Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ooj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N THR 72.A O no hydrogen 2.471 N/A ALA 1.A N ASN 98.A OD1 no hydrogen 2.855 N/A GLY 2.A N THR 72.A O no hydrogen 2.984 N/A GLY 2.A N THR 72.A OG1 no hydrogen 2.720 N/A ILE 3.A N SER 191.A OG no hydrogen 3.095 N/A VAL 4.A N ALA 70.A O no hydrogen 2.957 N/A GLY 5.A N ILE 189.A O no hydrogen 2.770 N/A ALA 6.A N GLY 68.A O no hydrogen 2.892 N/A ILE 7.A N ASN 187.A O no hydrogen 2.893 N/A ALA 8.A N GLY 66.A O no hydrogen 2.665 N/A ARG 10.A NE GLU 186.A OE1 no hydrogen 3.020 N/A ARG 10.A NH2 GLU 186.A OE2 no hydrogen 2.883 N/A VAL 12.A N GLY 65.A O no hydrogen 3.031 N/A LEU 16.A N VAL 12.A O no hydrogen 2.840 N/A LEU 17.A N ALA 13.A O no hydrogen 2.902 N/A GLU 18.A N GLU 14.A O no hydrogen 2.918 N/A GLY 19.A N ILE 15.A O no hydrogen 2.881 N/A LEU 20.A N LEU 16.A O no hydrogen 2.948 N/A ARG 21.A N LEU 17.A O no hydrogen 2.886 N/A ARG 22.A N GLU 18.A O no hydrogen 2.907 N/A ARG 22.A NE GLU 18.A OE2 no hydrogen 2.717 N/A LEU 23.A N LEU 20.A O no hydrogen 2.862 N/A GLU 24.A N ARG 21.A O no hydrogen 3.232 N/A ARG 26.A N LEU 23.A O no hydrogen 2.939 N/A ARG 26.A NH1 ALA 1.A O no hydrogen 2.549 N/A ARG 26.A NH2 GLU 445.A OE2 no hydrogen 2.597 N/A TYR 28.A OH GLU 24.A OE1 no hydrogen 3.118 N/A ASP 29.A N ARG 73.A O no hydrogen 2.722 N/A SER 30.A OG ASP 29.A OD1 no hydrogen 2.822 N/A ALA 31.A N ARG 47.A O no hydrogen 2.957 N/A GLY 32.A N HIS 71.A O no hydrogen 2.950 N/A LEU 33.A N LEU 45.A O no hydrogen 2.898 N/A ALA 34.A N ILE 69.A O no hydrogen 2.880 N/A VAL 35.A N THR 43.A O no hydrogen 2.919 N/A VAL 36.A N THR 67.A O no hydrogen 2.905 N/A ASP 37.A N HIS 41.A O.A no hydrogen 3.094 N/A ASP 37.A N HIS 41.A O.B no hydrogen 3.079 N/A GLY 40.A N ASP 37.A O no hydrogen 2.813 N/A HIS 41.A N.A ASP 37.A OD1 no hydrogen 2.804 N/A HIS 41.A N.B ASP 37.A OD1 no hydrogen 2.812 N/A HIS 41.A ND1.A ASP 37.A OD2 no hydrogen 3.179 N/A THR 43.A N VAL 35.A O no hydrogen 2.850 N/A ARG 44.A NH1 PRO 87.A O no hydrogen 2.758 N/A LEU 45.A N LEU 33.A O no hydrogen 2.895 N/A ARG 46.A NH1 VAL 83.A O no hydrogen 3.042 N/A ARG 46.A NH1 ALA 85.A O no hydrogen 2.779 N/A ARG 47.A N ALA 31.A O no hydrogen 2.835 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 2.940 N/A GLY 49.A N ASP 29.A O no hydrogen 2.953 N/A VAL 51.A N TYR 28.A OH no hydrogen 2.742 N/A GLN 52.A NE2 GLN 56.A OE1 no hydrogen 3.016 N/A MET 53.A N LYS 50.A O no hydrogen 2.932 N/A ALA 55.A N VAL 51.A O no hydrogen 2.883 N/A GLN 56.A N GLN 52.A O no hydrogen 2.926 N/A ALA 57.A N MET 53.A O no hydrogen 2.935 N/A ALA 58.A N LEU 54.A O no hydrogen 2.887 N/A GLU 59.A N GLN 56.A O no hydrogen 2.987 N/A GLY 65.A N ASP 11.A OD1 no hydrogen 2.724 N/A THR 67.A OG1 PRO 166.A O no hydrogen 2.532 N/A GLY 68.A N ALA 6.A O no hydrogen 2.973 N/A ILE 69.A N ALA 34.A O no hydrogen 2.898 N/A HIS 71.A N GLY 32.A O no hydrogen 2.954 N/A HIS 71.A NE2 HIS 97.A O no hydrogen 2.951 N/A THR 72.A N GLY 2.A O no hydrogen 2.894 N/A ARG 73.A N SER 30.A O no hydrogen 2.916 N/A ARG 73.A NH1 GLY 78.A O no hydrogen 3.223 N/A ARG 73.A NH1 GLU 79.A O no hydrogen 3.191 N/A ARG 73.A NH2 GLY 78.A O no hydrogen 2.864 N/A TRP 74.A NE1 GLN 438.A O no hydrogen 3.085 N/A ALA 75.A N ASP 29.A OD2 no hydrogen 2.717 N/A THR 76.A OG1 HIS 77.A ND1 no hydrogen 2.811 N/A HIS 77.A ND1 THR 76.A OG1 no hydrogen 2.811 N/A ASN 84.A N SER 81.A O no hydrogen 3.117 N/A ASN 84.A N SER 81.A OG no hydrogen 3.101 N/A ASN 84.A ND2 GLU 79.A O no hydrogen 2.773 N/A ASN 84.A ND2 GLU 121.A OE2 no hydrogen 3.363 N/A ALA 85.A N SER 81.A O no hydrogen 3.005 N/A ALA 85.A N GLU 82.A O no hydrogen 3.239 N/A HIS 88.A N VAL 95.A O no hydrogen 2.926 N/A HIS 88.A NE2 ASN 84.A O no hydrogen 2.697 N/A SER 90.A N ILE 93.A O no hydrogen 2.887 N/A SER 90.A OG HIS 129.A ND1 no hydrogen 2.370 N/A ILE 93.A N SER 90.A O no hydrogen 3.128 N/A VAL 94.A N MET 161.A O no hydrogen 2.869 N/A VAL 95.A N HIS 88.A O no hydrogen 2.917 N/A VAL 96.A N VAL 159.A O no hydrogen 2.960 N/A HIS 97.A N HIS 86.A ND1 no hydrogen 3.227 N/A HIS 97.A ND1 THR 124.A OG1 no hydrogen 2.748 N/A HIS 97.A NE2 ALA 155.A O no hydrogen 2.923 N/A ASN 98.A N GLY 157.A O no hydrogen 3.038 N/A ILE 101.A N ASP 123.A OD2 no hydrogen 2.848 N/A GLU 102.A N ARG 153.A O no hydrogen 2.508 N/A ASN 103.A ND2 GLN 151.A O no hydrogen 2.884 N/A ARG 108.A N HIS 104.A O no hydrogen 2.859 N/A ARG 108.A NH1 HIS 104.A ND1 no hydrogen 2.872 N/A ARG 108.A NH2 HIS 104.A ND1 no hydrogen 3.028 N/A ARG 108.A NH2 THR 122.A O no hydrogen 3.026 N/A GLU 109.A N GLU 105.A O no hydrogen 2.937 N/A GLU 110.A N PRO 106.A O no hydrogen 2.910 N/A LEU 111.A N LEU 107.A O no hydrogen 2.912 N/A LYS 112.A N ARG 108.A O no hydrogen 2.891 N/A ALA 113.A N GLU 109.A O no hydrogen 2.916 N/A ARG 114.A N LEU 111.A O no hydrogen 3.215 N/A GLY 115.A N LYS 112.A O no hydrogen 2.889 N/A TYR 116.A N LEU 111.A O no hydrogen 3.067 N/A TYR 116.A OH ASN 132.A OD1 no hydrogen 2.697 N/A VAL 119.A N GLU 125.A OE2 no hydrogen 2.977 N/A SER 120.A N GLU 125.A OE1 no hydrogen 2.753 N/A SER 120.A OG THR 122.A OG1 no hydrogen 3.043 N/A SER 120.A OG GLU 125.A OE1 no hydrogen 2.688 N/A GLU 121.A N ASN 84.A OD1 no hydrogen 2.896 N/A THR 122.A N SER 120.A OG no hydrogen 3.078 N/A THR 122.A OG1 HIS 88.A NE2 no hydrogen 3.376 N/A THR 122.A OG1 SER 120.A OG no hydrogen 3.043 N/A THR 124.A OG1 HIS 97.A ND1 no hydrogen 2.748 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.082 N/A VAL 126.A N ASP 123.A O no hydrogen 3.115 N/A ILE 127.A N THR 124.A O no hydrogen 2.803 N/A HIS 129.A N GLU 125.A O no hydrogen 2.987 N/A HIS 129.A ND1 SER 90.A OG no hydrogen 2.370 N/A HIS 129.A NE2 THR 117.A O no hydrogen 3.108 N/A HIS 129.A NE2 GLU 125.A OE2 no hydrogen 3.186 N/A LEU 130.A N VAL 126.A O no hydrogen 2.895 N/A VAL 131.A N ILE 127.A O no hydrogen 2.906 N/A ASN 132.A N ALA 128.A O no hydrogen 2.940 N/A ASN 132.A ND2 SER 90.A O no hydrogen 2.958 N/A ASN 132.A ND2 GLU 91.A OE1 no hydrogen 3.116 N/A TRP 133.A N HIS 129.A O no hydrogen 2.885 N/A GLU 134.A N LEU 130.A O no hydrogen 2.922 N/A LEU 135.A N VAL 131.A O no hydrogen 2.910 N/A LYS 136.A N ASN 132.A O no hydrogen 2.974 N/A THR 140.A N GLU 143.A OE1 no hydrogen 3.091 N/A ARG 142.A NH1 GLU 213.A OE1 no hydrogen 3.355 N/A GLU 143.A N THR 140.A OG1 no hydrogen 3.042 N/A ALA 144.A N THR 140.A O no hydrogen 3.068 N/A VAL 145.A N LEU 141.A O no hydrogen 2.902 N/A LEU 146.A N ARG 142.A O no hydrogen 2.917 N/A ARG 147.A N GLU 143.A O no hydrogen 2.910 N/A ARG 147.A NE GLU 134.A OE1 no hydrogen 3.117 N/A ARG 147.A NH2 GLU 134.A O no hydrogen 2.881 N/A ARG 147.A NH2 GLY 138.A O no hydrogen 3.404 N/A ALA 148.A N ALA 144.A O no hydrogen 2.890 N/A ILE 149.A N VAL 145.A O no hydrogen 2.936 N/A GLN 151.A N ALA 148.A O no hydrogen 2.982 N/A GLN 151.A NE2 GLU 134.A OE2 no hydrogen 2.743 N/A GLN 151.A NE2 ARG 147.A O no hydrogen 3.276 N/A LEU 152.A N ILE 149.A O no hydrogen 2.948 N/A ARG 153.A N ASN 103.A OD1 no hydrogen 3.034 N/A ALA 155.A N ILE 100.A O no hydrogen 2.955 N/A TYR 156.A N SER 174.A OG no hydrogen 2.872 N/A GLY 157.A N SER 174.A O no hydrogen 2.914 N/A THR 158.A N ALA 172.A O no hydrogen 2.918 N/A THR 158.A OG1 VAL 96.A O no hydrogen 2.864 N/A VAL 159.A N VAL 96.A O no hydrogen 2.956 N/A ILE 160.A N LEU 170.A O no hydrogen 2.829 N/A MET 161.A N VAL 94.A O no hydrogen 2.908 N/A SER 163.A N HIS 92.A O no hydrogen 2.818 N/A SER 163.A OG HIS 92.A O no hydrogen 3.021 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 2.871 N/A ARG 164.A NE ASP 162.A OD1 no hydrogen 3.257 N/A ARG 164.A NH2 ASP 162.A OD2 no hydrogen 3.243 N/A HIS 165.A N ASP 162.A O no hydrogen 2.886 N/A THR 168.A OG1 ASP 167.A OD1.A no hydrogen 3.161 N/A LEU 169.A N ILE 214.A O no hydrogen 2.840 N/A LEU 170.A N ILE 160.A O no hydrogen 2.925 N/A ALA 171.A N ALA 212.A O no hydrogen 2.841 N/A ALA 172.A N THR 158.A O no hydrogen 2.950 N/A ARG 173.A N ASP 210.A O no hydrogen 3.040 N/A ARG 173.A NE GLU 208.A OE1 no hydrogen 3.359 N/A ARG 173.A NH2 GLU 208.A OE1 no hydrogen 3.248 N/A GLY 175.A N GLU 208.A OE1 no hydrogen 2.858 N/A VAL 179.A N ALA 190.A O no hydrogen 2.838 N/A ILE 180.A N ILE 204.A O no hydrogen 2.856 N/A GLY 181.A N PHE 188.A O no hydrogen 2.904 N/A LEU 182.A N ARG 202.A O no hydrogen 2.824 N/A GLY 183.A N GLU 186.A O no hydrogen 2.975 N/A ASN 187.A N ILE 7.A O no hydrogen 2.971 N/A ASN 187.A ND2 THR 215.A O no hydrogen 3.293 N/A PHE 188.A N GLY 181.A O no hydrogen 2.861 N/A ILE 189.A N GLY 5.A O no hydrogen 2.921 N/A ALA 190.A N VAL 179.A O no hydrogen 2.936 N/A SER 191.A N ILE 3.A O no hydrogen 2.978 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 2.710 N/A ALA 195.A N ASP 192.A O no hydrogen 2.989 N/A LEU 196.A N GLN 193.A O no hydrogen 2.914 N/A LEU 197.A N GLN 193.A O no hydrogen 3.202 N/A VAL 199.A N LEU 196.A O no hydrogen 2.819 N/A THR 200.A N LEU 196.A O no hydrogen 2.959 N/A THR 200.A OG1 LEU 182.A O no hydrogen 2.443 N/A ARG 201.A NE LEU 197.A O no hydrogen 3.409 N/A ARG 202.A N THR 200.A OG1 no hydrogen 3.185 N/A ARG 202.A NH2 ASP 233.A OD2 no hydrogen 3.158 N/A PHE 203.A N ILE 234.A O no hydrogen 2.839 N/A ILE 204.A N ILE 180.A O no hydrogen 2.926 N/A LEU 206.A N LEU 178.A O no hydrogen 2.900 N/A GLU 207.A N ASP 210.A OD2 no hydrogen 2.734 N/A GLY 209.A N ARG 173.A O no hydrogen 3.178 N/A ASP 210.A N GLU 207.A O no hydrogen 2.960 N/A ILE 211.A N PHE 222.A O no hydrogen 2.843 N/A ALA 212.A N ALA 171.A O no hydrogen 2.861 N/A GLU 213.A N ASN 220.A O no hydrogen 2.868 N/A ILE 214.A N LEU 169.A O no hydrogen 2.923 N/A THR 215.A N SER 218.A O no hydrogen 2.874 N/A THR 215.A OG1 SER 218.A O no hydrogen 3.544 N/A THR 215.A OG1 SER 218.A OG no hydrogen 2.966 N/A ARG 216.A NE GLY 185.A O no hydrogen 2.796 N/A ARG 216.A NH2 GLY 185.A O no hydrogen 3.301 N/A ARG 217.A N THR 215.A OG1 no hydrogen 3.217 N/A SER 218.A OG THR 215.A OG1 no hydrogen 2.966 N/A ASN 220.A N GLU 213.A O no hydrogen 2.928 N/A PHE 222.A N ILE 211.A O no hydrogen 2.919 N/A ASP 223.A N ALA 227.A O no hydrogen 3.189 N/A THR 225.A N ASP 223.A OD1 no hydrogen 2.811 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 2.698 N/A GLY 226.A N ASP 223.A O no hydrogen 3.136 N/A GLY 226.A N ASP 223.A OD1 no hydrogen 3.186 N/A ALA 227.A N THR 225.A OG1 no hydrogen 3.121 N/A VAL 229.A N ILE 221.A O no hydrogen 2.956 N/A ARG 231.A NH2 ASP 210.A OD1 no hydrogen 2.857 N/A GLN 232.A NE2 ASP 233.A O no hydrogen 3.095 N/A ILE 234.A N PHE 203.A O no hydrogen 2.883 N/A SER 236.A N ARG 201.A O no hydrogen 2.711 N/A SER 236.A OG GLN 193.A OE1 no hydrogen 3.521 N/A SER 236.A OG ASN 237.A O no hydrogen 2.879 N/A GLN 239.A N ASN 237.A O no hydrogen 3.110 N/A TYR 240.A OH GLN 193.A OE1 no hydrogen 2.730 N/A LYS 245.A NZ ARG 249.A O no hydrogen 2.941 N/A TYR 248.A N LYS 245.A O no hydrogen 2.981 N/A ARG 249.A N GLN 253.A OE1 no hydrogen 2.843 N/A HIS 250.A ND1 TYR 585.A OH no hydrogen 2.721 N/A TYR 251.A N ASP 596.A OD2 no hydrogen 2.711 N/A TYR 251.A OH GLY 243.A O no hydrogen 2.737 N/A MET 252.A N ASP 596.A OD1 no hydrogen 2.848 N/A LYS 254.A N HIS 250.A O no hydrogen 3.021 N/A LYS 254.A NZ GLU 258.A OE2 no hydrogen 3.447 N/A GLU 255.A N TYR 251.A O no hydrogen 2.870 N/A ILE 256.A N MET 252.A O no hydrogen 2.912 N/A TYR 257.A N GLN 253.A O no hydrogen 2.936 N/A TYR 257.A OH ASP 451.A OD1 no hydrogen 2.455 N/A GLU 258.A N LYS 254.A O no hydrogen 2.789 N/A GLN 259.A NE2 ILE 256.A O no hydrogen 2.967 N/A GLN 259.A NE2 GLN 581.A OE1 no hydrogen 2.756 N/A ALA 262.A N GLU 258.A O no hydrogen 2.853 N/A ILE 263.A N GLN 259.A O no hydrogen 2.880 N/A LYS 264.A N PRO 260.A O no hydrogen 2.968 N/A LYS 264.A NZ GLY 27.A O no hydrogen 2.822 N/A ASN 265.A N ASN 261.A O no hydrogen 2.949 N/A THR 266.A N ALA 262.A O no hydrogen 2.873 N/A THR 266.A OG1 ALA 262.A O no hydrogen 3.022 N/A THR 266.A OG1 THR 391.A O no hydrogen 2.677 N/A LEU 267.A N ILE 263.A O no hydrogen 2.961 N/A LEU 267.A N LYS 264.A O no hydrogen 3.034 N/A THR 268.A N LYS 264.A O no hydrogen 3.175 N/A THR 268.A N ASN 265.A O no hydrogen 3.416 N/A THR 268.A OG1 LYS 264.A O no hydrogen 3.385 N/A THR 268.A OG1 ASN 265.A O no hydrogen 3.547 N/A ARG 270.A N LEU 267.A O no hydrogen 2.845 N/A ARG 270.A NE GLU 280.A OE1 no hydrogen 2.742 N/A ARG 270.A NH1 THR 266.A O no hydrogen 3.032 N/A ARG 270.A NH1 MET 390.A O no hydrogen 3.018 N/A ARG 270.A NH2 GLU 280.A OE1 no hydrogen 3.414 N/A ARG 270.A NH2 GLU 280.A OE2 no hydrogen 2.908 N/A ARG 270.A NH2 MET 390.A O no hydrogen 3.115 N/A SER 272.A N GLN 275.A O no hydrogen 2.980 N/A SER 272.A OG ASP 277.A OD2 no hydrogen 3.043 N/A VAL 276.A N GLU 430.A OE2 no hydrogen 2.720 N/A ASP 277.A N ARG 270.A O no hydrogen 2.575 N/A SER 279.A N ASP 277.A OD1 no hydrogen 3.027 N/A SER 279.A OG ASP 277.A OD1 no hydrogen 3.106 N/A LEU 281.A N LEU 278.A O no hydrogen 3.086 N/A GLY 282.A N SER 279.A O no hydrogen 2.846 N/A LEU 289.A N ALA 285.A O no hydrogen 2.934 N/A SER 290.A N GLU 287.A O no hydrogen 2.945 N/A SER 290.A OG GLU 287.A O no hydrogen 2.608 N/A LYS 291.A N LEU 288.A O no hydrogen 2.801 N/A VAL 292.A N LEU 289.A O no hydrogen 3.335 N/A GLU 293.A N ASN 340.A O no hydrogen 2.805 N/A HIS 294.A N ASN 340.A O no hydrogen 3.356 N/A HIS 294.A ND1 SER 341.A OG no hydrogen 2.934 N/A HIS 294.A NE2 ASP 323.A OD2 no hydrogen 2.546 N/A ILE 295.A N PRO 321.A O no hydrogen 2.813 N/A GLN 296.A N LEU 342.A O no hydrogen 2.811 N/A GLN 296.A NE2 ILE 297.A O no hydrogen 3.277 N/A ILE 297.A N ASP 323.A O no hydrogen 2.850 N/A LEU 298.A N ILE 344.A O no hydrogen 2.870 N/A ALA 299.A N GLU 325.A O no hydrogen 3.350 N/A CYS 300.A SG THR 355.A OG1 no hydrogen 3.533 N/A THR 302.A OG1 GLU 481.A OE1 no hydrogen 2.874 N/A THR 302.A OG1 GLU 481.A OE2 no hydrogen 3.508 N/A TYR 304.A N CYS 300.A O no hydrogen 3.362 N/A ASN 305.A N GLY 301.A O no hydrogen 3.028 N/A ASN 305.A ND2 GLU 481.A OE1 no hydrogen 2.944 N/A SER 306.A N THR 302.A O no hydrogen 3.015 N/A SER 306.A OG SER 303.A O no hydrogen 2.804 N/A SER 306.A OG GLN 408.A OE1 no hydrogen 2.674 N/A GLY 307.A N SER 303.A O no hydrogen 2.981 N/A MET 308.A N TYR 304.A O no hydrogen 2.901 N/A VAL 309.A N ASN 305.A O no hydrogen 3.033 N/A SER 310.A N SER 306.A O no hydrogen 3.037 N/A SER 310.A OG GLY 307.A O no hydrogen 2.743 N/A ARG 311.A N GLY 307.A O no hydrogen 2.970 N/A TRP 313.A N VAL 309.A O no hydrogen 3.151 N/A PHE 314.A N SER 310.A O no hydrogen 2.843 N/A GLU 315.A N ARG 311.A O no hydrogen 2.981 N/A SER 316.A N TYR 312.A O no hydrogen 2.980 N/A SER 316.A OG TYR 312.A O no hydrogen 3.005 N/A LEU 317.A N TRP 313.A O no hydrogen 2.878 N/A ALA 318.A N PHE 314.A O no hydrogen 3.171 N/A ILE 320.A N PHE 314.A O no hydrogen 3.223 N/A CYS 322.A N GLU 315.A OE2 no hydrogen 3.107 N/A ASP 323.A N ILE 295.A O no hydrogen 2.979 N/A GLU 325.A N ILE 297.A O no hydrogen 2.966 N/A ALA 327.A N ALA 299.A O no hydrogen 2.933 N/A PHE 330.A N ILE 326.A O no hydrogen 3.217 N/A ARG 331.A N ALA 327.A O no hydrogen 2.951 N/A ARG 331.A NH1 ASP 354.A OD1 no hydrogen 2.843 N/A ARG 331.A NH1 GLU 608.A OE1 no hydrogen 3.444 N/A ARG 331.A NH1 GLU 608.A OE2 no hydrogen 2.780 N/A ARG 331.A NH2 GLU 608.A OE1 no hydrogen 3.007 N/A TYR 332.A N SER 328.A O no hydrogen 3.303 N/A ARG 333.A N PHE 330.A O no hydrogen 3.472 N/A ARG 333.A NE GLU 325.A OE2 no hydrogen 2.774 N/A ARG 333.A NH2 GLU 325.A OE1 no hydrogen 2.877 N/A ARG 338.A NH1 ALA 336.A O no hydrogen 2.674 N/A ASN 340.A ND2 GLU 293.A OE2 no hydrogen 2.538 N/A SER 341.A OG HIS 294.A ND1 no hydrogen 2.934 N/A LEU 342.A N HIS 294.A O no hydrogen 2.857 N/A MET 343.A N GLY 369.A O no hydrogen 2.892 N/A ILE 344.A N GLN 296.A O no hydrogen 2.632 N/A THR 345.A N LEU 371.A O no hydrogen 2.954 N/A LEU 346.A N LEU 298.A O no hydrogen 3.260 N/A SER 347.A N ILE 373.A O no hydrogen 3.042 N/A GLY 350.A N SER 347.A OG no hydrogen 2.807 N/A GLU 351.A N SER 349.A OG no hydrogen 3.023 N/A ALA 353.A N VAL 605.A O no hydrogen 2.982 N/A LEU 356.A N THR 352.A O no hydrogen 3.003 N/A ALA 357.A N ALA 353.A O no hydrogen 2.893 N/A GLY 358.A N ASP 354.A O no hydrogen 2.892 N/A LEU 359.A N THR 355.A O no hydrogen 2.958 N/A ARG 360.A N LEU 356.A O no hydrogen 2.939 N/A ARG 360.A NE GLU 384.A OE1 no hydrogen 2.753 N/A ARG 360.A NH2 GLU 384.A OE1 no hydrogen 3.555 N/A ARG 360.A NH2 GLU 384.A OE2 no hydrogen 2.730 N/A LEU 361.A N ALA 357.A O no hydrogen 2.884 N/A SER 362.A N GLY 358.A O no hydrogen 2.923 N/A SER 362.A OG LEU 359.A O no hydrogen 2.997 N/A LYS 363.A N LEU 359.A O no hydrogen 3.020 N/A LYS 363.A NZ GLU 384.A O no hydrogen 2.999 N/A GLU 364.A N LEU 361.A O no hydrogen 3.171 N/A LEU 365.A N SER 362.A O no hydrogen 3.024 N/A LEU 368.A N SER 341.A O no hydrogen 2.772 N/A SER 370.A N ASP 386.A OD2 no hydrogen 2.905 N/A LEU 371.A N MET 343.A O no hydrogen 2.787 N/A ALA 372.A N LEU 387.A O no hydrogen 2.832 N/A ILE 373.A N THR 345.A O no hydrogen 2.833 N/A CYS 374.A N LEU 389.A O no hydrogen 3.051 N/A CYS 374.A SG SER 347.A O no hydrogen 3.290 N/A CYS 374.A SG GLN 348.A O no hydrogen 3.924 N/A CYS 374.A SG VAL 376.A O no hydrogen 3.796 N/A CYS 374.A SG SER 379.A OG no hydrogen 3.438 N/A ASN 375.A N GLN 348.A O no hydrogen 3.313 N/A ASN 375.A ND2 GLN 348.A OE1 no hydrogen 3.041 N/A ASN 375.A ND2 GLY 394.A O no hydrogen 2.991 N/A SER 379.A OG VAL 376.A O no hydrogen 3.104 N/A SER 380.A N GLU 351.A OE2 no hydrogen 2.885 N/A SER 380.A OG GLU 351.A OE1 no hydrogen 2.694 N/A SER 380.A OG GLU 351.A OE2 no hydrogen 3.464 N/A LEU 381.A N GLY 350.A O no hydrogen 3.125 N/A ARG 383.A N SER 379.A O no hydrogen 2.873 N/A ARG 383.A NH1 GLY 378.A O no hydrogen 2.579 N/A GLU 384.A N SER 380.A O no hydrogen 2.946 N/A SER 385.A OG LEU 381.A O no hydrogen 2.836 N/A ASP 386.A N SER 370.A OG no hydrogen 2.987 N/A LEU 387.A N SER 370.A O no hydrogen 2.889 N/A LEU 389.A N ALA 372.A O no hydrogen 2.848 N/A THR 391.A N CYS 374.A O no hydrogen 2.837 N/A THR 391.A OG1 CYS 374.A O no hydrogen 3.216 N/A THR 391.A OG1 ASN 375.A OD1 no hydrogen 2.791 N/A ASN 392.A ND2 ASN 265.A O no hydrogen 3.438 N/A ALA 393.A N ASN 375.A OD1 no hydrogen 2.957 N/A ILE 397.A N GLU 255.A OE2 no hydrogen 2.516 N/A GLY 398.A N GLU 255.A OE1 no hydrogen 2.998 N/A GLY 398.A N GLU 255.A OE2 no hydrogen 3.137 N/A VAL 399.A N ASP 596.A O no hydrogen 3.239 N/A THR 402.A N GLU 396.A OE2 no hydrogen 2.790 N/A LYS 403.A N THR 402.A OG1 no hydrogen 2.760 N/A LYS 403.A NZ GLU 258.A OE1 no hydrogen 2.561 N/A LYS 403.A NZ ALA 393.A O no hydrogen 2.826 N/A LYS 403.A NZ THR 395.A O no hydrogen 2.896 N/A ALA 404.A N GLU 396.A OE2 no hydrogen 2.970 N/A PHE 405.A N THR 402.A O no hydrogen 2.964 N/A THR 406.A N THR 402.A O no hydrogen 3.282 N/A THR 406.A OG1 GLN 259.A OE1 no hydrogen 2.691 N/A THR 406.A OG1 LYS 403.A O no hydrogen 3.506 N/A THR 407.A N LYS 403.A O no hydrogen 2.942 N/A THR 407.A OG1 LYS 403.A O no hydrogen 2.660 N/A THR 407.A OG1 ALA 404.A O no hydrogen 3.197 N/A GLN 408.A N ALA 404.A O no hydrogen 2.980 N/A GLN 408.A NE2 SER 303.A OG no hydrogen 2.881 N/A LEU 409.A N PHE 405.A O no hydrogen 2.924 N/A THR 410.A N THR 406.A O no hydrogen 2.939 N/A THR 410.A OG1 THR 406.A O no hydrogen 2.892 N/A VAL 411.A N THR 407.A O no hydrogen 2.958 N/A LEU 412.A N GLN 408.A O no hydrogen 2.920 N/A LEU 413.A N LEU 409.A O no hydrogen 2.927 N/A MET 414.A N THR 410.A O no hydrogen 3.020 N/A LEU 415.A N VAL 411.A O no hydrogen 2.956 N/A LEU 415.A N LEU 412.A O no hydrogen 2.870 N/A VAL 416.A N LEU 412.A O no hydrogen 3.082 N/A VAL 416.A N LEU 413.A O no hydrogen 3.053 N/A LEU 419.A N LEU 415.A O no hydrogen 2.979 N/A LEU 419.A N VAL 416.A O no hydrogen 3.108 N/A SER 420.A N ALA 417.A O no hydrogen 3.281 N/A SER 420.A OG ASP 426.A OD1 no hydrogen 2.417 N/A SER 420.A OG ASP 426.A OD2 no hydrogen 3.463 N/A ARG 421.A N ALA 318.A O no hydrogen 2.733 N/A ARG 421.A NE VAL 292.A O no hydrogen 3.080 N/A ARG 421.A NH1 SER 420.A O no hydrogen 2.874 N/A ARG 421.A NH2 LEU 289.A O no hydrogen 2.716 N/A ARG 421.A NH2 VAL 292.A O no hydrogen 2.929 N/A GLU 430.A N ASP 426.A O no hydrogen 3.201 N/A HIS 431.A N.A ALA 427.A O no hydrogen 2.961 N/A HIS 431.A N.B ALA 427.A O no hydrogen 2.951 N/A ASP 432.A N SER 428.A O no hydrogen 2.854 N/A ILE 433.A N ILE 429.A O no hydrogen 2.933 N/A VAL 434.A N GLU 430.A O no hydrogen 2.896 N/A HIS 435.A N.A HIS 431.A O.A no hydrogen 2.911 N/A HIS 435.A N.A HIS 431.A O.B no hydrogen 2.911 N/A HIS 435.A N.B HIS 431.A O.A no hydrogen 2.915 N/A HIS 435.A N.B HIS 431.A O.B no hydrogen 2.915 N/A GLY 436.A N ASP 432.A O no hydrogen 2.850 N/A LEU 437.A N ILE 433.A O no hydrogen 2.874 N/A GLN 438.A N VAL 434.A O no hydrogen 2.907 N/A ALA 439.A N HIS 435.A O.A no hydrogen 2.915 N/A ALA 439.A N HIS 435.A O.B no hydrogen 2.943 N/A LEU 440.A N LEU 437.A O no hydrogen 3.239 N/A ARG 443.A N ALA 439.A O no hydrogen 2.981 N/A ARG 443.A NE GLU 568.A OE1 no hydrogen 2.963 N/A ARG 443.A NH1 GLU 102.A OE2 no hydrogen 3.332 N/A ARG 443.A NH1 GLN 446.A OE1 no hydrogen 2.942 N/A ARG 443.A NH2 GLU 102.A OE2 no hydrogen 2.957 N/A ARG 443.A NH2 GLU 568.A OE2 no hydrogen 2.740 N/A ILE 444.A N LEU 440.A O no hydrogen 2.817 N/A GLU 445.A N PRO 441.A O no hydrogen 3.063 N/A GLN 446.A N SER 442.A O no hydrogen 3.036 N/A MET 447.A N ARG 443.A O no hydrogen 3.065 N/A LEU 448.A N ILE 444.A O no hydrogen 2.817 N/A SER 449.A N GLU 445.A O no hydrogen 2.914 N/A SER 449.A OG GLU 445.A O no hydrogen 2.718 N/A GLN 450.A N MET 447.A O no hydrogen 2.792 N/A GLN 450.A NE2 GLN 446.A O no hydrogen 3.021 N/A ASP 451.A N LEU 448.A O no hydrogen 2.991 N/A ARG 453.A NE GLN 450.A OE1 no hydrogen 3.047 N/A ARG 453.A NH2 GLN 450.A OE1 no hydrogen 3.100 N/A ARG 453.A NH2 GLU 563.A O no hydrogen 2.498 N/A ILE 454.A N GLN 450.A O no hydrogen 3.053 N/A GLU 455.A N ASP 451.A O no hydrogen 2.694 N/A ALA 456.A N LYS 452.A O no hydrogen 2.979 N/A LEU 457.A N ARG 453.A O no hydrogen 3.048 N/A ALA 458.A N ILE 454.A O no hydrogen 2.908 N/A GLU 459.A N ALA 456.A O no hydrogen 3.144 N/A ASP 460.A N LEU 457.A O no hydrogen 2.835 N/A PHE 461.A N ALA 458.A O no hydrogen 2.861 N/A SER 462.A OG GLU 459.A O no hydrogen 3.454 N/A LYS 464.A N PHE 461.A O no hydrogen 2.878 N/A LYS 464.A NZ ALA 512.A O no hydrogen 3.428 N/A HIS 465.A N ASP 513.A OD1.A no hydrogen 3.228 N/A ALA 467.A N HIS 493.A O no hydrogen 3.086 N/A LEU 468.A N PRO 515.A O no hydrogen 3.034 N/A PHE 469.A N GLU 495.A O no hydrogen 2.730 N/A LEU 470.A N ILE 517.A O no hydrogen 2.677 N/A ARG 472.A NH1 GLU 524.A OE1 no hydrogen 2.882 N/A ARG 472.A NH2 GLU 524.A OE2 no hydrogen 2.835 N/A GLN 475.A N ARG 472.A O no hydrogen 3.249 N/A TYR 476.A N GLY 473.A O no hydrogen 2.880 N/A ALA 479.A N GLN 475.A O no hydrogen 2.926 N/A LEU 480.A N TYR 476.A O no hydrogen 2.932 N/A GLU 481.A N PRO 477.A O no hydrogen 3.004 N/A GLY 482.A N ILE 478.A O no hydrogen 2.871 N/A ALA 483.A N ALA 479.A O no hydrogen 2.939 N/A LEU 484.A N LEU 480.A O no hydrogen 2.974 N/A LYS 485.A N GLU 481.A O no hydrogen 2.938 N/A LYS 485.A NZ SER 401.A O no hydrogen 2.929 N/A LYS 485.A NZ GLU 481.A OE2 no hydrogen 2.635 N/A LYS 485.A NZ GLU 488.A OE1 no hydrogen 2.905 N/A LEU 486.A N GLY 482.A O no hydrogen 3.145 N/A LYS 487.A N ALA 483.A O no hydrogen 2.990 N/A LYS 487.A NZ ALA 494.A O no hydrogen 2.596 N/A GLU 488.A N LEU 484.A O no hydrogen 2.834 N/A ILE 489.A N LYS 485.A O no hydrogen 3.246 N/A SER 490.A N LEU 486.A O no hydrogen 3.129 N/A SER 490.A OG LEU 486.A O no hydrogen 2.690 N/A TYR 491.A N LYS 487.A O no hydrogen 3.048 N/A ILE 492.A N LEU 486.A O no hydrogen 3.430 N/A HIS 493.A N HIS 465.A O no hydrogen 3.134 N/A GLU 495.A N ALA 467.A O no hydrogen 2.845 N/A TYR 497.A N PHE 469.A O no hydrogen 2.850 N/A ALA 499.A N GLY 471.A O no hydrogen 2.916 N/A GLU 501.A N ALA 498.A O no hydrogen 2.903 N/A LYS 503.A NZ GLU 535.A OE1 no hydrogen 2.603 N/A LYS 503.A NZ GLU 535.A OE2 no hydrogen 3.567 N/A HIS 504.A N GLU 501.A O no hydrogen 2.897 N/A GLY 505.A N LEU 502.A O no hydrogen 3.486 N/A LEU 507.A N LEU 502.A O no hydrogen 3.053 N/A ALA 508.A N GLY 505.A O no hydrogen 2.978 N/A LEU 509.A N PRO 506.A O no hydrogen 2.885 N/A ILE 510.A N LEU 507.A O no hydrogen 3.353 N/A ASP 513.A N ASP 511.A OD1 no hydrogen 2.859 N/A MET 514.A N ASP 511.A O no hydrogen 3.035 N/A VAL 516.A N GLN 542.A O no hydrogen 2.982 N/A ILE 517.A N LEU 468.A O no hydrogen 2.875 N/A VAL 518.A N TYR 544.A O no hydrogen 2.781 N/A VAL 519.A N LEU 470.A O no hydrogen 2.974 N/A ALA 520.A N PHE 546.A O no hydrogen 2.756 N/A ASN 522.A ND2 GLU 524.A OE1 no hydrogen 3.417 N/A ASN 523.A ND2 GLU 527.A OE2 no hydrogen 2.935 N/A LEU 525.A N ASN 522.A OD1 no hydrogen 2.763 N/A LEU 526.A N ASN 522.A O no hydrogen 2.888 N/A GLU 527.A N ASN 523.A O no hydrogen 2.890 N/A LYS 528.A N GLU 524.A O no hydrogen 3.017 N/A LYS 528.A NZ GLU 524.A OE2 no hydrogen 2.871 N/A LEU 529.A N LEU 525.A O no hydrogen 2.938 N/A LYS 530.A N LEU 526.A O no hydrogen 2.859 N/A LYS 530.A NZ GLU 534.A OE2 no hydrogen 3.132 N/A SER 531.A N GLU 527.A O no hydrogen 2.975 N/A ASN 532.A N LYS 528.A O no hydrogen 2.958 N/A ILE 533.A N LEU 529.A O no hydrogen 2.871 N/A GLU 534.A N LYS 530.A O no hydrogen 2.933 N/A GLU 535.A N SER 531.A O no hydrogen 3.040 N/A VAL 536.A N ILE 533.A O no hydrogen 3.070 N/A ARG 537.A N GLU 534.A O no hydrogen 3.131 N/A ARG 537.A NE GLU 534.A OE1 no hydrogen 2.724 N/A ARG 537.A NH1 ASP 557.A OD1 no hydrogen 3.402 N/A ARG 537.A NH1 ASP 557.A OD2 no hydrogen 3.421 N/A ARG 537.A NH2 GLU 534.A OE1 no hydrogen 2.944 N/A ARG 537.A NH2 GLU 534.A OE2 no hydrogen 3.042 N/A ARG 537.A NH2 ASP 557.A OD1 no hydrogen 3.331 N/A ARG 539.A N VAL 536.A O no hydrogen 2.948 N/A ARG 539.A NE ILE 510.A O no hydrogen 2.879 N/A ARG 539.A NH2 ILE 510.A O no hydrogen 2.955 N/A GLY 540.A N ARG 537.A O no hydrogen 2.816 N/A GLY 541.A N VAL 536.A O no hydrogen 3.336 N/A GLN 542.A NE2 GLY 540.A O no hydrogen 3.540 N/A LEU 543.A N ASN 558.A O no hydrogen 2.752 N/A TYR 544.A N VAL 516.A O no hydrogen 2.598 N/A TYR 544.A OH ASP 460.A OD2 no hydrogen 2.752 N/A VAL 545.A N HIS 560.A O no hydrogen 2.856 N/A PHE 546.A N VAL 518.A O no hydrogen 3.162 N/A ALA 547.A N ILE 562.A O no hydrogen 3.408 N/A GLN 549.A N MET 564.A O no hydrogen 2.917 N/A ASP 550.A N ASP 548.A OD1 no hydrogen 2.950 N/A ALA 551.A N ASP 548.A O no hydrogen 2.979 N/A GLY 552.A N GLN 549.A O no hydrogen 2.954 N/A SER 556.A N MET 559.A O no hydrogen 2.973 N/A SER 556.A OG ASN 558.A OD1 no hydrogen 3.303 N/A HIS 560.A N LEU 543.A O no hydrogen 2.695 N/A HIS 560.A NE2 GLN 542.A OE1 no hydrogen 2.714 N/A ILE 561.A N SER 555.A OG no hydrogen 3.227 N/A ILE 562.A N VAL 545.A O no hydrogen 2.696 N/A MET 564.A N ALA 547.A O no hydrogen 2.801 N/A HIS 566.A ND1 ASP 548.A OD2 no hydrogen 2.763 N/A GLU 568.A N GLU 568.A OE1 no hydrogen 2.581 N/A ALA 572.A N GLU 569.A O no hydrogen 2.953 N/A PHE 575.A N ILE 571.A O no hydrogen 3.102 N/A TYR 576.A N ALA 572.A O no hydrogen 2.868 N/A THR 577.A N ILE 574.A O no hydrogen 3.023 N/A THR 577.A OG1 PRO 573.A O no hydrogen 3.000 N/A GLN 581.A N THR 577.A O no hydrogen 3.104 N/A GLN 581.A NE2 GLN 259.A OE1 no hydrogen 3.282 N/A LEU 582.A N VAL 578.A O no hydrogen 2.961 N/A LEU 583.A N PRO 579.A O no hydrogen 2.937 N/A ALA 584.A N LEU 580.A O no hydrogen 3.195 N/A TYR 585.A N GLN 581.A O no hydrogen 2.841 N/A TYR 585.A OH HIS 250.A ND1 no hydrogen 2.721 N/A HIS 586.A N LEU 582.A O no hydrogen 2.769 N/A VAL 587.A N LEU 583.A O no hydrogen 2.842 N/A ALA 588.A N ALA 584.A O no hydrogen 2.964 N/A LEU 589.A N TYR 585.A O no hydrogen 2.980 N/A ILE 590.A N HIS 586.A O no hydrogen 3.035 N/A LYS 591.A N VAL 587.A O no hydrogen 3.077 N/A LYS 591.A NZ SER 490.A O no hydrogen 2.848 N/A GLY 592.A N ALA 588.A O no hydrogen 2.680 N/A THR 593.A N ALA 588.A O no hydrogen 3.090 N/A THR 593.A OG1 ILE 489.A O no hydrogen 2.732 N/A THR 593.A OG1 ALA 588.A O no hydrogen 3.460 N/A GLN 597.A N ASP 594.A OD1 no hydrogen 3.246 N/A ARG 599.A N TYR 491.A OH no hydrogen 3.124 N/A LEU 601.A N PRO 598.A O no hydrogen 3.317 N/A LYS 603.A NZ GLU 396.A OE1 no hydrogen 2.934 N/A LYS 603.A NZ GLY 398.A O no hydrogen 2.847 N/A