Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ctz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLN 83.A O no hydrogen 3.067 N/A LYS 2.A NZ PHE 50.A O no hydrogen 2.738 N/A THR 4.A N ASP 85.A OD1 no hydrogen 2.942 N/A THR 4.A OG1 ASP 85.A OD1 no hydrogen 3.406 N/A THR 4.A OG1 ASP 85.A OD2 no hydrogen 3.320 N/A SER 5.A OG ASN 87.A OD1 no hydrogen 2.851 N/A LEU 8.A N THR 4.A O no hydrogen 2.884 N/A ARG 9.A N SER 5.A O no hydrogen 3.104 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 2.964 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.430 N/A ARG 9.A NH1 GLN 13.A OE1 no hydrogen 3.359 N/A ARG 9.A NH2 GLU 6.A OE2 no hydrogen 2.872 N/A GLN 10.A N GLU 6.A O no hydrogen 2.967 N/A GLN 10.A NE2 GLU 6.A OE2 no hydrogen 2.801 N/A LEU 11.A N LEU 7.A O no hydrogen 2.848 N/A ARG 12.A N LEU 8.A O no hydrogen 2.847 N/A ARG 12.A NE THR 64.A O no hydrogen 2.809 N/A ARG 12.A NH2 THR 64.A O no hydrogen 3.095 N/A ARG 12.A NH2 HIS 67.A O no hydrogen 2.922 N/A GLN 13.A N ARG 9.A O no hydrogen 3.075 N/A ALA 14.A N GLN 10.A O no hydrogen 2.911 N/A MET 15.A N LEU 11.A O no hydrogen 2.944 N/A ARG 16.A N GLN 13.A O no hydrogen 2.979 N/A ASN 17.A N ALA 14.A O no hydrogen 3.190 N/A TYR 20.A N ASN 17.A O no hydrogen 2.935 N/A VAL 21.A N ASN 17.A O no hydrogen 3.049 N/A ILE 25.A N MET 15.A O no hydrogen 2.986 N/A GLN 26.A N ARG 114.A O no hydrogen 2.750 N/A TYR 28.A N ILE 63.A O no hydrogen 2.806 N/A ILE 29.A N GLY 116.A O no hydrogen 2.895 N/A ILE 30.A N ALA 61.A O no hydrogen 2.738 N/A SER 32.A OG GLY 59.A O no hydrogen 2.614 N/A HIS 36.A N ASP 34.A OD1 no hydrogen 2.947 N/A HIS 36.A ND1 THR 198.A O no hydrogen 2.844 N/A HIS 36.A NE2 TYR 266.A OH no hydrogen 2.566 N/A GLN 37.A N ASP 34.A O no hydrogen 3.450 N/A GLN 37.A NE2 ALA 35.A O no hydrogen 3.360 N/A SER 38.A N ASP 34.A OD1 no hydrogen 2.866 N/A SER 38.A OG ASP 34.A OD1 no hydrogen 3.213 N/A SER 38.A OG ASP 34.A OD2 no hydrogen 2.605 N/A CYS 44.A SG ASP 45.A OD1 no hydrogen 3.656 N/A ASP 45.A N ALA 42.A O no hydrogen 2.824 N/A CYS 46.A N PRO 43.A O no hydrogen 3.099 N/A CYS 46.A SG ILE 41.A O no hydrogen 3.910 N/A CYS 46.A SG ALA 42.A O no hydrogen 3.522 N/A ARG 47.A NE ASP 150.A OD1 no hydrogen 2.857 N/A ARG 47.A NH2 ASP 150.A OD2 no hydrogen 2.793 N/A ARG 48.A NE SER 32.A OG no hydrogen 3.237 N/A ARG 48.A NE GLY 59.A O no hydrogen 3.095 N/A ARG 48.A NH1 PHE 54.A O no hydrogen 2.881 N/A ARG 48.A NH1 GLY 56.A O no hydrogen 2.836 N/A ARG 48.A NH2 SER 32.A OG no hydrogen 2.705 N/A ARG 48.A NH2 GLY 56.A O no hydrogen 2.848 N/A PHE 50.A N CYS 46.A O no hydrogen 3.050 N/A VAL 51.A N ARG 47.A O no hydrogen 3.050 N/A SER 52.A OG ARG 48.A O no hydrogen 2.774 N/A GLY 53.A N ALA 49.A O no hydrogen 2.847 N/A PHE 54.A N SER 52.A OG no hydrogen 3.021 N/A ASP 55.A N GLN 83.A OE1 no hydrogen 3.049 N/A SER 57.A N TYR 76.A OH no hydrogen 3.094 N/A SER 57.A OG TYR 76.A OH no hydrogen 2.539 N/A THR 60.A N TRP 71.A O no hydrogen 2.865 N/A ALA 61.A N ILE 30.A O no hydrogen 2.943 N/A ILE 62.A N ALA 69.A O no hydrogen 2.814 N/A ILE 63.A N TYR 28.A O no hydrogen 2.928 N/A THR 64.A N HIS 67.A O no hydrogen 2.866 N/A THR 64.A OG1 HIS 67.A O no hydrogen 3.537 N/A GLU 66.A N THR 64.A OG1 no hydrogen 3.297 N/A HIS 67.A N THR 64.A OG1 no hydrogen 2.961 N/A ALA 69.A N ILE 62.A O no hydrogen 2.869 N/A MET 70.A N THR 89.A O no hydrogen 2.911 N/A TRP 71.A N THR 60.A O no hydrogen 2.852 N/A TRP 71.A NE1 PRO 99.A O no hydrogen 2.943 N/A THR 72.A N MET 91.A O no hydrogen 3.287 N/A THR 72.A OG1 ALA 58.A O no hydrogen 2.748 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.038 N/A ARG 75.A NE ASP 73.A OD1 no hydrogen 2.909 N/A ARG 75.A NH2 ASP 73.A OD2 no hydrogen 2.781 N/A TYR 76.A N ASP 73.A O no hydrogen 2.899 N/A TYR 76.A OH SER 57.A OG no hydrogen 2.539 N/A ALA 80.A N TYR 76.A O no hydrogen 2.844 N/A ALA 81.A N PHE 77.A O no hydrogen 3.297 N/A LYS 82.A N LEU 78.A O no hydrogen 3.147 N/A GLN 83.A N GLN 79.A O no hydrogen 2.960 N/A GLN 83.A NE2 ASP 55.A OD1 no hydrogen 2.886 N/A MET 84.A N ALA 80.A O no hydrogen 2.953 N/A ASN 87.A N ASP 85.A OD2 no hydrogen 2.992 N/A TRP 88.A N ASP 85.A O no hydrogen 3.175 N/A TRP 88.A NE1 THR 4.A OG1 no hydrogen 2.928 N/A THR 89.A N ALA 68.A O no hydrogen 2.805 N/A MET 91.A N MET 70.A O no hydrogen 2.714 N/A MET 93.A N THR 72.A O no hydrogen 2.981 N/A LEU 95.A N LYS 92.A O no hydrogen 3.394 N/A THR 98.A OG1 LYS 92.A O no hydrogen 2.636 N/A THR 100.A OG1 ASP 103.A OD2 no hydrogen 3.191 N/A GLU 102.A N GLU 102.A OE2 no hydrogen 2.735 N/A ASP 103.A N THR 100.A OG1 no hydrogen 3.228 N/A TRP 104.A N THR 100.A O no hydrogen 2.943 N/A LEU 105.A N GLN 101.A O no hydrogen 3.010 N/A VAL 106.A N GLU 102.A O no hydrogen 3.165 N/A SER 107.A N ASP 103.A O no hydrogen 3.181 N/A SER 107.A OG TRP 104.A O no hydrogen 2.679 N/A VAL 108.A N TRP 104.A O no hydrogen 3.109 N/A VAL 108.A N LEU 105.A O no hydrogen 3.121 N/A LEU 109.A N LEU 105.A O no hydrogen 2.897 N/A SER 113.A OG PRO 110.A O no hydrogen 2.807 N/A ARG 114.A N GLN 26.A OE1 no hydrogen 2.803 N/A VAL 115.A N HIS 140.A O no hydrogen 2.828 N/A GLY 116.A N ALA 27.A O no hydrogen 2.916 N/A VAL 117.A N ILE 142.A O no hydrogen 3.216 N/A LEU 120.A N ASP 118.A OD1 no hydrogen 2.964 N/A ILE 121.A N ASP 118.A O no hydrogen 3.379 N/A TYR 126.A OH GLN 101.A OE1 no hydrogen 2.628 N/A TRP 127.A N PRO 123.A O no hydrogen 3.081 N/A LYS 128.A N THR 124.A O no hydrogen 2.739 N/A LYS 129.A N ASP 125.A O no hydrogen 3.254 N/A MET 130.A N.A TYR 126.A O no hydrogen 3.098 N/A MET 130.A N.B TYR 126.A O no hydrogen 3.103 N/A ALA 131.A N TRP 127.A O no hydrogen 2.763 N/A LYS 132.A N LYS 128.A O no hydrogen 3.016 N/A LEU 134.A N MET 130.A O.A no hydrogen 3.126 N/A LEU 134.A N MET 130.A O.B no hydrogen 3.114 N/A ARG 135.A N ALA 131.A O no hydrogen 2.867 N/A SER 136.A N LYS 132.A O no hydrogen 3.047 N/A SER 136.A OG LYS 132.A O no hydrogen 3.166 N/A ALA 137.A N VAL 133.A O no hydrogen 3.354 N/A ALA 137.A N LEU 134.A O no hydrogen 3.165 N/A GLY 138.A N ARG 135.A O no hydrogen 3.023 N/A HIS 139.A N LEU 134.A O no hydrogen 2.746 N/A HIS 139.A NE2 PRO 110.A O no hydrogen 3.145 N/A HIS 140.A N SER 113.A O no hydrogen 2.932 N/A ILE 142.A N VAL 115.A O no hydrogen 2.750 N/A VAL 144.A N VAL 117.A O no hydrogen 2.943 N/A ASN 147.A ND2 ASP 118.A OD2 no hydrogen 2.955 N/A LEU 148.A N TYR 28.A OH no hydrogen 3.134 N/A ASP 150.A N ASN 147.A OD1 no hydrogen 2.998 N/A LYS 151.A N LEU 148.A O no hydrogen 3.231 N/A ILE 152.A N VAL 149.A O no hydrogen 3.088 N/A TRP 153.A N ASP 150.A O no hydrogen 3.306 N/A THR 154.A N ILE 152.A O no hydrogen 3.196 N/A ARG 156.A N TRP 153.A O no hydrogen 3.191 N/A ARG 156.A NE CYS 44.A O no hydrogen 2.753 N/A ARG 156.A NH2 CYS 44.A O no hydrogen 3.081 N/A ARG 156.A NH2 ASP 45.A OD1 no hydrogen 3.141 N/A ARG 159.A NH1 ASP 45.A OD2 no hydrogen 2.879 N/A ARG 159.A NH2 ASP 45.A OD1 no hydrogen 2.937 N/A ARG 159.A NH2 ASP 45.A OD2 no hydrogen 3.490 N/A CYS 161.A SG ASP 236.A O no hydrogen 3.477 N/A LYS 162.A N ASP 213.A OD1 no hydrogen 2.801 N/A LEU 165.A N ARG 210.A O no hydrogen 2.832 N/A LEU 167.A N ASN 208.A O no hydrogen 3.073 N/A TYR 171.A N GLY 168.A O no hydrogen 2.927 N/A THR 172.A N GLY 168.A O no hydrogen 3.072 N/A THR 172.A OG1 GLY 168.A O no hydrogen 3.415 N/A THR 172.A OG1 ILE 174.A O no hydrogen 3.132 N/A GLY 173.A N LEU 169.A O no hydrogen 2.835 N/A TRP 176.A NE1 HIS 248.A O no hydrogen 2.843 N/A LYS 177.A NZ GLU 256.A OE2 no hydrogen 2.845 N/A ASP 178.A N SER 175.A OG no hydrogen 3.052 N/A LYS 179.A N SER 175.A O no hydrogen 2.982 N/A LYS 179.A NZ TRP 205.A O no hydrogen 2.812 N/A LYS 179.A NZ ASN 208.A OD1 no hydrogen 2.723 N/A VAL 180.A N TRP 176.A O no hydrogen 2.850 N/A ALA 181.A N LYS 177.A O no hydrogen 2.908 N/A ASP 182.A N ASP 178.A O no hydrogen 2.915 N/A LEU 183.A N LYS 179.A O no hydrogen 2.946 N/A ARG 184.A N VAL 180.A O no hydrogen 2.888 N/A ARG 184.A NE GLY 227.A O no hydrogen 2.808 N/A ARG 184.A NH1 GLU 258.A O no hydrogen 2.959 N/A ARG 184.A NH2 GLY 227.A O no hydrogen 3.282 N/A ARG 184.A NH2 THR 230.A O no hydrogen 3.126 N/A ARG 184.A NH2 GLU 258.A O no hydrogen 2.778 N/A LEU 185.A N ALA 181.A O no hydrogen 3.020 N/A LYS 186.A N ASP 182.A O no hydrogen 3.263 N/A MET 187.A N LEU 183.A O no hydrogen 2.965 N/A ALA 188.A N ARG 184.A O no hydrogen 2.889 N/A GLU 189.A N LEU 185.A O no hydrogen 3.174 N/A ARG 190.A N MET 187.A O no hydrogen 3.033 N/A ASN 191.A N ALA 188.A O no hydrogen 3.194 N/A VAL 192.A N MET 187.A O no hydrogen 3.004 N/A MET 193.A N LYS 285.A O no hydrogen 2.837 N/A PHE 195.A N ILE 226.A O no hydrogen 2.841 N/A VAL 196.A N TRP 287.A O no hydrogen 2.940 N/A VAL 197.A N ALA 224.A O no hydrogen 2.791 N/A ILE 203.A N ALA 199.A O no hydrogen 3.200 N/A ALA 204.A N LEU 200.A O no hydrogen 3.038 N/A TRP 205.A N ASP 201.A O no hydrogen 2.959 N/A LEU 206.A N GLU 202.A O no hydrogen 2.881 N/A PHE 207.A N ILE 203.A O no hydrogen 3.102 N/A ASN 208.A N TRP 205.A O no hydrogen 3.309 N/A ASN 208.A ND2 ILE 174.A O no hydrogen 2.980 N/A LEU 209.A N ALA 204.A O no hydrogen 3.035 N/A ARG 210.A N LEU 165.A O no hydrogen 2.832 N/A ARG 210.A NE PHE 492.A O no hydrogen 2.691 N/A ARG 210.A NH1 LEU 209.A O no hydrogen 3.024 N/A ARG 210.A NH2 SER 491.A O no hydrogen 2.983 N/A GLY 211.A N PRO 218.A O no hydrogen 2.949 N/A ASP 213.A N VAL 219.A O no hydrogen 2.949 N/A HIS 216.A ND1 LEU 377.A O no hydrogen 3.316 N/A ASN 217.A N GLU 215.A O no hydrogen 2.743 N/A ASN 217.A ND2 GLU 39.A OE1 no hydrogen 3.132 N/A VAL 219.A N ASN 217.A O no hydrogen 2.839 N/A PHE 221.A N ASP 213.A OD2 no hydrogen 2.878 N/A SER 222.A OG PHE 220.A O no hydrogen 2.999 N/A TYR 223.A N PHE 234.A O no hydrogen 3.026 N/A ALA 224.A N VAL 197.A O no hydrogen 3.143 N/A ILE 225.A N MET 232.A O.A no hydrogen 2.832 N/A ILE 225.A N MET 232.A O.B no hydrogen 2.966 N/A ILE 226.A N PHE 195.A O no hydrogen 2.840 N/A GLY 227.A N THR 230.A O no hydrogen 2.898 N/A MET 232.A N.A ILE 225.A O no hydrogen 2.850 N/A MET 232.A N.B ILE 225.A O no hydrogen 2.834 N/A LEU 233.A N GLN 262.A O no hydrogen 2.830 N/A PHE 234.A N TYR 223.A O no hydrogen 2.846 N/A ILE 235.A N HIS 264.A O no hydrogen 2.913 N/A ARG 239.A NE ASP 236.A O no hydrogen 2.908 N/A ARG 239.A NH1 LYS 162.A O no hydrogen 2.890 N/A ARG 239.A NH1 ASP 213.A OD1 no hydrogen 3.108 N/A ARG 239.A NH1 ASP 213.A OD2 no hydrogen 2.861 N/A ARG 239.A NH2 ASP 213.A OD2 no hydrogen 3.406 N/A ARG 239.A NH2 ASP 236.A O no hydrogen 3.397 N/A ILE 240.A N GLY 237.A O no hydrogen 3.292 N/A ASP 241.A N ASP 238.A O no hydrogen 2.790 N/A ALA 242.A N ARG 239.A O no hydrogen 3.227 N/A VAL 245.A N ALA 242.A O no hydrogen 2.954 N/A LYS 246.A N ALA 242.A O no hydrogen 2.905 N/A GLU 247.A N PRO 243.A O no hydrogen 2.941 N/A HIS 248.A N SER 244.A O no hydrogen 3.002 N/A HIS 248.A NE2 PHE 207.A O no hydrogen 2.810 N/A LEU 249.A N VAL 245.A O no hydrogen 2.950 N/A LEU 250.A N GLU 247.A O no hydrogen 3.193 N/A LEU 251.A N LYS 246.A O no hydrogen 2.899 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.935 N/A TYR 259.A N GLU 256.A O no hydrogen 3.218 N/A ARG 260.A N ALA 257.A O no hydrogen 3.213 N/A GLN 262.A N ILE 231.A O no hydrogen 2.848 N/A HIS 264.A N LEU 233.A O no hydrogen 2.855 N/A HIS 264.A NE2 GLN 262.A OE1 no hydrogen 2.834 N/A TYR 266.A N ASP 236.A OD1 no hydrogen 2.917 N/A TYR 266.A OH HIS 36.A NE2 no hydrogen 2.566 N/A SER 268.A N.A PRO 265.A O no hydrogen 2.989 N/A SER 268.A N.B PRO 265.A O no hydrogen 3.001 N/A SER 268.A OG.B PRO 265.A O no hydrogen 2.892 N/A SER 271.A OG SER 268.A O.A no hydrogen 3.076 N/A SER 271.A OG SER 268.A O.B no hydrogen 3.517 N/A GLU 272.A N SER 268.A O.A no hydrogen 2.924 N/A GLU 272.A N SER 268.A O.B no hydrogen 3.078 N/A LEU 273.A N ILE 269.A O no hydrogen 2.934 N/A LYS 274.A N LEU 270.A O no hydrogen 2.805 N/A ALA 275.A N SER 271.A O no hydrogen 3.048 N/A LEU 276.A N GLU 272.A O no hydrogen 3.045 N/A CYS 277.A N LEU 273.A O no hydrogen 2.950 N/A CYS 277.A SG LEU 273.A O no hydrogen 3.352 N/A CYS 277.A SG THR 299.A O no hydrogen 4.039 N/A ALA 278.A N LYS 274.A O no hydrogen 2.893 N/A ASP 279.A N LEU 276.A O no hydrogen 3.065 N/A LEU 280.A N CYS 277.A O no hydrogen 3.202 N/A SER 281.A N GLU 284.A OE1 no hydrogen 2.987 N/A GLU 284.A N SER 281.A O no hydrogen 2.980 N/A LYS 285.A N ASN 191.A O no hydrogen 3.328 N/A LYS 285.A NZ ASP 303.A O no hydrogen 3.320 N/A VAL 286.A N HIS 304.A O no hydrogen 2.842 N/A TRP 287.A N TRP 194.A O no hydrogen 2.791 N/A VAL 288.A N CYS 306.A O no hydrogen 3.230 N/A ASP 290.A N MET 308.A O no hydrogen 2.865 N/A LYS 291.A N SER 289.A OG no hydrogen 2.967 N/A ALA 292.A N SER 289.A O no hydrogen 3.112 N/A TYR 294.A N ILE 122.A O no hydrogen 2.742 N/A ALA 295.A N PRO 119.A O no hydrogen 3.004 N/A VAL 296.A N SER 293.A OG no hydrogen 3.152 N/A SER 297.A N.A SER 293.A O no hydrogen 2.957 N/A SER 297.A N.B SER 293.A O no hydrogen 2.948 N/A SER 297.A OG.A THR 124.A OG1 no hydrogen 2.961 N/A SER 297.A OG.A SER 293.A O no hydrogen 3.232 N/A SER 297.A OG.A TYR 294.A O no hydrogen 3.118 N/A SER 297.A OG.B SER 293.A O no hydrogen 2.937 N/A GLU 298.A N TYR 294.A O no hydrogen 2.750 N/A THR 299.A N VAL 296.A O no hydrogen 3.248 N/A THR 299.A OG1 ALA 295.A O no hydrogen 2.732 N/A ILE 300.A N SER 297.A O.A no hydrogen 3.090 N/A ILE 300.A N SER 297.A O.B no hydrogen 3.075 N/A HIS 304.A N PRO 301.A O no hydrogen 2.813 N/A ARG 305.A N LYS 302.A O no hydrogen 3.269 N/A ARG 305.A NE SER 297.A O.A no hydrogen 2.832 N/A ARG 305.A NE SER 297.A O.B no hydrogen 2.865 N/A ARG 305.A NE ILE 300.A O no hydrogen 3.034 N/A ARG 305.A NH2 ILE 300.A O no hydrogen 2.894 N/A CYS 306.A N VAL 286.A O no hydrogen 2.908 N/A MET 308.A N VAL 288.A O no hydrogen 3.062 N/A TYR 310.A OH SER 508.A O no hydrogen 2.638 N/A THR 311.A OG1 GLU 202.A OE1 no hydrogen 2.746 N/A ILE 313.A N THR 311.A OG1 no hydrogen 3.255 N/A CYS 314.A N THR 311.A OG1 no hydrogen 3.185 N/A ILE 315.A N THR 311.A O no hydrogen 3.219 N/A ALA 316.A N PRO 312.A O no hydrogen 3.048 N/A LYS 317.A N ILE 313.A O no hydrogen 2.869 N/A LYS 317.A NZ ASP 201.A OD2 no hydrogen 2.996 N/A LYS 317.A NZ GLU 497.A OE1 no hydrogen 2.955 N/A ALA 318.A N CYS 314.A O no hydrogen 3.259 N/A VAL 319.A N ALA 316.A O no hydrogen 3.292 N/A LYS 320.A N GLY 515.A O no hydrogen 2.914 N/A LYS 320.A NZ LYS 317.A O no hydrogen 3.147 N/A LYS 320.A NZ VAL 489.A O no hydrogen 3.060 N/A LYS 320.A NZ GLU 497.A OE2 no hydrogen 2.642 N/A ASN 321.A N GLU 324.A OE1 no hydrogen 2.964 N/A ASN 321.A ND2 THR 172.A O no hydrogen 2.826 N/A GLU 324.A N ASN 321.A OD1 no hydrogen 2.930 N/A SER 325.A N ASN 321.A O no hydrogen 2.823 N/A SER 325.A OG ASN 321.A O no hydrogen 3.234 N/A SER 325.A OG SER 322.A O.A no hydrogen 3.557 N/A SER 325.A OG SER 322.A O.B no hydrogen 3.290 N/A GLU 326.A N SER 322.A O.A no hydrogen 2.997 N/A GLU 326.A N SER 322.A O.B no hydrogen 2.825 N/A GLY 327.A N ALA 323.A O no hydrogen 3.028 N/A MET 328.A N GLU 324.A O no hydrogen 2.924 N/A ARG 329.A N SER 325.A O no hydrogen 2.930 N/A ARG 329.A NH1 GLU 558.A OE2 no hydrogen 2.880 N/A ARG 329.A NH2 GLU 558.A OE1 no hydrogen 2.774 N/A ARG 329.A NH2 GLU 558.A OE2 no hydrogen 3.364 N/A ARG 330.A N GLU 326.A O no hydrogen 3.037 N/A ARG 330.A NE ASP 420.A OD1 no hydrogen 2.863 N/A ARG 330.A NH2 ASP 420.A OD1 no hydrogen 3.068 N/A ALA 331.A N GLY 327.A O no hydrogen 2.859 N/A HIS 332.A N MET 328.A O no hydrogen 2.985 N/A HIS 332.A ND1 MET 328.A O no hydrogen 2.792 N/A ILE 333.A N ARG 329.A O no hydrogen 2.914 N/A LYS 334.A N ARG 330.A O no hydrogen 3.039 N/A LYS 334.A NZ ALA 372.A O no hydrogen 2.826 N/A LYS 334.A NZ ASP 420.A OD2 no hydrogen 2.523 N/A ASP 335.A N ALA 331.A O no hydrogen 2.926 N/A ALA 336.A N HIS 332.A O no hydrogen 2.915 N/A VAL 337.A N ILE 333.A O no hydrogen 3.025 N/A ALA 338.A N LYS 334.A O no hydrogen 3.121 N/A LEU 339.A N ASP 335.A O no hydrogen 2.967 N/A CYS 340.A N ALA 336.A O no hydrogen 2.807 N/A CYS 340.A SG ALA 336.A O no hydrogen 3.331 N/A GLU 341.A N VAL 337.A O no hydrogen 3.098 N/A LEU 342.A N ALA 338.A O no hydrogen 2.888 N/A PHE 343.A N LEU 339.A O no hydrogen 2.771 N/A ASN 344.A N CYS 340.A O no hydrogen 3.045 N/A ASN 344.A ND2 GLU 605.A OE2 no hydrogen 2.904 N/A TRP 345.A N GLU 341.A O no hydrogen 2.999 N/A LEU 346.A N LEU 342.A O no hydrogen 2.809 N/A GLU 347.A N PHE 343.A O no hydrogen 2.982 N/A LYS 348.A N ASN 344.A O no hydrogen 3.097 N/A LYS 348.A NZ GLU 605.A OE1 no hydrogen 3.535 N/A LYS 348.A NZ GLU 605.A OE2 no hydrogen 2.638 N/A GLU 349.A N TRP 345.A O no hydrogen 2.839 N/A VAL 350.A N LEU 346.A O no hydrogen 2.839 N/A LYS 352.A N GLU 349.A O no hydrogen 3.014 N/A LYS 352.A NZ GLU 349.A OE2 no hydrogen 3.077 N/A GLY 353.A N VAL 350.A O no hydrogen 2.984 N/A THR 356.A N SER 359.A OG no hydrogen 2.945 N/A GLU 357.A N ARG 402.A O no hydrogen 2.863 N/A ILE 358.A N ASN 401.A OD1 no hydrogen 2.951 N/A SER 359.A N THR 356.A OG1 no hydrogen 3.035 N/A SER 359.A OG THR 356.A O no hydrogen 3.410 N/A ALA 360.A N THR 356.A O no hydrogen 2.941 N/A ALA 361.A N GLU 357.A O no hydrogen 3.133 N/A ASP 362.A N ILE 358.A O no hydrogen 2.794 N/A LYS 363.A N SER 359.A O no hydrogen 2.932 N/A LYS 363.A NZ GLU 366.A OE1 no hydrogen 3.254 N/A LYS 363.A NZ GLU 366.A OE2 no hydrogen 3.139 N/A ALA 364.A N ALA 360.A O no hydrogen 2.965 N/A GLU 365.A N ALA 361.A O no hydrogen 3.181 N/A GLU 366.A N ASP 362.A O no hydrogen 2.927 N/A PHE 367.A N LYS 363.A O no hydrogen 2.989 N/A ARG 368.A N ALA 364.A O no hydrogen 2.983 N/A ARG 368.A NE ASP 335.A OD1 no hydrogen 2.709 N/A ARG 368.A NH1 ASP 335.A OD2 no hydrogen 2.980 N/A ARG 368.A NH1 SER 414.A OG no hydrogen 3.021 N/A ARG 368.A NH2 SER 414.A OG no hydrogen 2.833 N/A ARG 369.A N GLU 365.A O no hydrogen 2.892 N/A ARG 369.A NE GLU 365.A OE2 no hydrogen 2.917 N/A ARG 369.A NH2 GLU 365.A OE2 no hydrogen 2.850 N/A GLN 370.A N PHE 367.A O no hydrogen 3.208 N/A GLN 371.A N ARG 368.A O no hydrogen 2.954 N/A GLN 371.A NE2 GLN 601.A OE1 no hydrogen 3.030 N/A PHE 374.A N GLN 371.A O no hydrogen 3.273 N/A VAL 375.A N GLN 417.A O no hydrogen 2.787 N/A ASP 376.A N GLN 417.A O no hydrogen 3.278 N/A LEU 377.A N ASP 376.A OD1 no hydrogen 2.708 N/A SER 378.A N GLY 415.A O no hydrogen 2.941 N/A SER 378.A OG THR 423.A O no hydrogen 2.893 N/A ILE 382.A N ASP 413.A O no hydrogen 2.818 N/A SER 383.A OG GLU 357.A O no hydrogen 2.702 N/A SER 383.A OG TYR 410.A OH no hydrogen 2.747 N/A SER 384.A N LEU 411.A O no hydrogen 2.918 N/A THR 385.A N GLU 357.A OE2 no hydrogen 2.916 N/A THR 385.A OG1 GLU 408.A OE1 no hydrogen 2.764 N/A GLY 386.A N VAL 409.A O no hydrogen 2.903 N/A THR 388.A OG1.A GLU 357.A OE2 no hydrogen 3.032 N/A THR 388.A OG1.A THR 385.A O no hydrogen 3.419 N/A THR 388.A OG1.B GLU 357.A OE2 no hydrogen 2.559 N/A THR 388.A OG1.B THR 385.A O no hydrogen 3.073 N/A GLY 389.A N GLY 386.A O no hydrogen 2.884 N/A ALA 390.A N PRO 387.A O no hydrogen 3.086 N/A ILE 391.A N THR 388.A O no hydrogen 3.079 N/A TYR 394.A OH.A THR 400.A OG1 no hydrogen 2.526 N/A TYR 394.A OH.B GLU 357.A OE1 no hydrogen 2.511 N/A GLU 399.A N GLU 399.A OE2 no hydrogen 2.869 N/A THR 400.A N VAL 397.A O no hydrogen 3.053 N/A THR 400.A OG1 TYR 394.A OH.A no hydrogen 2.526 N/A ASN 401.A N PRO 398.A O no hydrogen 3.483 N/A ASN 401.A ND2 THR 356.A OG1 no hydrogen 3.186 N/A ARG 402.A N GLU 357.A OE1 no hydrogen 3.039 N/A ARG 402.A NH2 GLU 408.A OE2 no hydrogen 2.640 N/A LEU 404.A N VAL 355.A O no hydrogen 2.787 N/A ASP 407.A N SER 405.A OG no hydrogen 3.039 N/A TYR 410.A N MET 429.A O no hydrogen 2.816 N/A TYR 410.A OH SER 383.A OG no hydrogen 2.747 N/A LEU 411.A N SER 384.A O no hydrogen 2.811 N/A ILE 412.A N ARG 427.A O no hydrogen 2.933 N/A ASP 413.A N ILE 382.A O no hydrogen 2.857 N/A SER 414.A N VAL 425.A O no hydrogen 2.956 N/A ALA 416.A N THR 423.A OG1 no hydrogen 2.909 N/A GLN 417.A N ASP 376.A O no hydrogen 2.748 N/A GLN 417.A NE2 HIS 216.A O no hydrogen 3.497 N/A GLN 417.A NE2 LEU 493.A O no hydrogen 2.916 N/A TYR 418.A N GLY 421.A O no hydrogen 2.819 N/A TYR 418.A OH ASP 335.A OD1 no hydrogen 2.684 N/A LYS 419.A N ASP 373.A O no hydrogen 2.995 N/A GLY 421.A N TYR 418.A O no hydrogen 3.047 N/A THR 422.A OG1 GLN 417.A OE1 no hydrogen 2.716 N/A THR 422.A OG1 GLY 490.A O no hydrogen 3.254 N/A THR 422.A OG1 LEU 493.A O no hydrogen 3.346 N/A THR 423.A N ALA 416.A O no hydrogen 2.853 N/A THR 423.A OG1 ASP 335.A OD2 no hydrogen 2.765 N/A VAL 425.A N SER 414.A O no hydrogen 2.952 N/A THR 426.A N GLU 535.A O no hydrogen 3.336 N/A THR 426.A OG1 GLU 535.A OE1 no hydrogen 2.630 N/A ARG 427.A N ILE 412.A O no hydrogen 3.029 N/A ARG 427.A NE VAL 563.A O no hydrogen 3.145 N/A ARG 427.A NE PRO 564.A O no hydrogen 2.938 N/A ARG 427.A NH1 THR 426.A O no hydrogen 2.966 N/A ARG 427.A NH1 GLU 535.A O no hydrogen 3.097 N/A ARG 427.A NH1 ASN 536.A OD1 no hydrogen 3.051 N/A ARG 427.A NH2 ASN 536.A OD1 no hydrogen 2.783 N/A ARG 427.A NH2 VAL 563.A O no hydrogen 2.777 N/A THR 428.A OG1 ARG 533.A O no hydrogen 2.919 N/A MET 429.A N TYR 410.A O no hydrogen 2.803 N/A HIS 430.A N GLN 566.A OE1 no hydrogen 2.842 N/A GLU 432.A N HIS 430.A ND1 no hydrogen 2.972 N/A THR 435.A N GLU 438.A OE1 no hydrogen 2.882 N/A TYR 437.A OH GLU 526.A OE1 no hydrogen 2.709 N/A GLU 438.A N THR 435.A OG1 no hydrogen 2.965 N/A LYS 439.A N THR 435.A O no hydrogen 3.018 N/A GLU 440.A N ALA 436.A O no hydrogen 2.747 N/A CYS 441.A N TYR 437.A O no hydrogen 2.905 N/A CYS 441.A SG TYR 437.A O no hydrogen 3.436 N/A PHE 442.A N GLU 438.A O no hydrogen 2.954 N/A THR 443.A N LYS 439.A O no hydrogen 2.863 N/A THR 443.A OG1 LYS 439.A O no hydrogen 2.753 N/A TYR 444.A N GLU 440.A O no hydrogen 3.027 N/A TYR 444.A OH GLU 440.A OE2 no hydrogen 2.511 N/A VAL 445.A N CYS 441.A O no hydrogen 2.987 N/A LEU 446.A N PHE 442.A O no hydrogen 2.826 N/A LYS 447.A N THR 443.A O no hydrogen 2.820 N/A LYS 447.A NZ SER 574.A O no hydrogen 2.867 N/A LYS 447.A NZ GLU 579.A OE1 no hydrogen 2.763 N/A LYS 447.A NZ GLU 579.A OE2 no hydrogen 3.559 N/A GLY 448.A N TYR 444.A O no hydrogen 3.134 N/A HIS 449.A N VAL 445.A O no hydrogen 2.839 N/A HIS 449.A ND1 ILE 534.A O no hydrogen 2.939 N/A ILE 450.A N LEU 446.A O no hydrogen 2.870 N/A ALA 451.A N LYS 447.A O no hydrogen 2.865 N/A VAL 452.A N GLY 448.A O no hydrogen 3.082 N/A SER 453.A N HIS 449.A O no hydrogen 2.964 N/A ALA 454.A N ILE 450.A O no hydrogen 2.774 N/A ALA 455.A N VAL 452.A O no hydrogen 3.081 N/A PHE 457.A N LEU 555.A O no hydrogen 2.978 N/A THR 459.A N.A GLY 553.A O no hydrogen 2.990 N/A THR 459.A N.B GLY 553.A O no hydrogen 2.991 N/A THR 459.A OG1.A ARG 552.A O no hydrogen 2.986 N/A THR 459.A OG1.A GLY 553.A O no hydrogen 3.393 N/A THR 459.A OG1.B ARG 552.A O no hydrogen 3.053 N/A THR 459.A OG1.B GLY 553.A O no hydrogen 2.837 N/A GLY 460.A N LEU 512.A O no hydrogen 2.893 N/A THR 461.A N PRO 458.A O no hydrogen 3.233 N/A THR 461.A OG1 PRO 458.A O no hydrogen 2.670 N/A HIS 464.A N ASP 509.A OD1 no hydrogen 2.886 N/A HIS 464.A ND1 ASP 509.A OD2 no hydrogen 2.757 N/A LEU 465.A N LYS 462.A O no hydrogen 2.916 N/A LEU 466.A N GLY 463.A O no hydrogen 2.825 N/A ASP 467.A N HIS 464.A O no hydrogen 3.188 N/A PHE 469.A N LEU 466.A O no hydrogen 3.149 N/A ALA 470.A N ASP 467.A O no hydrogen 3.116 N/A ARG 471.A N SER 468.A O no hydrogen 2.926 N/A ARG 471.A NE ASP 467.A OD2 no hydrogen 2.788 N/A ARG 471.A NH1 ASP 480.A OD1 no hydrogen 2.883 N/A ARG 471.A NH1 TYR 481.A O no hydrogen 2.928 N/A ARG 471.A NH2 ASP 467.A OD1 no hydrogen 3.145 N/A ARG 471.A NH2 ASP 467.A OD2 no hydrogen 3.470 N/A ARG 471.A NH2 HIS 483.A O no hydrogen 2.879 N/A SER 472.A N.A SER 468.A O no hydrogen 3.116 N/A SER 472.A N.B SER 468.A O no hydrogen 3.141 N/A SER 472.A N.C SER 468.A O no hydrogen 3.121 N/A SER 472.A OG.A SER 468.A O no hydrogen 3.441 N/A TRP 475.A N ARG 471.A O no hydrogen 2.704 N/A TRP 475.A NE1 ASP 480.A OD2 no hydrogen 3.287 N/A ASP 476.A N SER 472.A O.A no hydrogen 2.841 N/A ASP 476.A N SER 472.A O.B no hydrogen 2.998 N/A ASP 476.A N SER 472.A O.C no hydrogen 2.938 N/A SER 477.A N.A LEU 474.A O no hydrogen 3.014 N/A SER 477.A N.B LEU 474.A O no hydrogen 2.998 N/A SER 477.A OG.A TYR 444.A OH no hydrogen 2.791 N/A SER 477.A OG.B LEU 474.A O no hydrogen 2.709 N/A GLY 478.A N TRP 475.A O no hydrogen 2.966 N/A LEU 479.A N LEU 474.A O no hydrogen 2.893 N/A TYR 481.A N ASP 480.A OD1 no hydrogen 2.863 N/A TYR 481.A OH THR 485.A OG1 no hydrogen 2.676 N/A HIS 483.A ND1 GLY 484.A O no hydrogen 2.757 N/A HIS 483.A NE2 TYR 525.A OH no hydrogen 2.668 N/A THR 485.A OG1 ASP 467.A OD1 no hydrogen 2.569 N/A THR 485.A OG1 TYR 481.A OH no hydrogen 2.676 N/A GLY 486.A N ILE 502.A O no hydrogen 2.870 N/A HIS 487.A N THR 519.A OG1 no hydrogen 3.019 N/A HIS 487.A ND1 GLY 488.A O no hydrogen 2.865 N/A VAL 489.A N ILE 517.A O no hydrogen 3.013 N/A GLY 490.A N ASN 494.A O no hydrogen 2.863 N/A LEU 493.A N THR 422.A OG1 no hydrogen 3.137 N/A HIS 496.A ND1 GLU 39.A OE2 no hydrogen 2.726 N/A GLU 497.A N GLY 488.A O no hydrogen 2.915 N/A ILE 502.A N GLY 486.A O no hydrogen 3.108 N/A LYS 505.A N SER 503.A OG no hydrogen 3.078 N/A GLU 510.A N PRO 499.A O no hydrogen 3.076 N/A LEU 512.A N THR 461.A O no hydrogen 2.827 N/A GLY 515.A N VAL 540.A O no hydrogen 2.924 N/A MET 516.A N GLU 513.A O.A no hydrogen 3.173 N/A MET 516.A N GLU 513.A O.B no hydrogen 3.149 N/A MET 516.A N GLU 513.A O.C no hydrogen 3.141 N/A VAL 518.A N VAL 538.A O no hydrogen 3.006 N/A THR 519.A N HIS 487.A O no hydrogen 2.849 N/A THR 519.A OG1 GLU 521.A OE2 no hydrogen 2.890 N/A ASP 520.A N ASN 536.A O no hydrogen 2.832 N/A GLU 521.A N THR 485.A O no hydrogen 2.777 N/A TYR 524.A N ILE 532.A O no hydrogen 2.795 N/A TYR 524.A OH GLU 526.A OE1 no hydrogen 2.737 N/A TYR 525.A OH HIS 483.A NE2 no hydrogen 2.668 N/A GLU 526.A N PHE 530.A O no hydrogen 2.850 N/A ALA 529.A N GLU 526.A O no hydrogen 2.868 N/A PHE 530.A N GLU 526.A O no hydrogen 3.113 N/A ILE 532.A N TYR 524.A O no hydrogen 2.800 N/A ARG 533.A N THR 428.A OG1 no hydrogen 3.006 N/A ARG 533.A NE THR 426.A OG1 no hydrogen 3.179 N/A ARG 533.A NH1 TYR 525.A OH no hydrogen 2.833 N/A ARG 533.A NH2 ASP 413.A OD2 no hydrogen 2.819 N/A ILE 534.A N PRO 522.A O no hydrogen 3.250 N/A GLU 535.A N THR 426.A O no hydrogen 3.100 N/A ASN 536.A N ASP 520.A O no hydrogen 3.129 N/A ASN 536.A ND2 TYR 586.A OH no hydrogen 3.383 N/A VAL 537.A N THR 561.A OG1 no hydrogen 2.822 N/A VAL 538.A N VAL 518.A O no hydrogen 2.785 N/A LEU 539.A N GLU 558.A O no hydrogen 2.801 N/A VAL 540.A N MET 516.A O no hydrogen 2.843 N/A VAL 541.A N THR 556.A O no hydrogen 2.866 N/A VAL 543.A N SER 554.A O no hydrogen 3.066 N/A THR 545.A OG1 TYR 547.A O no hydrogen 2.661 N/A GLY 553.A N ASN 551.A O no hydrogen 3.136 N/A LEU 555.A N PHE 457.A O no hydrogen 2.710 N/A THR 556.A N VAL 541.A O no hydrogen 2.832 N/A THR 556.A OG1 ALA 455.A O no hydrogen 2.677 N/A LEU 557.A N THR 556.A OG1 no hydrogen 2.809 N/A GLU 558.A N LEU 539.A O no hydrogen 2.844 N/A LEU 560.A N VAL 537.A O no hydrogen 2.805 N/A THR 561.A N VAL 537.A O no hydrogen 3.366 N/A VAL 563.A N TYR 586.A OH no hydrogen 3.131 N/A ILE 565.A N HIS 587.A NE2 no hydrogen 2.896 N/A GLN 566.A NE2 HIS 430.A O no hydrogen 2.920 N/A LYS 568.A NZ HIS 430.A O no hydrogen 2.954 N/A LYS 568.A NZ GLU 432.A O no hydrogen 3.002 N/A MET 569.A N GLN 566.A O no hydrogen 3.181 N/A ILE 570.A N THR 567.A O no hydrogen 2.959 N/A ASP 571.A N THR 443.A OG1 no hydrogen 2.818 N/A SER 574.A N ASP 571.A O no hydrogen 3.017 N/A SER 574.A OG ASP 571.A O no hydrogen 2.837 N/A LEU 575.A N VAL 572.A O no hydrogen 3.015 N/A THR 576.A N GLU 579.A OE1 no hydrogen 2.916 N/A GLU 579.A N THR 576.A OG1 no hydrogen 3.007 N/A CYS 580.A N.A THR 576.A O no hydrogen 2.896 N/A CYS 580.A N.B THR 576.A O no hydrogen 2.915 N/A CYS 580.A SG.A ILE 617.A O no hydrogen 3.805 N/A CYS 580.A SG.B THR 576.A O no hydrogen 3.634 N/A ASP 581.A N ASP 577.A O no hydrogen 2.841 N/A TRP 582.A N LYS 578.A O no hydrogen 2.870 N/A LEU 583.A N GLU 579.A O no hydrogen 2.963 N/A ASN 584.A N CYS 580.A O.A no hydrogen 2.962 N/A ASN 584.A N CYS 580.A O.B no hydrogen 2.864 N/A ASN 584.A ND2 ILE 617.A O no hydrogen 3.079 N/A ASN 585.A N.A ASP 581.A O no hydrogen 2.946 N/A ASN 585.A N.B ASP 581.A O no hydrogen 2.961 N/A TYR 586.A N TRP 582.A O no hydrogen 2.854 N/A TYR 586.A OH THR 561.A O no hydrogen 2.598 N/A TYR 586.A OH VAL 563.A O no hydrogen 3.327 N/A HIS 587.A N LEU 583.A O no hydrogen 2.861 N/A LEU 588.A N ASN 584.A O no hydrogen 2.957 N/A THR 589.A N ASN 585.A O.A no hydrogen 2.868 N/A THR 589.A N ASN 585.A O.B no hydrogen 3.024 N/A THR 589.A OG1 ASN 585.A O.A no hydrogen 3.097 N/A THR 589.A OG1 ASN 585.A O.B no hydrogen 2.788 N/A CYS 590.A N TYR 586.A O no hydrogen 2.916 N/A CYS 590.A SG TYR 586.A O no hydrogen 3.443 N/A ARG 591.A N HIS 587.A O no hydrogen 2.955 N/A ARG 591.A NE THR 614.A OG1 no hydrogen 2.874 N/A ARG 591.A NH2 ILE 611.A O no hydrogen 3.090 N/A ARG 591.A NH2 THR 614.A OG1 no hydrogen 3.234 N/A ASP 592.A N LEU 588.A O no hydrogen 2.794 N/A VAL 593.A N THR 589.A O no hydrogen 2.957 N/A ILE 594.A N CYS 590.A O no hydrogen 2.863 N/A LYS 596.A N ASP 592.A O no hydrogen 3.129 N/A GLU 597.A N VAL 593.A O no hydrogen 3.297 N/A LEU 598.A N ILE 594.A O no hydrogen 2.792 N/A GLN 599.A N GLY 595.A O no hydrogen 2.936 N/A LYS 600.A N LYS 596.A O no hydrogen 2.938 N/A GLN 601.A N GLU 597.A O no hydrogen 2.869 N/A GLN 601.A NE2 GLN 371.A OE1 no hydrogen 3.036 N/A GLN 601.A NE2 GLU 597.A OE2 no hydrogen 2.895 N/A GLY 602.A N GLN 599.A O no hydrogen 3.136 N/A ARG 603.A N LEU 598.A O no hydrogen 2.893 N/A ARG 603.A NE GLN 601.A OE1 no hydrogen 2.780 N/A ARG 603.A NH1 GLU 341.A OE2 no hydrogen 2.812 N/A ARG 603.A NH1 GLN 370.A OE1 no hydrogen 2.906 N/A ARG 603.A NH2 GLN 370.A OE1 no hydrogen 3.052 N/A GLN 604.A NE2 GLU 608.A OE2 no hydrogen 3.090 N/A LEU 607.A N ARG 603.A O no hydrogen 3.025 N/A GLU 608.A N GLN 604.A O no hydrogen 2.963 N/A TRP 609.A N GLU 605.A O no hydrogen 3.077 N/A TRP 609.A NE1 GLU 347.A OE2 no hydrogen 2.958 N/A LEU 610.A N ALA 606.A O no hydrogen 2.907 N/A ILE 611.A N LEU 607.A O no hydrogen 2.927 N/A ARG 612.A N GLU 608.A O no hydrogen 3.072 N/A GLU 613.A N TRP 609.A O no hydrogen 2.965 N/A THR 614.A N ILE 611.A O no hydrogen 3.292 N/A THR 614.A OG1 LEU 610.A O no hydrogen 2.681 N/A THR 614.A OG1 ILE 611.A O no hydrogen 3.262 N/A GLN 615.A NE2 ILE 611.A O no hydrogen 3.027 N/A ILE 617.A N ASN 584.A OD1 no hydrogen 2.831 N/A