Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8df5_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 5.A OE1 no hydrogen 3.027 N/A THR 2.A OG1 GLU 5.A OE1 no hydrogen 3.295 N/A GLU 5.A N THR 2.A OG1 no hydrogen 3.014 N/A GLN 6.A N THR 2.A O no hydrogen 3.053 N/A GLN 6.A NE2 SER 1.A O no hydrogen 3.219 N/A ALA 7.A N ILE 3.A O no hydrogen 2.864 N/A LYS 8.A N GLU 4.A O no hydrogen 2.898 N/A THR 9.A N GLU 5.A O no hydrogen 3.020 N/A THR 9.A OG1 GLU 5.A O no hydrogen 3.059 N/A PHE 10.A N GLN 6.A O no hydrogen 2.910 N/A LEU 11.A N ALA 7.A O no hydrogen 2.875 N/A ASP 12.A N LYS 8.A O no hydrogen 2.931 N/A LYS 13.A N THR 9.A O no hydrogen 3.081 N/A PHE 14.A N PHE 10.A O no hydrogen 2.851 N/A ASN 15.A N LEU 11.A O no hydrogen 2.819 N/A HIS 16.A N ASP 12.A O no hydrogen 3.087 N/A GLU 17.A N LYS 13.A O no hydrogen 3.006 N/A ALA 18.A N PHE 14.A O no hydrogen 2.754 N/A GLU 19.A N ASN 15.A O no hydrogen 2.950 N/A LEU 21.A N GLU 17.A O no hydrogen 3.095 N/A PHE 22.A N ALA 18.A O no hydrogen 2.780 N/A TYR 23.A N GLU 19.A O no hydrogen 2.915 N/A TYR 23.A OH ASP 330.A OD2 no hydrogen 2.591 N/A GLN 24.A N ASP 20.A O no hydrogen 3.008 N/A SER 25.A N LEU 21.A O no hydrogen 2.959 N/A SER 26.A N PHE 22.A O no hydrogen 2.851 N/A SER 26.A OG PHE 22.A O no hydrogen 2.847 N/A LEU 27.A N TYR 23.A O no hydrogen 2.895 N/A ALA 28.A N GLN 24.A O no hydrogen 2.996 N/A SER 29.A N SER 25.A O no hydrogen 2.916 N/A TRP 30.A N SER 26.A O no hydrogen 2.866 N/A ASN 31.A N LEU 27.A O no hydrogen 2.884 N/A TYR 32.A N ALA 28.A O no hydrogen 3.027 N/A ASN 33.A N SER 29.A O no hydrogen 2.924 N/A ASN 33.A ND2 SER 29.A O no hydrogen 2.684 N/A THR 34.A N TRP 30.A O no hydrogen 3.036 N/A THR 34.A OG1 TRP 30.A O no hydrogen 2.360 N/A ASN 35.A N TYR 32.A O no hydrogen 2.911 N/A ILE 36.A N LYS 316.A O no hydrogen 3.043 N/A ASN 40.A N THR 37.A OG1 no hydrogen 3.030 N/A ASN 40.A ND2 ASN 31.A O no hydrogen 2.864 N/A ASN 40.A ND2 ASN 35.A O no hydrogen 2.943 N/A VAL 41.A N THR 37.A O no hydrogen 2.848 N/A GLN 42.A N GLU 38.A O no hydrogen 2.940 N/A GLN 42.A NE2 GLU 38.A OE2 no hydrogen 3.075 N/A ASN 43.A N GLU 39.A O no hydrogen 2.970 N/A MET 44.A N ASN 40.A O no hydrogen 2.912 N/A ASN 45.A N VAL 41.A O no hydrogen 2.856 N/A ASN 46.A N GLN 42.A O no hydrogen 2.873 N/A ALA 47.A N ASN 43.A O no hydrogen 2.939 N/A GLY 48.A N MET 44.A O no hydrogen 2.912 N/A ASP 49.A N ASN 45.A O no hydrogen 2.862 N/A LYS 50.A N ASN 46.A O no hydrogen 2.937 N/A TRP 51.A N ALA 47.A O no hydrogen 2.927 N/A SER 52.A N GLY 48.A O no hydrogen 2.916 N/A SER 52.A OG GLY 48.A O no hydrogen 3.049 N/A ALA 53.A N ASP 49.A O no hydrogen 2.918 N/A PHE 54.A N LYS 50.A O no hydrogen 2.962 N/A LEU 55.A N TRP 51.A O no hydrogen 2.937 N/A LYS 56.A N SER 52.A O no hydrogen 2.909 N/A GLU 57.A N ALA 53.A O no hydrogen 2.999 N/A GLN 58.A N PHE 54.A O no hydrogen 2.833 N/A SER 59.A N LEU 55.A O no hydrogen 2.853 N/A SER 59.A OG LEU 82.A O no hydrogen 2.513 N/A THR 60.A N LYS 56.A O no hydrogen 3.032 N/A THR 60.A OG1 LYS 56.A O no hydrogen 3.391 N/A LEU 61.A N GLU 57.A O no hydrogen 2.958 N/A ALA 62.A N GLN 58.A O no hydrogen 2.835 N/A GLN 63.A N SER 59.A O no hydrogen 2.992 N/A MET 64.A N LEU 61.A O no hydrogen 2.992 N/A TYR 65.A N ALA 62.A O no hydrogen 3.137 N/A GLN 68.A N GLN 68.A OE1 no hydrogen 2.943 N/A GLU 69.A N PRO 66.A O no hydrogen 3.202 N/A ILE 70.A N LEU 67.A O no hydrogen 2.697 N/A GLN 71.A N GLU 4.A OE1 no hydrogen 2.987 N/A ASN 72.A N GLU 4.A OE1 no hydrogen 2.859 N/A VAL 75.A N ASN 72.A OD1 no hydrogen 3.081 N/A LYS 76.A N ASN 72.A O no hydrogen 3.035 N/A LEU 77.A N LEU 73.A O no hydrogen 2.876 N/A GLN 78.A N THR 74.A O no hydrogen 3.041 N/A LEU 79.A N VAL 75.A O no hydrogen 2.949 N/A GLN 80.A N LYS 76.A O no hydrogen 2.839 N/A ALA 81.A N LEU 77.A O no hydrogen 2.933 N/A LEU 82.A N GLN 78.A O no hydrogen 3.055 N/A LEU 82.A N LEU 79.A O no hydrogen 3.050 N/A GLN 83.A N LEU 79.A O no hydrogen 2.812 N/A GLN 83.A NE2 ALA 62.A O no hydrogen 2.715 N/A GLN 83.A NE2 TYR 65.A O no hydrogen 2.750 N/A SER 88.A N ASN 85.A O no hydrogen 3.370 N/A SER 88.A OG ASN 85.A O no hydrogen 2.905 N/A VAL 89.A N GLY 86.A O no hydrogen 2.981 N/A LEU 90.A N SER 87.A O no hydrogen 2.963 N/A LYS 94.A N SER 91.A OG no hydrogen 2.998 N/A LYS 94.A NZ GLU 164.A OE1 no hydrogen 2.404 N/A SER 95.A N SER 91.A O no hydrogen 2.792 N/A SER 95.A OG SER 91.A O no hydrogen 2.899 N/A SER 95.A OG GLU 92.A O no hydrogen 2.980 N/A LYS 96.A N GLU 92.A O no hydrogen 2.916 N/A ARG 97.A N ASP 93.A O no hydrogen 2.927 N/A ARG 97.A NE GLU 157.A OE2 no hydrogen 2.829 N/A LEU 98.A N LYS 94.A O no hydrogen 2.888 N/A ASN 99.A N SER 95.A O no hydrogen 2.916 N/A ASN 99.A ND2 SER 95.A O no hydrogen 2.168 N/A THR 100.A N LYS 96.A O no hydrogen 2.906 N/A THR 100.A OG1 LYS 96.A O no hydrogen 2.959 N/A ILE 101.A N ARG 97.A O no hydrogen 2.851 N/A LEU 102.A N LEU 98.A O no hydrogen 2.880 N/A ASN 103.A N ASN 99.A O no hydrogen 2.855 N/A THR 104.A N THR 100.A O no hydrogen 2.846 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.934 N/A MET 105.A N ILE 101.A O no hydrogen 2.880 N/A SER 106.A N LEU 102.A O no hydrogen 3.000 N/A SER 106.A OG ASN 483.A OD1 no hydrogen 2.495 N/A THR 107.A N ASN 103.A O no hydrogen 2.829 N/A THR 107.A OG1 THR 104.A O no hydrogen 3.066 N/A ILE 108.A N THR 104.A O no hydrogen 2.924 N/A TYR 109.A N MET 105.A O no hydrogen 2.985 N/A SER 110.A N SER 106.A O no hydrogen 2.963 N/A SER 110.A OG SER 106.A O no hydrogen 2.898 N/A SER 110.A OG THR 107.A O no hydrogen 3.178 N/A THR 111.A N THR 107.A O no hydrogen 2.875 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.545 N/A VAL 114.A N LEU 117.A O no hydrogen 2.965 N/A LEU 117.A N VAL 114.A O no hydrogen 2.879 N/A ASN 124.A N LEU 119.A O no hydrogen 3.033 N/A ASN 124.A ND2 GLU 120.A OE1 no hydrogen 2.523 N/A GLU 125.A N PRO 121.A O no hydrogen 2.876 N/A ILE 126.A N GLY 122.A O no hydrogen 3.012 N/A MET 127.A N LEU 123.A O no hydrogen 2.876 N/A ALA 128.A N ASN 124.A O no hydrogen 2.878 N/A ALA 128.A N GLU 125.A O no hydrogen 3.280 N/A ASN 129.A N GLU 125.A O no hydrogen 2.944 N/A SER 130.A N ILE 126.A O no hydrogen 2.862 N/A ASN 134.A N ASP 132.A OD1 no hydrogen 2.844 N/A ASN 134.A ND2 ASP 132.A OD1 no hydrogen 2.884 N/A ARG 136.A N ASP 132.A O no hydrogen 3.112 N/A ARG 136.A NE HIS 240.A O no hydrogen 2.691 N/A ARG 136.A NH1 MET 127.A O no hydrogen 2.883 N/A ARG 136.A NH1 SER 130.A O no hydrogen 2.983 N/A ARG 136.A NH2 MET 127.A O no hydrogen 2.912 N/A ARG 136.A NH2 HIS 240.A O no hydrogen 3.270 N/A LEU 137.A N TYR 133.A O no hydrogen 2.880 N/A TRP 138.A N ASN 134.A O no hydrogen 2.862 N/A ALA 139.A N GLU 135.A O no hydrogen 2.995 N/A TRP 140.A N ARG 136.A O no hydrogen 2.971 N/A GLU 141.A N LEU 137.A O no hydrogen 2.950 N/A SER 142.A N TRP 138.A O no hydrogen 2.793 N/A TRP 143.A N ALA 139.A O no hydrogen 2.969 N/A TRP 143.A NE1 SER 477.A O no hydrogen 3.127 N/A ARG 144.A N TRP 140.A O no hydrogen 3.023 N/A ARG 144.A NH1 MET 245.A O no hydrogen 2.795 N/A ARG 144.A NH2 MET 245.A O no hydrogen 3.135 N/A SER 145.A N GLU 141.A O no hydrogen 2.908 N/A GLU 146.A N SER 142.A O no hydrogen 2.850 N/A VAL 147.A N TRP 143.A O no hydrogen 2.962 N/A LYS 149.A N SER 145.A O no hydrogen 2.886 N/A GLN 150.A NE2 GLU 146.A O no hydrogen 2.736 N/A LEU 151.A N VAL 147.A O no hydrogen 2.941 N/A ARG 152.A N GLY 148.A O no hydrogen 2.882 N/A ARG 152.A NE GLU 156.A OE2 no hydrogen 2.791 N/A ARG 152.A NH1 GLU 470.A OE1 no hydrogen 3.276 N/A ARG 152.A NH1 TYR 472.A O no hydrogen 3.359 N/A ARG 152.A NH2 GLU 156.A OE2 no hydrogen 3.554 N/A ARG 152.A NH2 LYS 445.A O no hydrogen 3.020 N/A ARG 152.A NH2 GLU 470.A OE1 no hydrogen 3.484 N/A TYR 155.A N LEU 151.A O no hydrogen 2.652 N/A GLU 156.A N ARG 152.A O no hydrogen 2.957 N/A GLU 157.A N PRO 153.A O no hydrogen 3.058 N/A TYR 158.A N LEU 154.A O no hydrogen 2.828 N/A TYR 158.A OH ASP 484.A OD1 no hydrogen 2.376 N/A VAL 159.A N TYR 155.A O no hydrogen 2.840 N/A VAL 160.A N GLU 156.A O no hydrogen 3.053 N/A LEU 161.A N GLU 157.A O no hydrogen 2.985 N/A LYS 162.A N TYR 158.A O no hydrogen 2.876 N/A LYS 162.A NZ TYR 174.A OH no hydrogen 2.481 N/A LYS 162.A NZ ASP 484.A OD2 no hydrogen 2.897 N/A ASN 163.A N VAL 159.A O no hydrogen 2.974 N/A ASN 163.A ND2 PHE 439.A O no hydrogen 2.954 N/A GLU 164.A N VAL 160.A O no hydrogen 2.986 N/A MET 165.A N LEU 161.A O no hydrogen 2.960 N/A ALA 166.A N LYS 162.A O no hydrogen 2.923 N/A ARG 167.A N ASN 163.A O no hydrogen 2.946 N/A ALA 168.A N GLU 164.A O no hydrogen 2.900 N/A ASN 169.A N MET 165.A O no hydrogen 3.106 N/A ASN 169.A N ALA 166.A O no hydrogen 3.034 N/A ASN 169.A ND2 GLY 86.A O no hydrogen 3.566 N/A ASN 169.A ND2 MET 165.A O no hydrogen 2.914 N/A HIS 170.A N ARG 167.A O no hydrogen 3.075 N/A TYR 171.A N ALA 166.A O no hydrogen 2.898 N/A GLU 172.A N ASP 176.A OD2 no hydrogen 2.981 N/A TYR 174.A N ASN 163.A OD1 no hydrogen 2.690 N/A TYR 174.A OH ASP 484.A OD1 no hydrogen 2.789 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 2.554 N/A TYR 177.A N ASP 173.A O no hydrogen 2.817 N/A TRP 178.A N TYR 174.A O no hydrogen 2.918 N/A ARG 179.A N GLY 175.A O no hydrogen 2.851 N/A GLY 180.A N ASP 176.A O no hydrogen 3.011 N/A GLY 180.A N TYR 177.A O no hydrogen 3.134 N/A ASP 181.A N TRP 178.A O no hydrogen 2.860 N/A TYR 182.A N ARG 179.A O no hydrogen 3.073 N/A TYR 182.A OH GLU 373.A OE2 no hydrogen 2.746 N/A TYR 182.A OH THR 492.A OG1 no hydrogen 2.660 N/A GLU 183.A N GLY 180.A O no hydrogen 3.097 N/A VAL 184.A N TYR 192.A O no hydrogen 2.844 N/A ASN 185.A ND2 GLU 183.A OE2 no hydrogen 3.218 N/A VAL 187.A N ASP 191.A OD1 no hydrogen 3.049 N/A TYR 190.A N VAL 187.A O no hydrogen 2.965 N/A TYR 190.A OH GLU 546.A OE1 no hydrogen 2.466 N/A TYR 192.A N VAL 184.A O no hydrogen 2.967 N/A TYR 192.A OH ASP 200.A OD2 no hydrogen 2.705 N/A ARG 194.A NE ASP 176.A OD1 no hydrogen 2.699 N/A ARG 194.A NE ASP 176.A OD2 no hydrogen 3.090 N/A ARG 194.A NH1 GLU 183.A OE1 no hydrogen 2.813 N/A ARG 194.A NH2 ASP 176.A OD2 no hydrogen 2.760 N/A GLN 196.A N SER 193.A OG no hydrogen 3.056 N/A GLN 196.A NE2 GLU 199.A OE1 no hydrogen 3.551 N/A GLN 196.A NE2 ASP 200.A OD1 no hydrogen 2.858 N/A GLU 199.A N GLY 195.A O no hydrogen 3.269 N/A ASP 200.A N GLN 196.A O no hydrogen 2.862 N/A VAL 201.A N LEU 197.A O no hydrogen 2.869 N/A GLU 202.A N ILE 198.A O no hydrogen 2.952 N/A HIS 203.A N GLU 199.A O no hydrogen 2.876 N/A THR 204.A N ASP 200.A O no hydrogen 2.907 N/A THR 204.A OG1 ASP 200.A O no hydrogen 3.484 N/A THR 204.A OG1 VAL 201.A O no hydrogen 3.102 N/A THR 204.A OG1 TYR 491.A OH no hydrogen 2.314 N/A PHE 205.A N VAL 201.A O no hydrogen 2.893 N/A GLU 206.A N GLU 202.A O no hydrogen 2.894 N/A GLU 207.A N HIS 203.A O no hydrogen 3.074 N/A ILE 208.A N THR 204.A O no hydrogen 2.916 N/A LYS 209.A N PHE 205.A O no hydrogen 2.937 N/A TYR 212.A N ILE 208.A O no hydrogen 3.181 N/A TYR 212.A OH VAL 460.A O no hydrogen 2.987 N/A GLU 213.A N LYS 209.A O no hydrogen 2.901 N/A HIS 214.A N PRO 210.A O no hydrogen 2.990 N/A LEU 215.A N LEU 211.A O no hydrogen 2.955 N/A HIS 216.A N TYR 212.A O no hydrogen 2.827 N/A HIS 216.A NE2 GLY 461.A O no hydrogen 2.952 N/A ALA 217.A N GLU 213.A O no hydrogen 2.972 N/A TYR 218.A N HIS 214.A O no hydrogen 2.984 N/A TYR 218.A OH THR 257.A O no hydrogen 2.551 N/A VAL 219.A N LEU 215.A O no hydrogen 2.896 N/A ARG 220.A N HIS 216.A O no hydrogen 2.860 N/A ARG 220.A NH1 GLY 235.A O no hydrogen 2.882 N/A ARG 220.A NH1 GLY 580.A O no hydrogen 2.905 N/A ARG 220.A NH2 GLY 580.A O no hydrogen 3.045 N/A ALA 221.A N ALA 217.A O no hydrogen 2.994 N/A LYS 222.A N TYR 218.A O no hydrogen 2.983 N/A LEU 223.A N VAL 219.A O no hydrogen 2.850 N/A MET 224.A N ARG 220.A O no hydrogen 2.899 N/A ASN 225.A N ALA 221.A O no hydrogen 3.022 N/A ALA 226.A N LYS 222.A O no hydrogen 2.979 N/A TYR 227.A N LEU 223.A O no hydrogen 2.384 N/A GLY 235.A N SER 232.A O no hydrogen 3.466 N/A CYS 236.A SG ARG 457.A O no hydrogen 3.459 N/A CYS 236.A SG SER 582.A O no hydrogen 3.787 N/A LEU 237.A N GLY 461.A O no hydrogen 3.048 N/A ALA 239.A N VAL 463.A O no hydrogen 2.960 N/A LEU 241.A N PRO 238.A O no hydrogen 3.237 N/A TRP 246.A N ASP 244.A OD1 no hydrogen 2.659 N/A TRP 246.A NE1 SER 477.A O no hydrogen 2.879 N/A GLY 247.A N ASP 244.A OD1 no hydrogen 2.847 N/A ARG 248.A N ASP 244.A OD1 no hydrogen 3.278 N/A PHE 249.A N ASP 244.A OD2 no hydrogen 3.004 N/A TRP 250.A N LEU 419.A O no hydrogen 2.908 N/A THR 251.A OG1 THR 420.A OG1 no hydrogen 2.805 N/A ASN 252.A ND2 GLY 243.A O no hydrogen 2.805 N/A LEU 253.A N TRP 250.A O no hydrogen 3.018 N/A TYR 254.A N THR 251.A O no hydrogen 2.938 N/A LEU 256.A N LEU 253.A O no hydrogen 2.899 N/A THR 257.A N TYR 254.A O no hydrogen 2.955 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.353 N/A VAL 258.A N TYR 254.A O no hydrogen 2.758 N/A PHE 260.A N ASN 412.A OD1 no hydrogen 3.045 N/A LYS 263.A N PHE 260.A O no hydrogen 3.100 N/A LYS 263.A NZ ASP 406.A OD2 no hydrogen 2.755 N/A LYS 263.A NZ GLU 408.A OE1 no hydrogen 2.972 N/A THR 269.A N ASP 267.A OD1 no hydrogen 3.221 N/A THR 269.A OG1 ASP 267.A OD1 no hydrogen 2.728 N/A MET 272.A N VAL 268.A O no hydrogen 2.681 N/A VAL 273.A N THR 269.A O no hydrogen 2.930 N/A ASP 274.A N ASP 270.A O no hydrogen 2.884 N/A GLN 275.A N ALA 271.A O no hydrogen 3.131 N/A GLN 275.A NE2 GLY 397.A O no hydrogen 2.938 N/A ALA 276.A N VAL 273.A O no hydrogen 2.951 N/A TRP 277.A N MET 272.A O no hydrogen 3.007 N/A ARG 281.A N ASP 278.A OD1 no hydrogen 2.853 N/A ARG 281.A NE GLU 285.A OE2 no hydrogen 2.830 N/A ARG 281.A NH2 GLU 285.A OE2 no hydrogen 3.129 N/A ILE 282.A N ASP 278.A O no hydrogen 3.057 N/A PHE 283.A N ALA 279.A O no hydrogen 2.951 N/A LYS 284.A N GLN 280.A O no hydrogen 2.892 N/A GLU 285.A N ARG 281.A O no hydrogen 2.884 N/A ALA 286.A N ILE 282.A O no hydrogen 2.981 N/A GLU 287.A N PHE 283.A O no hydrogen 2.924 N/A LYS 288.A N LYS 284.A O no hydrogen 2.844 N/A PHE 289.A N GLU 285.A O no hydrogen 2.896 N/A PHE 290.A N ALA 286.A O no hydrogen 3.022 N/A VAL 291.A N GLU 287.A O no hydrogen 2.893 N/A SER 292.A N LYS 288.A O no hydrogen 2.888 N/A SER 292.A N PHE 289.A O no hydrogen 3.050 N/A VAL 293.A N PHE 290.A O no hydrogen 3.306 N/A GLY 294.A N VAL 291.A O no hydrogen 2.900 N/A LEU 295.A N PHE 290.A O no hydrogen 3.247 N/A MET 298.A N GLU 287.A OE2 no hydrogen 3.068 N/A PHE 302.A N THR 299.A OG1 no hydrogen 2.899 N/A TRP 303.A N THR 299.A O no hydrogen 3.411 N/A TRP 303.A NE1 GLU 287.A OE2 no hydrogen 3.002 N/A GLU 304.A N GLN 300.A O no hydrogen 2.983 N/A ASN 305.A N GLY 301.A O no hydrogen 2.819 N/A SER 306.A N PHE 302.A O no hydrogen 3.093 N/A SER 306.A OG PHE 302.A O no hydrogen 2.753 N/A MET 307.A N ILE 333.A O no hydrogen 3.182 N/A THR 309.A OG1 ASP 310.A O no hydrogen 3.360 N/A GLY 312.A N ASP 310.A OD1 no hydrogen 2.700 N/A VAL 318.A N ASN 33.A O no hydrogen 2.812 N/A CYS 319.A SG ALA 317.A O no hydrogen 3.838 N/A THR 322.A N LEU 334.A O no hydrogen 2.963 N/A TRP 324.A N ARG 332.A O no hydrogen 2.841 N/A TRP 324.A NE1 THR 322.A OG1 no hydrogen 2.750 N/A LEU 326.A N ASP 330.A O no hydrogen 2.917 N/A GLY 327.A N ASP 325.A OD1 no hydrogen 3.095 N/A LYS 328.A NZ GLU 19.A OE1 no hydrogen 3.452 N/A ASP 330.A N GLY 327.A O no hydrogen 3.026 N/A ARG 332.A N TRP 324.A O no hydrogen 2.998 N/A ARG 332.A NE ASP 330.A OD1 no hydrogen 3.047 N/A ARG 332.A NE ASP 330.A OD2 no hydrogen 3.305 N/A ARG 332.A NH2 ASP 330.A OD2 no hydrogen 2.844 N/A ILE 333.A N SER 306.A OG no hydrogen 3.093 N/A LEU 334.A N THR 322.A O no hydrogen 2.896 N/A MET 335.A N MET 307.A O no hydrogen 2.855 N/A THR 337.A N LEU 308.A O no hydrogen 3.336 N/A THR 337.A OG1 LEU 308.A O no hydrogen 2.752 N/A LYS 338.A N ASP 343.A OD2 no hydrogen 2.664 N/A LYS 338.A NZ CYS 336.A O no hydrogen 3.428 N/A THR 340.A N LYS 338.A O no hydrogen 2.791 N/A MET 341.A N THR 269.A OG1 no hydrogen 3.009 N/A PHE 344.A N THR 340.A O no hydrogen 3.000 N/A LEU 345.A N MET 341.A O no hydrogen 2.988 N/A THR 346.A N ASP 342.A O no hydrogen 2.854 N/A THR 346.A OG1 ASP 342.A O no hydrogen 2.759 N/A ALA 347.A N ASP 343.A O no hydrogen 2.833 N/A HIS 348.A N PHE 344.A O no hydrogen 3.080 N/A HIS 348.A ND1 PHE 344.A O no hydrogen 2.802 N/A HIS 349.A N LEU 345.A O no hydrogen 2.965 N/A HIS 349.A NE2 GLU 377.A OE1 no hydrogen 2.687 N/A GLU 350.A N THR 346.A O no hydrogen 2.902 N/A MET 351.A N ALA 347.A O no hydrogen 2.907 N/A GLY 352.A N HIS 348.A O no hydrogen 2.897 N/A HIS 353.A N HIS 349.A O no hydrogen 3.044 N/A ILE 354.A N GLU 350.A O no hydrogen 2.960 N/A GLN 355.A N MET 351.A O no hydrogen 2.871 N/A GLN 355.A NE2 PRO 296.A O no hydrogen 2.809 N/A TYR 356.A N GLY 352.A O no hydrogen 2.996 N/A ASP 357.A N HIS 353.A O no hydrogen 2.894 N/A MET 358.A N ILE 354.A O no hydrogen 2.842 N/A ALA 359.A N GLN 355.A O no hydrogen 2.904 N/A TYR 360.A N TYR 356.A O no hydrogen 3.260 N/A TYR 360.A OH HIS 376.A NE2 no hydrogen 3.007 N/A ALA 361.A N MET 358.A O no hydrogen 3.293 N/A GLN 363.A N TYR 360.A O no hydrogen 3.078 N/A GLN 363.A NE2 ARG 534.A O no hydrogen 3.066 N/A LEU 367.A N PRO 364.A O no hydrogen 2.833 N/A ARG 368.A N PHE 365.A O no hydrogen 3.231 N/A ARG 368.A NE GLN 363.A O no hydrogen 2.927 N/A ARG 368.A NH2 GLU 19.A OE2 no hydrogen 2.314 N/A ASN 369.A N LEU 367.A O no hydrogen 3.215 N/A GLY 370.A N ASN 369.A OD1 no hydrogen 2.684 N/A ALA 371.A N TYR 356.A OH no hydrogen 3.229 N/A ASN 372.A ND2 TYR 496.A OH no hydrogen 3.131 N/A GLY 374.A N ASN 372.A OD1 no hydrogen 2.829 N/A PHE 375.A N ASN 372.A O no hydrogen 3.117 N/A HIS 376.A NE2 TYR 360.A OH no hydrogen 3.007 N/A ALA 378.A N GLY 374.A O no hydrogen 3.419 N/A VAL 379.A N PHE 375.A O no hydrogen 2.961 N/A GLY 380.A N HIS 376.A O no hydrogen 2.897 N/A GLU 381.A N GLU 377.A O no hydrogen 2.890 N/A ILE 382.A N ALA 378.A O no hydrogen 3.047 N/A MET 383.A N GLY 380.A O no hydrogen 3.168 N/A SER 384.A OG GLU 381.A O no hydrogen 2.842 N/A LEU 385.A N GLU 381.A O no hydrogen 2.975 N/A SER 386.A N ILE 382.A O no hydrogen 3.019 N/A ALA 387.A N MET 383.A O no hydrogen 2.887 N/A ALA 388.A N SER 384.A O no hydrogen 3.082 N/A THR 389.A OG1 SER 386.A O no hydrogen 3.070 N/A HIS 392.A N THR 389.A O no hydrogen 2.726 N/A HIS 392.A ND1 ASP 518.A OD2 no hydrogen 2.642 N/A LEU 393.A N THR 389.A O no hydrogen 3.213 N/A LYS 394.A N PRO 390.A O no hydrogen 2.944 N/A SER 395.A N LYS 391.A O no hydrogen 2.906 N/A ILE 396.A N HIS 392.A O no hydrogen 2.910 N/A GLY 397.A N LYS 394.A O no hydrogen 3.067 N/A LEU 398.A N LEU 393.A O no hydrogen 2.722 N/A LEU 399.A N LEU 393.A O no hydrogen 3.325 N/A PHE 403.A N SER 400.A O no hydrogen 2.737 N/A GLU 408.A N ASP 406.A OD1 no hydrogen 2.482 N/A THR 409.A N ASP 406.A OD1 no hydrogen 3.366 N/A THR 409.A OG1 ASP 406.A O no hydrogen 2.830 N/A GLU 410.A N ASP 406.A O no hydrogen 3.032 N/A ILE 411.A N ASN 407.A O no hydrogen 2.850 N/A ASN 412.A N GLU 408.A O no hydrogen 2.929 N/A ASN 412.A ND2 PHE 260.A O no hydrogen 2.794 N/A ASN 412.A ND2 LYS 263.A O no hydrogen 3.154 N/A PHE 413.A N THR 409.A O no hydrogen 2.969 N/A LEU 414.A N GLU 410.A O no hydrogen 2.859 N/A LEU 415.A N ILE 411.A O no hydrogen 2.798 N/A LYS 416.A N ASN 412.A O no hydrogen 3.032 N/A GLN 417.A N PHE 413.A O no hydrogen 2.991 N/A ALA 418.A N LEU 414.A O no hydrogen 2.889 N/A LEU 419.A N LEU 415.A O no hydrogen 2.804 N/A THR 420.A N LYS 416.A O no hydrogen 3.096 N/A THR 420.A OG1 THR 251.A OG1 no hydrogen 2.805 N/A THR 420.A OG1 LYS 416.A O no hydrogen 3.107 N/A ILE 421.A N GLN 417.A O no hydrogen 2.870 N/A GLY 423.A N ALA 418.A O no hydrogen 2.845 N/A THR 424.A N THR 420.A O no hydrogen 2.918 N/A THR 424.A OG1 ARG 248.A O no hydrogen 3.110 N/A THR 424.A OG1 THR 428.A OG1 no hydrogen 3.360 N/A LEU 425.A N ILE 421.A O no hydrogen 3.172 N/A LEU 425.A N VAL 422.A O no hydrogen 3.313 N/A THR 428.A N THR 424.A O no hydrogen 2.832 N/A THR 428.A OG1 THR 424.A O no hydrogen 3.074 N/A THR 428.A OG1 THR 424.A OG1 no hydrogen 3.360 N/A TYR 429.A N LEU 425.A O no hydrogen 2.960 N/A TYR 429.A OH GLU 202.A OE2 no hydrogen 3.413 N/A MET 430.A N PRO 426.A O no hydrogen 2.863 N/A LEU 431.A N PHE 427.A O no hydrogen 2.938 N/A GLU 432.A N THR 428.A O no hydrogen 2.979 N/A LYS 433.A N TYR 429.A O no hydrogen 2.872 N/A TRP 434.A N MET 430.A O no hydrogen 2.914 N/A ARG 435.A N LEU 431.A O no hydrogen 3.018 N/A ARG 435.A NE GLU 432.A OE1 no hydrogen 3.171 N/A ARG 435.A NH1 TYR 485.A O no hydrogen 2.966 N/A ARG 435.A NH2 GLU 432.A OE1 no hydrogen 2.754 N/A ARG 435.A NH2 TYR 485.A O no hydrogen 2.748 N/A TRP 436.A N GLU 432.A O no hydrogen 2.825 N/A MET 437.A N LYS 433.A O no hydrogen 2.873 N/A VAL 438.A N TRP 434.A O no hydrogen 2.925 N/A PHE 439.A N ARG 435.A O no hydrogen 2.911 N/A LYS 440.A N TRP 436.A O no hydrogen 2.879 N/A GLY 441.A N VAL 438.A O no hydrogen 3.138 N/A GLU 442.A N MET 437.A O no hydrogen 2.920 N/A LYS 445.A NZ GLU 156.A OE1 no hydrogen 3.544 N/A GLN 447.A N PRO 444.A O no hydrogen 2.829 N/A TRP 448.A N LYS 445.A O no hydrogen 3.004 N/A MET 449.A N GLU 470.A OE1 no hydrogen 2.575 N/A LYS 450.A N GLU 470.A OE2 no hydrogen 3.370 N/A LYS 451.A N GLN 447.A O no hydrogen 2.578 N/A TRP 452.A N TRP 448.A O no hydrogen 3.000 N/A TRP 453.A N MET 449.A O no hydrogen 2.936 N/A TRP 453.A NE1 ASP 474.A OD2 no hydrogen 2.852 N/A GLU 454.A N LYS 450.A O no hydrogen 2.772 N/A MET 455.A N LYS 451.A O no hydrogen 2.689 N/A LYS 456.A N TRP 452.A O no hydrogen 2.747 N/A ARG 457.A N TRP 453.A O no hydrogen 2.700 N/A GLU 458.A N GLU 454.A O no hydrogen 2.878 N/A ILE 459.A N MET 455.A O no hydrogen 2.753 N/A VAL 462.A N LYS 456.A O no hydrogen 2.834 N/A VAL 463.A N LEU 237.A O no hydrogen 2.996 N/A GLU 464.A N GLU 464.A OE1 no hydrogen 2.885 N/A HIS 468.A ND1 ASP 474.A OD2 no hydrogen 2.762 N/A HIS 468.A NE2 GLU 141.A OE1 no hydrogen 2.645 N/A THR 471.A N ASP 469.A OD1 no hydrogen 3.016 N/A THR 471.A OG1 ASP 469.A OD1 no hydrogen 2.593 N/A TYR 472.A N ASP 469.A O no hydrogen 3.471 N/A TYR 472.A OH GLU 141.A OE2 no hydrogen 2.536 N/A SER 477.A N ASP 474.A O no hydrogen 2.955 N/A SER 477.A OG ASP 474.A O no hydrogen 2.555 N/A LEU 478.A N PRO 475.A O no hydrogen 3.250 N/A HIS 480.A NE2 TYR 490.A OH no hydrogen 2.865 N/A VAL 481.A N LEU 478.A O no hydrogen 3.269 N/A SER 482.A N LEU 478.A O no hydrogen 3.139 N/A SER 482.A OG PHE 479.A O no hydrogen 3.474 N/A ASN 483.A N PHE 479.A O no hydrogen 2.740 N/A ASN 483.A ND2 PHE 479.A O no hydrogen 3.402 N/A ASN 483.A ND2 SER 482.A OG no hydrogen 3.005 N/A ASP 484.A N VAL 481.A O no hydrogen 3.454 N/A TYR 485.A N HIS 480.A O no hydrogen 2.872 N/A PHE 487.A N GLU 432.A OE2 no hydrogen 3.041 N/A ILE 488.A N GLU 432.A OE2 no hydrogen 3.244 N/A TYR 490.A N PHE 487.A O no hydrogen 3.055 N/A TYR 490.A OH HIS 480.A NE2 no hydrogen 2.865 N/A TYR 491.A OH THR 204.A OG1 no hydrogen 2.314 N/A THR 492.A N ILE 488.A O no hydrogen 3.131 N/A THR 492.A OG1 TYR 182.A OH no hydrogen 2.660 N/A THR 492.A OG1 ILE 488.A O no hydrogen 3.325 N/A THR 492.A OG1 ARG 489.A O no hydrogen 3.007 N/A ARG 493.A N ARG 489.A O no hydrogen 2.846 N/A ARG 493.A NH2 GLN 497.A OE1 no hydrogen 3.454 N/A THR 494.A N TYR 490.A O no hydrogen 2.937 N/A THR 494.A OG1 TYR 490.A O no hydrogen 2.793 N/A LEU 495.A N TYR 491.A O no hydrogen 3.030 N/A TYR 496.A N THR 492.A O no hydrogen 2.869 N/A GLN 497.A N ARG 493.A O no hydrogen 2.879 N/A PHE 498.A N THR 494.A O no hydrogen 3.488 N/A GLN 499.A N LEU 495.A O no hydrogen 3.019 N/A GLN 499.A NE2 ASN 553.A O no hydrogen 3.182 N/A PHE 500.A N TYR 496.A O no hydrogen 2.838 N/A GLN 501.A N GLN 497.A O no hydrogen 2.959 N/A GLU 502.A N PHE 498.A O no hydrogen 2.910 N/A ALA 503.A N GLN 499.A O no hydrogen 2.986 N/A LEU 504.A N PHE 500.A O no hydrogen 2.910 N/A CYS 505.A N GLN 501.A O no hydrogen 2.894 N/A CYS 505.A SG GLN 501.A O no hydrogen 3.194 N/A GLN 506.A N GLU 502.A O no hydrogen 2.899 N/A ALA 507.A N ALA 503.A O no hydrogen 2.949 N/A ALA 508.A N LEU 504.A O no hydrogen 2.858 N/A LYS 509.A N GLN 506.A O no hydrogen 2.828 N/A HIS 510.A N CYS 505.A O no hydrogen 2.998 N/A HIS 510.A NE2 PRO 513.A O no hydrogen 2.808 N/A LYS 516.A N PRO 513.A O no hydrogen 3.302 N/A CYS 517.A N LEU 514.A O no hydrogen 3.317 N/A ILE 519.A N SER 386.A OG no hydrogen 3.341 N/A SER 520.A N ASP 518.A OD1 no hydrogen 3.091 N/A SER 520.A OG HIS 392.A ND1 no hydrogen 3.065 N/A SER 520.A OG ASP 518.A OD1 no hydrogen 2.607 N/A SER 520.A OG ASP 518.A OD2 no hydrogen 2.876 N/A SER 522.A N ILE 519.A O no hydrogen 3.278 N/A ALA 525.A N SER 522.A OG no hydrogen 2.875 N/A GLY 526.A N SER 522.A O no hydrogen 3.016 N/A GLN 527.A N THR 523.A O no hydrogen 2.851 N/A LYS 528.A N GLU 524.A O no hydrogen 2.949 N/A LEU 529.A N ALA 525.A O no hydrogen 2.921 N/A PHE 530.A N GLY 526.A O no hydrogen 2.868 N/A ASN 531.A N GLN 527.A O no hydrogen 2.955 N/A MET 532.A N LEU 529.A O no hydrogen 3.143 N/A LEU 533.A N LEU 529.A O no hydrogen 2.984 N/A ARG 534.A N PHE 530.A O no hydrogen 2.957 N/A LEU 535.A N MET 532.A O no hydrogen 2.993 N/A GLY 536.A N LEU 533.A O no hydrogen 3.202 N/A LYS 537.A N LEU 367.A O no hydrogen 2.910 N/A SER 538.A N LEU 535.A O no hydrogen 3.049 N/A SER 538.A OG LEU 535.A O no hydrogen 2.633 N/A TRP 541.A NE1 TYR 182.A O no hydrogen 2.784 N/A THR 542.A OG1 TYR 190.A O no hydrogen 2.791 N/A ALA 544.A N PRO 540.A O no hydrogen 2.959 N/A LEU 545.A N TRP 541.A O no hydrogen 2.893 N/A GLU 546.A N THR 542.A O no hydrogen 2.957 N/A ASN 547.A N LEU 543.A O no hydrogen 2.891 N/A ASN 547.A ND2 ASN 531.A O no hydrogen 3.146 N/A VAL 548.A N LEU 545.A O no hydrogen 2.970 N/A VAL 549.A N LEU 545.A O no hydrogen 2.916 N/A GLY 550.A N GLU 546.A O no hydrogen 2.756 N/A LYS 552.A NZ GLY 189.A O no hydrogen 2.774 N/A ASN 555.A N GLN 499.A OE1 no hydrogen 2.848 N/A ARG 557.A N ASN 555.A OD1 no hydrogen 3.022 N/A LEU 560.A N VAL 556.A O no hydrogen 3.193 N/A ASN 561.A N ARG 557.A O no hydrogen 2.884 N/A ASN 561.A ND2 ARG 557.A O no hydrogen 2.235 N/A TYR 562.A N PRO 558.A O no hydrogen 2.884 N/A TYR 562.A OH GLN 417.A OE1 no hydrogen 3.011 N/A PHE 563.A N LEU 559.A O no hydrogen 2.997 N/A GLU 564.A N ASN 561.A O no hydrogen 3.254 N/A PHE 567.A N PHE 563.A O no hydrogen 2.742 N/A THR 568.A N GLU 564.A O no hydrogen 2.927 N/A THR 568.A OG1 GLU 564.A O no hydrogen 2.914 N/A THR 568.A OG1 PRO 565.A O no hydrogen 2.691 N/A TRP 569.A N PRO 565.A O no hydrogen 2.927 N/A LEU 570.A N LEU 566.A O no hydrogen 2.837 N/A LYS 571.A N PHE 567.A O no hydrogen 2.927 N/A ASP 572.A N THR 568.A O no hydrogen 2.942 N/A GLN 573.A N TRP 569.A O no hydrogen 2.942 N/A ASN 574.A N LEU 570.A O no hydrogen 2.825 N/A ASN 574.A ND2 HIS 214.A ND1 no hydrogen 3.140 N/A ASN 574.A ND2 HIS 214.A O no hydrogen 3.173 N/A SER 577.A N ASN 574.A O no hydrogen 2.815 N/A SER 582.A N ILE 234.A O no hydrogen 2.533 N/A THR 583.A OG1 ASP 584.A OD1 no hydrogen 3.371 N/A