Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iwp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLU 78.A OE2 no hydrogen 3.020 N/A SER 5.A OG THR 79.A OG1 no hydrogen 3.072 N/A SER 7.A OG ASN 8.A OD1 no hydrogen 2.947 N/A HIS 9.A ND1 GLU 76.A OE1 no hydrogen 2.897 N/A LEU 10.A N ARG 29.A O no hydrogen 3.045 N/A TRP 11.A N GLN 4.A O no hydrogen 3.184 N/A ASP 15.A N LEU 12.A O no hydrogen 3.273 N/A LEU 17.A N VAL 25.A O no hydrogen 2.773 N/A GLY 18.A N VAL 25.A O no hydrogen 3.370 N/A GLY 20.A N ALA 23.A O no hydrogen 2.985 N/A ASN 24.A N VAL 41.A O no hydrogen 2.743 N/A ASN 24.A ND2 GLY 20.A O no hydrogen 3.203 N/A VAL 25.A N GLY 18.A O no hydrogen 2.834 N/A PHE 26.A N ILE 39.A O no hydrogen 2.830 N/A ARG 27.A N ASP 15.A O no hydrogen 3.400 N/A GLY 28.A N PHE 37.A O no hydrogen 3.019 N/A ARG 29.A N LEU 10.A O no hydrogen 2.995 N/A ARG 29.A NE GLY 34.A O no hydrogen 3.022 N/A ARG 29.A NH2 GLY 34.A O no hydrogen 2.841 N/A HIS 30.A N ASP 35.A O no hydrogen 3.084 N/A LYS 31.A N ASN 8.A O no hydrogen 2.540 N/A THR 33.A N HIS 30.A ND1 no hydrogen 3.127 N/A THR 33.A OG1 HIS 30.A ND1 no hydrogen 3.185 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.288 N/A PHE 37.A N GLY 28.A O no hydrogen 2.850 N/A ALA 38.A N MET 88.A O no hydrogen 2.759 N/A ILE 39.A N PHE 26.A O no hydrogen 2.881 N/A LYS 40.A N LEU 86.A O no hydrogen 2.904 N/A VAL 41.A N ASN 24.A O no hydrogen 2.780 N/A PHE 42.A N LYS 84.A O no hydrogen 3.485 N/A ASN 43.A ND2 ASN 24.A OD1 no hydrogen 2.328 N/A VAL 51.A N ARG 49.A O no hydrogen 3.068 N/A GLN 54.A N PRO 50.A O no hydrogen 2.873 N/A GLU 57.A N VAL 53.A O no hydrogen 3.098 N/A PHE 58.A N GLN 54.A O no hydrogen 2.885 N/A GLU 59.A N MET 55.A O no hydrogen 3.111 N/A VAL 60.A N ARG 56.A O no hydrogen 2.837 N/A VAL 60.A N GLU 57.A O no hydrogen 3.046 N/A LEU 61.A N GLU 57.A O no hydrogen 3.006 N/A LYS 62.A N PHE 58.A O no hydrogen 3.008 N/A LYS 62.A NZ LEU 72.A O no hydrogen 3.474 N/A LYS 62.A NZ PHE 73.A O no hydrogen 2.643 N/A LEU 64.A N VAL 60.A O no hydrogen 3.295 N/A LYS 67.A N HIS 66.A ND1 no hydrogen 2.979 N/A ASN 68.A ND2 ASP 120.A OD1 no hydrogen 3.008 N/A ASN 68.A ND2 TYR 155.A O no hydrogen 3.284 N/A ILE 69.A N HIS 66.A O no hydrogen 3.302 N/A VAL 70.A N LEU 157.A O no hydrogen 2.755 N/A LYS 71.A N GLU 89.A OE2 no hydrogen 3.161 N/A LYS 71.A NZ LYS 62.A O no hydrogen 2.578 N/A LYS 71.A NZ LEU 64.A O no hydrogen 2.953 N/A PHE 73.A N ILE 87.A O no hydrogen 2.623 N/A GLU 76.A N VAL 85.A O no hydrogen 2.862 N/A GLU 78.A N HIS 83.A O no hydrogen 2.684 N/A THR 79.A N SER 5.A O no hydrogen 3.428 N/A THR 79.A OG1 SER 5.A OG no hydrogen 3.072 N/A THR 79.A OG1 GLU 78.A OE1 no hydrogen 3.553 N/A THR 79.A OG1 GLU 78.A OE2 no hydrogen 3.336 N/A THR 80.A OG1 GLU 78.A OE1 no hydrogen 3.004 N/A THR 81.A N GLU 78.A OE1 no hydrogen 2.788 N/A THR 81.A OG1 GLU 78.A OE1 no hydrogen 3.226 N/A VAL 85.A N GLU 76.A O no hydrogen 2.612 N/A LEU 86.A N LYS 40.A O no hydrogen 2.957 N/A ILE 87.A N ALA 74.A O no hydrogen 2.944 N/A MET 88.A N ALA 38.A O no hydrogen 2.849 N/A GLU 89.A N LYS 71.A O no hydrogen 3.095 N/A CYS 91.A SG GLU 89.A O no hydrogen 3.762 N/A GLY 94.A N CYS 91.A O no hydrogen 3.061 N/A SER 95.A N THR 98.A OG1 no hydrogen 3.360 N/A SER 95.A OG PRO 140.A O no hydrogen 3.424 N/A SER 95.A OG GLY 141.A O no hydrogen 3.526 N/A LEU 96.A N ILE 143.A O no hydrogen 2.739 N/A TYR 97.A N PRO 140.A O no hydrogen 2.916 N/A TYR 97.A OH GLU 101.A OE2 no hydrogen 3.068 N/A VAL 99.A N SER 95.A O no hydrogen 3.318 N/A LEU 100.A N LEU 96.A O no hydrogen 2.911 N/A GLU 101.A N TYR 97.A O no hydrogen 3.008 N/A GLU 101.A N THR 98.A O no hydrogen 3.189 N/A GLU 102.A N VAL 99.A O no hydrogen 3.191 N/A ASN 105.A N GLU 102.A O no hydrogen 2.998 N/A ASN 105.A ND2 VAL 99.A O no hydrogen 2.874 N/A ALA 106.A N PRO 103.A O no hydrogen 3.188 N/A GLY 108.A N ASN 105.A O no hydrogen 3.157 N/A LEU 109.A N ALA 194.A O no hydrogen 2.914 N/A PHE 114.A N PRO 110.A O no hydrogen 2.909 N/A LEU 115.A N GLU 111.A O no hydrogen 3.062 N/A ILE 116.A N SER 112.A O no hydrogen 3.122 N/A VAL 117.A N GLU 113.A O no hydrogen 3.038 N/A LEU 118.A N PHE 114.A O no hydrogen 2.878 N/A ARG 119.A N LEU 115.A O no hydrogen 2.991 N/A ASP 120.A N ILE 116.A O no hydrogen 2.940 N/A VAL 121.A N VAL 117.A O no hydrogen 2.882 N/A VAL 122.A N LEU 118.A O no hydrogen 3.083 N/A GLY 123.A N ARG 119.A O no hydrogen 2.999 N/A GLY 124.A N ASP 120.A O no hydrogen 2.907 N/A MET 125.A N VAL 121.A O no hydrogen 2.861 N/A ASN 126.A N VAL 122.A O no hydrogen 2.830 N/A HIS 127.A N GLY 123.A O no hydrogen 3.129 N/A LEU 128.A N GLY 124.A O no hydrogen 3.098 N/A ARG 129.A N MET 125.A O no hydrogen 3.008 N/A GLU 130.A N ASN 126.A O no hydrogen 2.966 N/A ASN 131.A N LEU 128.A O no hydrogen 3.300 N/A GLY 132.A N ARG 129.A O no hydrogen 2.852 N/A LYS 139.A N ASN 142.A OD1 no hydrogen 2.770 N/A ASN 142.A N LYS 139.A O no hydrogen 2.769 N/A ILE 143.A N PRO 140.A O no hydrogen 3.443 N/A MET 144.A N LYS 156.A O no hydrogen 2.744 N/A ARG 145.A N GLY 94.A O no hydrogen 2.866 N/A ARG 145.A NE SER 153.A OG no hydrogen 3.191 N/A ARG 145.A NH2 SER 153.A OG no hydrogen 3.366 N/A VAL 146.A N VAL 154.A O no hydrogen 2.856 N/A GLY 148.A N GLN 152.A O no hydrogen 2.931 N/A GLY 151.A N GLY 148.A O no hydrogen 3.023 N/A GLN 152.A N ASP 150.A OD2 no hydrogen 3.404 N/A SER 153.A OG GLU 113.A OE1 no hydrogen 2.905 N/A SER 153.A OG GLU 113.A OE2 no hydrogen 3.423 N/A VAL 154.A N VAL 146.A O no hydrogen 2.731 N/A TYR 155.A N ASP 120.A OD2 no hydrogen 2.919 N/A TYR 155.A OH GLU 113.A OE1 no hydrogen 2.882 N/A LYS 156.A N MET 144.A O no hydrogen 2.872 N/A LYS 156.A NZ LYS 67.A O no hydrogen 2.343 N/A LEU 157.A N ASN 68.A O no hydrogen 3.009 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.669 N/A TYR 171.A N THR 168.A O no hydrogen 2.679 N/A TYR 171.A OH HIS 193.A ND1 no hydrogen 2.837 N/A ASP 175.A N HIS 173.A ND1 no hydrogen 3.198 N/A TYR 177.A N PRO 174.A O no hydrogen 3.358 N/A ASP 183.A N ALA 180.A O no hydrogen 3.220 N/A TRP 185.A N THR 181.A O no hydrogen 3.107 N/A SER 186.A OG ARG 136.A O no hydrogen 3.475 N/A SER 186.A OG TYR 171.A O no hydrogen 2.460 N/A ILE 187.A N ASP 183.A O no hydrogen 3.281 N/A GLY 188.A N LEU 184.A O no hydrogen 2.879 N/A VAL 189.A N TRP 185.A O no hydrogen 2.950 N/A THR 190.A N SER 186.A O no hydrogen 2.910 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.635 N/A PHE 191.A N ILE 187.A O no hydrogen 2.913 N/A TYR 192.A N GLY 188.A O no hydrogen 2.970 N/A HIS 193.A N VAL 189.A O no hydrogen 3.106 N/A HIS 193.A ND1 TYR 171.A OH no hydrogen 2.837 N/A ALA 194.A N THR 190.A O no hydrogen 2.921 N/A ALA 195.A N PHE 191.A O no hydrogen 3.048 N/A THR 196.A N TYR 192.A O no hydrogen 2.715 N/A THR 196.A OG1 TYR 192.A O no hydrogen 3.275 N/A GLY 197.A N HIS 193.A O no hydrogen 3.016 N/A ARG 202.A N GLY 228.A O no hydrogen 3.174 N/A ARG 202.A NH1 LEU 199.A O no hydrogen 3.306 N/A PHE 204.A N GLN 230.A OE1 no hydrogen 3.269 N/A LYS 211.A N ARG 208.A O no hydrogen 3.344 N/A LYS 211.A NZ TYR 177.A OH no hydrogen 3.408 N/A TYR 215.A N LYS 211.A O no hydrogen 3.450 N/A LYS 216.A N GLU 212.A O no hydrogen 3.428 N/A ILE 217.A N VAL 213.A O no hydrogen 2.755 N/A ILE 218.A N MET 214.A O no hydrogen 2.772 N/A THR 219.A N TYR 215.A O no hydrogen 2.857 N/A THR 219.A OG1 TYR 215.A O no hydrogen 2.637 N/A THR 219.A OG1 LYS 216.A O no hydrogen 3.213 N/A GLY 220.A N ILE 217.A O no hydrogen 3.128 N/A LYS 221.A NZ THR 219.A O no hydrogen 3.114 N/A SER 223.A OG PRO 222.A O no hydrogen 2.636 N/A ALA 225.A N PRO 222.A O no hydrogen 3.102 N/A ILE 226.A N SER 240.A O no hydrogen 3.078 N/A SER 227.A N SER 240.A O no hydrogen 3.226 N/A SER 227.A OG SER 240.A O no hydrogen 3.251 N/A GLY 228.A N PRO 200.A O no hydrogen 3.194 N/A VAL 229.A N ASP 238.A O no hydrogen 3.024 N/A GLN 230.A N ARG 202.A O no hydrogen 3.318 N/A GLN 230.A NE2 GLY 235.A O no hydrogen 2.840 N/A GLY 235.A N ALA 232.A O no hydrogen 3.204 N/A ASP 238.A N VAL 229.A O no hydrogen 2.730 N/A SER 240.A N SER 227.A O no hydrogen 3.117 N/A SER 240.A OG ASP 242.A O no hydrogen 3.270 N/A ASP 242.A N SER 240.A OG no hydrogen 3.221 N/A MET 243.A N ASP 242.A OD1 no hydrogen 2.427 N/A CYS 247.A N PRO 244.A O no hydrogen 3.338 N/A CYS 247.A SG ALA 195.A O no hydrogen 3.523 N/A SER 250.A OG GLU 111.A OE1 no hydrogen 2.383 N/A SER 250.A OG GLU 111.A OE2 no hydrogen 3.367 N/A ARG 251.A NH1 GLN 254.A OE1 no hydrogen 3.258 N/A ARG 251.A NH2 ASP 242.A OD2 no hydrogen 3.506 N/A LEU 253.A N SER 250.A O no hydrogen 3.270 N/A GLN 254.A N SER 250.A O no hydrogen 3.184 N/A GLN 254.A NE2 LEU 249.A O no hydrogen 3.035 N/A VAL 255.A N ARG 251.A O no hydrogen 3.145 N/A LEU 256.A N LEU 253.A O no hydrogen 3.065 N/A LEU 257.A N LEU 253.A O no hydrogen 2.818 N/A THR 258.A N GLN 254.A O no hydrogen 3.000 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.802 N/A LEU 261.A N LEU 257.A O no hydrogen 3.193 N/A ALA 262.A N THR 258.A O no hydrogen 3.087 N/A ASN 263.A N PRO 259.A O no hydrogen 3.009 N/A ASN 263.A ND2 PRO 259.A O no hydrogen 2.307 N/A LYS 271.A NZ ASP 268.A OD2 no hydrogen 3.160 N/A CYS 272.A SG THR 181.A OG1 no hydrogen 3.682 N/A CYS 272.A SG ASN 263.A O no hydrogen 3.877 N/A CYS 272.A SG TRP 273.A O no hydrogen 3.481 N/A PHE 278.A N GLY 274.A O no hydrogen 2.930 N/A PHE 279.A N PHE 275.A O no hydrogen 2.830 N/A ALA 280.A N ASP 276.A O no hydrogen 2.900 N/A GLU 281.A N GLN 277.A O no hydrogen 3.188 N/A THR 282.A N PHE 278.A O no hydrogen 3.014 N/A THR 282.A OG1 PHE 278.A O no hydrogen 2.588 N/A THR 282.A OG1 PHE 279.A O no hydrogen 3.043 N/A SER 283.A N PHE 279.A O no hydrogen 2.906 N/A SER 283.A OG PHE 279.A O no hydrogen 2.627 N/A SER 283.A OG ALA 280.A O no hydrogen 3.054 N/A ASP 284.A N ALA 280.A O no hydrogen 3.074 N/A ILE 285.A N GLU 281.A O no hydrogen 3.136 N/A LEU 286.A N THR 282.A O no hydrogen 3.043 N/A HIS 287.A N SER 283.A O no hydrogen 2.906 N/A ARG 288.A N ILE 285.A O no hydrogen 3.360 N/A ARG 288.A NE ASP 284.A OD1 no hydrogen 3.103 N/A ARG 288.A NH1 TYR 305.A O no hydrogen 3.397 N/A ARG 288.A NH2 ASP 284.A OD1 no hydrogen 3.114 N/A MET 289.A N ILE 306.A O no hydrogen 2.830 N/A ILE 291.A N ILE 304.A O no hydrogen 3.095 N/A VAL 293.A N HIS 302.A O no hydrogen 2.884 N/A PHE 294.A N ILE 359.A O no hydrogen 3.160 N/A SER 295.A N THR 300.A O no hydrogen 2.863 N/A SER 295.A OG GLN 298.A OE1 no hydrogen 2.276 N/A LEU 296.A N VAL 361.A O no hydrogen 3.354 N/A THR 300.A N SER 295.A O no hydrogen 3.082 N/A THR 300.A OG1 HIS 302.A NE2 no hydrogen 2.558 N/A ALA 301.A N TYR 415.A OH no hydrogen 3.221 N/A HIS 302.A N VAL 293.A O no hydrogen 2.640 N/A HIS 302.A NE2 THR 300.A OG1 no hydrogen 2.558 N/A ILE 304.A N ILE 291.A O no hydrogen 2.955 N/A TYR 305.A OH GLU 111.A OE1 no hydrogen 2.243 N/A ILE 306.A N MET 289.A O no hydrogen 3.454 N/A HIS 307.A NE2 ASP 284.A OD2 no hydrogen 2.689 N/A ASN 310.A N HIS 307.A O no hydrogen 3.262 N/A THR 313.A N THR 311.A OG1 no hydrogen 3.419 N/A THR 313.A OG1 PRO 343.A O no hydrogen 3.116 N/A HIS 316.A N ALA 312.A O no hydrogen 2.966 N/A GLU 317.A N THR 313.A O no hydrogen 3.054 N/A LEU 318.A N ILE 314.A O no hydrogen 2.969 N/A VAL 319.A N PHE 315.A O no hydrogen 2.979 N/A TYR 320.A N HIS 316.A O no hydrogen 2.988 N/A LYS 321.A N GLU 317.A O no hydrogen 2.973 N/A GLN 322.A N LEU 318.A O no hydrogen 3.234 N/A THR 323.A N VAL 319.A O no hydrogen 2.813 N/A THR 323.A OG1 VAL 319.A O no hydrogen 2.458 N/A LYS 324.A N TYR 320.A O no hydrogen 2.804 N/A SER 328.A OG ASN 329.A OD1 no hydrogen 3.343 N/A ASN 329.A N ILE 326.A O no hydrogen 2.706 N/A GLN 330.A NE2 HIS 316.A O no hydrogen 2.760 N/A GLN 330.A NE2 ILE 325.A O no hydrogen 2.770 N/A GLU 331.A N VAL 362.A O no hydrogen 3.198 N/A ILE 333.A N PHE 360.A O no hydrogen 3.006 N/A TYR 334.A N ARG 337.A O no hydrogen 2.746 N/A TYR 334.A OH LYS 352.A O no hydrogen 2.856 N/A ARG 337.A N TYR 334.A O no hydrogen 3.191 N/A ARG 338.A NH1 ASP 433.A OD2 no hydrogen 2.813 N/A LEU 339.A N LEU 332.A O no hydrogen 3.212 N/A ARG 345.A N GLU 342.A O no hydrogen 3.118 N/A ALA 347.A N SER 308.A O no hydrogen 3.060 N/A PHE 350.A N ALA 347.A O no hydrogen 3.476 N/A THR 353.A OG1 THR 354.A O no hydrogen 3.380 N/A THR 353.A OG1 ASN 357.A O no hydrogen 3.254 N/A THR 354.A N ASN 357.A O no hydrogen 3.057 N/A ASN 357.A N THR 354.A O no hydrogen 3.276 N/A ILE 359.A N HIS 292.A O no hydrogen 2.873 N/A PHE 360.A N ILE 333.A O no hydrogen 3.051 N/A VAL 361.A N PHE 294.A O no hydrogen 3.050 N/A VAL 362.A N GLU 331.A O no hydrogen 3.028 N/A SER 363.A N GLN 297.A OE1 no hydrogen 3.380 N/A SER 363.A OG ASN 329.A O no hydrogen 3.443 N/A THR 369.A OG1 GLU 588.A OE1 no hydrogen 3.006 N/A ILE 370.A N GLN 298.A O no hydrogen 2.830 N/A GLY 371.A N GLN 298.A O no hydrogen 2.613 N/A LEU 372.A N TYR 580.A OH no hydrogen 2.897 N/A GLU 375.A N TYR 404.A OH no hydrogen 3.002 N/A ASP 389.A N ASP 387.A OD1 no hydrogen 3.064 N/A GLY 390.A N ASP 387.A OD1 no hydrogen 3.370 N/A ASP 391.A N ASP 387.A O no hydrogen 2.718 N/A ALA 392.A N LEU 388.A O no hydrogen 3.061 N/A SER 393.A N ASP 389.A O no hydrogen 3.079 N/A SER 393.A OG ASP 389.A O no hydrogen 3.368 N/A MET 394.A N GLY 390.A O no hydrogen 2.897 N/A ALA 395.A N ASP 391.A O no hydrogen 3.010 N/A LYS 396.A N ALA 392.A O no hydrogen 3.121 N/A LYS 396.A NZ LEU 100.A O no hydrogen 2.891 N/A ALA 397.A N SER 393.A O no hydrogen 3.003 N/A ILE 398.A N MET 394.A O no hydrogen 2.937 N/A THR 399.A N ALA 395.A O no hydrogen 3.004 N/A THR 399.A OG1 ALA 395.A O no hydrogen 2.603 N/A GLY 400.A N LYS 396.A O no hydrogen 2.888 N/A VAL 401.A N ALA 397.A O no hydrogen 3.054 N/A VAL 402.A N ILE 398.A O no hydrogen 3.257 N/A CYS 403.A N THR 399.A O no hydrogen 2.829 N/A CYS 403.A SG THR 399.A O no hydrogen 3.177 N/A TYR 404.A N GLY 400.A O no hydrogen 2.990 N/A ALA 405.A N VAL 401.A O no hydrogen 3.009 N/A CYS 406.A N VAL 402.A O no hydrogen 2.957 N/A CYS 406.A SG VAL 520.A O no hydrogen 3.778 N/A CYS 406.A SG GLN 524.A OE1 no hydrogen 4.035 N/A ARG 407.A N CYS 403.A O no hydrogen 2.890 N/A ILE 408.A N TYR 404.A O no hydrogen 2.879 N/A ALA 409.A N ALA 405.A O no hydrogen 2.945 N/A SER 410.A N CYS 406.A O no hydrogen 3.044 N/A THR 411.A N ARG 407.A O no hydrogen 3.101 N/A THR 411.A OG1 ARG 407.A O no hydrogen 2.978 N/A LEU 412.A N ILE 408.A O no hydrogen 2.805 N/A LEU 413.A N ALA 409.A O no hydrogen 3.140 N/A LEU 414.A N SER 410.A O no hydrogen 3.098 N/A TYR 415.A N THR 411.A O no hydrogen 2.917 N/A GLN 416.A N LEU 412.A O no hydrogen 3.149 N/A GLU 417.A N LEU 413.A O no hydrogen 3.018 N/A LEU 418.A N LEU 414.A O no hydrogen 2.875 N/A MET 419.A N TYR 415.A O no hydrogen 2.871 N/A ARG 420.A N GLN 416.A O no hydrogen 2.989 N/A ARG 420.A NE ALA 508.A O no hydrogen 2.638 N/A ARG 420.A NH1 THR 513.A O no hydrogen 3.406 N/A ARG 420.A NH2 GLN 416.A OE1 no hydrogen 3.395 N/A ARG 420.A NH2 THR 513.A O no hydrogen 2.866 N/A GLY 422.A N LEU 418.A O no hydrogen 2.912 N/A ILE 423.A N MET 419.A O no hydrogen 2.878 N/A ARG 424.A N ARG 420.A O no hydrogen 3.054 N/A TRP 425.A N LYS 421.A O no hydrogen 2.865 N/A LEU 426.A N GLY 422.A O no hydrogen 3.052 N/A ILE 427.A N ILE 423.A O no hydrogen 2.951 N/A LEU 429.A N TRP 425.A O no hydrogen 2.884 N/A ILE 430.A N LEU 426.A O no hydrogen 2.829 N/A LYS 431.A N ILE 427.A O no hydrogen 3.191 N/A ASP 432.A N GLU 428.A O no hydrogen 3.078 N/A ASP 433.A N LEU 429.A O no hydrogen 3.215 N/A TYR 434.A N ILE 430.A O no hydrogen 2.983 N/A TYR 434.A OH LEU 490.A O no hydrogen 3.197 N/A ASN 435.A N LYS 431.A O no hydrogen 2.869 N/A GLU 436.A N ASP 432.A O no hydrogen 3.026 N/A THR 437.A N ASP 433.A O no hydrogen 3.144 N/A THR 437.A OG1 ASP 433.A O no hydrogen 2.692 N/A THR 437.A OG1 THR 605.A OG1 no hydrogen 3.122 N/A VAL 438.A N TYR 434.A O no hydrogen 3.099 N/A LYS 440.A N GLU 436.A O no hydrogen 3.056 N/A LYS 440.A NZ GLU 443.A OE2 no hydrogen 2.992 N/A LYS 440.A NZ GLU 612.A OE2 no hydrogen 3.091 N/A LYS 441.A N THR 437.A O no hydrogen 2.900 N/A LYS 441.A NZ GLU 487.A OE1 no hydrogen 3.514 N/A THR 442.A N VAL 438.A O no hydrogen 2.923 N/A THR 442.A OG1 VAL 438.A O no hydrogen 3.383 N/A THR 442.A OG1 HIS 439.A O no hydrogen 2.418 N/A GLU 443.A N HIS 439.A O no hydrogen 3.069 N/A VAL 444.A N LYS 440.A O no hydrogen 3.267 N/A VAL 445.A N LYS 441.A O no hydrogen 2.751 N/A ILE 446.A N THR 442.A O no hydrogen 2.821 N/A THR 447.A N GLU 443.A O no hydrogen 3.034 N/A THR 447.A OG1 GLU 443.A O no hydrogen 2.801 N/A LEU 448.A N VAL 444.A O no hydrogen 2.618 N/A ASP 449.A N VAL 445.A O no hydrogen 2.777 N/A PHE 450.A N ILE 446.A O no hydrogen 3.315 N/A CYS 451.A N THR 447.A O no hydrogen 3.102 N/A ILE 452.A N LEU 448.A O no hydrogen 2.898 N/A ARG 453.A N ASP 449.A O no hydrogen 3.202 N/A ASN 454.A N PHE 450.A O no hydrogen 3.003 N/A ILE 455.A N CYS 451.A O no hydrogen 3.464 N/A GLU 456.A N ILE 452.A O no hydrogen 2.736 N/A LYS 457.A N ASN 454.A O no hydrogen 3.179 N/A THR 458.A N ASN 454.A O no hydrogen 2.867 N/A THR 458.A OG1 ASN 454.A O no hydrogen 2.452 N/A LYS 460.A N LYS 457.A O no hydrogen 2.943 N/A VAL 461.A N LYS 457.A O no hydrogen 3.244 N/A GLY 467.A N ALA 463.A O no hydrogen 3.074 N/A GLU 468.A N ALA 464.A O no hydrogen 3.291 N/A ILE 469.A N GLU 465.A O no hydrogen 3.010 N/A SER 470.A N LEU 466.A O no hydrogen 2.973 N/A SER 470.A OG LEU 466.A O no hydrogen 3.110 N/A SER 470.A OG GLY 467.A O no hydrogen 2.674 N/A ASP 471.A N GLY 467.A O no hydrogen 3.137 N/A ILE 472.A N GLU 468.A O no hydrogen 2.957 N/A HIS 473.A N ILE 469.A O no hydrogen 2.790 N/A THR 474.A N SER 470.A O no hydrogen 2.960 N/A THR 474.A OG1 SER 470.A O no hydrogen 3.195 N/A THR 474.A OG1 ASP 471.A O no hydrogen 2.431 N/A LYS 475.A N ASP 471.A O no hydrogen 3.037 N/A LEU 476.A N ILE 472.A O no hydrogen 2.836 N/A LEU 477.A N HIS 473.A O no hydrogen 2.964 N/A ARG 478.A N THR 474.A O no hydrogen 2.762 N/A LEU 479.A N LYS 475.A O no hydrogen 3.405 N/A SER 480.A N LEU 476.A O no hydrogen 3.136 N/A SER 481.A N LEU 477.A O no hydrogen 3.124 N/A SER 481.A OG LEU 477.A O no hydrogen 2.961 N/A SER 481.A OG ARG 478.A O no hydrogen 3.005 N/A SER 482.A OG LEU 479.A O no hydrogen 2.774 N/A GLN 483.A N LEU 479.A O no hydrogen 2.878 N/A GLY 484.A N SER 480.A O no hydrogen 3.120 N/A GLY 484.A N SER 481.A O no hydrogen 3.015 N/A THR 485.A N SER 481.A O no hydrogen 3.161 N/A THR 485.A OG1 SER 482.A O no hydrogen 2.522 N/A ILE 486.A N SER 482.A O no hydrogen 3.032 N/A GLU 487.A N GLN 483.A O no hydrogen 3.012 N/A THR 488.A N GLY 484.A O no hydrogen 3.270 N/A THR 488.A OG1 GLY 484.A O no hydrogen 3.274 N/A THR 488.A OG1 THR 485.A O no hydrogen 3.029 N/A SER 489.A N THR 485.A O no hydrogen 2.996 N/A SER 489.A OG THR 485.A O no hydrogen 3.168 N/A SER 489.A OG ILE 486.A O no hydrogen 2.895 N/A LEU 490.A N ILE 486.A O no hydrogen 2.882 N/A GLN 491.A NE2 GLU 487.A O no hydrogen 3.625 N/A GLN 491.A NE2 GLU 487.A OE2 no hydrogen 2.988 N/A ASP 492.A N THR 488.A O no hydrogen 3.190 N/A ILE 493.A N SER 489.A O no hydrogen 3.219 N/A ASP 494.A N LEU 490.A O no hydrogen 2.779 N/A SER 495.A N GLN 491.A O no hydrogen 2.821 N/A ARG 496.A N ASP 492.A O no hydrogen 2.985 N/A LEU 497.A N ILE 493.A O no hydrogen 2.857 N/A SER 498.A N ASP 494.A O no hydrogen 2.834 N/A SER 498.A OG ASP 494.A O no hydrogen 3.560 N/A SER 498.A OG SER 495.A O no hydrogen 2.344 N/A GLY 501.A N SER 498.A O no hydrogen 2.885 N/A ALA 508.A N ASP 505.A O no hydrogen 3.084 N/A HIS 509.A N ALA 506.A O no hydrogen 3.219 N/A GLN 510.A N TRP 507.A O no hydrogen 3.163 N/A GLU 511.A N TRP 507.A O no hydrogen 2.937 N/A THR 513.A N GLN 416.A OE1 no hydrogen 2.441 N/A THR 513.A OG1 GLN 416.A OE1 no hydrogen 3.204 N/A HIS 514.A N ASP 517.A OD2 no hydrogen 2.873 N/A ASP 517.A N HIS 514.A O no hydrogen 2.901 N/A ARG 518.A N PRO 515.A O no hydrogen 3.213 N/A GLU 521.A N GLU 521.A OE1 no hydrogen 2.550 N/A LYS 522.A N ARG 518.A O no hydrogen 2.899 N/A LEU 523.A N ASN 519.A O no hydrogen 3.049 N/A GLN 524.A N VAL 520.A O no hydrogen 2.950 N/A GLN 524.A NE2 ASN 528.A OD1 no hydrogen 2.837 N/A VAL 525.A N GLU 521.A O no hydrogen 3.099 N/A LEU 527.A N LEU 523.A O no hydrogen 2.919 N/A ASN 528.A N GLN 524.A O no hydrogen 2.708 N/A CYS 529.A N VAL 525.A O no hydrogen 3.229 N/A CYS 529.A SG VAL 525.A O no hydrogen 3.317 N/A MET 530.A N LEU 526.A O no hydrogen 3.107 N/A THR 531.A N LEU 527.A O no hydrogen 2.882 N/A THR 531.A OG1 LEU 527.A O no hydrogen 2.549 N/A GLU 532.A N ASN 528.A O no hydrogen 2.939 N/A ILE 533.A N CYS 529.A O no hydrogen 3.214 N/A TYR 534.A N MET 530.A O no hydrogen 2.844 N/A TYR 534.A OH GLU 101.A O no hydrogen 2.582 N/A TYR 535.A N THR 531.A O no hydrogen 3.087 N/A GLN 536.A N GLU 532.A O no hydrogen 3.114 N/A PHE 537.A N ILE 533.A O no hydrogen 2.863 N/A LYS 538.A N TYR 534.A O no hydrogen 3.018 N/A LYS 538.A NZ GLU 101.A OE1 no hydrogen 3.562 N/A LYS 539.A N TYR 535.A O no hydrogen 3.157 N/A ASP 540.A N GLN 536.A O no hydrogen 2.924 N/A LYS 541.A N PHE 537.A O no hydrogen 3.017 N/A ALA 542.A N LYS 538.A O no hydrogen 3.370 N/A ARG 544.A N LYS 541.A O no hydrogen 3.180 N/A GLU 550.A N GLU 550.A OE1 no hydrogen 2.639 N/A GLU 551.A N ALA 547.A O no hydrogen 2.704 N/A GLN 552.A N TYR 548.A O no hydrogen 3.190 N/A GLN 552.A NE2 TYR 548.A O no hydrogen 3.468 N/A ILE 553.A N ASN 549.A O no hydrogen 3.009 N/A HIS 554.A N GLU 550.A O no hydrogen 2.982 N/A HIS 554.A ND1 ASP 540.A OD2 no hydrogen 3.169 N/A HIS 554.A NE2 ASP 391.A OD2 no hydrogen 2.434 N/A LYS 555.A N GLU 551.A O no hydrogen 3.256 N/A LYS 555.A NZ GLU 551.A OE2 no hydrogen 3.306 N/A LYS 555.A NZ GLN 552.A OE1 no hydrogen 3.263 N/A PHE 556.A N GLN 552.A O no hydrogen 2.825 N/A ASP 557.A N ILE 553.A O no hydrogen 2.972 N/A LYS 558.A N HIS 554.A O no hydrogen 3.104 N/A LYS 558.A NZ HIS 383.A O no hydrogen 2.596 N/A LYS 558.A NZ ASP 391.A OD1 no hydrogen 2.575 N/A GLN 559.A N LYS 555.A O no hydrogen 3.208 N/A GLN 559.A NE2 TYR 563.A OH no hydrogen 3.257 N/A LYS 560.A N PHE 556.A O no hydrogen 3.080 N/A LEU 561.A N ASP 557.A O no hydrogen 2.763 N/A TYR 563.A N GLN 559.A O no hydrogen 3.176 N/A HIS 564.A N LYS 560.A O no hydrogen 2.901 N/A ALA 565.A N LEU 561.A O no hydrogen 3.282 N/A THR 566.A N TYR 562.A O no hydrogen 2.980 N/A THR 566.A OG1 TYR 562.A O no hydrogen 3.187 N/A THR 566.A OG1 TYR 563.A O no hydrogen 2.972 N/A LYS 567.A N TYR 563.A O no hydrogen 3.104 N/A ALA 568.A N HIS 564.A O no hydrogen 3.052 N/A MET 569.A N ALA 565.A O no hydrogen 2.888 N/A THR 570.A N THR 566.A O no hydrogen 2.971 N/A THR 570.A OG1 THR 566.A O no hydrogen 2.803 N/A HIS 571.A N LYS 567.A O no hydrogen 3.243 N/A HIS 571.A NE2 ASN 519.A OD1 no hydrogen 3.079 N/A PHE 572.A N ALA 568.A O no hydrogen 2.841 N/A THR 573.A N MET 569.A O no hydrogen 3.067 N/A THR 573.A OG1 MET 569.A O no hydrogen 3.309 N/A THR 573.A OG1 THR 570.A O no hydrogen 3.527 N/A THR 573.A OG1 ASP 574.A OD1 no hydrogen 2.677 N/A ASP 574.A N THR 570.A O no hydrogen 2.942 N/A CYS 576.A SG HIS 571.A O no hydrogen 3.959 N/A VAL 577.A N PHE 572.A O no hydrogen 2.911 N/A LYS 578.A N THR 573.A O no hydrogen 3.400 N/A LYS 578.A NZ THR 573.A O no hydrogen 3.492 N/A LYS 579.A N GLU 575.A O no hydrogen 3.425 N/A LYS 579.A NZ GLU 575.A OE2 no hydrogen 2.821 N/A TYR 580.A N CYS 576.A O no hydrogen 3.109 N/A GLU 581.A N VAL 577.A O no hydrogen 2.891 N/A ALA 582.A N LYS 578.A O no hydrogen 3.064 N/A PHE 583.A N LYS 579.A O no hydrogen 3.152 N/A LEU 584.A N TYR 580.A O no hydrogen 2.847 N/A ASN 585.A N GLU 581.A O no hydrogen 2.862 N/A LYS 586.A N ALA 582.A O no hydrogen 3.158 N/A LYS 586.A NZ GLU 511.A OE1 no hydrogen 2.625 N/A SER 587.A N LEU 584.A O no hydrogen 3.210 N/A GLU 588.A N LEU 584.A O no hydrogen 3.359 N/A TRP 590.A N LYS 586.A O no hydrogen 3.286 N/A TRP 590.A NE1 LEU 503.A O no hydrogen 2.509 N/A ILE 591.A N SER 587.A O no hydrogen 3.131 N/A ARG 592.A N GLU 588.A O no hydrogen 3.099 N/A LYS 593.A N GLU 589.A O no hydrogen 3.199 N/A LYS 593.A NZ SER 502.A O no hydrogen 2.635 N/A LYS 593.A NZ SER 502.A OG no hydrogen 2.534 N/A MET 594.A N TRP 590.A O no hydrogen 2.875 N/A LEU 595.A N ILE 591.A O no hydrogen 2.949 N/A HIS 596.A N ARG 592.A O no hydrogen 3.003 N/A LEU 597.A N LYS 593.A O no hydrogen 3.175 N/A ARG 598.A N MET 594.A O no hydrogen 2.846 N/A ARG 598.A NH1 GLU 331.A OE1 no hydrogen 3.428 N/A ARG 598.A NH2 GLU 331.A OE1 no hydrogen 3.272 N/A LYS 599.A N LEU 595.A O no hydrogen 2.998 N/A GLN 600.A N HIS 596.A O no hydrogen 3.049 N/A LEU 601.A N LEU 597.A O no hydrogen 2.823 N/A LEU 602.A N ARG 598.A O no hydrogen 3.056 N/A SER 603.A N LYS 599.A O no hydrogen 3.140 N/A SER 603.A OG LYS 599.A O no hydrogen 3.222 N/A LEU 604.A N GLN 600.A O no hydrogen 2.949 N/A THR 605.A N LEU 601.A O no hydrogen 3.008 N/A THR 605.A N LEU 602.A O no hydrogen 3.177 N/A THR 605.A OG1 THR 437.A OG1 no hydrogen 3.122 N/A THR 605.A OG1 LEU 601.A O no hydrogen 2.418 N/A ASN 606.A N LEU 602.A O no hydrogen 2.906 N/A GLN 607.A N SER 603.A O no hydrogen 2.913 N/A CYS 608.A N THR 605.A O no hydrogen 3.151 N/A CYS 608.A SG LEU 604.A O no hydrogen 3.413 N/A ASP 610.A N ASN 606.A O no hydrogen 2.941 N/A ILE 611.A N GLN 607.A O no hydrogen 2.965 N/A VAL 615.A N ILE 611.A O no hydrogen 3.386 N/A SER 616.A OG GLU 612.A O no hydrogen 2.945 N/A LYS 617.A N GLU 614.A O no hydrogen 3.353 N/A GLN 619.A N VAL 615.A O no hydrogen 3.144 N/A TYR 621.A N TYR 618.A O no hydrogen 3.157 N/A LEU 625.A N THR 622.A O no hydrogen 3.186 N/A THR 628.A N GLU 627.A OE2 no hydrogen 2.912 N/A