Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pty_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N SER 1.A OG no hydrogen 2.324 N/A PHE 5.A N SER 1.A O no hydrogen 3.108 N/A GLY 6.A N ASN 2.A O no hydrogen 2.911 N/A MET 7.A N SER 3.A O no hydrogen 2.862 N/A ILE 8.A N VAL 4.A O no hydrogen 2.927 N/A ALA 9.A N PHE 5.A O no hydrogen 2.861 N/A ASP 10.A N GLY 6.A O no hydrogen 2.886 N/A VAL 11.A N MET 7.A O no hydrogen 2.890 N/A ALA 12.A N ILE 8.A O no hydrogen 2.932 N/A ASN 13.A N ALA 9.A O no hydrogen 2.836 N/A ASP 14.A N ASP 10.A O no hydrogen 2.920 N/A ASP 14.A N VAL 11.A O no hydrogen 3.187 N/A SER 17.A OG ASP 525.A OD1 no hydrogen 3.046 N/A SER 17.A OG ASP 525.A OD2 no hydrogen 2.672 N/A VAL 20.A N GLY 16.A O no hydrogen 2.943 N/A GLU 23.A N VAL 20.A O no hydrogen 3.001 N/A VAL 28.A N VAL 25.A O no hydrogen 3.375 N/A THR 29.A N VAL 25.A O no hydrogen 2.876 N/A THR 29.A OG1 VAL 25.A O no hydrogen 2.807 N/A THR 29.A OG1 GLY 26.A O no hydrogen 2.750 N/A ALA 30.A N GLY 26.A O no hydrogen 3.030 N/A ILE 32.A N VAL 28.A O no hydrogen 3.396 N/A ALA 33.A N THR 29.A O no hydrogen 3.235 N/A ILE 34.A N ALA 30.A O no hydrogen 3.039 N/A VAL 35.A N PRO 31.A O no hydrogen 2.844 N/A SER 36.A N ILE 32.A O no hydrogen 2.893 N/A SER 36.A OG ILE 32.A O no hydrogen 2.645 N/A HIS 37.A N ALA 33.A O no hydrogen 2.966 N/A ILE 38.A N ILE 34.A O no hydrogen 2.882 N/A THR 39.A N VAL 35.A O no hydrogen 2.887 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.972 N/A SER 40.A N SER 36.A O no hydrogen 2.886 N/A ALA 41.A N ILE 38.A O no hydrogen 2.865 N/A SER 45.A N ASP 42.A OD1 no hydrogen 2.586 N/A THR 46.A N ILE 43.A O no hydrogen 3.161 N/A THR 46.A OG1 ILE 43.A O no hydrogen 2.268 N/A ILE 51.A N PHE 48.A O no hydrogen 3.325 N/A LYS 52.A NZ ASP 49.A OD1 no hydrogen 2.305 N/A GLU 53.A N ASP 49.A O no hydrogen 2.947 N/A ILE 54.A N GLU 50.A O no hydrogen 2.878 N/A LEU 55.A N ILE 51.A O no hydrogen 2.963 N/A GLU 56.A N LYS 52.A O no hydrogen 2.893 N/A GLU 57.A N GLU 53.A O no hydrogen 2.966 N/A ARG 58.A N ILE 54.A O no hydrogen 2.938 N/A PHE 59.A N LEU 55.A O no hydrogen 2.924 N/A ASN 60.A N GLU 56.A O no hydrogen 2.885 N/A GLU 61.A N GLU 57.A O no hydrogen 2.912 N/A ILE 62.A N ARG 58.A O no hydrogen 2.946 N/A ASP 63.A N PHE 59.A O no hydrogen 2.888 N/A ARG 64.A N ASN 60.A O no hydrogen 2.917 N/A ARG 64.A N GLU 61.A O no hydrogen 3.103 N/A LYS 65.A N ILE 62.A O no hydrogen 3.147 N/A LYS 68.A N ASP 67.A OD1 no hydrogen 2.544 N/A THR 70.A OG1 ASP 67.A O no hydrogen 2.724 N/A SER 77.A N LEU 73.A O no hydrogen 2.910 N/A SER 77.A OG LEU 73.A O no hydrogen 2.963 N/A SER 77.A OG SER 206.A OG no hydrogen 2.658 N/A LYS 78.A N GLU 74.A O no hydrogen 2.879 N/A LYS 78.A NZ GLU 75.A OE1 no hydrogen 2.679 N/A LYS 78.A NZ GLU 75.A OE2 no hydrogen 3.307 N/A LEU 79.A N GLU 75.A O no hydrogen 2.923 N/A VAL 80.A N VAL 76.A O no hydrogen 2.907 N/A SER 81.A N SER 77.A O no hydrogen 2.893 N/A SER 81.A OG SER 77.A O no hydrogen 2.809 N/A LYS 82.A N LYS 78.A O no hydrogen 2.896 N/A THR 83.A N LEU 79.A O no hydrogen 2.967 N/A PHE 84.A N VAL 80.A O no hydrogen 2.826 N/A VAL 85.A N SER 81.A O no hydrogen 2.918 N/A THR 86.A N LYS 82.A O no hydrogen 2.965 N/A THR 86.A OG1 LYS 82.A O no hydrogen 2.934 N/A VAL 87.A N THR 83.A O no hydrogen 2.871 N/A GLU 88.A N PHE 84.A O no hydrogen 2.895 N/A LYS 89.A N VAL 85.A O no hydrogen 2.982 N/A ARG 91.A N VAL 87.A O no hydrogen 2.944 N/A ARG 91.A NH1 GLU 88.A OE1 no hydrogen 3.087 N/A ASN 92.A N GLU 88.A O no hydrogen 2.888 N/A GLU 93.A N LYS 89.A O no hydrogen 2.953 N/A MET 94.A N THR 90.A O no hydrogen 2.868 N/A ASN 95.A N ARG 91.A O no hydrogen 2.937 N/A PHE 98.A N MET 94.A O no hydrogen 3.014 N/A LYS 99.A N ASN 95.A O no hydrogen 2.915 N/A LEU 100.A N GLU 96.A O no hydrogen 2.933 N/A VAL 101.A N ASN 97.A O no hydrogen 2.909 N/A VAL 101.A N PHE 98.A O no hydrogen 3.256 N/A LEU 102.A N LYS 99.A O no hydrogen 2.864 N/A LYS 108.A NZ GLU 170.A OE1 no hydrogen 2.773 N/A LYS 108.A NZ GLU 170.A OE2 no hydrogen 3.108 N/A LYS 111.A NZ THR 104.A O no hydrogen 2.268 N/A VAL 114.A N ILE 110.A O no hydrogen 2.881 N/A PHE 115.A N LYS 111.A O no hydrogen 2.873 N/A LYS 116.A N SER 112.A O no hydrogen 2.883 N/A ILE 117.A N ILE 113.A O no hydrogen 2.875 N/A ASN 118.A N VAL 114.A O no hydrogen 2.901 N/A ASP 119.A N PHE 115.A O no hydrogen 2.879 N/A PHE 120.A N LYS 116.A O no hydrogen 2.891 N/A LYS 121.A N ILE 117.A O no hydrogen 2.869 N/A LYS 121.A NZ THR 193.A OG1 no hydrogen 2.417 N/A LYS 122.A N ASN 118.A O no hydrogen 2.888 N/A LYS 122.A NZ ASP 119.A OD1 no hydrogen 3.045 N/A PHE 123.A N ASP 119.A O no hydrogen 2.882 N/A PHE 124.A N PHE 120.A O no hydrogen 2.939 N/A GLU 125.A N LYS 121.A O no hydrogen 2.872 N/A LYS 126.A N LYS 122.A O no hydrogen 2.893 N/A GLU 127.A N PHE 123.A O no hydrogen 2.985 N/A ARG 128.A N PHE 124.A O no hydrogen 2.910 N/A GLN 129.A N GLU 125.A O no hydrogen 2.938 N/A ARG 130.A N LYS 126.A O no hydrogen 2.905 N/A ILE 131.A N GLU 127.A O no hydrogen 2.946 N/A ILE 131.A N ARG 128.A O no hydrogen 3.287 N/A GLY 133.A N ILE 131.A O no hydrogen 2.770 N/A LYS 136.A NZ ASP 63.A O no hydrogen 2.239 N/A LYS 136.A NZ LYS 65.A O no hydrogen 2.630 N/A TYR 139.A N PRO 135.A O no hydrogen 2.512 N/A VAL 140.A N LYS 136.A O no hydrogen 2.917 N/A ALA 141.A N ASP 137.A O no hydrogen 2.920 N/A LYS 142.A N ARG 138.A O no hydrogen 2.853 N/A LYS 142.A NZ ILE 131.A O no hydrogen 3.278 N/A LEU 143.A N TYR 139.A O no hydrogen 2.968 N/A LEU 144.A N VAL 140.A O no hydrogen 2.901 N/A LYS 147.A N LEU 144.A O no hydrogen 3.272 N/A LYS 147.A NZ GLU 224.A OE1 no hydrogen 3.299 N/A LYS 147.A NZ GLU 224.A OE2 no hydrogen 2.322 N/A LEU 150.A N GLN 146.A O no hydrogen 2.873 N/A GLY 151.A N LYS 147.A O no hydrogen 2.883 N/A SER 152.A N GLY 148.A O no hydrogen 2.875 N/A SER 152.A OG GLY 148.A O no hydrogen 2.856 N/A LEU 153.A N ILE 149.A O no hydrogen 2.857 N/A LYS 154.A N LEU 150.A O no hydrogen 2.930 N/A GLU 155.A N SER 152.A O no hydrogen 2.997 N/A VAL 156.A N SER 152.A O no hydrogen 2.818 N/A ARG 157.A N LEU 153.A O no hydrogen 2.956 N/A GLU 158.A N GLU 155.A O no hydrogen 2.661 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.897 N/A GLY 161.A N ARG 157.A O no hydrogen 3.469 N/A ASN 162.A N GLU 158.A O no hydrogen 2.959 N/A SER 163.A N PRO 159.A O no hydrogen 2.890 N/A SER 163.A OG PRO 159.A O no hydrogen 2.968 N/A LEU 164.A N SER 160.A O no hydrogen 2.836 N/A SER 165.A N GLY 161.A O no hydrogen 2.902 N/A SER 166.A N ASN 162.A O no hydrogen 3.022 N/A ALA 167.A N SER 163.A O no hydrogen 2.819 N/A LEU 168.A N LEU 164.A O no hydrogen 2.834 N/A ASN 169.A N SER 165.A O no hydrogen 2.956 N/A GLU 170.A N SER 166.A O no hydrogen 3.057 N/A LEU 171.A N ALA 167.A O no hydrogen 2.767 N/A LEU 172.A N LEU 168.A O no hydrogen 2.888 N/A ASP 173.A N ASN 169.A O no hydrogen 3.030 N/A LYS 174.A N GLU 170.A O no hydrogen 2.858 N/A ASN 175.A N LEU 171.A O no hydrogen 2.840 N/A ASN 176.A N LEU 172.A O no hydrogen 2.950 N/A ASN 177.A N ASP 173.A O no hydrogen 2.932 N/A TYR 178.A N LYS 174.A O no hydrogen 2.994 N/A TYR 178.A N ASN 175.A O no hydrogen 3.270 N/A LYS 179.A NZ TYR 178.A OH no hydrogen 2.648 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.365 N/A LEU 184.A N ALA 180.A O no hydrogen 2.885 N/A TYR 185.A N PHE 181.A O no hydrogen 2.915 N/A TYR 185.A OH MET 94.A O no hydrogen 2.814 N/A ALA 186.A N GLN 182.A O no hydrogen 2.910 N/A LEU 187.A N ALA 183.A O no hydrogen 2.857 N/A PHE 188.A N LEU 184.A O no hydrogen 2.981 N/A TYR 189.A N TYR 185.A O no hydrogen 2.929 N/A GLY 190.A N ALA 186.A O no hydrogen 2.865 N/A THR 191.A N LEU 187.A O no hydrogen 2.978 N/A THR 191.A OG1 PHE 188.A O no hydrogen 2.401 N/A GLN 192.A N PHE 188.A O no hydrogen 2.936 N/A THR 193.A N TYR 189.A O no hydrogen 2.865 N/A THR 193.A OG1 TYR 189.A O no hydrogen 2.934 N/A TYR 194.A N GLY 190.A O no hydrogen 2.917 N/A ALA 195.A N THR 191.A O no hydrogen 3.019 N/A ALA 196.A N GLN 192.A O no hydrogen 2.876 N/A VAL 197.A N THR 193.A O no hydrogen 2.878 N/A MET 198.A N TYR 194.A O no hydrogen 3.011 N/A PHE 199.A N ALA 195.A O no hydrogen 2.973 N/A PHE 200.A N ALA 196.A O no hydrogen 2.892 N/A LEU 201.A N VAL 197.A O no hydrogen 2.957 N/A LEU 202.A N MET 198.A O no hydrogen 2.961 N/A GLU 203.A N PHE 199.A O no hydrogen 2.937 N/A GLN 204.A N PHE 200.A O no hydrogen 2.974 N/A GLN 204.A NE2 TYR 139.A OH no hydrogen 2.346 N/A HIS 205.A N LEU 201.A O no hydrogen 2.957 N/A SER 206.A N LEU 202.A O no hydrogen 2.900 N/A SER 206.A OG SER 77.A OG no hydrogen 2.658 N/A TYR 207.A N GLU 203.A O no hydrogen 2.992 N/A LEU 208.A N GLN 204.A O no hydrogen 2.962 N/A ALA 209.A N HIS 205.A O no hydrogen 2.927 N/A ASP 210.A N SER 206.A O no hydrogen 2.960 N/A TYR 211.A N TYR 207.A O no hydrogen 2.939 N/A TYR 212.A N LEU 208.A O no hydrogen 2.946 N/A TYR 213.A N ALA 209.A O no hydrogen 2.958 N/A TYR 213.A N ASP 210.A O no hydrogen 3.163 N/A GLN 214.A N TYR 211.A O no hydrogen 3.157 N/A LYS 215.A NZ LYS 370.A O no hydrogen 3.509 N/A VAL 219.A N ASP 217.A OD1 no hydrogen 2.857 N/A ASN 220.A N ASP 217.A OD2 no hydrogen 2.992 N/A PHE 221.A N ASP 217.A O no hydrogen 2.823 N/A ASN 222.A N ASP 218.A O no hydrogen 2.888 N/A ALA 223.A N VAL 219.A O no hydrogen 2.914 N/A GLU 224.A N ASN 220.A O no hydrogen 2.880 N/A PHE 225.A N PHE 221.A O no hydrogen 2.909 N/A ASN 226.A N ASN 222.A O no hydrogen 2.872 N/A ASN 227.A N ALA 223.A O no hydrogen 2.899 N/A VAL 228.A N GLU 224.A O no hydrogen 2.933 N/A ALA 229.A N PHE 225.A O no hydrogen 2.957 N/A ILE 230.A N ASN 226.A O no hydrogen 2.876 N/A ILE 231.A N ASN 227.A O no hydrogen 2.921 N/A PHE 232.A N VAL 228.A O no hydrogen 2.941 N/A ASP 233.A N ALA 229.A O no hydrogen 2.903 N/A ASP 234.A N ILE 230.A O no hydrogen 2.853 N/A PHE 235.A N ILE 231.A O no hydrogen 2.941 N/A LYS 236.A N PHE 232.A O no hydrogen 2.910 N/A LYS 236.A NZ THR 240.A OG1 no hydrogen 3.342 N/A LYS 236.A NZ LYS 285.A O no hydrogen 3.462 N/A SER 237.A N ASP 233.A O no hydrogen 2.915 N/A SER 237.A OG ASP 233.A O no hydrogen 3.479 N/A SER 237.A OG ASP 234.A O no hydrogen 3.040 N/A SER 238.A N ASP 234.A O no hydrogen 2.890 N/A SER 238.A OG ASP 234.A O no hydrogen 2.390 N/A SER 238.A OG PHE 235.A O no hydrogen 3.041 N/A LEU 239.A N PHE 235.A O no hydrogen 2.943 N/A THR 240.A N LYS 236.A O no hydrogen 2.887 N/A THR 240.A OG1 LYS 236.A O no hydrogen 2.596 N/A GLY 241.A N LYS 236.A O no hydrogen 2.603 N/A ASP 248.A N GLY 245.A O no hydrogen 3.039 N/A VAL 250.A N LEU 246.A O no hydrogen 2.908 N/A ILE 251.A N ILE 247.A O no hydrogen 2.904 N/A GLU 252.A N ASP 248.A O no hydrogen 2.937 N/A VAL 253.A N ASN 249.A O no hydrogen 2.926 N/A LEU 254.A N VAL 250.A O no hydrogen 2.899 N/A ASN 255.A N ILE 251.A O no hydrogen 2.928 N/A THR 256.A N GLU 252.A O no hydrogen 2.875 N/A THR 256.A OG1 GLU 252.A O no hydrogen 2.969 N/A THR 256.A OG1 VAL 253.A O no hydrogen 2.751 N/A VAL 257.A N VAL 253.A O no hydrogen 2.952 N/A LYS 258.A N LEU 254.A O no hydrogen 2.868 N/A ALA 259.A N THR 256.A O no hydrogen 2.970 N/A LEU 260.A N VAL 257.A O no hydrogen 3.044 N/A LYS 264.A NZ PHE 262.A O no hydrogen 2.655 N/A SER 268.A N ASN 265.A O no hydrogen 3.197 N/A SER 268.A OG ASN 265.A O no hydrogen 2.523 N/A LEU 270.A N ALA 266.A O no hydrogen 2.904 N/A TYR 271.A N ASP 267.A O no hydrogen 2.888 N/A ARG 272.A N SER 268.A O no hydrogen 2.861 N/A GLU 273.A N LYS 269.A O no hydrogen 3.010 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.921 N/A LEU 274.A N LEU 270.A O no hydrogen 2.909 N/A VAL 275.A N TYR 271.A O no hydrogen 2.832 N/A THR 276.A N ARG 272.A O no hydrogen 2.918 N/A THR 276.A OG1 ARG 272.A O no hydrogen 2.753 N/A ARG 277.A N GLU 273.A O no hydrogen 2.950 N/A ARG 277.A NE GLU 273.A O no hydrogen 3.054 N/A THR 278.A N LEU 274.A O no hydrogen 2.879 N/A THR 278.A OG1 LEU 274.A O no hydrogen 3.118 N/A LYS 279.A N VAL 275.A O no hydrogen 2.866 N/A ALA 280.A N THR 276.A O no hydrogen 2.988 N/A LEU 281.A N ARG 277.A O no hydrogen 2.897 N/A GLU 282.A N THR 278.A O no hydrogen 2.804 N/A THR 283.A N LYS 279.A O no hydrogen 2.905 N/A THR 283.A OG1 LYS 279.A O no hydrogen 3.028 N/A THR 283.A OG1 GLU 282.A OE1 no hydrogen 3.498 N/A LEU 284.A N ALA 280.A O no hydrogen 2.979 N/A LYS 285.A N LEU 281.A O no hydrogen 2.806 N/A LYS 285.A NZ LEU 239.A O no hydrogen 3.086 N/A ASN 286.A N GLU 282.A O no hydrogen 2.919 N/A GLU 290.A N GLU 334.A OE1 no hydrogen 2.895 N/A THR 291.A OG1 GLU 290.A O no hydrogen 2.605 N/A THR 291.A OG1 GLU 334.A OE2 no hydrogen 3.056 N/A THR 291.A OG1 GLU 337.A OE1 no hydrogen 2.231 N/A SER 293.A OG THR 291.A O no hydrogen 3.360 N/A ASN 296.A N GLN 294.A O no hydrogen 2.937 N/A PHE 297.A N CYS 346.A O no hydrogen 2.280 N/A ASP 300.A N PRO 298.A O no hydrogen 2.728 N/A ILE 308.A N THR 306.A O no hydrogen 2.575 N/A ASN 310.A ND2 ASP 390.A OD2 no hydrogen 2.623 N/A GLU 316.A N GLU 316.A OE1 no hydrogen 2.636 N/A VAL 317.A N PHE 339.A O no hydrogen 3.190 N/A ARG 318.A N LYS 365.A O no hydrogen 2.546 N/A GLN 322.A N LEU 361.A O no hydrogen 3.324 N/A GLU 324.A N ASN 359.A O no hydrogen 3.369 N/A LYS 331.A NZ TYR 329.A O no hydrogen 3.463 N/A GLN 342.A NE2 GLY 314.A O no hydrogen 2.680 N/A ASN 344.A ND2 GLN 303.A OE1 no hydrogen 3.028 N/A LYS 350.A NZ THR 291.A O no hydrogen 3.202 N/A LYS 350.A NZ GLN 294.A OE1 no hydrogen 2.671 N/A LYS 356.A N ASP 354.A O no hydrogen 2.533 N/A LEU 361.A N GLN 322.A O no hydrogen 2.770 N/A PHE 363.A N ALA 320.A O no hydrogen 3.119 N/A ARG 364.A NH1 LYS 365.A O no hydrogen 3.169 N/A LYS 365.A N ARG 318.A O no hydrogen 2.842 N/A SER 368.A OG GLY 369.A O no hydrogen 3.262 N/A LYS 370.A N GLN 372.A OE1 no hydrogen 2.501 N/A LYS 370.A NZ SER 368.A OG no hydrogen 2.807 N/A THR 376.A OG1 GLY 375.A O no hydrogen 2.481 N/A THR 378.A OG1 ASN 359.A OD1 no hydrogen 2.912 N/A ASN 383.A ND2 ALA 345.A O no hydrogen 3.491 N/A ASN 383.A ND2 ASP 386.A OD2 no hydrogen 2.426 N/A HIS 388.A N PHE 384.A O no hydrogen 2.960 N/A HIS 388.A ND1 PHE 384.A O no hydrogen 2.338 N/A ARG 389.A N LYS 385.A O no hydrogen 2.820 N/A ASP 390.A N ASP 386.A O no hydrogen 2.961 N/A LEU 391.A N ILE 387.A O no hydrogen 2.849 N/A TYR 392.A N HIS 388.A O no hydrogen 3.020 N/A ASP 393.A N ARG 389.A O no hydrogen 2.984 N/A ALA 394.A N ASP 390.A O no hydrogen 2.883 N/A ALA 395.A N LEU 391.A O no hydrogen 2.984 N/A LEU 396.A N ASP 393.A O no hydrogen 2.992 N/A ASN 397.A N ALA 394.A O no hydrogen 3.262 N/A LYS 400.A NZ ARG 434.A O no hydrogen 3.015 N/A LYS 402.A N ASN 399.A OD1 no hydrogen 2.733 N/A ALA 403.A N ASN 399.A O no hydrogen 3.021 N/A VAL 404.A N LYS 400.A O no hydrogen 2.886 N/A ASP 405.A N LEU 401.A O no hydrogen 2.919 N/A GLU 406.A N LYS 402.A O no hydrogen 2.920 N/A ALA 407.A N ALA 403.A O no hydrogen 2.886 N/A THR 408.A N VAL 404.A O no hydrogen 2.908 N/A THR 408.A OG1 VAL 404.A O no hydrogen 2.692 N/A THR 409.A N ASP 405.A O no hydrogen 2.933 N/A THR 409.A OG1 ASP 405.A O no hydrogen 2.870 N/A THR 409.A OG1 GLU 406.A O no hydrogen 2.806 N/A LEU 410.A N GLU 406.A O no hydrogen 2.928 N/A LYS 413.A N THR 409.A O no hydrogen 2.934 N/A LYS 413.A NZ ASN 302.A O no hydrogen 3.393 N/A LYS 413.A NZ GLN 303.A O no hydrogen 2.248 N/A LYS 413.A NZ LEU 304.A O no hydrogen 2.864 N/A GLY 414.A N LEU 410.A O no hydrogen 2.996 N/A LYS 420.A NZ ASN 423.A OD1 no hydrogen 2.733 N/A PHE 421.A N ASP 424.A O no hydrogen 2.557 N/A ASP 424.A N PHE 421.A O no hydrogen 2.687 N/A MET 428.A N ARG 425.A O no hydrogen 2.721 N/A HIS 429.A N ARG 425.A O no hydrogen 2.781 N/A ALA 430.A N SER 426.A O no hydrogen 2.878 N/A TYR 433.A N HIS 429.A O no hydrogen 2.900 N/A ARG 434.A N VAL 431.A O no hydrogen 3.366 N/A ARG 434.A NE TYR 433.A O no hydrogen 2.951 N/A ARG 442.A N LYS 438.A O no hydrogen 2.877 N/A ARG 442.A NH1 ARG 442.A O no hydrogen 2.366 N/A PHE 443.A N ILE 439.A O no hydrogen 2.826 N/A LEU 444.A N ALA 440.A O no hydrogen 2.941 N/A LEU 445.A N ARG 442.A O no hydrogen 3.113 N/A LYS 446.A NZ PHE 443.A O no hydrogen 2.226 N/A GLN 448.A N LEU 444.A O no hydrogen 3.463 N/A GLU 453.A N GLU 453.A OE1 no hydrogen 2.495 N/A LEU 454.A N ASP 451.A O no hydrogen 3.056 N/A LYS 455.A NZ SER 490.A OG no hydrogen 3.325 N/A ASP 456.A N PHE 460.A O no hydrogen 3.277 N/A LYS 457.A NZ ASP 422.A O no hydrogen 2.589 N/A GLY 459.A N ASP 456.A O no hydrogen 2.914 N/A THR 461.A N HIS 464.A ND1 no hydrogen 2.874 N/A THR 461.A OG1 HIS 464.A ND1 no hydrogen 2.894 N/A LEU 463.A N THR 461.A OG1 no hydrogen 3.308 N/A HIS 464.A N THR 461.A O no hydrogen 2.862 N/A HIS 464.A ND1 THR 461.A O no hydrogen 2.964 N/A HIS 464.A NE2 ALA 487.A O no hydrogen 2.273 N/A ALA 466.A N PRO 462.A O no hydrogen 2.898 N/A ALA 467.A N LEU 463.A O no hydrogen 2.864 N/A GLU 468.A N HIS 464.A O no hydrogen 2.937 N/A ALA 469.A N ILE 465.A O no hydrogen 2.895 N/A GLY 470.A N ALA 467.A O no hydrogen 3.145 N/A GLN 471.A N ALA 466.A O no hydrogen 3.425 N/A GLN 471.A NE2 ALA 469.A O no hydrogen 2.729 N/A ALA 472.A N GLY 470.A O no hydrogen 2.899 N/A VAL 475.A N GLN 471.A O no hydrogen 2.649 N/A LYS 476.A N ALA 472.A O no hydrogen 2.930 N/A LYS 476.A NZ ASN 511.A OD1 no hydrogen 2.274 N/A LEU 477.A N GLY 473.A O no hydrogen 2.905 N/A LEU 478.A N PHE 474.A O no hydrogen 2.888 N/A ILE 479.A N VAL 475.A O no hydrogen 2.833 N/A ASN 480.A N LYS 476.A O no hydrogen 2.957 N/A HIS 481.A N LEU 478.A O no hydrogen 2.653 N/A ASN 486.A N ASP 484.A OD1 no hydrogen 2.765 N/A ALA 487.A N ASP 484.A O no hydrogen 3.293 N/A THR 489.A OG1 ASN 458.A O no hydrogen 2.817 N/A SER 490.A N ASN 458.A O no hydrogen 3.315 N/A SER 490.A OG ASN 458.A O no hydrogen 3.270 N/A HIS 498.A N THR 495.A O no hydrogen 2.869 N/A HIS 498.A N THR 495.A OG1 no hydrogen 3.204 N/A LEU 499.A N THR 495.A O no hydrogen 3.395 N/A ALA 500.A N PRO 496.A O no hydrogen 2.903 N/A THR 501.A N LEU 497.A O no hydrogen 2.923 N/A THR 501.A OG1 LEU 497.A O no hydrogen 3.131 N/A THR 501.A OG1 HIS 498.A O no hydrogen 2.408 N/A THR 501.A OG1 THR 533.A OG1 no hydrogen 2.863 N/A ARG 502.A N HIS 498.A O no hydrogen 2.884 N/A SER 503.A N LEU 499.A O no hydrogen 2.911 N/A SER 503.A OG LEU 499.A O no hydrogen 2.939 N/A SER 503.A OG ALA 500.A O no hydrogen 2.877 N/A GLY 504.A N ALA 500.A O no hydrogen 2.869 N/A ARG 510.A N SER 506.A O no hydrogen 2.931 N/A ASN 511.A N LYS 507.A O no hydrogen 2.923 N/A LEU 512.A N THR 508.A O no hydrogen 2.897 N/A LEU 513.A N VAL 509.A O no hydrogen 2.871 N/A GLU 514.A N ARG 510.A O no hydrogen 2.893 N/A GLU 514.A N ASN 511.A O no hydrogen 3.168 N/A LYS 523.A NZ GLY 527.A O no hydrogen 2.293 N/A LYS 523.A NZ PHE 528.A O no hydrogen 3.391 N/A LYS 523.A NZ GLN 556.A O no hydrogen 3.534 N/A GLU 524.A N PHE 528.A O no hydrogen 3.013 N/A GLY 527.A N GLU 524.A O no hydrogen 3.022 N/A THR 529.A N HIS 532.A ND1 no hydrogen 2.966 N/A THR 529.A OG1 HIS 532.A ND1 no hydrogen 2.546 N/A HIS 532.A N THR 529.A O no hydrogen 2.790 N/A HIS 532.A ND1 THR 529.A OG1 no hydrogen 2.546 N/A THR 533.A OG1 THR 501.A OG1 no hydrogen 2.863 N/A THR 533.A OG1 PRO 530.A O no hydrogen 2.286 N/A ALA 534.A N PRO 530.A O no hydrogen 2.920 N/A VAL 535.A N LEU 531.A O no hydrogen 2.864 N/A MET 536.A N HIS 532.A O no hydrogen 2.926 N/A SER 537.A N THR 533.A O no hydrogen 2.887 N/A SER 537.A OG THR 501.A O no hydrogen 3.511 N/A THR 538.A N ALA 534.A O no hydrogen 3.089 N/A THR 538.A N VAL 535.A O no hydrogen 3.250 N/A THR 538.A OG1 SER 537.A O no hydrogen 2.416 N/A VAL 542.A N TYR 539.A O no hydrogen 3.410 N/A ASP 543.A N MET 540.A O no hydrogen 2.944 N/A ALA 544.A N VAL 541.A O no hydrogen 3.137 N/A LEU 546.A N VAL 542.A O no hydrogen 2.873 N/A ASN 547.A N ASP 543.A O no hydrogen 2.916 N/A HIS 548.A N ALA 544.A O no hydrogen 3.425 N/A HIS 548.A ND1 ALA 544.A O no hydrogen 2.980 N/A LYS 553.A NZ ILE 551.A O no hydrogen 2.729 N/A SER 557.A OG GLY 527.A O no hydrogen 3.431 N/A SER 557.A OG LEU 561.A O no hydrogen 3.365 N/A THR 558.A N ASP 526.A O no hydrogen 2.718 N/A GLY 560.A N SER 557.A O no hydrogen 3.240 N/A THR 562.A OG1 GLN 556.A OE1 no hydrogen 3.171 N/A THR 562.A OG1 LEU 586.A O no hydrogen 3.261 N/A LEU 566.A N THR 562.A O no hydrogen 3.059 N/A ALA 567.A N PRO 563.A O no hydrogen 2.905 N/A ILE 568.A N PHE 564.A O no hydrogen 2.896 N/A ILE 569.A N HIS 565.A O no hydrogen 2.892 N/A ASN 570.A N LEU 566.A O no hydrogen 2.890 N/A ASN 570.A ND2 LEU 566.A O no hydrogen 2.418 N/A GLU 571.A N ALA 567.A O no hydrogen 2.404 N/A GLN 573.A NE2 GLU 577.A OE2 no hydrogen 3.352 N/A VAL 575.A N SER 572.A OG no hydrogen 3.351 N/A ALA 576.A N SER 572.A O no hydrogen 2.934 N/A GLU 577.A N GLN 573.A O no hydrogen 2.865 N/A SER 578.A N GLU 574.A O no hydrogen 2.947 N/A SER 578.A OG GLU 574.A O no hydrogen 2.858 N/A LEU 579.A N VAL 575.A O no hydrogen 2.867 N/A VAL 580.A N ALA 576.A O no hydrogen 2.879 N/A GLU 581.A N GLU 577.A O no hydrogen 2.922 N/A SER 582.A N SER 578.A O no hydrogen 2.896 N/A ASN 583.A N LEU 579.A O no hydrogen 3.335 N/A ASN 587.A ND2 LYS 618.A O no hydrogen 3.359 N/A GLN 589.A NE2 VAL 624.A O no hydrogen 2.754 N/A HIS 593.A N ASP 590.A O no hydrogen 2.740 N/A MET 594.A N ASP 590.A OD1 no hydrogen 2.754 N/A HIS 598.A N ALA 595.A O no hydrogen 2.644 N/A ALA 600.A N PRO 596.A O no hydrogen 2.929 N/A ALA 601.A N ILE 597.A O no hydrogen 2.898 N/A SER 602.A N HIS 598.A O no hydrogen 2.853 N/A SER 602.A OG HIS 598.A O no hydrogen 2.460 N/A MET 603.A N PHE 599.A O no hydrogen 2.902 N/A MET 608.A N SER 605.A OG no hydrogen 3.246 N/A LEU 609.A N SER 605.A O no hydrogen 2.689 N/A ARG 610.A N ILE 606.A O no hydrogen 2.842 N/A TYR 611.A N LYS 607.A O no hydrogen 2.957 N/A LEU 612.A N MET 608.A O no hydrogen 2.878 N/A ILE 613.A N LEU 609.A O no hydrogen 2.894 N/A SER 614.A N ARG 610.A O no hydrogen 2.870 N/A SER 614.A OG ARG 610.A O no hydrogen 3.182 N/A SER 614.A OG TYR 611.A O no hydrogen 2.480 N/A ILE 615.A N LEU 612.A O no hydrogen 3.020 N/A LYS 616.A NZ SER 614.A O no hydrogen 2.550 N/A LYS 618.A NZ ASP 617.A OD1 no hydrogen 2.279 N/A SER 620.A N LYS 618.A O no hydrogen 2.975 N/A ILE 621.A N VAL 619.A O no hydrogen 2.716 N/A ASN 622.A ND2 ASP 653.A O no hydrogen 2.312 N/A SER 623.A N SER 620.A O no hydrogen 3.059 N/A THR 625.A OG1 GLN 589.A OE1 no hydrogen 2.510 N/A THR 625.A OG1 HIS 593.A O no hydrogen 2.659 N/A THR 625.A OG1 GLU 626.A OE1 no hydrogen 3.307 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.908 N/A THR 631.A N HIS 634.A ND1 no hydrogen 3.026 N/A HIS 634.A N THR 631.A OG1 no hydrogen 2.470 N/A PHE 635.A N THR 631.A O no hydrogen 3.011 N/A ALA 636.A N PRO 632.A O no hydrogen 2.914 N/A ILE 637.A N LEU 633.A O no hydrogen 2.835 N/A TYR 638.A N HIS 634.A O no hydrogen 2.940 N/A PHE 639.A N PHE 635.A O no hydrogen 2.863 N/A LYS 641.A NZ MET 603.A O no hydrogen 2.888 N/A ALA 644.A N ASP 643.A OD1 no hydrogen 2.600 N/A ALA 645.A N LYS 641.A O no hydrogen 2.871 N/A LYS 646.A N GLU 642.A O no hydrogen 2.899 N/A GLU 647.A N ASP 643.A O no hydrogen 2.893 N/A LEU 648.A N ALA 644.A O no hydrogen 2.915 N/A LEU 649.A N ALA 645.A O no hydrogen 2.891 N/A LYS 650.A N LYS 646.A O no hydrogen 2.930 N/A LYS 650.A N GLU 647.A O no hydrogen 3.078 N/A GLN 651.A N LEU 648.A O no hydrogen 2.978 N/A GLN 651.A NE2 GLU 647.A O no hydrogen 3.130 N/A ILE 654.A N ASP 652.A O no hydrogen 2.556 N/A ASN 655.A N ASN 622.A OD1 no hydrogen 2.922 N/A THR 657.A N ASN 655.A OD1 no hydrogen 2.678 N/A THR 657.A OG1 ASN 655.A OD1 no hydrogen 2.414 N/A ASN 663.A N ALA 660.A O no hydrogen 2.945 N/A LEU 664.A N ASP 661.A O no hydrogen 3.428 N/A THR 665.A N HIS 668.A ND1 no hydrogen 2.884 N/A HIS 668.A NE2 GLU 691.A O no hydrogen 2.416 N/A LEU 669.A N THR 665.A O no hydrogen 2.864 N/A ALA 670.A N VAL 666.A O no hydrogen 2.881 N/A VAL 671.A N LEU 667.A O no hydrogen 2.877 N/A SER 672.A N HIS 668.A O no hydrogen 2.889 N/A SER 672.A OG HIS 668.A O no hydrogen 2.961 N/A THR 673.A N ALA 670.A O no hydrogen 3.207 N/A THR 673.A OG1 LEU 669.A O no hydrogen 3.336 N/A THR 673.A OG1 ALA 670.A O no hydrogen 2.343 N/A GLY 674.A N ALA 670.A O no hydrogen 3.342 N/A GLN 675.A NE2 GLU 642.A OE2 no hydrogen 2.580 N/A ASN 677.A N GLN 675.A OE1 no hydrogen 2.798 N/A ASN 677.A ND2 GLN 675.A OE1 no hydrogen 2.529 N/A ILE 679.A N GLN 675.A O no hydrogen 3.426 N/A LYS 680.A N ILE 676.A O no hydrogen 2.868 N/A LYS 680.A NZ ASN 677.A OD1 no hydrogen 2.950 N/A GLU 681.A N ASN 677.A O no hydrogen 2.918 N/A LEU 682.A N ILE 678.A O no hydrogen 2.863 N/A LEU 683.A N ILE 679.A O no hydrogen 2.892 N/A LYS 684.A N LYS 680.A O no hydrogen 2.903 N/A LYS 684.A NZ GLU 681.A OE1 no hydrogen 2.862 N/A ARG 685.A N GLU 681.A O no hydrogen 2.876 N/A ARG 685.A NH1 ASP 652.A O no hydrogen 3.201 N/A ARG 685.A NH2 LEU 649.A O no hydrogen 2.310 N/A GLY 686.A N LEU 682.A O no hydrogen 2.764 N/A GLU 690.A N ASN 688.A OD1 no hydrogen 3.138 N/A GLY 694.A N GLY 662.A O no hydrogen 2.752 N/A GLY 696.A N THR 693.A O no hydrogen 3.070 N/A TYR 697.A N THR 693.A OG1 no hydrogen 2.968 N/A THR 698.A N HIS 701.A ND1 no hydrogen 2.940 N/A THR 698.A OG1 HIS 701.A ND1 no hydrogen 2.627 N/A LEU 700.A N THR 698.A OG1 no hydrogen 3.269 N/A HIS 701.A N THR 698.A O no hydrogen 2.965 N/A HIS 701.A ND1 THR 698.A OG1 no hydrogen 2.627 N/A HIS 701.A NE2 ARG 725.A O no hydrogen 2.922 N/A ALA 703.A N SER 699.A O no hydrogen 2.892 N/A ALA 704.A N LEU 700.A O no hydrogen 2.874 N/A ARG 706.A N ALA 704.A O no hydrogen 2.612 N/A LYS 707.A N GLU 708.A OE1 no hydrogen 3.274 N/A GLU 710.A N GLU 710.A OE1 no hydrogen 2.674 N/A VAL 713.A N PRO 709.A O no hydrogen 3.154 N/A VAL 714.A N GLU 710.A O no hydrogen 2.905 N/A LEU 715.A N ILE 711.A O no hydrogen 2.914 N/A ILE 716.A N ALA 712.A O no hydrogen 2.879 N/A GLU 717.A N VAL 713.A O no hydrogen 2.916 N/A ASN 718.A N VAL 714.A O no hydrogen 2.918 N/A GLY 719.A N LEU 715.A O no hydrogen 2.623 N/A ALA 720.A N LEU 715.A O no hydrogen 3.055 N/A GLU 723.A N ASP 721.A OD1 no hydrogen 3.101 N/A ARG 725.A NH1 ASN 729.A OD1 no hydrogen 2.293 N/A ASN 729.A N SER 726.A O no hydrogen 2.808 N/A LEU 730.A N SER 726.A OG no hydrogen 2.504 N/A THR 731.A N HIS 734.A ND1 no hydrogen 2.932 N/A SER 735.A N THR 731.A O no hydrogen 2.928 N/A SER 735.A OG PRO 732.A O no hydrogen 2.738 N/A ALA 736.A N PRO 732.A O no hydrogen 2.876 N/A ALA 737.A N LEU 733.A O no hydrogen 2.881 N/A LYS 738.A N HIS 734.A O no hydrogen 2.902 N/A LYS 742.A NZ GLU 779.A OE2 no hydrogen 2.528 N/A THR 744.A OG1 ARG 741.A O no hydrogen 2.313 N/A LEU 746.A N LYS 742.A O no hydrogen 2.877 N/A TYR 747.A N SER 743.A O no hydrogen 2.898 N/A LEU 748.A N THR 744.A O no hydrogen 2.916 N/A LEU 749.A N VAL 745.A O no hydrogen 2.895 N/A GLU 750.A N LEU 746.A O no hydrogen 2.900 N/A LYS 751.A N LEU 748.A O no hydrogen 3.213 N/A GLY 752.A N LEU 749.A O no hydrogen 3.176 N/A ALA 753.A N LEU 748.A O no hydrogen 3.165 N/A ASP 754.A N GLU 723.A OE2 no hydrogen 2.844 N/A GLY 756.A N ASP 754.A OD1 no hydrogen 2.936 N/A ALA 757.A N ASP 754.A O no hydrogen 3.460 N/A THR 759.A OG1 ASP 728.A O no hydrogen 3.153 N/A GLY 762.A N THR 759.A O no hydrogen 2.797 N/A THR 764.A OG1 GLY 762.A O no hydrogen 3.419 N/A LEU 768.A N THR 764.A O no hydrogen 2.826 N/A ALA 769.A N ALA 765.A O no hydrogen 2.884 N/A VAL 770.A N LEU 766.A O no hydrogen 2.928 N/A SER 771.A N HIS 767.A O no hydrogen 2.839 N/A SER 771.A OG HIS 767.A O no hydrogen 2.304 N/A GLY 772.A N LEU 768.A O no hydrogen 2.910 N/A THR 777.A OG1 ALA 769.A O no hydrogen 3.554 N/A THR 777.A OG1 LYS 774.A O no hydrogen 2.659 N/A VAL 778.A N LYS 774.A O no hydrogen 3.000 N/A GLU 779.A N MET 775.A O no hydrogen 2.896 N/A THR 780.A N LYS 776.A O no hydrogen 2.940 N/A THR 780.A OG1 LYS 776.A O no hydrogen 2.695 N/A THR 780.A OG1 GLU 779.A OE2 no hydrogen 3.106 N/A LEU 781.A N THR 777.A O no hydrogen 2.918 N/A LEU 782.A N VAL 778.A O no hydrogen 2.901 N/A ASN 783.A N GLU 779.A O no hydrogen 2.857 N/A LYS 784.A N THR 780.A O no hydrogen 2.958 N/A LYS 795.A NZ ASN 793.A O no hydrogen 3.084 N/A HIS 800.A N LEU 797.A O no hydrogen 2.866 N/A LYS 801.A N LEU 797.A O no hydrogen 3.445 N/A ALA 802.A N PRO 798.A O no hydrogen 2.892 N/A ILE 803.A N ILE 799.A O no hydrogen 2.856 N/A ILE 803.A N HIS 800.A O no hydrogen 3.328 N/A ILE 804.A N HIS 800.A O no hydrogen 2.975 N/A ASN 805.A N LYS 801.A O no hydrogen 2.894 N/A ARG 812.A N LEU 808.A O no hydrogen 2.927 N/A LEU 813.A N ASP 809.A O no hydrogen 2.861 N/A PHE 814.A N MET 810.A O no hydrogen 2.921 N/A LEU 815.A N VAL 811.A O no hydrogen 2.901 N/A GLU 816.A N ARG 812.A O no hydrogen 2.459 N/A LYS 817.A N ARG 812.A O no hydrogen 2.399 N/A LYS 817.A NZ ASP 818.A OD2 no hydrogen 2.939 N/A ASP 818.A N LEU 813.A O no hydrogen 2.978 N/A LYS 822.A NZ ASP 823.A O no hydrogen 2.601 N/A LYS 822.A NZ ASP 824.A O no hydrogen 2.746 N/A GLU 825.A N GLU 825.A OE1 no hydrogen 2.768 N/A THR 826.A OG1 GLU 827.A O no hydrogen 3.568 N/A GLU 827.A N GLU 827.A OE1 no hydrogen 2.630 N/A GLY 829.A N THR 826.A O no hydrogen 2.803 N/A ARG 830.A N GLU 827.A O no hydrogen 3.471 N/A THR 831.A N THR 826.A OG1 no hydrogen 3.127 N/A MET 834.A N ARG 830.A O no hydrogen 2.303 N/A LEU 835.A N THR 831.A O no hydrogen 2.901 N/A ILE 836.A N SER 832.A O no hydrogen 2.899 N/A VAL 837.A N ILE 833.A O no hydrogen 2.927 N/A VAL 837.A N MET 834.A O no hydrogen 3.259 N/A TYR 845.A N LEU 842.A O no hydrogen 3.210 N/A TYR 847.A OH GLU 816.A OE2 no hydrogen 2.851 N/A ILE 849.A N TYR 845.A O no hydrogen 2.921 N/A ILE 849.A N ASN 846.A O no hydrogen 3.312 N/A ASN 850.A N TYR 847.A O no hydrogen 3.051 N/A