A ASN 358.A N ASN 358.A OD1 no hydrogen 2.600 N/A ALA 359.A N SER 357.A OG no hydrogen 3.150 N/A TYR 363.A N GLY 360.A O no hydrogen 3.376 N/A LEU 364.A N ALA 361.A O no hydrogen 3.290 N/A ARG 366.A N GLY 362.A O no hydrogen 3.178 N/A ARG 366.A NE SER 357.A O no hydrogen 2.693 N/A LEU 367.A N TYR 363.A O no hydrogen 2.840 N/A MET 368.A N LEU 364.A O no hydrogen 3.335 N/A ILE 369.A N ALA 365.A O no hydrogen 3.125 N/A ARG 370.A N ARG 366.A O no hydrogen 2.782 N/A ARG 371.A N LEU 367.A O no hydrogen 3.011 N/A SER 372.A N MET 368.A O no hydrogen 3.099 N/A SER 372.A OG MET 368.A O no hydrogen 2.613 N/A LEU 373.A N ILE 369.A O no hydrogen 2.964 N/A ARG 374.A N ARG 370.A O no hydrogen 2.984 N/A ARG 374.A NE TYR 418.A OH no hydrogen 3.215 N/A LEU 375.A N ARG 371.A O no hydrogen 3.137 N/A ALA 376.A N SER 372.A O no hydrogen 3.258 N/A GLU 377.A N LEU 373.A O no hydrogen 3.177 N/A GLU 378.A N ARG 374.A O no hydrogen 3.315 N/A LEU 379.A N LEU 375.A O no hydrogen 3.068 N/A GLU 380.A N GLU 377.A O no hydrogen 3.055 N/A LEU 381.A N ALA 376.A O no hydrogen 2.929 N/A TYR 386.A OH LEU 404.A O no hydrogen 3.386 N/A ASP 387.A N ASP 384.A O no hydrogen 3.148 N/A VAL 389.A N LEU 385.A O no hydrogen 2.984 N/A GLU 390.A N TYR 386.A O no hydrogen 2.700 N/A MET 391.A N ASP 387.A O no hydrogen 3.358 N/A LYS 393.A N VAL 389.A O no hydrogen 3.369 N/A ILE 395.A N MET 391.A O no hydrogen 2.593 N/A LEU 396.A N HIS 392.A O no hydrogen 2.812 N/A VAL 402.A N GLY 351.A O no hydrogen 3.175 N/A GLN 408.A N LEU 404.A O no hydrogen 3.083 N/A GLU 409.A N SER 405.A O no hydrogen 3.280 N/A ILE 410.A N THR 406.A O no hydrogen 3.002 N/A LEU 411.A N VAL 407.A O no hydrogen 2.895 N/A GLU 412.A N GLN 408.A O no hydrogen 2.762 N/A LEU 413.A N GLU 409.A O no hydrogen 3.111 N/A GLU 414.A N ILE 410.A O no hydrogen 2.925 N/A LYS 415.A N LEU 411.A O no hydrogen 2.777 N/A GLU 416.A N GLU 412.A O no hydrogen 3.197 N/A ARG 417.A N LEU 413.A O no hydrogen 2.625 N/A ARG 417.A NH1 PHE 636.A O no hydrogen 3.311 N/A ARG 417.A NH2 GLU 414.A OE1 no hydrogen 2.846 N/A ARG 417.A NH2 PHE 636.A O no hydrogen 3.438 N/A TYR 418.A N GLU 414.A O no hydrogen 3.016 N/A TYR 418.A N LYS 415.A O no hydrogen 3.212 N/A ARG 419.A N LYS 415.A O no hydrogen 2.960 N/A ARG 419.A NH1 ARG 419.A O no hydrogen 3.190 N/A THR 420.A N GLU 416.A O no hydrogen 3.002 N/A THR 420.A OG1 GLU 416.A O no hydrogen 2.821 N/A THR 421.A OG1 ARG 417.A O no hydrogen 2.776 N/A VAL 422.A N TYR 418.A O no hydrogen 2.797 N/A SER 423.A N ARG 419.A O no hydrogen 3.290 N/A SER 423.A OG ARG 419.A O no hydrogen 2.752 N/A LYS 424.A N THR 420.A O no hydrogen 3.066 N/A GLY 425.A N THR 421.A O no hydrogen 2.685 N/A THR 426.A N VAL 422.A O no hydrogen 2.608 N/A THR 426.A OG1 VAL 422.A O no hydrogen 2.515 N/A ARG 427.A N SER 423.A O no hydrogen 3.025 N/A VAL 429.A N GLY 425.A O no hydrogen 3.144 N/A GLU 430.A N THR 426.A O no hydrogen 3.146 N/A ARG 431.A N ARG 427.A O no hydrogen 3.234 N/A LEU 432.A N LEU 428.A O no hydrogen 3.245 N/A LEU 432.A N VAL 429.A O no hydrogen 3.049 N/A VAL 433.A N VAL 429.A O no hydrogen 3.218 N/A ARG 435.A N LEU 432.A O no hydrogen 3.076 N/A LYS 436.A N LEU 432.A O no hydrogen 2.571 N/A LYS 437.A N LEU 432.A O no hydrogen 3.112 N/A LYS 438.A NZ GLU 440.A OE2 no hydrogen 3.362 N/A LEU 439.A N GLU 468.A O no hydrogen 2.963 N/A LEU 444.A N GLU 440.A O no hydrogen 2.789 N/A ILE 445.A N LYS 441.A O no hydrogen 2.777 N/A LEU 447.A N ASP 443.A O no hydrogen 2.657 N/A TYR 448.A N LEU 444.A O no hydrogen 3.259 N/A ASP 449.A N ILE 445.A O no hydrogen 2.935 N/A SER 450.A N GLU 446.A O no hydrogen 3.074 N/A GLY 452.A N TYR 448.A O no hydrogen 2.863 N/A LEU 457.A N PRO 454.A O no hydrogen 3.100 N/A VAL 459.A N VAL 455.A O no hydrogen 3.464 N/A GLY 460.A N GLU 456.A O no hydrogen 2.869 N/A ILE 461.A N LEU 457.A O no hydrogen 2.838 N/A ALA 462.A N ALA 458.A O no hydrogen 2.876 N/A ALA 463.A N VAL 459.A O no hydrogen 2.889 N/A GLU 464.A N GLY 460.A O no hydrogen 3.051 N/A ALA 467.A N ALA 462.A O no hydrogen 2.417 N/A LYS 481.A N GLU 478.A O no hydrogen 2.726 N/A LYS 493.A NZ GLU 563.A O no hydrogen 2.809 N/A LEU 506.A N SER 533.A O no hydrogen 3.259 N/A GLU 524.A N PHE 527.A O no hydrogen 3.418 N/A ILE 529.A N GLY 522.A O no hydrogen 3.426 N/A ASN 531.A N GLU 519.A O no hydrogen 2.981 N/A SER 533.A N GLU 504.A O no hydrogen 3.373 N/A PHE 535.A N SER 533.A OG no hydrogen 2.782 N/A GLU 538.A N VAL 561.A O no hydrogen 2.682 N/A ALA 551.A N GLY 554.A O no hydrogen 2.699 N/A PHE 556.A N LEU 549.A O no hydrogen 2.791 N/A VAL 558.A N GLY 547.A O no hydrogen 2.983 N/A VAL 559.A N VAL 571.A O no hydrogen 2.567 N/A LEU 562.A N LEU 569.A O no hydrogen 3.135 N/A ALA 564.A N VAL 567.A O no hydrogen 3.006 N/A VAL 567.A N ALA 564.A O no hydrogen 2.681 N/A LEU 569.A N LEU 562.A O no hydrogen 2.959 N/A HIS 570.A ND1 VAL 528.A O no hydrogen 3.011 N/A VAL 571.A N ASP 560.A O no hydrogen 2.773 N/A VAL 586.A N TYR 548.A O no hydrogen 2.829 N/A ASP 588.A N VAL 546.A O no hydrogen 2.783 N/A ASP 590.A N ASP 588.A OD1 no hydrogen 3.207 N/A ARG 592.A N ASP 588.A O no hydrogen 3.411 N/A TRP 593.A N SER 589.A O no hydrogen 3.081 N/A ARG 594.A N ASP 590.A O no hydrogen 3.403 N/A ARG 594.A NE GLU 737.A OE2 no hydrogen 2.827 N/A HIS 595.A NE2 ASN 544.A OD1 no hydrogen 2.870 N/A MET 596.A N ARG 592.A O no hydrogen 3.224 N/A ARG 597.A N TRP 593.A O no hydrogen 2.875 N/A ARG 597.A NE GLU 712.A O no hydrogen 2.633 N/A HIS 598.A N ARG 594.A O no hydrogen 3.017 N/A HIS 599.A N HIS 595.A O no hydrogen 2.673 N/A HIS 599.A NE2 ASP 543.A OD1 no hydrogen 2.350 N/A SER 600.A N MET 596.A O no hydrogen 3.151 N/A SER 600.A OG MET 596.A O no hydrogen 3.332 N/A SER 600.A OG HIS 706.A ND1 no hydrogen 3.239 N/A ALA 601.A N ARG 597.A O no hydrogen 2.871 N/A THR 602.A N HIS 598.A O no hydrogen 2.757 N/A THR 602.A OG1 HIS 598.A O no hydrogen 2.236 N/A HIS 603.A N HIS 599.A O no hydrogen 3.419 N/A VAL 604.A N SER 600.A O no hydrogen 3.056 N/A LEU 605.A N ALA 601.A O no hydrogen 2.989 N/A LEU 606.A N THR 602.A O no hydrogen 3.281 N/A TYR 607.A N HIS 603.A O no hydrogen 3.031 N/A SER 608.A N VAL 604.A O no hydrogen 2.919 N/A SER 608.A OG VAL 604.A O no hydrogen 2.959 N/A LEU 609.A N LEU 605.A O no hydrogen 2.770 N/A GLN 610.A N LEU 606.A O no hydrogen 3.259 N/A LYS 611.A N TYR 607.A O no hydrogen 3.483 N/A LYS 611.A NZ TYR 607.A OH no hydrogen 3.215 N/A VAL 612.A N SER 608.A O no hydrogen 2.906 N/A LEU 613.A N LEU 609.A O no hydrogen 2.955 N/A ASN 615.A ND2 ASP 401.A O no hydrogen 2.680 N/A VAL 617.A N GLY 614.A O no hydrogen 3.501 N/A TRP 618.A N THR 634.A OG1 no hydrogen 3.162 N/A GLN 619.A N GLN 681.A OE1 no hydrogen 2.985 N/A ALA 620.A N ASP 632.A O no hydrogen 2.846 N/A ARG 623.A N ARG 630.A O no hydrogen 3.205 N/A SER 627.A OG PHE 626.A O no hydrogen 2.312 N/A LYS 628.A N GLU 625.A O no hydrogen 2.611 N/A ARG 630.A N ARG 623.A O no hydrogen 2.804 N/A LEU 631.A N PHE 731.A O no hydrogen 2.891 N/A ASP 632.A N GLY 621.A O no hydrogen 2.604 N/A VAL 633.A N ILE 729.A O no hydrogen 2.811 N/A THR 634.A N TRP 618.A O no hydrogen 3.189 N/A THR 634.A OG1 HIS 616.A O no hydrogen 3.041 N/A HIS 635.A ND1 ARG 637.A O no hydrogen 3.245 N/A ARG 638.A NE VAL 721.A O no hydrogen 3.039 N/A GLU 642.A N GLU 642.A OE1 no hydrogen 2.662 N/A ILE 644.A N SER 640.A O no hydrogen 3.104 N/A LYS 645.A N GLU 641.A O no hydrogen 2.988 N/A GLU 646.A N GLU 642.A O no hydrogen 2.904 N/A ILE 647.A N GLU 643.A O no hydrogen 2.930 N/A GLU 648.A N ILE 644.A O no hydrogen 3.118 N/A MET 649.A N LYS 645.A O no hydrogen 2.795 N/A LEU 650.A N GLU 646.A O no hydrogen 2.593 N/A ALA 651.A N ILE 647.A O no hydrogen 2.913 N/A ASN 652.A N GLU 648.A O no hydrogen 3.210 N/A ASN 652.A ND2 LEU 716.A O no hydrogen 3.329 N/A ARG 653.A N MET 649.A O no hydrogen 2.999 N/A ARG 653.A N LEU 650.A O no hydrogen 3.114 N/A GLU 654.A N LEU 650.A O no hydrogen 3.215 N/A GLU 654.A N ALA 651.A O no hydrogen 3.181 N/A LEU 656.A N ARG 653.A O no hydrogen 3.402 N/A ALA 657.A N ARG 653.A O no hydrogen 3.343 N/A LYS 659.A NZ GLU 654.A OE1 no hydrogen 2.669 N/A LYS 659.A NZ ASP 697.A OD2 no hydrogen 2.811 N/A ILE 661.A N ARG 708.A O no hydrogen 2.860 N/A TRP 663.A NE1 TYR 508.A O no hydrogen 2.282 N/A GLU 664.A N VAL 692.A O no hydrogen 3.398 N/A MET 666.A N ILE 690.A O no hydrogen 3.031 N/A ARG 668.A NE GLY 687.A O no hydrogen 2.799 N/A ARG 668.A NH1 TYR 680.A OH no hydrogen 3.197 N/A ARG 668.A NH2 GLY 687.A O no hydrogen 3.266 N/A ALA 671.A N ASP 667.A O no hydrogen 3.047 N/A ALA 671.A N ARG 668.A O no hydrogen 3.156 N/A GLU 672.A N ARG 668.A O no hydrogen 3.343 N/A ARG 678.A NH1 ASN 615.A O no hydrogen 3.432 N/A ARG 678.A NH1 VAL 617.A O no hydrogen 3.026 N/A ARG 678.A NH2 ASN 615.A O no hydrogen 2.934 N/A LEU 679.A N GLY 676.A O no hydrogen 3.340 N/A GLN 681.A NE2 ARG 678.A O no hydrogen 3.395 N/A ILE 690.A N MET 666.A O no hydrogen 2.793 N/A ARG 691.A NH1 CYS 702.A O no hydrogen 2.689 N/A ARG 691.A NH1 GLY 704.A O no hydrogen 3.026 N/A ARG 691.A NH2 TYR 508.A O no hydrogen 3.395 N/A VAL 692.A N GLU 664.A O no hydrogen 3.429 N/A VAL 693.A N GLN 700.A O no hydrogen 2.742 N/A GLN 694.A N LYS 662.A O no hydrogen 3.019 N/A GLN 694.A NE2 GLU 664.A OE2 no hydrogen 2.951 N/A VAL 695.A N ASP 698.A O no hydrogen 3.021 N/A GLN 700.A N VAL 693.A O no hydrogen 3.135 N/A ALA 701.A N LEU 679.A O no hydrogen 3.115 N/A CYS 702.A SG HIS 603.A NE2 no hydrogen 3.883 N/A CYS 702.A SG HIS 706.A NE2 no hydrogen 3.504 N/A HIS 706.A ND1 SER 600.A OG no hydrogen 3.239 N/A CYS 707.A N SER 600.A OG no hydrogen 3.116 N/A SER 709.A OG GLU 712.A OE2 no hydrogen 3.420 N/A THR 710.A N LYS 659.A O no hydrogen 3.409 N/A THR 710.A OG1 GLU 654.A O no hydrogen 2.926 N/A GLU 712.A N SER 709.A O no hydrogen 3.174 N/A LEU 716.A N ASN 652.A OD1 no hydrogen 2.931 N/A LYS 717.A N ALA 734.A O no hydrogen 3.287 N/A LYS 717.A NZ GLU 648.A OE1 no hydrogen 2.602 N/A LYS 717.A NZ GLU 648.A OE2 no hydrogen 3.101 N/A LEU 719.A N GLU 732.A O no hydrogen 2.455 N/A LYS 720.A N GLU 732.A O no hydrogen 3.296 N/A GLU 722.A N ARG 730.A O no hydrogen 3.341 N/A SER 723.A OG GLN 725.A O no hydrogen 3.545 N/A VAL 728.A N GLN 725.A O no hydrogen 2.754 N/A ILE 729.A N VAL 633.A O no hydrogen 2.736 N/A ARG 730.A N GLU 722.A O no hydrogen 3.054 N/A ARG 730.A NE ASP 632.A OD1 no hydrogen 3.268 N/A PHE 731.A N LEU 631.A O no hydrogen 2.765 N/A GLU 732.A N LYS 720.A O no hydrogen 2.778 N/A PHE 733.A N ALA 629.A O no hydrogen 3.022 N/A GLU 737.A N GLU 737.A OE1 no hydrogen 2.651 N/A ALA 739.A N GLY 736.A O no hydrogen 2.911 N/A ILE 740.A N GLY 736.A O no hydrogen 3.060 N/A GLU 741.A N GLU 737.A O no hydrogen 2.987 N/A ALA 742.A N ALA 738.A O no hydrogen 3.119 N/A VAL 743.A N ALA 739.A O no hydrogen 3.027 N/A GLU 744.A N ILE 740.A O no hydrogen 2.897 N/A GLU 745.A N GLU 741.A O no hydrogen 2.855 N/A MET 746.A N ALA 742.A O no hydrogen 2.864 N/A GLU 747.A N VAL 743.A O no hydrogen 2.775 N/A ARG 748.A N GLU 744.A O no hydrogen 3.066 N/A LEU 749.A N GLU 745.A O no hydrogen 3.318 N/A ARG 751.A N GLU 747.A O no hydrogen 3.020 N/A ARG 751.A NE GLU 747.A OE2 no hydrogen 2.908 N/A GLU 752.A N ARG 748.A O no hydrogen 2.691 N/A ALA 753.A N LEU 749.A O no hydrogen 3.393 N/A SER 754.A N LEU 750.A O no hydrogen 3.184 N/A SER 754.A OG LEU 750.A O no hydrogen 3.212 N/A SER 755.A N ARG 751.A O no hydrogen 3.145 N/A SER 755.A OG ARG 751.A O no hydrogen 3.350 N/A SER 755.A OG GLU 752.A O no hydrogen 2.814 N/A ILE 756.A N ALA 753.A O no hydrogen 3.323 N/A VAL 759.A N SER 754.A O no hydrogen 3.021 N/A LYS 763.A N GLU 760.A O no hydrogen 2.845 N/A THR 767.A N LYS 763.A O no hydrogen 3.010 N/A THR 767.A OG1 LYS 763.A O no hydrogen 2.930 N/A THR 767.A OG1 LEU 764.A O no hydrogen 2.796 N/A VAL 768.A N LEU 764.A O no hydrogen 2.945 N/A GLU 769.A N PRO 765.A O no hydrogen 2.915 N/A PHE 771.A N THR 767.A O no hydrogen 3.018 N/A PHE 772.A N VAL 768.A O no hydrogen 2.751 N/A GLU 773.A N GLU 769.A O no hydrogen 2.851 N/A GLU 774.A N ARG 770.A O no hydrogen 3.010 N/A TRP 775.A N PHE 771.A O no hydrogen 2.683 N/A LYS 776.A N PHE 772.A O no hydrogen 2.978 N/A ASP 777.A N GLU 773.A O no hydrogen 3.168 N/A GLN 778.A N GLU 774.A O no hydrogen 2.817 N/A ARG 779.A N TRP 775.A O no hydrogen 3.102 N/A LYS 780.A N LYS 776.A O no hydrogen 3.156 N/A GLU 781.A N ASP 777.A O no hydrogen 2.722 N/A ILE 782.A N GLN 778.A O no hydrogen 3.266 N/A ARG 784.A N LYS 780.A O no hydrogen 3.385 N/A LEU 785.A N GLU 781.A O no hydrogen 2.951 N/A LYS 786.A N ILE 782.A O no hydrogen 2.814 N/A SER 787.A N GLU 783.A O no hydrogen 3.217 N/A SER 787.A OG ARG 784.A O no hydrogen 2.820 N/A VAL 788.A N ARG 784.A O no hydrogen 3.388 N/A ILE 789.A N LEU 785.A O no hydrogen 3.130 N/A ALA 790.A N LYS 786.A O no hydrogen 3.129 N/A ASP 791.A N SER 787.A O no hydrogen 2.764 N/A LEU 792.A N VAL 788.A O no hydrogen 2.569 N/A TRP 793.A N ILE 789.A O no hydrogen 2.641 N/A ALA 794.A N ALA 790.A O no hydrogen 2.706 N/A ILE 796.A N LEU 792.A O no hydrogen 3.210 N/A ILE 796.A N TRP 793.A O no hydrogen 2.986 N/A LEU 797.A N TRP 793.A O no hydrogen 3.303 N/A MET 798.A N ALA 794.A O no hydrogen 3.301 N/A PHE 804.A N MET 807.A O no hydrogen 2.791 N/A SER 806.A OG ASP 805.A O no hydrogen 2.436 N/A MET 807.A N PHE 804.A O no hydrogen 3.001 N/A VAL 809.A N GLU 802.A O no hydrogen 2.812 N/A VAL 810.A N VAL 834.A O no hydrogen 2.891 N/A VAL 814.A N MET 838.A O no hydrogen 3.022 N/A GLN 819.A NE2 ASP 817.A OD2 no hydrogen 3.449 N/A ALA 820.A N ASP 817.A O no hydrogen 3.309 N/A ALA 820.A N ASP 817.A OD1 no hydrogen 3.296 N/A LEU 821.A N ASP 817.A O no hydrogen 3.209 N/A GLN 822.A N MET 818.A O no hydrogen 3.207 N/A LYS 823.A N GLN 819.A O no hydrogen 3.222 N/A LEU 824.A N ALA 820.A O no hydrogen 2.661 N/A ALA 825.A N LEU 821.A O no hydrogen 2.954 N/A GLU 826.A N GLN 822.A O no hydrogen 3.365 N/A ARG 827.A N LEU 824.A O no hydrogen 3.115 N/A ARG 827.A NE ASP 791.A OD1 no hydrogen 3.042 N/A LEU 828.A N LEU 824.A O no hydrogen 3.049 N/A ALA 829.A N ALA 825.A O no hydrogen 2.740 N/A LYS 831.A N ARG 827.A O no hydrogen 3.244 N/A LYS 831.A N LEU 828.A O no hydrogen 3.122 N/A GLY 832.A N ALA 829.A O no hydrogen 3.147 N/A ALA 833.A N LEU 828.A O no hydrogen 2.816 N/A GLY 835.A N PHE 850.A O no hydrogen 3.255 N/A LEU 837.A N VAL 848.A O no hydrogen 2.886 N/A ALA 839.A N PHE 846.A O no hydrogen 3.218 N/A VAL 845.A N VAL 883.A O no hydrogen 2.859 N/A PHE 846.A N ALA 839.A O no hydrogen 3.251 N/A VAL 847.A N GLY 881.A O no hydrogen 2.643 N/A VAL 848.A N LEU 837.A O no hydrogen 2.940 N/A THR 849.A N ALA 879.A O no hydrogen 3.179 N/A THR 849.A OG1 ALA 857.A O no hydrogen 2.792 N/A PHE 850.A N GLY 835.A O no hydrogen 2.925 N/A SER 851.A N ASP 877.A O no hydrogen 2.837 N/A SER 851.A OG GLN 853.A O no hydrogen 3.193 N/A SER 851.A OG TYR 855.A O no hydrogen 2.441 N/A LYS 854.A NZ HIS 903.A O no hydrogen 3.529 N/A ALA 857.A N LYS 876.A O no hydrogen 3.191 N/A ARG 858.A NE ASP 856.A OD2 no hydrogen 3.208 N/A LEU 861.A N ALA 857.A O no hydrogen 3.171 N/A GLU 863.A N GLU 859.A O no hydrogen 3.339 N/A ILE 864.A N LEU 860.A O no hydrogen 3.024 N/A LYS 869.A NZ ARG 866.A O no hydrogen 3.566 N/A GLY 870.A N GLY 865.A O no hydrogen 3.199 N/A GLY 873.A N GLN 880.A O no hydrogen 2.979 N/A ARG 875.A NE ASP 877.A OD1 no hydrogen 3.118 N/A ARG 875.A NH2 ASP 877.A OD2 no hydrogen 3.116 N/A ASP 877.A N ASP 877.A OD1 no hydrogen 2.561 N/A ALA 879.A N THR 849.A O no hydrogen 2.943 N/A GLN 880.A N GLY 873.A O no hydrogen 2.832 N/A ARG 889.A N ASP 888.A OD1 no hydrogen 2.601 N/A MET 892.A N ASP 888.A O no hydrogen 2.862 N/A LEU 893.A N ARG 889.A O no hydrogen 2.740 N/A ASP 894.A N GLU 890.A O no hydrogen 2.725 N/A VAL 895.A N MET 892.A O no hydrogen 2.875 N/A ILE 896.A N MET 892.A O no hydrogen 2.898 N/A PHE 897.A N LEU 893.A O no hydrogen 3.135 N/A PHE 899.A N VAL 895.A O no hydrogen 2.843 N/A LEU 900.A N ILE 896.A O no hydrogen 2.978 N/A SER 901.A N PHE 897.A O no hydrogen 3.154 N/A SER 901.A OG PHE 897.A O no hydrogen 2.776 N/A GLU 902.A N PHE 899.A O no hydrogen 3.040 N/A HIS 903.A N LEU 900.A O no hydrogen 3.459 N/A