Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6zo0_CCC.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1.B VAL 16.A O no hydrogen 2.937 N/A ARG 5.A NH1.B ASP 18.A OD1 no hydrogen 3.012 N/A ARG 5.A NH2.A VAL 16.A O no hydrogen 2.860 N/A ARG 5.A NH2.A ASP 18.A OD1 no hydrogen 2.599 N/A GLN 6.A NE2 GLU 10.A OE2 no hydrogen 2.956 N/A GLN 7.A N ASN 4.A OD1 no hydrogen 3.085 N/A TYR 8.A N ASN 4.A O no hydrogen 2.858 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.439 N/A ALA 9.A N ARG 5.A O.A no hydrogen 3.218 N/A ALA 9.A N ARG 5.A O.B no hydrogen 2.735 N/A GLU 10.A N GLN 6.A O no hydrogen 2.870 N/A SER 11.A N GLN 7.A O no hydrogen 2.838 N/A SER 11.A N TYR 8.A O no hydrogen 2.958 N/A SER 11.A OG GLN 7.A O no hydrogen 3.049 N/A TYR 12.A N TYR 8.A O no hydrogen 2.900 N/A GLY 13.A N ALA 9.A O no hydrogen 3.041 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.767 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.795 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.483 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.876 N/A GLY 17.A N VAL 31.A O no hydrogen 2.971 N/A ASP 18.A N THR 15.A O no hydrogen 2.868 N/A GLN 19.A NE2 GLU 30.A OE1 no hydrogen 2.934 N/A GLN 19.A NE2 ASN 394.A O no hydrogen 3.248 N/A VAL 20.A N ILE 29.A O no hydrogen 2.939 N/A ARG 21.A NH1 THR 25.A O no hydrogen 2.855 N/A ARG 21.A NH1 ASP 26.A OD1.A no hydrogen 3.144 N/A LEU 22.A N LEU 27.A O no hydrogen 3.014 N/A ALA 23.A N PRO 438.A O no hydrogen 2.772 N/A THR 25.A N LEU 22.A O no hydrogen 2.938 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.812 N/A ASP 26.A N.A ASP 380.A OD1 no hydrogen 2.814 N/A ASP 26.A N.B ASP 380.A OD1 no hydrogen 2.787 N/A LEU 27.A N THR 25.A OG1 no hydrogen 2.925 N/A TRP 28.A N ASP 397.A OD2 no hydrogen 2.882 N/A ILE 29.A N VAL 20.A O no hydrogen 3.051 N/A GLU 30.A N ASN 398.A OD1 no hydrogen 2.693 N/A VAL 31.A N ASP 18.A O no hydrogen 3.098 N/A GLU 32.A N ILE 82.A O no hydrogen 2.822 N/A LYS 33.A NZ TYR 35.A OH no hydrogen 2.545 N/A TYR 35.A N LYS 84.A O no hydrogen 2.911 N/A THR 36.A N ASP 34.A OD1 no hydrogen 2.833 N/A THR 37.A OG1 ASP 107.A O no hydrogen 3.208 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.483 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 2.765 N/A ASP 40.A N THR 37.A O no hydrogen 2.593 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.746 N/A LYS 48.A N.A GLY 45.A O no hydrogen 2.933 N/A LYS 48.A N.B GLY 45.A O no hydrogen 2.931 N/A VAL 49.A N ASN 43.A OD1 no hydrogen 3.179 N/A LEU 50.A N ASN 43.A O no hydrogen 3.047 N/A ARG 51.A N VAL 49.A O no hydrogen 2.801 N/A ARG 51.A NE LYS 48.A O.A no hydrogen 2.607 N/A ARG 51.A NE LYS 48.A O.B no hydrogen 2.577 N/A GLY 53.A N GLU 56.A O no hydrogen 3.020 N/A MET 54.A N ARG 51.A O no hydrogen 2.867 N/A GLY 55.A N VAL 49.A O no hydrogen 2.740 N/A GLU 56.A N ARG 51.A O no hydrogen 3.090 N/A ASN 57.A N VAL 115.A O no hydrogen 2.705 N/A ASN 57.A ND2 ASN 102.A OD1 no hydrogen 3.097 N/A THR 59.A N ASN 57.A OD1 no hydrogen 2.637 N/A TYR 60.A N ASN 57.A OD1 no hydrogen 2.916 N/A THR 61.A N GLU 64.A OE1.A no hydrogen 3.041 N/A THR 61.A OG1 GLU 64.A OE1.A no hydrogen 2.838 N/A ARG 62.A NE ASP 68.A OD1 no hydrogen 2.790 N/A ARG 62.A NH2 ASP 68.A OD2 no hydrogen 2.949 N/A ARG 62.A NH2 ASP 91.A OD1 no hydrogen 2.995 N/A GLU 64.A N THR 61.A O no hydrogen 3.040 N/A ASN 65.A N THR 63.A O no hydrogen 2.868 N/A LEU 67.A N ILE 114.A O no hydrogen 2.918 N/A LEU 69.A N VAL 89.A O no hydrogen 3.139 N/A LEU 70.A N GLU 120.A O no hydrogen 2.907 N/A LEU 71.A N ILE 87.A O no hydrogen 2.865 N/A THR 72.A N ILE 122.A O no hydrogen 2.947 N/A THR 72.A OG1 ILE 122.A O no hydrogen 3.400 N/A THR 72.A OG1 GLU 125.A OE1 no hydrogen 2.885 N/A ASN 73.A N ASP 86.A OD1 no hydrogen 2.945 N/A ASN 73.A ND2 ALA 42.A O no hydrogen 2.891 N/A ASN 73.A ND2 GLU 125.A OE1 no hydrogen 2.856 N/A ALA 74.A N ALA 85.A O no hydrogen 2.845 N/A LEU 75.A N LYS 127.A O no hydrogen 3.357 N/A ILE 76.A N TYR 83.A O no hydrogen 2.777 N/A LEU 77.A N VAL 129.A O no hydrogen 3.171 N/A ASP 78.A N GLY 81.A O no hydrogen 3.013 N/A TYR 79.A OH GLU 426.A OE2 no hydrogen 2.705 N/A THR 80.A N ASP 78.A OD2 no hydrogen 3.164 N/A THR 80.A OG1 ASP 78.A OD2 no hydrogen 2.598 N/A GLY 81.A N ASP 78.A O no hydrogen 3.123 N/A ILE 82.A N GLU 32.A OE1 no hydrogen 3.040 N/A TYR 83.A N ILE 76.A O no hydrogen 3.052 N/A LYS 84.A N LYS 33.A O no hydrogen 2.808 N/A LYS 84.A NZ TYR 12.A O no hydrogen 2.735 N/A LYS 84.A NZ PRO 14.A O no hydrogen 2.858 N/A ALA 85.A N ALA 74.A O no hydrogen 2.931 N/A ASP 86.A N GLY 98.A O no hydrogen 2.840 N/A ILE 87.A N LEU 71.A O no hydrogen 2.823 N/A GLY 88.A N GLY 96.A O no hydrogen 2.760 N/A VAL 89.A N LEU 69.A O no hydrogen 2.864 N/A LYS 90.A N TYR 93.A O no hydrogen 2.766 N/A LYS 90.A NZ ARG 62.A O no hydrogen 2.766 N/A LYS 90.A NZ VAL 66.A O no hydrogen 2.994 N/A ASP 91.A N ASP 68.A OD2 no hydrogen 2.798 N/A TYR 93.A N LYS 90.A O no hydrogen 3.006 N/A TYR 93.A OH GLU 421.A OE1 no hydrogen 2.648 N/A ILE 94.A N LYS 429.A O no hydrogen 2.793 N/A VAL 95.A N GLY 88.A O no hydrogen 2.844 N/A GLY 96.A N GLY 88.A O no hydrogen 3.288 N/A ILE 97.A N GLU 427.A OE2 no hydrogen 2.829 N/A GLY 98.A N ASP 86.A O no hydrogen 2.977 N/A LYS 99.A N THR 110.A OG1 no hydrogen 3.029 N/A LYS 99.A NZ ASP 40.A O no hydrogen 2.903 N/A LYS 99.A NZ GLY 100.A O no hydrogen 2.862 N/A GLY 100.A N ASP 86.A OD2 no hydrogen 2.749 N/A GLY 101.A N MET 113.A O no hydrogen 3.227 N/A ASN 102.A ND2 MET 54.A O no hydrogen 2.912 N/A ASN 102.A ND2 ASP 104.A OD2 no hydrogen 2.981 N/A ASP 104.A N ASN 102.A OD1 no hydrogen 2.923 N/A ILE 105.A N ASN 102.A O no hydrogen 3.391 N/A MET 106.A N ASN 102.A O no hydrogen 2.979 N/A ASP 107.A N ASP 40.A OD2 no hydrogen 3.131 N/A THR 110.A N LYS 99.A O no hydrogen 2.865 N/A THR 110.A OG1 LYS 99.A O no hydrogen 3.517 N/A ASN 112.A ND2 VAL 95.A O no hydrogen 2.953 N/A MET 113.A N THR 110.A O no hydrogen 2.873 N/A ILE 114.A N ASN 65.A O no hydrogen 3.208 N/A VAL 115.A N GLY 101.A O no hydrogen 2.991 N/A GLY 116.A N THR 119.A OG1 no hydrogen 2.852 N/A THR 119.A N GLY 116.A O no hydrogen 3.068 N/A THR 119.A OG1 LEU 67.A O no hydrogen 2.549 N/A THR 119.A OG1 GLY 116.A O no hydrogen 3.343 N/A GLU 120.A N ASP 68.A O no hydrogen 2.818 N/A VAL 121.A N GLU 120.A OE1 no hydrogen 2.853 N/A ILE 122.A N LEU 70.A O no hydrogen 2.871 N/A ALA 124.A N THR 72.A O no hydrogen 2.818 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.666 N/A LYS 127.A N ALA 124.A O no hydrogen 2.786 N/A ILE 128.A N TRP 436.A O no hydrogen 2.890 N/A VAL 129.A N LEU 75.A O no hydrogen 2.906 N/A THR 130.A N VAL 434.A O no hydrogen 2.884 N/A THR 130.A OG1 ALA 131.A O no hydrogen 3.112 N/A GLY 132.A N ASP 432.A O no hydrogen 3.189 N/A GLY 133.A N GLY 153.A O no hydrogen 2.801 N/A ILE 134.A N TYR 408.A O no hydrogen 2.873 N/A ASP 135.A N THR 156.A O no hydrogen 3.009 N/A HIS 137.A N ASP 135.A OD1 no hydrogen 3.026 N/A VAL 138.A N PHE 158.A O no hydrogen 2.911 N/A HIS 139.A ND1 SER 168.A O no hydrogen 2.924 N/A HIS 139.A NE2 ASP 361.A OD1 no hydrogen 2.943 N/A PHE 140.A N GLY 160.A O no hydrogen 3.025 N/A ILE 141.A N GLN 145.A OE1 no hydrogen 2.957 N/A ASN 142.A N GLN 145.A OE1 no hydrogen 2.980 N/A ASP 144.A N ASN 142.A OD1 no hydrogen 3.069 N/A GLN 145.A N ASN 142.A O no hydrogen 2.859 N/A GLN 145.A NE2 HIS 139.A O no hydrogen 2.854 N/A VAL 146.A N PRO 143.A O no hydrogen 3.122 N/A ALA 149.A N GLN 145.A O no hydrogen 3.050 N/A LEU 150.A N VAL 146.A O no hydrogen 2.821 N/A ALA 151.A N ASP 147.A O no hydrogen 2.870 N/A ASN 152.A N ALA 149.A O no hydrogen 3.156 N/A ASN 152.A ND2 GLY 442.A O no hydrogen 2.968 N/A ASN 152.A ND2 VAL 443.A O no hydrogen 3.109 N/A GLY 153.A N LEU 150.A O no hydrogen 2.829 N/A ILE 154.A N ALA 149.A O no hydrogen 3.058 N/A THR 155.A N GLY 133.A O no hydrogen 2.683 N/A THR 155.A OG1 GLY 133.A O no hydrogen 3.491 N/A THR 156.A N GLY 133.A O no hydrogen 3.159 N/A LEU 157.A N ASN 193.A O no hydrogen 2.702 N/A PHE 158.A N ASP 135.A O no hydrogen 2.789 N/A GLY 159.A N GLY 195.A O no hydrogen 3.233 N/A GLY 160.A N VAL 138.A O no hydrogen 2.957 N/A GLY 161.A N THR 174.A OG1 no hydrogen 2.910 N/A THR 162.A N SER 168.A OG no hydrogen 2.704 N/A THR 162.A OG1 SER 168.A OG no hydrogen 3.357 N/A GLY 163.A N PHE 140.A O no hydrogen 2.835 N/A ALA 165.A N GLY 163.A O no hydrogen 2.638 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.827 N/A SER 168.A OG THR 162.A OG1 no hydrogen 3.357 N/A LYS 169.A N ALA 165.A O no hydrogen 2.638 N/A LYS 169.A NZ GLU 166.A OE2 no hydrogen 2.938 N/A ALA 170.A N GLU 166.A O no hydrogen 2.796 N/A THR 171.A N GLY 167.A O no hydrogen 2.751 N/A THR 171.A OG1 GLY 167.A O no hydrogen 2.671 N/A THR 174.A N LEU 197.A O no hydrogen 2.911 N/A THR 174.A OG1 GLY 161.A O no hydrogen 3.401 N/A GLY 176.A N GLN 211.A OE1 no hydrogen 3.010 N/A ASN 179.A ND2 PRO 175.A O no hydrogen 2.611 N/A ILE 180.A N GLY 176.A O no hydrogen 3.115 N/A GLU 181.A N PRO 177.A O no hydrogen 3.040 N/A LYS 182.A N TRP 178.A O no hydrogen 2.975 N/A MET 183.A N ASN 179.A O no hydrogen 3.009 N/A LEU 184.A N ILE 180.A O no hydrogen 2.898 N/A LYS 185.A N.A GLU 181.A O no hydrogen 2.996 N/A LYS 185.A N.B GLU 181.A O no hydrogen 2.994 N/A SER 186.A N LYS 182.A O no hydrogen 2.863 N/A THR 187.A N MET 183.A O no hydrogen 2.722 N/A THR 187.A OG1 MET 183.A O no hydrogen 2.836 N/A GLU 188.A N LYS 185.A O.A no hydrogen 3.194 N/A GLU 188.A N LYS 185.A O.B no hydrogen 3.181 N/A GLY 189.A N SER 186.A O no hydrogen 2.843 N/A LEU 190.A N THR 187.A O no hydrogen 2.933 N/A ILE 192.A N LEU 190.A O no hydrogen 2.862 N/A ASN 193.A N THR 155.A O no hydrogen 2.968 N/A ASN 193.A ND2 THR 156.A OG1 no hydrogen 3.000 N/A ASN 193.A ND2 ASP 432.A OD2 no hydrogen 2.781 N/A VAL 194.A N ILE 490.A O no hydrogen 3.117 N/A GLY 195.A N LEU 157.A O no hydrogen 2.960 N/A LEU 197.A N GLY 159.A O no hydrogen 2.835 N/A GLY 198.A N GLY 218.A O no hydrogen 2.883 N/A LYS 199.A N GLN 211.A OE1 no hydrogen 3.020 N/A HIS 201.A N LYS 199.A O no hydrogen 2.865 N/A GLY 202.A N SER 230.A OG no hydrogen 3.194 N/A ILE 208.A N ILE 205.A O no hydrogen 2.937 N/A MET 209.A N ILE 205.A O no hydrogen 2.889 N/A GLU 210.A N ALA 206.A O no hydrogen 2.974 N/A GLN 211.A N ILE 208.A O no hydrogen 3.067 N/A GLN 211.A NE2 LYS 199.A O no hydrogen 3.205 N/A GLN 211.A NE2 ILE 208.A O no hydrogen 3.077 N/A ILE 212.A N MET 209.A O no hydrogen 2.783 N/A ASP 213.A N MET 209.A O no hydrogen 3.092 N/A ALA 214.A N GLU 210.A O no hydrogen 2.946 N/A GLY 215.A N ILE 212.A O no hydrogen 3.051 N/A ALA 216.A N GLN 211.A O no hydrogen 3.053 N/A ALA 217.A N ILE 196.A O no hydrogen 2.658 N/A LEU 219.A N GLN 244.A O no hydrogen 2.946 N/A HIS 221.A N HIS 201.A NE2 no hydrogen 2.908 N/A ASP 223.A N HIS 221.A ND1 no hydrogen 3.004 N/A TRP 224.A N HIS 221.A O no hydrogen 2.830 N/A TRP 224.A NE1 THR 171.A OG1 no hydrogen 2.994 N/A GLY 225.A N GLU 222.A O no hydrogen 2.790 N/A SER 230.A N THR 227.A OG1 no hydrogen 3.081 N/A SER 230.A OG HIS 201.A ND1 no hydrogen 3.413 N/A ILE 231.A N THR 227.A O no hydrogen 3.042 N/A ASP 232.A N PRO 228.A O no hydrogen 3.059 N/A ARG 233.A N ALA 229.A O no hydrogen 2.898 N/A ARG 233.A NE SER 203.A O no hydrogen 2.883 N/A ARG 233.A NH1 ASP 232.A OD2 no hydrogen 2.884 N/A ARG 233.A NH2 SER 203.A O no hydrogen 3.155 N/A SER 234.A N SER 230.A O no hydrogen 3.142 N/A SER 234.A OG SER 230.A O no hydrogen 3.004 N/A LEU 235.A N ILE 231.A O no hydrogen 3.179 N/A THR 236.A N ASP 232.A O no hydrogen 2.895 N/A THR 236.A OG1 ASP 232.A O no hydrogen 3.098 N/A VAL 237.A N ARG 233.A O no hydrogen 2.742 N/A ALA 238.A N SER 234.A O no hydrogen 2.772 N/A ASP 239.A N LEU 235.A O no hydrogen 2.885 N/A GLU 240.A N THR 236.A O no hydrogen 3.290 N/A GLU 240.A N VAL 237.A O no hydrogen 3.057 N/A ALA 241.A N VAL 237.A O no hydrogen 2.948 N/A ALA 241.A N ALA 238.A O no hydrogen 3.260 N/A VAL 243.A N ALA 238.A O no hydrogen 3.352 N/A GLN 244.A NE2 ALA 415.A O no hydrogen 2.868 N/A GLN 244.A NE2 CYS 518.A O no hydrogen 3.099 N/A VAL 245.A N GLN 244.A OE1 no hydrogen 3.059 N/A ALA 246.A N LEU 219.A O no hydrogen 2.858 N/A ILE 247.A N HIS 271.A O no hydrogen 2.872 N/A HIS 248.A N ILE 220.A O no hydrogen 2.806 N/A HIS 248.A ND1 HIS 274.A NE2 no hydrogen 2.978 N/A HIS 248.A NE2 GLU 222.A OE2 no hydrogen 2.608 N/A THR 251.A N GLU 222.A OE1 no hydrogen 2.974 N/A THR 251.A OG1 GLU 222.A OE1 no hydrogen 3.443 N/A THR 251.A OG1 GLU 222.A OE2 no hydrogen 2.637 N/A THR 251.A OG1 GLY 281.A O no hydrogen 3.250 N/A ASN 253.A N ASP 250.A O no hydrogen 3.102 N/A ASN 253.A ND2 ALA 283.A O no hydrogen 2.909 N/A GLU 254.A N ASP 250.A OD1 no hydrogen 3.011 N/A ALA 255.A N ASP 250.A OD2 no hydrogen 2.895 N/A PHE 257.A N ASP 260.A OD1 no hydrogen 2.627 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.868 N/A THR 261.A N PHE 257.A O no hydrogen 3.207 N/A THR 261.A OG1 HIS 282.A NE2 no hydrogen 2.664 N/A LEU 262.A N LEU 258.A O no hydrogen 2.957 N/A ARG 263.A N GLU 259.A O no hydrogen 2.921 N/A ALA 264.A N ASP 260.A O no hydrogen 2.977 N/A ILE 265.A N THR 261.A O no hydrogen 2.889 N/A ASN 266.A N LEU 262.A O no hydrogen 2.751 N/A ARG 268.A N ILE 265.A O no hydrogen 3.027 N/A ARG 268.A NE ILE 265.A O no hydrogen 3.001 N/A ARG 268.A NH1 ASP 232.A O no hydrogen 3.557 N/A ARG 268.A NH1 THR 236.A OG1 no hydrogen 3.011 N/A ARG 268.A NH2 ASP 232.A OD1 no hydrogen 2.956 N/A ARG 268.A NH2 ALA 264.A O no hydrogen 2.937 N/A ILE 270.A N ASN 294.A O no hydrogen 3.250 N/A HIS 271.A N VAL 245.A O no hydrogen 2.809 N/A HIS 271.A ND1 GLN 416.A OE1.B no hydrogen 2.740 N/A HIS 271.A NE2 SER 298.A OG no hydrogen 2.914 N/A SER 272.A N LEU 296.A O no hydrogen 2.807 N/A PHE 273.A N ILE 247.A O no hydrogen 2.978 N/A HIS 274.A ND1 HIS 274.A O no hydrogen 2.858 N/A VAL 275.A N SER 298.A O no hydrogen 2.809 N/A GLY 277.A N HIS 274.A O no hydrogen 2.966 N/A ALA 278.A N GLU 276.A OE1 no hydrogen 2.787 N/A GLY 280.A N GLY 277.A O no hydrogen 2.846 N/A GLY 281.A N THR 251.A OG1 no hydrogen 2.668 N/A HIS 282.A N SER 249.A OG no hydrogen 3.311 N/A HIS 282.A ND1 ASN 253.A OD1 no hydrogen 2.840 N/A HIS 282.A NE2 THR 261.A OG1 no hydrogen 2.664 N/A ALA 283.A N THR 251.A O no hydrogen 3.246 N/A ILE 286.A N HIS 282.A O no hydrogen 2.912 N/A ALA 288.A N ASP 285.A O no hydrogen 2.831 N/A MET 289.A N ILE 286.A O no hydrogen 2.773 N/A ALA 290.A N MET 287.A O no hydrogen 3.015 N/A GLY 291.A N ALA 288.A O no hydrogen 3.293 N/A HIS 292.A N MET 289.A O no hydrogen 3.081 N/A ASN 294.A ND2 ARG 268.A O no hydrogen 2.604 N/A VAL 295.A N HIS 292.A O no hydrogen 3.259 N/A LEU 296.A N ILE 270.A O no hydrogen 2.861 N/A SER 298.A N SER 272.A O no hydrogen 2.895 N/A SER 298.A OG HIS 271.A NE2 no hydrogen 2.914 N/A SER 298.A OG SER 272.A O no hydrogen 3.531 N/A SER 299.A N MET 357.A O no hydrogen 2.954 N/A SER 299.A OG GLU 346.A OE2 no hydrogen 2.626 N/A SER 299.A OG HIS 350.A NE2 no hydrogen 2.600 N/A ASN 301.A N THR 360.A O no hydrogen 3.432 N/A ASN 301.A ND2 ARG 367.A O no hydrogen 2.701 N/A THR 303.A OG1 GLU 346.A OE1 no hydrogen 2.594 N/A THR 303.A OG1 GLU 346.A OE2 no hydrogen 3.315 N/A ARG 304.A N ASN 301.A O no hydrogen 2.760 N/A ARG 304.A NH1 ASP 347.A OD1 no hydrogen 2.505 N/A ARG 304.A NH1 THR 378.A OG1 no hydrogen 3.380 N/A ARG 304.A NH2 GLU 346.A OE1 no hydrogen 3.059 N/A ARG 304.A NH2 ASP 347.A OD1 no hydrogen 2.574 N/A PHE 306.A N ASP 347.A OD1 no hydrogen 3.282 N/A PHE 306.A N ASP 347.A OD2 no hydrogen 3.236 N/A THR 307.A N THR 310.A OG1 no hydrogen 2.851 N/A THR 307.A OG1 THR 310.A OG1 no hydrogen 2.949 N/A VAL 308.A N VAL 556.A O no hydrogen 3.006 N/A THR 310.A N THR 307.A O no hydrogen 3.185 N/A THR 310.A OG1 THR 307.A O no hydrogen 3.098 N/A THR 310.A OG1 THR 307.A OG1 no hydrogen 2.949 N/A GLU 313.A N ASN 309.A O no hydrogen 2.943 N/A HIS 314.A N THR 310.A O no hydrogen 2.999 N/A HIS 314.A ND1 THR 310.A O no hydrogen 2.977 N/A LEU 315.A N ILE 311.A O no hydrogen 2.750 N/A ASP 316.A N ASP 312.A O no hydrogen 3.138 N/A MET 317.A N GLU 313.A O no hydrogen 2.872 N/A LEU 318.A N HIS 314.A O no hydrogen 2.964 N/A MET 319.A N LEU 315.A O no hydrogen 3.095 N/A VAL 320.A N ASP 316.A O no hydrogen 2.937 N/A HIS 322.A N VAL 320.A O no hydrogen 3.145 N/A LEU 323.A N MET 319.A O no hydrogen 2.748 N/A LYS 324.A N ASP 330.A OD2 no hydrogen 2.737 N/A GLU 329.A N GLU 329.A OE1 no hydrogen 2.863 N/A VAL 331.A N ILE 327.A O no hydrogen 3.262 N/A ALA 332.A N PRO 328.A O no hydrogen 2.699 N/A PHE 333.A N GLU 329.A O no hydrogen 2.795 N/A ALA 334.A N ASP 330.A O no hydrogen 2.951 N/A ASP 335.A N VAL 331.A O no hydrogen 3.037 N/A SER 336.A N ALA 332.A O no hydrogen 2.979 N/A SER 336.A OG ALA 332.A O no hydrogen 3.445 N/A SER 336.A OG PHE 333.A O no hydrogen 2.747 N/A ARG 337.A N ALA 334.A O no hydrogen 3.072 N/A ARG 337.A NE ALA 278.A O no hydrogen 2.999 N/A ARG 337.A NH2 ALA 278.A O no hydrogen 2.840 N/A ILE 338.A N ALA 334.A O no hydrogen 2.986 N/A ARG 339.A NE THR 342.A OG1 no hydrogen 2.906 N/A ARG 339.A NH1 SER 336.A O no hydrogen 2.809 N/A ARG 339.A NH2 GLU 276.A OE2 no hydrogen 3.484 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.845 N/A THR 342.A N ARG 339.A O no hydrogen 3.199 N/A THR 342.A OG1 GLU 276.A OE2 no hydrogen 2.533 N/A THR 342.A OG1 ARG 339.A O no hydrogen 3.506 N/A ILE 343.A N ARG 339.A O no hydrogen 3.020 N/A ALA 344.A N PRO 340.A O no hydrogen 2.836 N/A GLU 346.A N THR 342.A O no hydrogen 2.818 N/A ASP 347.A N ILE 343.A O no hydrogen 3.306 N/A LEU 349.A N ALA 345.A O no hydrogen 2.742 N/A HIS 350.A N GLU 346.A O no hydrogen 3.060 N/A HIS 350.A NE2 SER 299.A OG no hydrogen 2.600 N/A ASP 351.A N ASP 347.A O no hydrogen 3.287 N/A LEU 352.A N ILE 348.A O no hydrogen 2.854 N/A GLY 353.A N HIS 350.A O no hydrogen 3.002 N/A ILE 354.A N LEU 349.A O no hydrogen 2.690 N/A ILE 355.A N LEU 349.A O no hydrogen 3.335 N/A SER 356.A N PRO 297.A O no hydrogen 3.012 N/A SER 356.A OG ASN 529.A O no hydrogen 2.852 N/A MET 358.A N.A LYS 407.A O no hydrogen 2.942 N/A MET 358.A N.B LYS 407.A O no hydrogen 2.935 N/A SER 359.A OG SER 299.A O no hydrogen 2.665 N/A THR 360.A N ASP 135.A OD1 no hydrogen 3.062 N/A THR 360.A OG1 ASP 135.A OD1 no hydrogen 3.437 N/A THR 360.A OG1 ASP 135.A OD2 no hydrogen 2.638 N/A ALA 362.A N THR 360.A OG1 no hydrogen 2.864 N/A LEU 363.A N GLY 366.A O no hydrogen 2.947 N/A ALA 364.A N.A ASP 361.A O no hydrogen 3.206 N/A ALA 364.A N.B ASP 361.A O no hydrogen 3.206 N/A MET 365.A N ASP 361.A O no hydrogen 3.203 N/A ARG 367.A N ASN 301.A OD1 no hydrogen 2.966 N/A ARG 367.A NH2 GLU 313.A OE2 no hydrogen 2.566 N/A GLU 370.A N ARG 367.A O no hydrogen 2.996 N/A VAL 372.A N ASN 152.A OD1 no hydrogen 3.150 N/A LEU 373.A N ASN 152.A OD1 no hydrogen 3.298 N/A ARG 374.A N GLU 370.A O no hydrogen 2.962 N/A ARG 374.A NE GLU 370.A OE1 no hydrogen 2.661 N/A ARG 374.A NH1 ASN 301.A O no hydrogen 3.409 N/A ARG 374.A NH1 ARG 304.A O no hydrogen 3.043 N/A ARG 374.A NH2 GLU 370.A OE1 no hydrogen 2.986 N/A THR 375.A N MET 371.A O no hydrogen 3.193 N/A THR 375.A N VAL 372.A O no hydrogen 3.066 N/A THR 375.A OG1 MET 371.A O no hydrogen 2.633 N/A TRP 376.A N VAL 372.A O no hydrogen 3.315 N/A TRP 376.A NE1 TYR 408.A OH no hydrogen 2.928 N/A GLN 377.A N LEU 373.A O no hydrogen 3.212 N/A GLN 377.A NE2 PRO 560.A O no hydrogen 2.978 N/A THR 378.A N ARG 374.A O no hydrogen 3.084 N/A THR 378.A OG1 ARG 374.A O no hydrogen 2.689 N/A ALA 379.A N THR 375.A O no hydrogen 3.038 N/A ASP 380.A N TRP 376.A O no hydrogen 2.871 N/A LYS 381.A N GLN 377.A O no hydrogen 2.904 N/A LYS 381.A NZ ASP 347.A OD2 no hydrogen 2.670 N/A LYS 381.A NZ GLN 385.A OE1 no hydrogen 2.705 N/A LYS 381.A NZ GLU 554.A O no hydrogen 3.073 N/A MET 382.A N THR 378.A O no hydrogen 2.981 N/A LYS 383.A N ALA 379.A O no hydrogen 2.947 N/A LYS 383.A NZ ASP 26.A O.A no hydrogen 2.607 N/A LYS 383.A NZ ASP 26.A O.B no hydrogen 2.674 N/A LYS 383.A NZ ASP 397.A OD1 no hydrogen 3.259 N/A LYS 383.A NZ ASP 397.A OD2 no hydrogen 2.640 N/A LYS 384.A N ASP 380.A O no hydrogen 2.973 N/A LYS 384.A NZ ASP 380.A OD2 no hydrogen 2.826 N/A GLN 385.A N LYS 381.A O no hydrogen 2.808 N/A GLN 385.A NE2 GLU 554.A O no hydrogen 3.149 N/A ARG 386.A N MET 382.A O no hydrogen 2.615 N/A ARG 386.A NH1 ASP 351.A OD2 no hydrogen 2.522 N/A GLY 387.A N LYS 383.A O no hydrogen 2.721 N/A GLU 391.A N GLU 391.A OE1 no hydrogen 2.857 N/A GLU 392.A N LEU 389.A O no hydrogen 3.068 N/A ASN 394.A ND2 ASN 394.A O no hydrogen 2.659 N/A SER 396.A N LYS 393.A O no hydrogen 3.002 N/A SER 396.A OG LYS 393.A O no hydrogen 3.438 N/A SER 396.A OG ASN 398.A OD1 no hydrogen 3.263 N/A ASP 397.A N TRP 28.A O no hydrogen 2.686 N/A ASN 398.A N SER 396.A OG no hydrogen 3.402 N/A ASN 398.A ND2 GLU 30.A O no hydrogen 2.655 N/A ASN 398.A ND2 GLU 32.A OE2 no hydrogen 2.897 N/A PHE 399.A N GLU 392.A OE1 no hydrogen 2.747 N/A ARG 400.A N GLU 392.A OE2 no hydrogen 2.833 N/A ARG 400.A NE ASP 351.A OD1 no hydrogen 2.864 N/A ARG 400.A NH1 GLY 387.A O no hydrogen 3.151 N/A ARG 400.A NH2 ASP 351.A OD2 no hydrogen 3.006 N/A ARG 400.A NH2 GLY 387.A O no hydrogen 2.810 N/A ALA 401.A N ASP 397.A O no hydrogen 2.735 N/A LYS 402.A N ASN 398.A O no hydrogen 2.994 N/A LYS 402.A NZ GLU 32.A OE2 no hydrogen 2.811 N/A ARG 403.A N PHE 399.A O no hydrogen 3.082 N/A ARG 403.A NE TRP 528.A O no hydrogen 2.870 N/A ARG 403.A NH1 ASP 351.A O no hydrogen 2.689 N/A ARG 403.A NH2 TRP 528.A O no hydrogen 3.181 N/A TYR 404.A N ARG 400.A O no hydrogen 2.957 N/A TYR 404.A OH ASP 351.A OD1 no hydrogen 2.765 N/A VAL 405.A N ALA 401.A O no hydrogen 2.761 N/A SER 406.A N LYS 402.A O no hydrogen 2.960 N/A SER 406.A OG LYS 402.A O no hydrogen 2.718 N/A LYS 407.A N TYR 404.A O no hydrogen 2.842 N/A LYS 407.A NZ HIS 350.A ND1 no hydrogen 3.067 N/A LYS 407.A NZ HIS 350.A O no hydrogen 2.813 N/A LYS 407.A NZ ILE 355.A O no hydrogen 2.790 N/A LYS 407.A NZ ASN 529.A OD1 no hydrogen 2.696 N/A TYR 408.A N VAL 405.A O no hydrogen 3.400 N/A THR 409.A OG1 VAL 405.A O no hydrogen 2.820 N/A ASN 411.A N SER 406.A O no hydrogen 3.153 N/A ASN 411.A ND2 SER 356.A O no hydrogen 3.238 N/A ASN 411.A ND2 LYS 527.A O no hydrogen 2.905 N/A ILE 414.A N ILE 410.A O no hydrogen 2.907 N/A ALA 415.A N ASN 411.A O no hydrogen 2.888 N/A GLN 416.A N.A PRO 412.A O no hydrogen 3.039 N/A GLN 416.A N.A ALA 413.A O no hydrogen 3.316 N/A GLN 416.A N.B PRO 412.A O no hydrogen 3.048 N/A GLY 417.A N ILE 414.A O no hydrogen 3.216 N/A ILE 418.A N ALA 413.A O no hydrogen 2.858 N/A GLU 421.A N ILE 418.A O no hydrogen 2.856 N/A VAL 422.A N ILE 418.A O no hydrogen 3.148 N/A SER 424.A OG GLU 426.A OE2 no hydrogen 2.641 N/A ILE 425.A N ASP 78.A OD1 no hydrogen 3.007 N/A GLY 428.A N ILE 94.A O no hydrogen 2.831 N/A LYS 429.A N GLU 426.A O no hydrogen 3.199 N/A LYS 429.A NZ.A ALA 419.A O no hydrogen 2.818 N/A LYS 429.A NZ.A SER 424.A OG no hydrogen 2.885 N/A LYS 429.A NZ.A GLU 426.A OE2 no hydrogen 3.244 N/A LYS 429.A NZ.B VAL 422.A O no hydrogen 2.613 N/A PHE 430.A N GLU 421.A O no hydrogen 2.763 N/A ALA 431.A N GLY 92.A O no hydrogen 2.837 N/A ASP 432.A N PHE 430.A O no hydrogen 2.953 N/A LEU 433.A N ILE 449.A O no hydrogen 2.873 N/A VAL 434.A N THR 130.A O no hydrogen 2.799 N/A LEU 435.A N ARG 447.A O no hydrogen 2.897 N/A TRP 436.A N ILE 128.A O no hydrogen 2.788 N/A TRP 436.A NE1 THR 130.A OG1 no hydrogen 3.129 N/A PHE 440.A N GLU 437.A O no hydrogen 2.809 N/A PHE 441.A N PRO 438.A O no hydrogen 3.277 N/A VAL 443.A N PHE 440.A O no hydrogen 2.754 N/A LYS 444.A N PHE 440.A O no hydrogen 3.052 N/A ALA 445.A N ALA 151.A O no hydrogen 3.008 N/A ASP 446.A N LEU 435.A O no hydrogen 2.899 N/A ARG 447.A N LEU 435.A O no hydrogen 3.335 N/A ARG 447.A NE ASP 446.A OD2 no hydrogen 2.736 N/A ARG 447.A NH2 ASP 446.A OD2 no hydrogen 3.417 N/A VAL 448.A N TYR 456.A O no hydrogen 2.733 N/A ILE 449.A N LEU 433.A O no hydrogen 2.769 N/A LYS 450.A N ILE 453.A O no hydrogen 2.777 N/A LYS 450.A NZ ASN 193.A OD1 no hydrogen 2.789 N/A LYS 450.A NZ ASP 432.A OD1 no hydrogen 2.860 N/A LYS 450.A NZ ASP 432.A OD2 no hydrogen 3.389 N/A LYS 450.A NZ THR 488.A O no hydrogen 2.941 N/A LYS 450.A NZ ASN 489.A OD1 no hydrogen 3.217 N/A GLY 451.A N ASP 432.A OD1 no hydrogen 3.128 N/A GLY 452.A N ALA 431.A O no hydrogen 3.040 N/A ILE 453.A N LYS 450.A O no hydrogen 2.910 N/A ALA 455.A N VAL 448.A O no hydrogen 2.769 N/A TYR 456.A N VAL 448.A O no hydrogen 3.373 N/A ALA 457.A N ARG 475.A O no hydrogen 2.944 N/A GLN 458.A N ASP 446.A O no hydrogen 2.974 N/A ILE 459.A N MET 473.A O no hydrogen 2.850 N/A GLY 460.A N PRO 467.A O no hydrogen 2.722 N/A ASP 461.A N PRO 469.A O no hydrogen 2.914 N/A SER 463.A N ASP 461.A OD1 no hydrogen 2.912 N/A SER 463.A OG ASP 461.A OD1 no hydrogen 2.694 N/A SER 463.A OG ASP 461.A OD2 no hydrogen 3.319 N/A ALA 464.A N ASP 461.A O no hydrogen 3.145 N/A VAL 472.A N GLN 470.A OE1 no hydrogen 3.034 N/A MET 473.A N ILE 459.A O no hydrogen 3.114 N/A ARG 475.A N ALA 457.A O no hydrogen 2.896 N/A ARG 475.A NE ILE 459.A O no hydrogen 2.990 N/A ARG 475.A NH2 ILE 459.A O no hydrogen 3.336 N/A ARG 475.A NH2 PRO 471.A O no hydrogen 2.964 N/A ARG 476.A NE ASP 147.A OD1 no hydrogen 2.765 N/A ARG 476.A NE ASP 147.A OD2 no hydrogen 3.287 N/A ARG 476.A NH2 ASP 147.A OD1 no hydrogen 2.992 N/A MET 477.A N ALA 455.A O no hydrogen 2.789 N/A GLY 479.A N ILE 454.A O no hydrogen 3.082 N/A THR 480.A N MET 477.A O no hydrogen 2.931 N/A THR 480.A OG1 MET 477.A O no hydrogen 2.868 N/A VAL 481.A N TYR 478.A O no hydrogen 2.973 N/A LEU 484.A N VAL 481.A O no hydrogen 3.188 N/A HIS 486.A N ASP 483.A O no hydrogen 2.949 N/A ASP 487.A N LEU 484.A O no hydrogen 3.096 N/A THR 488.A N LEU 484.A O no hydrogen 3.148 N/A THR 488.A OG1 GLY 479.A O no hydrogen 2.861 N/A THR 488.A OG1 LEU 484.A O no hydrogen 2.891 N/A ASN 489.A ND2 ILE 485.A O no hydrogen 3.003 N/A ILE 490.A N ASN 193.A OD1 no hydrogen 2.870 N/A THR 491.A N ARG 511.A O no hydrogen 2.779 N/A PHE 492.A N VAL 194.A O no hydrogen 2.973 N/A MET 493.A N GLY 513.A O no hydrogen 2.845 N/A SER 494.A N ALA 216.A O no hydrogen 3.303 N/A SER 494.A OG ILE 212.A O no hydrogen 2.724 N/A SER 494.A OG ALA 216.A O no hydrogen 3.438 N/A SER 494.A OG SER 497.A OG no hydrogen 2.917 N/A LYS 495.A NZ ASP 242.A OD2 no hydrogen 2.528 N/A SER 496.A OG ASP 213.A OD1 no hydrogen 2.864 N/A SER 497.A N SER 494.A OG no hydrogen 3.127 N/A SER 497.A OG SER 494.A O no hydrogen 2.765 N/A SER 497.A OG SER 494.A OG no hydrogen 2.917 N/A ILE 498.A N SER 494.A O no hydrogen 3.093 N/A GLN 499.A N LYS 495.A O no hydrogen 2.810 N/A GLN 500.A N SER 496.A O no hydrogen 2.934 N/A GLY 501.A N ILE 498.A O no hydrogen 2.912 N/A VAL 502.A N SER 497.A O no hydrogen 2.943 N/A LYS 505.A N GLY 501.A O no hydrogen 2.856 N/A LYS 505.A NZ.A GLU 181.A OE2 no hydrogen 3.330 N/A LYS 505.A NZ.B GLU 181.A OE2 no hydrogen 3.351 N/A LEU 506.A N VAL 502.A O no hydrogen 2.886 N/A LEU 506.A N PRO 503.A O no hydrogen 3.146 N/A GLY 507.A N ALA 504.A O no hydrogen 3.132 N/A LEU 508.A N PRO 503.A O no hydrogen 2.957 N/A LYS 509.A N GLU 188.A OE1 no hydrogen 2.755 N/A ARG 510.A N GLU 188.A OE2 no hydrogen 3.328 N/A ARG 510.A NE THR 491.A OG1 no hydrogen 2.713 N/A ARG 510.A NH1 LEU 190.A O no hydrogen 2.731 N/A ARG 510.A NH1 ILE 192.A O no hydrogen 3.237 N/A ARG 510.A NH2 ILE 192.A O no hydrogen 2.839 N/A ARG 510.A NH2 ILE 490.A O no hydrogen 2.901 N/A ARG 511.A N HIS 486.A O no hydrogen 3.122 N/A ARG 511.A NE.B ASP 487.A O no hydrogen 2.769 N/A ARG 511.A NH2.B ASP 91.A O no hydrogen 3.402 N/A GLY 513.A N THR 491.A O no hydrogen 2.891 N/A VAL 515.A N MET 493.A O no hydrogen 2.944 N/A LYS 516.A N GLY 417.A O no hydrogen 2.902 N/A ASN 517.A N ASP 242.A OD2 no hydrogen 2.729 N/A CYS 518.A N ASP 242.A OD1 no hydrogen 3.031 N/A CYS 518.A SG ASP 242.A O no hydrogen 3.583 N/A CYS 518.A SG GLN 416.A O.A no hydrogen 3.689 N/A ARG 519.A NE ASP 239.A OD1 no hydrogen 2.850 N/A ARG 519.A NH1 VAL 243.A O no hydrogen 3.438 N/A ARG 519.A NH1 VAL 269.A O no hydrogen 3.077 N/A ARG 519.A NH2 ASP 239.A OD1 no hydrogen 3.185 N/A ARG 519.A NH2 VAL 269.A O no hydrogen 2.706 N/A ASN 520.A ND2.B ASN 517.A OD1 no hydrogen 3.281 N/A GLY 522.A N ASP 525.A OD2 no hydrogen 2.634 N/A LYS 523.A N PRO 293.A O no hydrogen 2.901 N/A LYS 523.A NZ ILE 354.A O no hydrogen 2.658 N/A LYS 523.A NZ VAL 531.A O no hydrogen 2.818 N/A ASP 525.A N GLY 522.A O no hydrogen 2.806 N/A MET 526.A N LYS 523.A O no hydrogen 2.925 N/A TRP 528.A NE1 TYR 79.A O no hydrogen 2.965 N/A ASN 529.A N MET 526.A O no hydrogen 2.963 N/A ASN 529.A ND2 ARG 403.A O no hydrogen 2.883 N/A ASN 529.A ND2 LYS 527.A O no hydrogen 2.974 N/A VAL 531.A N GLY 353.A O no hydrogen 3.329 N/A THR 533.A N GLY 291.A O no hydrogen 3.295 N/A ASP 536.A N LYS 545.A O no hydrogen 2.804 N/A ASN 538.A N GLU 543.A O.A no hydrogen 2.994 N/A ASN 538.A N GLU 543.A O.B no hydrogen 2.830 N/A GLU 540.A N ASN 538.A OD1 no hydrogen 2.869 N/A THR 541.A N ASN 538.A OD1 no hydrogen 3.108 N/A THR 541.A OG1 GLU 543.A OE1.B no hydrogen 2.391 N/A TYR 542.A N ASN 538.A O no hydrogen 2.785 N/A GLU 543.A N.A THR 541.A OG1 no hydrogen 3.391 N/A GLU 543.A N.B THR 541.A OG1 no hydrogen 3.365 N/A LYS 545.A N ASP 536.A O no hydrogen 2.794 N/A VAL 546.A N GLU 549.A O no hydrogen 3.106 N/A GLU 549.A N VAL 546.A O no hydrogen 3.217 N/A LEU 551.A N VAL 544.A O no hydrogen 2.639 N/A CYS 553.A SG ALA 344.A O no hydrogen 3.352 N/A CYS 553.A SG GLN 385.A OE1 no hydrogen 3.775 N/A CYS 553.A SG GLU 554.A O no hydrogen 4.023 N/A VAL 556.A N PHE 306.A O no hydrogen 3.242 N/A MET 561.A N ASP 24.A OD1 no hydrogen 2.652 N/A MET 561.A N ASP 24.A OD2 no hydrogen 3.485 N/A ARG 564.A NE ASP 24.A OD2 no hydrogen 2.869 N/A ARG 564.A NH2 ASP 24.A OD2 no hydrogen 3.106 N/A TYR 565.A N ALA 562.A O no hydrogen 2.882 N/A TYR 565.A OH LYS 439.A O no hydrogen 2.730 N/A PHE 566.A N ALA 562.A O no hydrogen 3.334 N/A