Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2r_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE1 no hydrogen 3.063 N/A LYS 7.A N THR 3.A O no hydrogen 2.975 N/A LYS 7.A NZ PHE 54.A O no hydrogen 2.904 N/A LEU 8.A N ALA 4.A O no hydrogen 3.124 N/A ALA 9.A N LEU 5.A O no hydrogen 2.983 N/A LYS 10.A N GLU 6.A O no hydrogen 3.049 N/A LEU 11.A N LYS 7.A O no hydrogen 3.027 N/A ARG 12.A N LEU 8.A O no hydrogen 2.915 N/A ARG 12.A NE THR 68.A O no hydrogen 2.733 N/A ARG 12.A NH2 THR 68.A O no hydrogen 3.403 N/A ARG 12.A NH2 GLU 71.A O no hydrogen 3.057 N/A SER 13.A N ALA 9.A O no hydrogen 2.883 N/A LEU 14.A N LYS 10.A O no hydrogen 3.261 N/A LEU 14.A N LEU 11.A O no hydrogen 2.948 N/A PHE 15.A N ARG 12.A O no hydrogen 3.184 N/A HIS 16.A N SER 13.A O no hydrogen 3.351 N/A SER 17.A N LEU 14.A O no hydrogen 3.215 N/A SER 17.A OG LEU 14.A O no hydrogen 2.878 N/A ARG 19.A NH1 PRO 150.A O no hydrogen 2.683 N/A ARG 19.A NH2 GLY 151.A O no hydrogen 3.253 N/A LEU 21.A N SER 17.A O no hydrogen 2.965 N/A ALA 22.A N GLU 18.A O no hydrogen 2.932 N/A LEU 23.A N VAL 20.A O no hydrogen 2.954 N/A THR 24.A OG1 VAL 20.A O no hydrogen 3.212 N/A THR 24.A OG1 LYS 27.A O no hydrogen 2.457 N/A SER 26.A N LEU 21.A O no hydrogen 2.826 N/A LYS 27.A N THR 24.A O no hydrogen 3.239 N/A LYS 27.A NZ GLY 117.A O no hydrogen 3.175 N/A MET 29.A N PHE 15.A O no hydrogen 3.075 N/A VAL 30.A N VAL 119.A O no hydrogen 2.867 N/A ALA 31.A N VAL 119.A O no hydrogen 3.224 N/A TYR 32.A N VAL 67.A O no hydrogen 2.843 N/A LEU 33.A N GLY 121.A O no hydrogen 2.898 N/A LEU 34.A N VAL 65.A O no hydrogen 2.798 N/A SER 36.A N ALA 63.A O no hydrogen 2.980 N/A THR 37.A OG1 SER 42.A O no hydrogen 2.830 N/A HIS 40.A N ASP 38.A OD1 no hydrogen 2.995 N/A HIS 40.A ND1 THR 203.A O no hydrogen 2.793 N/A HIS 40.A NE2 TYR 263.A OH no hydrogen 2.607 N/A HIS 41.A N ASP 38.A O no hydrogen 3.061 N/A SER 42.A N ASP 38.A OD1 no hydrogen 2.788 N/A SER 42.A OG ASP 38.A OD1 no hydrogen 3.087 N/A SER 42.A OG ASP 38.A OD2 no hydrogen 2.787 N/A ASP 49.A N ALA 46.A O no hydrogen 2.914 N/A PHE 50.A N ASP 47.A O no hydrogen 3.316 N/A ARG 51.A N ASP 49.A O no hydrogen 2.892 N/A ARG 51.A NE ASP 155.A OD1 no hydrogen 2.791 N/A ARG 51.A NH2 ASP 155.A OD1 no hydrogen 3.352 N/A ARG 51.A NH2 ASP 155.A OD2 no hydrogen 2.762 N/A PHE 54.A N PHE 50.A O no hydrogen 3.276 N/A LEU 55.A N ARG 51.A O no hydrogen 2.982 N/A SER 56.A N VAL 52.A O no hydrogen 2.792 N/A SER 56.A OG VAL 52.A O no hydrogen 2.883 N/A GLY 57.A N LYS 53.A O no hydrogen 2.755 N/A PHE 58.A N SER 56.A OG no hydrogen 2.970 N/A SER 59.A N GLN 87.A OE1 no hydrogen 2.923 N/A SER 61.A N TYR 80.A OH no hydrogen 2.974 N/A SER 61.A OG TYR 80.A OH no hydrogen 2.756 N/A ASN 62.A ND2 ASP 77.A OD1 no hydrogen 2.573 N/A ASN 62.A ND2 GLN 98.A OE1 no hydrogen 3.132 N/A TYR 64.A N TRP 75.A O no hydrogen 3.032 N/A VAL 65.A N LEU 34.A O no hydrogen 2.988 N/A VAL 66.A N LEU 73.A O no hydrogen 2.906 N/A VAL 67.A N TYR 32.A O no hydrogen 2.972 N/A THR 68.A N GLU 71.A O no hydrogen 2.918 N/A THR 68.A OG1 GLU 71.A O no hydrogen 3.449 N/A ARG 70.A N THR 68.A OG1 no hydrogen 3.083 N/A GLU 71.A N THR 68.A OG1 no hydrogen 2.747 N/A LEU 73.A N VAL 66.A O no hydrogen 2.875 N/A LEU 74.A N LYS 94.A O no hydrogen 3.086 N/A TRP 75.A N TYR 64.A O no hydrogen 2.734 N/A TRP 75.A NE1 ILE 104.A O no hydrogen 2.848 N/A THR 76.A N MET 96.A O no hydrogen 3.183 N/A THR 76.A OG1 ASN 62.A O no hydrogen 2.600 N/A ASP 77.A N THR 76.A OG1 no hydrogen 2.853 N/A ARG 79.A N ASP 77.A OD2 no hydrogen 3.064 N/A ARG 79.A NE ASP 77.A OD2 no hydrogen 2.778 N/A ARG 79.A NH2 ASP 77.A OD1 no hydrogen 3.013 N/A TYR 80.A N ASP 77.A O no hydrogen 2.872 N/A TYR 80.A OH SER 61.A OG no hydrogen 2.756 N/A GLN 83.A NE2 GLN 87.A OE1 no hydrogen 2.891 N/A ALA 84.A N TYR 80.A O no hydrogen 2.786 N/A GLY 85.A N PHE 81.A O no hydrogen 3.256 N/A ASN 86.A N THR 82.A O no hydrogen 3.118 N/A GLN 87.A N GLN 83.A O no hydrogen 2.866 N/A GLN 87.A NE2 SER 59.A OG no hydrogen 2.702 N/A LEU 88.A N ALA 84.A O no hydrogen 2.896 N/A SER 92.A N ASP 89.A O no hydrogen 2.851 N/A TRP 93.A N ASP 89.A O no hydrogen 2.865 N/A LYS 94.A N ALA 72.A O no hydrogen 2.939 N/A LYS 94.A NZ LEU 95.A O no hydrogen 3.471 N/A MET 96.A N LEU 74.A O no hydrogen 2.910 N/A GLN 98.A N THR 76.A O no hydrogen 2.936 N/A GLN 100.A N SER 103.A OG no hydrogen 2.816 N/A SER 103.A N GLN 100.A O no hydrogen 3.190 N/A SER 103.A OG LYS 97.A O no hydrogen 2.716 N/A SER 103.A OG GLN 100.A O no hydrogen 3.173 N/A ASP 108.A N THR 105.A OG1 no hydrogen 3.284 N/A TRP 109.A N THR 105.A O no hydrogen 3.064 N/A LEU 110.A N VAL 106.A O no hydrogen 2.965 N/A VAL 111.A N VAL 107.A O no hydrogen 2.999 N/A ARG 112.A N ASP 108.A O no hydrogen 2.981 N/A ARG 112.A NE GLU 113.A OE2 no hydrogen 2.711 N/A ARG 112.A NH2 GLU 113.A OE2 no hydrogen 2.804 N/A GLU 113.A N TRP 109.A O no hydrogen 2.889 N/A LEU 114.A N LEU 110.A O no hydrogen 3.087 N/A GLY 117.A N GLY 143.A O no hydrogen 2.837 N/A SER 118.A N GLU 115.A O no hydrogen 3.081 N/A SER 118.A OG GLU 115.A O no hydrogen 2.638 N/A ILE 120.A N GLN 145.A O no hydrogen 3.034 N/A GLY 121.A N ALA 31.A O no hydrogen 2.773 N/A PHE 122.A N VAL 147.A O no hydrogen 3.285 N/A THR 125.A N ASP 123.A OD1 no hydrogen 3.045 N/A THR 125.A OG1 ASP 123.A OD1 no hydrogen 3.034 N/A LEU 126.A N ASP 123.A O no hydrogen 3.034 N/A PHE 129.A N THR 292.A O no hydrogen 2.750 N/A GLY 132.A N THR 128.A OG1 no hydrogen 3.214 N/A SER 133.A N PHE 129.A O no hydrogen 3.177 N/A SER 133.A OG PHE 129.A O no hydrogen 2.852 N/A LYS 134.A N ASP 130.A O no hydrogen 3.369 N/A THR 135.A N ALA 131.A O no hydrogen 3.064 N/A THR 135.A OG1 ALA 131.A O no hydrogen 3.367 N/A PHE 136.A N GLY 132.A O no hydrogen 2.883 N/A LYS 137.A N SER 133.A O no hydrogen 2.835 N/A LYS 137.A NZ GLU 302.A OE1 no hydrogen 3.454 N/A ARG 138.A N LYS 134.A O no hydrogen 3.058 N/A ARG 138.A NH2 ASP 108.A OD1 no hydrogen 2.750 N/A LEU 139.A N THR 135.A O no hydrogen 2.920 N/A LYS 140.A N PHE 136.A O no hydrogen 2.909 N/A ALA 141.A N LYS 137.A O no hydrogen 2.901 N/A ALA 142.A N ARG 138.A O no hydrogen 2.810 N/A GLY 143.A N LYS 140.A O no hydrogen 3.149 N/A LEU 144.A N LEU 139.A O no hydrogen 2.971 N/A GLN 145.A N SER 118.A O no hydrogen 2.852 N/A VAL 147.A N ILE 120.A O no hydrogen 2.849 N/A ILE 149.A N PHE 122.A O no hydrogen 2.799 N/A ASN 152.A ND2 ASP 123.A OD2 no hydrogen 2.842 N/A LEU 153.A N TYR 32.A OH no hydrogen 3.067 N/A VAL 154.A N ASN 152.A OD1 no hydrogen 2.906 N/A GLU 156.A N LEU 153.A O no hydrogen 3.173 N/A PHE 157.A N VAL 154.A O no hydrogen 3.178 N/A TRP 158.A N ASP 155.A O no hydrogen 3.396 N/A ARG 161.A NE TYR 48.A O no hydrogen 2.945 N/A ARG 161.A NH2 TYR 48.A O no hydrogen 3.060 N/A GLU 167.A N SER 217.A OG no hydrogen 3.029 N/A VAL 169.A N LYS 244.A O no hydrogen 2.807 N/A VAL 170.A N ARG 215.A O no hydrogen 2.852 N/A LEU 172.A N ASN 213.A O no hydrogen 2.930 N/A GLU 175.A N ASP 173.A OD1 no hydrogen 2.621 N/A ASP 176.A N ASP 173.A O no hydrogen 2.955 N/A THR 177.A N ASP 173.A O no hydrogen 3.085 N/A THR 177.A OG1 LEU 179.A O no hydrogen 3.446 N/A THR 177.A OG1 ASN 213.A OD1 no hydrogen 3.562 N/A GLY 178.A N VAL 174.A O no hydrogen 2.666 N/A THR 181.A OG1 LEU 211.A O no hydrogen 3.003 N/A THR 181.A OG1 HIS 252.A NE2 no hydrogen 3.421 N/A LYS 183.A N THR 180.A OG1 no hydrogen 2.930 N/A LYS 184.A N THR 180.A O no hydrogen 3.090 N/A LYS 184.A NZ TRP 210.A O no hydrogen 2.770 N/A LYS 184.A NZ ASN 213.A OD1 no hydrogen 2.865 N/A VAL 185.A N THR 181.A O no hydrogen 2.969 N/A GLU 186.A N SER 182.A O no hydrogen 2.975 N/A ASN 187.A N LYS 183.A O no hydrogen 2.895 N/A LEU 188.A N LYS 184.A O no hydrogen 2.925 N/A ARG 189.A N VAL 185.A O no hydrogen 2.862 N/A ARG 189.A NE ALA 232.A O no hydrogen 2.693 N/A ARG 189.A NH2 ALA 232.A O no hydrogen 3.006 N/A ARG 189.A NH2 GLU 235.A O no hydrogen 3.389 N/A GLU 190.A N GLU 186.A O no hydrogen 3.222 N/A LYS 191.A N ASN 187.A O no hydrogen 3.325 N/A LEU 192.A N LEU 188.A O no hydrogen 2.933 N/A LYS 193.A N ARG 189.A O no hydrogen 2.957 N/A GLN 194.A N GLU 190.A O no hydrogen 3.221 N/A LYS 195.A N LYS 191.A O no hydrogen 3.247 N/A LYS 195.A N LEU 192.A O no hydrogen 3.030 N/A LYS 196.A N LYS 193.A O no hydrogen 3.035 N/A CYS 197.A N LEU 192.A O no hydrogen 2.878 N/A CYS 197.A SG LYS 195.A O no hydrogen 4.013 N/A ASP 198.A N MET 285.A O no hydrogen 2.796 N/A ALA 199.A N MET 285.A O no hydrogen 3.183 N/A ALA 200.A N VAL 231.A O no hydrogen 2.972 N/A VAL 201.A N TYR 287.A O no hydrogen 3.356 N/A PHE 202.A N LEU 229.A O no hydrogen 2.786 N/A VAL 208.A N LEU 204.A O no hydrogen 3.194 N/A MET 209.A N LEU 205.A O no hydrogen 3.024 N/A TRP 210.A N ASP 206.A O no hydrogen 3.096 N/A TRP 210.A NE1 GLU 323.A OE2 no hydrogen 3.088 N/A LEU 211.A N ASP 207.A O no hydrogen 3.092 N/A LEU 212.A N VAL 208.A O no hydrogen 3.056 N/A ASN 213.A N TRP 210.A O no hydrogen 3.258 N/A ASN 213.A ND2 LEU 179.A O no hydrogen 2.834 N/A ILE 214.A N MET 209.A O no hydrogen 3.039 N/A ARG 215.A N VAL 170.A O no hydrogen 2.970 N/A ARG 215.A NE TYR 493.A O no hydrogen 2.594 N/A ARG 215.A NH1 ILE 214.A O no hydrogen 2.893 N/A ARG 215.A NH2 HIS 492.A O no hydrogen 2.945 N/A GLY 216.A N PRO 223.A O no hydrogen 2.965 N/A SER 217.A OG GLU 167.A OE2 no hydrogen 3.477 N/A ASP 218.A N LEU 224.A O no hydrogen 2.888 N/A ASN 222.A N ILE 219.A O no hydrogen 3.023 N/A ASN 222.A ND2 PRO 220.A O no hydrogen 2.898 N/A LEU 224.A N ASN 222.A O no hydrogen 2.807 N/A TYR 226.A N ASP 218.A OD2 no hydrogen 2.826 N/A TYR 226.A OH ASP 49.A OD2 no hydrogen 2.528 N/A SER 227.A OG ALA 225.A O no hydrogen 2.921 N/A TYR 228.A N PHE 239.A O no hydrogen 3.071 N/A LEU 229.A N PHE 202.A O no hydrogen 3.054 N/A PHE 230.A N HIS 237.A O no hydrogen 2.746 N/A VAL 231.A N ALA 200.A O no hydrogen 2.925 N/A ALA 232.A N GLU 235.A O no hydrogen 2.987 N/A HIS 237.A N PHE 230.A O no hydrogen 2.880 N/A HIS 237.A ND1 HIS 261.A NE2 no hydrogen 2.757 N/A HIS 237.A NE2 GLU 235.A OE1 no hydrogen 2.563 N/A VAL 238.A N SER 259.A O no hydrogen 2.942 N/A PHE 239.A N TYR 228.A O no hydrogen 2.833 N/A ILE 240.A N HIS 261.A O no hydrogen 2.929 N/A ASN 242.A ND2 ILE 240.A O no hydrogen 3.669 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 3.228 N/A LYS 244.A N ASP 241.A O no hydrogen 3.141 N/A LYS 244.A NZ ASP 218.A OD1 no hydrogen 3.424 N/A LYS 244.A NZ ASP 218.A OD2 no hydrogen 2.687 N/A LEU 245.A N ASN 242.A O no hydrogen 3.089 N/A ASP 246.A N SER 249.A OG no hydrogen 2.807 N/A SER 249.A N ASP 246.A OD1 no hydrogen 3.020 N/A SER 249.A OG ASP 246.A O no hydrogen 3.167 N/A SER 249.A OG ASP 246.A OD1 no hydrogen 3.061 N/A ARG 250.A N ASP 246.A O no hydrogen 3.049 N/A ARG 250.A NH1 ASN 242.A OD1 no hydrogen 3.475 N/A ARG 250.A NH2 ASN 242.A OD1 no hydrogen 3.188 N/A ALA 251.A N GLU 247.A O no hydrogen 3.030 N/A HIS 252.A N LYS 248.A O no hydrogen 3.015 N/A HIS 252.A NE2 LEU 212.A O no hydrogen 2.755 N/A PHE 253.A N SER 249.A O no hydrogen 2.746 N/A HIS 254.A N ARG 250.A O no hydrogen 2.837 N/A LYS 255.A N ALA 251.A O no hydrogen 3.027 N/A SER 256.A N HIS 252.A O no hydrogen 3.097 N/A SER 256.A N PHE 253.A O no hydrogen 3.173 N/A SER 256.A OG HIS 252.A O no hydrogen 2.797 N/A ASN 257.A N HIS 254.A O no hydrogen 3.044 N/A VAL 258.A N PHE 253.A O no hydrogen 2.805 N/A SER 259.A N ILE 236.A O no hydrogen 2.744 N/A HIS 261.A N VAL 238.A O no hydrogen 2.875 N/A HIS 261.A NE2 HIS 237.A ND1 no hydrogen 2.757 N/A TYR 263.A OH HIS 40.A NE2 no hydrogen 2.607 N/A GLU 265.A N PRO 262.A O no hydrogen 3.295 N/A SER 268.A OG GLU 265.A O no hydrogen 3.407 N/A TRP 269.A N GLU 265.A O no hydrogen 3.011 N/A ILE 270.A N VAL 266.A O no hydrogen 2.986 N/A SER 271.A N TYR 267.A O no hydrogen 2.980 N/A ASN 272.A N SER 268.A O no hydrogen 2.903 N/A TRP 273.A N TRP 269.A O no hydrogen 2.990 N/A LEU 274.A N ILE 270.A O no hydrogen 3.052 N/A LYS 275.A N SER 271.A O no hydrogen 3.189 N/A ALA 276.A N ASN 272.A O no hydrogen 2.837 N/A LYS 277.A N TRP 273.A O no hydrogen 3.010 N/A LYS 277.A N LEU 274.A O no hydrogen 3.216 N/A GLU 278.A N LEU 274.A O no hydrogen 2.823 N/A ALA 279.A N LYS 275.A O no hydrogen 2.755 N/A SER 280.A OG ALA 276.A O no hydrogen 3.032 N/A LYS 281.A N GLU 278.A O no hydrogen 3.319 N/A GLU 282.A N LYS 277.A O no hydrogen 3.357 N/A HIS 284.A ND1 GLU 282.A O no hydrogen 3.036 N/A MET 285.A N ASP 198.A OD2 no hydrogen 2.965 N/A VAL 286.A N ASN 304.A O no hydrogen 2.878 N/A TYR 287.A N ALA 199.A O no hydrogen 2.838 N/A TYR 287.A OH THR 309.A O no hydrogen 2.693 N/A LEU 288.A N MET 306.A O no hydrogen 2.771 N/A THR 289.A N THR 292.A OG1 no hydrogen 2.989 N/A THR 289.A OG1 GLU 291.A OE1 no hydrogen 3.089 N/A THR 289.A OG1 THR 292.A OG1 no hydrogen 3.310 N/A GLU 291.A N THR 289.A OG1 no hydrogen 3.251 N/A THR 292.A N THR 289.A O no hydrogen 2.984 N/A THR 292.A OG1 THR 289.A O no hydrogen 3.085 N/A THR 292.A OG1 THR 289.A OG1 no hydrogen 3.310 N/A ASN 293.A ND2 ALA 39.A O no hydrogen 3.008 N/A TYR 294.A N SER 127.A O no hydrogen 2.726 N/A ALA 295.A N PRO 124.A O no hydrogen 3.068 N/A ILE 296.A N ASN 293.A OD1 no hydrogen 2.793 N/A GLY 297.A N ASN 293.A O no hydrogen 3.147 N/A SER 298.A N TYR 294.A O no hydrogen 2.961 N/A SER 298.A OG TYR 294.A O no hydrogen 2.809 N/A ILE 300.A N GLY 297.A O no hydrogen 3.219 N/A GLY 301.A N GLY 297.A O no hydrogen 2.822 N/A ASN 304.A N GLY 301.A O no hydrogen 3.216 N/A ASN 304.A ND2 ILE 300.A O no hydrogen 3.074 N/A SER 305.A OG GLY 301.A O no hydrogen 2.726 N/A MET 306.A N VAL 286.A O no hydrogen 3.115 N/A ASP 308.A N LEU 288.A O no hydrogen 3.050 N/A THR 309.A N ASP 308.A OD1 no hydrogen 2.966 N/A THR 309.A OG1 THR 508.A O no hydrogen 3.009 N/A SER 310.A OG ASP 207.A OD2 no hydrogen 2.583 N/A VAL 312.A N SER 310.A OG no hydrogen 3.128 N/A GLN 313.A N SER 310.A OG no hydrogen 3.087 N/A GLN 313.A NE2 ASP 206.A OD2 no hydrogen 2.889 N/A GLN 313.A NE2 ASP 207.A OD1 no hydrogen 2.755 N/A THR 314.A N SER 310.A O no hydrogen 3.126 N/A THR 314.A OG1 SER 310.A O no hydrogen 3.422 N/A ALA 315.A N LEU 311.A O no hydrogen 3.078 N/A LYS 316.A N VAL 312.A O no hydrogen 2.894 N/A LYS 316.A NZ ASP 206.A OD2 no hydrogen 2.599 N/A LYS 316.A NZ GLU 498.A OE2 no hydrogen 2.872 N/A ALA 317.A N GLN 313.A O no hydrogen 3.277 N/A THR 318.A N ALA 315.A O no hydrogen 3.265 N/A LYS 319.A N SER 515.A O no hydrogen 2.823 N/A LYS 319.A NZ VAL 490.A O no hydrogen 2.934 N/A LYS 319.A NZ GLU 498.A OE1 no hydrogen 3.024 N/A ASN 320.A N GLU 323.A OE1 no hydrogen 2.903 N/A ASN 320.A ND2 THR 177.A O no hydrogen 2.841 N/A GLU 323.A N ASN 320.A OD1 no hydrogen 2.978 N/A MET 324.A N ASN 320.A O no hydrogen 3.014 N/A GLN 325.A N ASP 321.A O no hydrogen 3.091 N/A GLN 325.A NE2 ASN 329.A OD1 no hydrogen 2.868 N/A GLY 326.A N HIS 322.A O no hydrogen 3.138 N/A MET 327.A N GLU 323.A O no hydrogen 2.917 N/A ARG 328.A N MET 324.A O no hydrogen 2.942 N/A ARG 328.A NE GLU 539.A OE2 no hydrogen 2.884 N/A ARG 328.A NH1 GLN 325.A OE1 no hydrogen 3.006 N/A ARG 328.A NH2 GLU 539.A OE1 no hydrogen 2.926 N/A ASN 329.A N GLN 325.A O no hydrogen 3.010 N/A SER 330.A N GLY 326.A O no hydrogen 3.003 N/A SER 330.A OG GLY 326.A O no hydrogen 2.896 N/A SER 330.A OG MET 327.A O no hydrogen 3.353 N/A HIS 331.A N MET 327.A O no hydrogen 2.969 N/A HIS 331.A NE2 THR 423.A O no hydrogen 2.777 N/A LEU 332.A N ARG 328.A O no hydrogen 3.027 N/A ARG 333.A N ASN 329.A O no hydrogen 3.241 N/A ARG 333.A NH1 ASP 421.A OD1 no hydrogen 2.977 N/A ARG 333.A NH2 ASP 421.A OD2 no hydrogen 2.879 N/A ASP 334.A N SER 330.A O no hydrogen 2.950 N/A SER 335.A N HIS 331.A O no hydrogen 2.959 N/A SER 335.A OG HIS 331.A O no hydrogen 2.739 N/A ALA 336.A N LEU 332.A O no hydrogen 3.064 N/A ALA 337.A N ARG 333.A O no hydrogen 3.111 N/A LEU 338.A N ASP 334.A O no hydrogen 2.994 N/A VAL 339.A N SER 335.A O no hydrogen 2.751 N/A GLU 340.A N ALA 336.A O no hydrogen 3.026 N/A PHE 341.A N ALA 337.A O no hydrogen 3.047 N/A LEU 342.A N LEU 338.A O no hydrogen 2.921 N/A CYS 343.A N VAL 339.A O no hydrogen 2.962 N/A TRP 344.A N GLU 340.A O no hydrogen 3.241 N/A LEU 345.A N PHE 341.A O no hydrogen 2.812 N/A GLU 346.A N LEU 342.A O no hydrogen 3.170 N/A LYS 347.A N CYS 343.A O no hydrogen 3.281 N/A GLU 348.A N TRP 344.A O no hydrogen 2.974 N/A LEU 349.A N LEU 345.A O no hydrogen 2.793 N/A LEU 350.A N GLU 346.A O no hydrogen 3.009 N/A SER 351.A N LYS 347.A O no hydrogen 3.140 N/A SER 351.A OG LYS 347.A O no hydrogen 3.243 N/A SER 351.A OG GLU 348.A O no hydrogen 3.058 N/A GLY 352.A N LEU 349.A O no hydrogen 3.032 N/A LYS 353.A N GLU 348.A O no hydrogen 2.904 N/A ARG 354.A NE ALA 405.A O no hydrogen 2.939 N/A ARG 354.A NH2 LYS 404.A O no hydrogen 3.153 N/A TYR 355.A OH GLU 348.A OE1 no hydrogen 2.522 N/A THR 356.A N GLU 359.A OE1 no hydrogen 3.031 N/A GLU 357.A N ARG 403.A O no hydrogen 3.020 N/A ILE 358.A N GLY 401.A O no hydrogen 3.299 N/A GLU 359.A N THR 356.A OG1 no hydrogen 3.043 N/A LEU 360.A N THR 356.A O no hydrogen 3.033 N/A ALA 361.A N GLU 357.A O no hydrogen 2.921 N/A ASP 362.A N ILE 358.A O no hydrogen 2.893 N/A LYS 363.A N GLU 359.A O no hydrogen 2.927 N/A ILE 364.A N LEU 360.A O no hydrogen 3.256 N/A ASP 365.A N ALA 361.A O no hydrogen 2.985 N/A HIS 366.A N ASP 362.A O no hydrogen 2.870 N/A LEU 367.A N LYS 363.A O no hydrogen 2.926 N/A ARG 368.A N ILE 364.A O no hydrogen 3.046 N/A ARG 368.A NE ASP 334.A OD1 no hydrogen 2.484 N/A ARG 368.A NH1 SER 415.A OG no hydrogen 2.796 N/A ARG 368.A NH2 ASP 334.A OD2 no hydrogen 2.925 N/A ARG 368.A NH2 SER 415.A OG no hydrogen 3.399 N/A SER 369.A N ASP 365.A O no hydrogen 3.115 N/A SER 369.A OG HIS 366.A O no hydrogen 2.633 N/A LEU 370.A N LEU 367.A O no hydrogen 3.266 N/A GLN 371.A N ARG 368.A O no hydrogen 2.899 N/A LYS 373.A NZ ASP 421.A OD2 no hydrogen 3.465 N/A TYR 374.A N GLN 371.A O no hydrogen 3.314 N/A VAL 375.A N HIS 418.A O no hydrogen 2.933 N/A THR 376.A N HIS 418.A O no hydrogen 3.445 N/A SER 378.A N GLY 416.A O no hydrogen 2.946 N/A SER 378.A OG THR 424.A O no hydrogen 2.990 N/A THR 381.A OG1 ASP 365.A OD1 no hydrogen 2.700 N/A ILE 382.A N ASP 414.A O no hydrogen 2.895 N/A SER 383.A OG GLU 357.A O no hydrogen 2.883 N/A ALA 384.A N LEU 412.A O no hydrogen 2.958 N/A VAL 385.A N GLU 357.A OE2 no hydrogen 2.957 N/A GLY 386.A N VAL 410.A O no hydrogen 3.179 N/A HIS 388.A N VAL 385.A O no hydrogen 3.213 N/A HIS 388.A ND1 GLU 357.A OE2 no hydrogen 2.592 N/A ALA 389.A N GLY 386.A O no hydrogen 3.139 N/A ALA 390.A N ASP 387.A O no hydrogen 3.136 N/A LEU 391.A N HIS 388.A O no hydrogen 3.058 N/A HIS 393.A ND1 TYR 80.A OH no hydrogen 2.782 N/A TYR 394.A N LEU 391.A O no hydrogen 3.050 N/A TYR 394.A OH GLU 357.A OE1 no hydrogen 2.591 N/A TYR 394.A OH SER 400.A OG no hydrogen 2.703 N/A LYS 395.A NZ ASP 380.A O no hydrogen 2.520 N/A SER 400.A OG TYR 394.A OH no hydrogen 2.703 N/A GLY 401.A N GLY 398.A O no hydrogen 3.263 N/A ASN 402.A N GLU 399.A O no hydrogen 3.217 N/A ARG 403.A N SER 400.A O no hydrogen 3.136 N/A ARG 403.A NH1 VAL 385.A O no hydrogen 2.941 N/A ARG 403.A NH1 ASP 387.A OD1 no hydrogen 2.934 N/A ARG 403.A NH2 ASP 387.A OD1 no hydrogen 3.460 N/A ALA 405.A N TYR 355.A O no hydrogen 2.791 N/A GLN 409.A N ALA 406.A O no hydrogen 3.112 N/A PHE 411.A N VAL 430.A O no hydrogen 2.934 N/A LEU 412.A N ALA 384.A O no hydrogen 2.907 N/A LEU 413.A N ARG 428.A O no hydrogen 2.934 N/A ASP 414.A N ILE 382.A O no hydrogen 2.902 N/A SER 415.A N VAL 426.A O no hydrogen 2.937 N/A ALA 417.A N THR 424.A OG1 no hydrogen 2.911 N/A HIS 418.A N THR 376.A O no hydrogen 2.669 N/A HIS 418.A ND1 THR 423.A OG1 no hydrogen 2.743 N/A HIS 418.A NE2 TYR 221.A O no hydrogen 2.869 N/A TYR 419.A N GLY 422.A O no hydrogen 2.746 N/A TYR 419.A OH ASP 334.A OD1 no hydrogen 2.709 N/A GLY 420.A N LYS 373.A O no hydrogen 2.867 N/A GLY 422.A N TYR 419.A O no hydrogen 3.204 N/A THR 423.A OG1 HIS 418.A ND1 no hydrogen 2.743 N/A THR 423.A OG1 LEU 494.A O no hydrogen 3.343 N/A THR 424.A N ALA 417.A O no hydrogen 2.961 N/A THR 424.A OG1 ASP 334.A OD1 no hydrogen 3.162 N/A THR 424.A OG1 ALA 417.A O no hydrogen 3.463 N/A VAL 426.A N SER 415.A O no hydrogen 2.923 N/A THR 427.A N GLU 535.A O no hydrogen 3.282 N/A THR 427.A OG1 GLU 535.A OE1 no hydrogen 2.675 N/A ARG 428.A N LEU 413.A O no hydrogen 2.976 N/A ARG 428.A NE VAL 561.A O no hydrogen 3.339 N/A ARG 428.A NE PRO 562.A O no hydrogen 3.083 N/A ARG 428.A NH1 THR 427.A O no hydrogen 3.028 N/A ARG 428.A NH1 GLU 535.A O no hydrogen 2.998 N/A ARG 428.A NH1 ASN 536.A OD1 no hydrogen 3.002 N/A ARG 428.A NH2 ASN 536.A OD1 no hydrogen 2.658 N/A ARG 428.A NH2 VAL 561.A O no hydrogen 2.848 N/A THR 429.A OG1 ARG 533.A O no hydrogen 2.856 N/A VAL 430.A N PHE 411.A O no hydrogen 2.870 N/A TRP 431.A N GLN 564.A OE1 no hydrogen 2.850 N/A THR 433.A N ALA 407.A O no hydrogen 2.844 N/A ILE 440.A N PRO 436.A O no hydrogen 3.182 N/A LEU 441.A N LYS 437.A O no hydrogen 2.988 N/A HIS 442.A N GLU 438.A O no hydrogen 3.009 N/A HIS 442.A ND1 TYR 530.A OH no hydrogen 2.752 N/A ASN 443.A N PHE 439.A O no hydrogen 2.733 N/A THR 444.A N ILE 440.A O no hydrogen 2.998 N/A THR 444.A OG1 ILE 440.A O no hydrogen 2.669 N/A LEU 445.A N LEU 441.A O no hydrogen 3.004 N/A VAL 446.A N HIS 442.A O no hydrogen 2.987 N/A LEU 447.A N ASN 443.A O no hydrogen 2.937 N/A LYS 448.A N THR 444.A O no hydrogen 2.818 N/A LYS 448.A NZ LEU 572.A O no hydrogen 2.935 N/A LYS 448.A NZ GLU 577.A OE1 no hydrogen 2.614 N/A LYS 448.A NZ GLU 577.A OE2 no hydrogen 3.245 N/A GLY 449.A N LEU 445.A O no hydrogen 3.003 N/A HIS 450.A N VAL 446.A O no hydrogen 2.864 N/A HIS 450.A ND1 ILE 534.A O no hydrogen 2.873 N/A HIS 450.A NE2 TYR 538.A OH no hydrogen 2.650 N/A ILE 451.A N LEU 447.A O no hydrogen 2.913 N/A ASN 452.A N LYS 448.A O no hydrogen 2.779 N/A ASN 452.A ND2 LEU 470.A O no hydrogen 2.903 N/A LEU 453.A N GLY 449.A O no hydrogen 3.278 N/A ALA 454.A N HIS 450.A O no hydrogen 2.872 N/A ARG 455.A N ILE 451.A O no hydrogen 2.900 N/A ALA 456.A N LEU 453.A O no hydrogen 3.001 N/A PHE 458.A N LEU 553.A O no hydrogen 2.938 N/A ASP 460.A N ASN 551.A O no hydrogen 2.704 N/A GLY 461.A N LEU 512.A O no hydrogen 2.738 N/A ARG 466.A N TYR 463.A O no hydrogen 3.068 N/A LEU 467.A N GLY 464.A O no hydrogen 2.806 N/A ASP 468.A N SER 465.A O no hydrogen 3.307 N/A LEU 470.A N LEU 467.A O no hydrogen 3.285 N/A THR 471.A OG1 ASP 468.A O no hydrogen 3.250 N/A THR 471.A OG1 THR 486.A OG1 no hydrogen 2.661 N/A ARG 472.A N THR 469.A O no hydrogen 2.903 N/A ARG 472.A NE ASP 468.A OD2 no hydrogen 2.816 N/A ARG 472.A NH1 ASP 481.A OD1 no hydrogen 2.919 N/A ARG 472.A NH1 PHE 482.A O no hydrogen 2.992 N/A ARG 472.A NH2 ASP 468.A OD1 no hydrogen 3.089 N/A ARG 472.A NH2 ASP 468.A OD2 no hydrogen 3.374 N/A ARG 472.A NH2 HIS 484.A O no hydrogen 2.700 N/A ASP 473.A N THR 469.A O no hydrogen 3.024 N/A TRP 476.A N ARG 472.A O no hydrogen 2.766 N/A TRP 476.A NE1 ASP 481.A OD2 no hydrogen 2.932 N/A LYS 477.A N ASP 473.A O no hydrogen 3.102 N/A LYS 477.A NZ ASP 473.A OD1 no hydrogen 3.253 N/A LEU 478.A N LEU 475.A O no hydrogen 3.031 N/A GLY 479.A N TRP 476.A O no hydrogen 2.919 N/A LEU 480.A N LEU 475.A O no hydrogen 2.866 N/A PHE 482.A N ASP 481.A OD1 no hydrogen 2.804 N/A HIS 484.A ND1 GLY 485.A O no hydrogen 2.796 N/A HIS 484.A NE2 TYR 525.A OH no hydrogen 2.758 N/A THR 486.A N ASP 468.A OD1 no hydrogen 3.227 N/A THR 486.A OG1 ASP 468.A O no hydrogen 3.269 N/A THR 486.A OG1 ASP 468.A OD1 no hydrogen 2.700 N/A THR 486.A OG1 THR 471.A OG1 no hydrogen 2.661 N/A GLY 487.A N ILE 503.A O no hydrogen 3.037 N/A HIS 488.A N THR 519.A OG1 no hydrogen 3.013 N/A HIS 488.A ND1 GLY 489.A O no hydrogen 2.813 N/A VAL 490.A N VAL 517.A O no hydrogen 3.105 N/A GLY 491.A N ASN 495.A O no hydrogen 2.958 N/A ASN 495.A ND2 ASN 222.A OD1 no hydrogen 2.845 N/A GLU 498.A N GLY 489.A O no hydrogen 2.803 N/A ILE 503.A N GLY 487.A O no hydrogen 2.919 N/A HIS 505.A ND1 ASP 468.A OD2 no hydrogen 3.276 N/A GLU 511.A N GLU 511.A OE1 no hydrogen 2.878 N/A LEU 512.A N ILE 462.A O no hydrogen 2.780 N/A HIS 513.A N GLN 516.A OE1 no hydrogen 2.964 N/A HIS 513.A ND1 ASP 460.A OD1 no hydrogen 2.682 N/A SER 515.A N THR 540.A O no hydrogen 2.943 N/A SER 515.A OG LYS 319.A O no hydrogen 2.601 N/A GLN 516.A N THR 540.A OG1 no hydrogen 2.927 N/A GLN 516.A NE2 THR 318.A OG1 no hydrogen 3.417 N/A GLN 516.A NE2 GLU 511.A O no hydrogen 3.269 N/A LEU 518.A N TYR 538.A O no hydrogen 3.004 N/A THR 519.A N HIS 488.A O no hydrogen 2.772 N/A THR 519.A OG1 HIS 488.A O no hydrogen 3.536 N/A THR 519.A OG1 GLU 521.A OE2 no hydrogen 3.103 N/A ILE 520.A N ASN 536.A O no hydrogen 3.090 N/A GLU 521.A N THR 486.A O no hydrogen 2.734 N/A PHE 524.A N ILE 532.A O no hydrogen 2.859 N/A TYR 525.A OH HIS 484.A NE2 no hydrogen 2.758 N/A ALA 526.A N TYR 530.A O no hydrogen 2.952 N/A LYS 529.A N ALA 526.A O no hydrogen 2.907 N/A TYR 530.A N ALA 526.A O no hydrogen 3.198 N/A TYR 530.A OH HIS 442.A ND1 no hydrogen 2.752 N/A ILE 532.A N PHE 524.A O no hydrogen 2.858 N/A ARG 533.A N THR 429.A OG1 no hydrogen 2.974 N/A ARG 533.A NE ASP 414.A OD2 no hydrogen 3.116 N/A ARG 533.A NH1 TYR 525.A OH no hydrogen 2.957 N/A ARG 533.A NH2 PRO 392.A O no hydrogen 3.009 N/A ARG 533.A NH2 ASP 414.A OD2 no hydrogen 2.482 N/A ILE 534.A N PRO 522.A O no hydrogen 3.285 N/A GLU 535.A N THR 427.A O no hydrogen 3.092 N/A ASN 536.A N ILE 520.A O no hydrogen 3.326 N/A ASN 536.A ND2 TYR 538.A OH no hydrogen 3.149 N/A CYS 537.A N THR 559.A OG1 no hydrogen 2.867 N/A CYS 537.A SG ASP 425.A O no hydrogen 3.218 N/A TYR 538.A N LEU 518.A O no hydrogen 2.794 N/A TYR 538.A OH HIS 450.A NE2 no hydrogen 2.650 N/A GLU 539.A N LYS 556.A O no hydrogen 2.859 N/A THR 540.A N GLN 516.A O no hydrogen 2.938 N/A THR 540.A OG1 HIS 513.A O no hydrogen 2.507 N/A THR 540.A OG1 GLN 516.A O no hydrogen 3.504 N/A VAL 541.A N THR 554.A O no hydrogen 2.905 N/A ALA 543.A N PHE 552.A O no hydrogen 2.787 N/A LYS 548.A N VAL 545.A O no hydrogen 2.925 N/A ALA 549.A N SER 547.A OG no hydrogen 3.013 N/A GLN 550.A NE2 LYS 548.A O no hydrogen 3.238 N/A LEU 553.A N PHE 458.A O no hydrogen 2.644 N/A THR 554.A N VAL 541.A O no hydrogen 2.904 N/A THR 554.A OG1 ALA 456.A O no hydrogen 2.711 N/A PHE 555.A N THR 554.A OG1 no hydrogen 2.757 N/A LYS 556.A N GLU 539.A O no hydrogen 2.886 N/A SER 557.A OG THR 559.A O no hydrogen 2.734 N/A LEU 558.A N CYS 537.A O no hydrogen 2.792 N/A THR 559.A N CYS 537.A O no hydrogen 3.318 N/A LEU 560.A N SER 335.A OG no hydrogen 2.984 N/A VAL 561.A N TYR 584.A OH no hydrogen 3.105 N/A ILE 563.A N HIS 585.A NE2 no hydrogen 2.826 N/A GLN 564.A NE2 TRP 431.A O no hydrogen 2.932 N/A GLN 564.A NE2 SER 566.A OG no hydrogen 2.670 N/A VAL 568.A N THR 565.A O no hydrogen 3.113 N/A ASP 569.A N THR 444.A OG1 no hydrogen 2.785 N/A SER 571.A N ASP 569.A OD1 no hydrogen 3.126 N/A SER 571.A OG ASP 569.A OD1 no hydrogen 2.870 N/A LEU 572.A N ASP 569.A O no hydrogen 3.071 N/A LEU 573.A N LYS 570.A O no hydrogen 2.950 N/A ILE 574.A N GLU 577.A OE1 no hydrogen 3.053 N/A GLU 576.A N GLU 576.A OE1 no hydrogen 2.690 N/A GLU 577.A N ILE 574.A O no hydrogen 2.982 N/A ILE 578.A N ILE 574.A O no hydrogen 3.186 N/A ASN 579.A N GLU 575.A O no hydrogen 2.914 N/A TRP 580.A N GLU 576.A O no hydrogen 3.181 N/A LEU 581.A N GLU 577.A O no hydrogen 3.058 N/A ASN 582.A N ILE 578.A O no hydrogen 2.925 N/A GLN 583.A N ASN 579.A O no hydrogen 2.920 N/A TYR 584.A N TRP 580.A O no hydrogen 2.820 N/A TYR 584.A OH THR 559.A O no hydrogen 2.695 N/A TYR 584.A OH VAL 561.A O no hydrogen 3.295 N/A HIS 585.A N LEU 581.A O no hydrogen 2.946 N/A ALA 586.A N ASN 582.A O no hydrogen 2.911 N/A ARG 587.A N GLN 583.A O no hydrogen 2.969 N/A ARG 587.A NE GLU 591.A OE2 no hydrogen 2.720 N/A ARG 587.A NH1 SER 557.A O no hydrogen 2.811 N/A ARG 587.A NH2 SER 557.A O no hydrogen 3.297 N/A ARG 587.A NH2 GLU 591.A OE2 no hydrogen 3.549 N/A VAL 588.A N TYR 584.A O no hydrogen 2.832 N/A LEU 589.A N HIS 585.A O no hydrogen 2.977 N/A LYS 590.A N ALA 586.A O no hydrogen 3.085 N/A GLU 591.A N ARG 587.A O no hydrogen 2.915 N/A VAL 592.A N VAL 588.A O no hydrogen 2.925 N/A GLU 594.A N LYS 590.A O no hydrogen 3.175 N/A HIS 595.A N GLU 591.A O no hydrogen 3.322 N/A LEU 596.A N VAL 592.A O no hydrogen 2.764 N/A GLN 597.A N GLY 593.A O no hydrogen 2.823 N/A LYS 598.A N GLU 594.A O no hydrogen 2.873 N/A ARG 599.A NH1 HIS 595.A O no hydrogen 3.079 N/A LYS 601.A NZ GLU 340.A OE1 no hydrogen 3.157 N/A THR 602.A N GLY 600.A O no hydrogen 2.665 N/A GLU 604.A N GLU 604.A OE1 no hydrogen 2.665 N/A LEU 605.A N LYS 601.A O no hydrogen 3.151 N/A LYS 606.A N THR 602.A O no hydrogen 3.412 N/A TRP 607.A N ASP 603.A O no hydrogen 3.242 N/A TRP 607.A NE1 GLU 346.A OE1 no hydrogen 2.939 N/A LEU 608.A N GLU 604.A O no hydrogen 2.738 N/A ALA 609.A N LEU 605.A O no hydrogen 2.954 N/A GLU 610.A N LYS 606.A O no hydrogen 3.239 N/A ALA 611.A N TRP 607.A O no hydrogen 2.921 N/A CYS 612.A N LEU 608.A O no hydrogen 2.934 N/A CYS 612.A SG HIS 585.A O no hydrogen 3.299 N/A CYS 612.A SG LEU 608.A O no hydrogen 3.310 N/A LYS 613.A N GLU 610.A O no hydrogen 3.277 N/A LYS 613.A NZ GLU 610.A OE2 no hydrogen 3.263 N/A ILE 615.A N ASN 582.A OD1 no hydrogen 2.495 N/A