Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 30.A OE2 no hydrogen 2.859 N/A MET 3.A N GLN 33.A OE1 no hydrogen 2.784 N/A SER 5.A N GLU 30.A OE1 no hydrogen 3.046 N/A THR 7.A N THR 4.A O no hydrogen 2.991 N/A THR 7.A OG1 THR 4.A O no hydrogen 2.958 N/A ILE 8.A N SER 5.A O no hydrogen 2.907 N/A LEU 11.A N ILE 8.A O no hydrogen 3.091 N/A ALA 14.A N LEU 11.A O no hydrogen 3.471 N/A HIS 18.A NE2 GLY 176.A O no hydrogen 2.945 N/A LEU 21.A N HIS 18.A ND1 no hydrogen 2.928 N/A LEU 22.A N HIS 18.A O no hydrogen 3.149 N/A SER 23.A N GLN 19.A O no hydrogen 2.817 N/A SER 23.A OG GLN 19.A O no hydrogen 3.306 N/A TRP 24.A N GLY 20.A O no hydrogen 3.081 N/A VAL 25.A N LEU 21.A O no hydrogen 2.849 N/A GLU 26.A N LEU 22.A O no hydrogen 2.960 N/A GLU 27.A N SER 23.A O no hydrogen 2.891 N/A VAL 28.A N TRP 24.A O no hydrogen 2.961 N/A ALA 29.A N VAL 25.A O no hydrogen 2.883 N/A GLU 30.A N GLU 26.A O no hydrogen 2.929 N/A LEU 31.A N GLU 27.A O no hydrogen 3.233 N/A THR 32.A N VAL 28.A O no hydrogen 2.864 N/A THR 32.A OG1 VAL 28.A O no hydrogen 3.258 N/A GLN 33.A N ALA 29.A O no hydrogen 2.839 N/A GLN 33.A NE2 MET 3.A O no hydrogen 2.757 N/A GLN 33.A NE2 GLU 30.A O no hydrogen 2.959 N/A ASP 35.A N ARG 125.A O no hydrogen 2.817 N/A VAL 37.A N PRO 9.A O no hydrogen 2.847 N/A VAL 38.A N MET 127.A O no hydrogen 2.927 N/A THR 40.A N VAL 129.A O no hydrogen 2.997 N/A THR 40.A OG1 VAL 129.A O no hydrogen 3.373 N/A ASP 41.A N GLU 46.A OE2 no hydrogen 2.953 N/A GLY 42.A N GLU 46.A OE1 no hydrogen 2.769 N/A SER 43.A N ASP 41.A OD1 no hydrogen 2.918 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 3.004 N/A GLU 46.A N SER 43.A OG no hydrogen 3.081 N/A PHE 47.A N SER 43.A O no hydrogen 2.977 N/A GLN 48.A N GLU 44.A O no hydrogen 3.078 N/A GLN 48.A NE2.A GLU 44.A OE2.A no hydrogen 3.094 N/A GLN 48.A NE2.B GLU 44.A OE2.A no hydrogen 2.572 N/A GLN 48.A NE2.B ASN 70.A OD1 no hydrogen 2.732 N/A ARG 49.A N GLU 45.A O no hydrogen 3.142 N/A ARG 49.A NH2 GLU 45.A OE1 no hydrogen 2.987 N/A ARG 49.A NH2 GLU 45.A OE2 no hydrogen 3.464 N/A LEU 50.A N GLU 46.A O no hydrogen 2.943 N/A CYS 51.A N PHE 47.A O no hydrogen 3.087 N/A CYS 51.A SG PHE 47.A O no hydrogen 3.262 N/A ASP 52.A N GLN 48.A O no hydrogen 2.928 N/A GLN 53.A N ARG 49.A O no hydrogen 3.195 N/A LEU 54.A N LEU 50.A O no hydrogen 2.854 N/A VAL 55.A N CYS 51.A O no hydrogen 2.842 N/A GLU 56.A N ASP 52.A O no hydrogen 2.925 N/A ALA 57.A N GLN 53.A O no hydrogen 2.858 N/A GLY 58.A N VAL 55.A O no hydrogen 3.072 N/A THR 59.A OG1 ALA 197.A O no hydrogen 2.643 N/A PHE 60.A N LEU 54.A O no hydrogen 3.003 N/A ILE 61.A N LEU 73.A O no hydrogen 3.008 N/A LEU 63.A N SER 71.A O no hydrogen 2.841 N/A ASN 64.A N GLY 354.A O no hydrogen 3.015 N/A ASN 64.A ND2 ASP 353.A O no hydrogen 3.017 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.897 N/A LYS 67.A N ASN 64.A O no hydrogen 3.023 N/A HIS 68.A N ASN 64.A O no hydrogen 3.029 N/A ASN 70.A ND2 ASN 342.A OD1 no hydrogen 2.933 N/A SER 71.A OG LYS 69.A O no hydrogen 2.819 N/A TYR 72.A N THR 343.A O no hydrogen 3.013 N/A TYR 72.A OH GLN 48.A OE1.B no hydrogen 3.157 N/A LEU 73.A N ILE 61.A O no hydrogen 3.004 N/A ALA 74.A N PHE 345.A O no hydrogen 2.806 N/A SER 76.A N ASN 347.A OD1 no hydrogen 2.794 N/A SER 76.A OG ASP 77.A O no hydrogen 3.134 N/A SER 76.A OG ASP 80.A O no hydrogen 2.960 N/A SER 79.A N ASP 77.A OD1 no hydrogen 2.823 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 2.680 N/A ASP 80.A N ASP 77.A O no hydrogen 2.874 N/A ARG 83.A NH1 GLU 85.A OE1 no hydrogen 3.455 N/A VAL 84.A N ASN 225.A OD1 no hydrogen 3.294 N/A ARG 87.A N VAL 84.A O no hydrogen 3.063 N/A ARG 87.A NE LYS 204.A O no hydrogen 2.822 N/A ARG 87.A NH2 LYS 204.A O no hydrogen 3.221 N/A THR 88.A N GLU 85.A O no hydrogen 3.089 N/A THR 88.A OG1 VAL 84.A O no hydrogen 2.835 N/A TYR 89.A N ILE 206.A O no hydrogen 2.848 N/A ILE 90.A N ASN 103.A O no hydrogen 2.775 N/A CYS 91.A N HIS 208.A O no hydrogen 2.846 N/A CYS 91.A SG MET 105.A O no hydrogen 3.374 N/A SER 92.A OG LYS 94.A O no hydrogen 2.722 N/A ALA 93.A N GLU 211.A OE2 no hydrogen 2.902 N/A ASP 97.A N LYS 94.A O no hydrogen 3.123 N/A ALA 98.A N GLU 95.A O no hydrogen 2.818 N/A GLY 99.A N GLU 95.A O no hydrogen 2.970 N/A ASN 102.A N GLY 99.A O no hydrogen 3.163 N/A ASN 102.A ND2 ALA 98.A O no hydrogen 2.889 N/A ASN 102.A ND2 LEU 464.A O no hydrogen 3.186 N/A ASN 103.A ND2 THR 88.A O no hydrogen 2.978 N/A TRP 104.A NE1 SER 92.A O no hydrogen 2.910 N/A GLU 109.A N ASP 106.A OD1 no hydrogen 2.962 N/A MET 110.A N ASP 106.A O no hydrogen 2.945 N/A ARG 111.A N PRO 107.A O no hydrogen 2.974 N/A ARG 111.A NH2 GLU 214.A OE1 no hydrogen 2.943 N/A SER 112.A N GLY 108.A O no hydrogen 3.126 N/A SER 112.A OG.B GLY 108.A O no hydrogen 3.221 N/A ILE 113.A N GLU 109.A O no hydrogen 3.107 N/A MET 114.A N MET 110.A O no hydrogen 2.915 N/A LYS 115.A N ARG 111.A O no hydrogen 2.835 N/A ASP 116.A N SER 112.A O no hydrogen 3.357 N/A LEU 117.A N ILE 113.A O no hydrogen 3.142 N/A TYR 118.A N MET 114.A O no hydrogen 2.824 N/A TYR 118.A OH SER 217.A O no hydrogen 2.718 N/A ARG 119.A N LYS 115.A O no hydrogen 3.233 N/A ARG 119.A N ASP 116.A O no hydrogen 3.275 N/A ARG 119.A NH1 ASP 116.A OD1 no hydrogen 3.079 N/A ARG 119.A NH2 ASP 116.A OD1 no hydrogen 2.987 N/A GLY 120.A N LEU 31.A O no hydrogen 2.849 N/A CYS 121.A N TYR 118.A O no hydrogen 3.036 N/A CYS 121.A SG TYR 118.A O no hydrogen 3.248 N/A CYS 121.A SG SER 184.A OG no hydrogen 3.296 N/A MET 122.A N THR 32.A O no hydrogen 2.932 N/A ARG 123.A N GLY 120.A O no hydrogen 3.365 N/A ARG 123.A NH1 GLU 190.A OE2 no hydrogen 3.190 N/A ARG 123.A NH2 GLU 190.A OE1 no hydrogen 3.087 N/A GLY 124.A N ASP 35.A OD1 no hydrogen 3.087 N/A ARG 125.A N MET 122.A O no hydrogen 2.916 N/A ARG 125.A NE ALA 187.A O no hydrogen 3.002 N/A ARG 125.A NH1 ASP 195.A OD2 no hydrogen 2.767 N/A ARG 125.A NH2 ALA 187.A O no hydrogen 2.900 N/A ARG 125.A NH2 ASP 195.A OD1 no hydrogen 2.960 N/A ARG 125.A NH2 ASP 195.A OD2 no hydrogen 3.440 N/A MET 127.A N ARG 36.A O no hydrogen 2.862 N/A TYR 128.A N THR 149.A O no hydrogen 2.748 N/A VAL 129.A N VAL 38.A O no hydrogen 2.651 N/A VAL 130.A N GLU 147.A O no hydrogen 2.807 N/A PHE 132.A N GLY 145.A O no hydrogen 2.893 N/A CYS 133.A N ARG 163.A O no hydrogen 2.899 N/A CYS 133.A SG GLY 135.A O no hydrogen 3.404 N/A MET 134.A N LYS 143.A O no hydrogen 2.836 N/A GLY 135.A N PRO 315.A O no hydrogen 2.882 N/A ALA 139.A N PRO 136.A O no hydrogen 3.313 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.201 N/A LYS 143.A NZ GLU 245.A OE1 no hydrogen 2.902 N/A LYS 143.A NZ GLU 245.A OE2 no hydrogen 3.401 N/A GLY 145.A N PHE 132.A O no hydrogen 2.930 N/A VAL 146.A N VAL 179.A O no hydrogen 3.013 N/A GLU 147.A N VAL 130.A O no hydrogen 2.852 N/A ILE 148.A N ALA 181.A O no hydrogen 2.818 N/A THR 149.A N TYR 128.A O no hydrogen 2.949 N/A THR 149.A OG1 HIS 183.A ND1 no hydrogen 2.736 N/A SER 151.A N THR 149.A OG1 no hydrogen 2.941 N/A TYR 153.A OH THR 346.A OG1 no hydrogen 2.529 N/A VAL 154.A N SER 151.A OG no hydrogen 3.091 N/A VAL 155.A N SER 151.A O no hydrogen 3.124 N/A VAL 156.A N GLU 152.A O no hydrogen 3.101 N/A SER 157.A N TYR 153.A O no hydrogen 3.118 N/A MET 158.A N VAL 154.A O no hydrogen 2.830 N/A ARG 159.A N VAL 155.A O no hydrogen 2.997 N/A ARG 159.A NE GLY 42.A O no hydrogen 2.970 N/A ARG 159.A NH2 GLY 42.A O no hydrogen 3.171 N/A THR 160.A N VAL 156.A O no hydrogen 3.441 N/A MET 161.A N SER 157.A O no hydrogen 2.847 N/A THR 162.A N MET 158.A O no hydrogen 2.970 N/A THR 162.A OG1 MET 158.A O no hydrogen 2.771 N/A ARG 163.A NH1 GLU 316.A O no hydrogen 3.125 N/A ARG 163.A NH2 ASP 407.A OD2 no hydrogen 2.514 N/A GLY 165.A N PRO 131.A O no hydrogen 2.813 N/A LYS 166.A N ASP 41.A O no hydrogen 2.960 N/A LYS 166.A NZ GLU 170.A OE2 no hydrogen 3.170 N/A LEU 169.A N GLY 165.A O no hydrogen 3.024 N/A GLU 170.A N LYS 166.A O no hydrogen 2.958 N/A LYS 171.A N ALA 167.A O no hydrogen 2.962 N/A LYS 171.A NZ LEU 137.A O no hydrogen 3.497 N/A MET 172.A N ALA 168.A O no hydrogen 3.228 N/A MET 172.A N LEU 169.A O no hydrogen 3.038 N/A GLY 173.A N GLU 170.A O no hydrogen 2.965 N/A GLY 176.A N MET 172.A O no hydrogen 2.871 N/A VAL 179.A N LEU 144.A O no hydrogen 3.015 N/A ALA 181.A N VAL 146.A O no hydrogen 2.998 N/A LEU 182.A N ILE 215.A O no hydrogen 2.711 N/A HIS 183.A N ILE 148.A O no hydrogen 2.786 N/A HIS 183.A ND1 THR 149.A OG1 no hydrogen 2.736 N/A HIS 183.A NE2 SER 220.A O no hydrogen 2.713 N/A SER 184.A N SER 217.A O no hydrogen 3.189 N/A SER 184.A OG ASP 150.A OD2 no hydrogen 2.663 N/A VAL 185.A N ASP 150.A OD1 no hydrogen 2.891 N/A GLY 186.A N SER 184.A OG no hydrogen 2.972 N/A LEU 189.A N ARG 123.A O no hydrogen 2.694 N/A GLU 190.A N GLN 193.A OE1 no hydrogen 2.977 N/A GLN 193.A N GLU 190.A O no hydrogen 2.973 N/A VAL 196.A N ASP 195.A OD1 no hydrogen 2.774 N/A TRP 198.A NE1 ASP 80.A OD2 no hydrogen 2.851 N/A SER 201.A N GLY 219.A O no hydrogen 2.845 N/A SER 201.A OG THR 203.A O no hydrogen 3.552 N/A THR 203.A N SER 201.A OG no hydrogen 2.985 N/A LYS 204.A NZ SER 79.A O no hydrogen 2.838 N/A TYR 205.A N TYR 218.A O no hydrogen 2.965 N/A ILE 206.A N ARG 87.A O no hydrogen 2.888 N/A THR 207.A N TRP 216.A O no hydrogen 2.758 N/A HIS 208.A N TYR 89.A O no hydrogen 2.938 N/A HIS 208.A ND1 TYR 89.A O no hydrogen 3.001 N/A PHE 209.A N GLU 214.A O no hydrogen 2.754 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.794 N/A THR 212.A OG1 GLU 214.A OE1 no hydrogen 2.767 N/A ARG 213.A N PRO 210.A O no hydrogen 3.242 N/A ARG 213.A NH1 PRO 210.A O no hydrogen 2.767 N/A ARG 213.A NH2 ASP 244.A OD2 no hydrogen 2.866 N/A GLU 214.A N PHE 209.A O no hydrogen 3.007 N/A ILE 215.A N LYS 180.A O no hydrogen 3.107 N/A TRP 216.A N THR 207.A O no hydrogen 2.877 N/A SER 217.A N LEU 182.A O no hydrogen 2.708 N/A SER 217.A OG ASN 225.A O no hydrogen 2.669 N/A TYR 218.A N TYR 205.A O no hydrogen 2.862 N/A GLY 219.A N SER 184.A O no hydrogen 2.834 N/A SER 220.A OG ASP 80.A OD1 no hydrogen 2.648 N/A SER 220.A OG ASP 80.A OD2 no hydrogen 3.434 N/A GLY 221.A N ASP 80.A OD2 no hydrogen 2.801 N/A TYR 222.A N SER 220.A OG no hydrogen 3.034 N/A TYR 222.A OH ASN 389.A O no hydrogen 2.791 N/A ASN 225.A N TYR 222.A O no hydrogen 2.885 N/A ASN 225.A ND2 ALA 82.A O no hydrogen 3.017 N/A ASN 225.A ND2 SER 220.A OG no hydrogen 2.990 N/A ALA 226.A N GLY 223.A O no hydrogen 2.992 N/A LEU 227.A N GLY 223.A O no hydrogen 2.754 N/A LEU 228.A N GLU 147.A OE1 no hydrogen 3.127 N/A LYS 230.A N LEU 227.A O no hydrogen 2.966 N/A LYS 230.A NZ LYS 230.A O no hydrogen 3.502 N/A LYS 230.A NZ ASP 298.A OD2 no hydrogen 2.424 N/A LYS 230.A NZ GLU 316.A OE1 no hydrogen 2.941 N/A LYS 230.A NZ GLU 316.A OE2 no hydrogen 2.886 N/A LYS 231.A NZ ASP 298.A OD1 no hydrogen 3.569 N/A LYS 231.A NZ ASP 298.A OD2 no hydrogen 3.110 N/A CYS 232.A SG HIS 208.A NE2 no hydrogen 3.367 N/A CYS 232.A SG GLY 224.A O no hydrogen 3.585 N/A TYR 233.A N LEU 228.A O no hydrogen 2.883 N/A TYR 233.A OH LEU 144.A O no hydrogen 2.733 N/A SER 234.A N GLY 229.A O no hydrogen 3.118 N/A SER 234.A OG.A GLY 229.A O no hydrogen 3.244 N/A SER 234.A OG.A LYS 230.A O no hydrogen 2.482 N/A SER 234.A OG.B GLY 229.A O no hydrogen 2.728 N/A LEU 235.A N LYS 231.A O no hydrogen 3.019 N/A ARG 236.A N LYS 231.A O no hydrogen 3.123 N/A ARG 236.A NE PRO 462.A O no hydrogen 3.255 N/A ARG 236.A NH1 HIS 208.A NE2 no hydrogen 3.377 N/A ARG 236.A NH2 PRO 462.A O no hydrogen 3.001 N/A ILE 237.A N CYS 232.A O no hydrogen 2.916 N/A ALA 238.A N TYR 233.A O no hydrogen 2.844 N/A SER 239.A N LEU 235.A O no hydrogen 2.734 N/A SER 239.A OG LEU 235.A O no hydrogen 3.042 N/A SER 239.A OG ARG 236.A O no hydrogen 3.018 N/A MET 241.A N ILE 237.A O no hydrogen 3.021 N/A ALA 242.A N ALA 238.A O no hydrogen 2.781 N/A HIS 243.A N SER 239.A O no hydrogen 2.912 N/A ASP 244.A N ALA 240.A O no hydrogen 3.170 N/A GLU 245.A N MET 241.A O no hydrogen 2.784 N/A TRP 247.A N ALA 242.A O no hydrogen 3.051 N/A TRP 247.A NE1 GLU 245.A OE1 no hydrogen 2.962 N/A LEU 248.A N MET 302.A O no hydrogen 2.800 N/A GLU 250.A N ALA 300.A O no hydrogen 2.795 N/A HIS 251.A ND1 ALA 459.A O no hydrogen 2.764 N/A HIS 251.A NE2 ASP 298.A OD1 no hydrogen 3.010 N/A LEU 253.A N ALA 269.A O no hydrogen 2.891 N/A ILE 254.A N GLY 296.A O no hydrogen 2.963 N/A LEU 255.A N PHE 267.A O no hydrogen 2.787 N/A LYS 256.A N GLU 293.A O no hydrogen 2.831 N/A LYS 256.A NZ GLU 293.A OE1 no hydrogen 3.099 N/A LYS 256.A NZ GLU 405.A OE1 no hydrogen 2.908 N/A LYS 256.A NZ GLU 405.A OE2 no hydrogen 3.226 N/A LEU 257.A N TYR 265.A O no hydrogen 2.747 N/A ILE 258.A N ARG 291.A O no hydrogen 2.758 N/A SER 259.A N LYS 263.A O no hydrogen 3.112 N/A GLU 261.A N SER 259.A OG no hydrogen 3.262 N/A ASN 262.A N SER 259.A O no hydrogen 2.768 N/A LYS 263.A NZ GLU 524.A OE2 no hydrogen 2.625 N/A TYR 265.A N LEU 257.A O no hydrogen 2.708 N/A TYR 265.A OH GLU 524.A OE2 no hydrogen 2.545 N/A PHE 267.A N LEU 255.A O no hydrogen 2.795 N/A ALA 268.A N GLY 416.A O no hydrogen 3.070 N/A ALA 269.A N LEU 253.A O no hydrogen 2.997 N/A ALA 270.A N LEU 418.A O no hydrogen 2.791 N/A CYS 275.A SG PRO 272.A O no hydrogen 3.811 N/A CYS 275.A SG SER 273.A O no hydrogen 3.625 N/A LYS 277.A NZ.B ASP 298.A OD1 no hydrogen 3.172 N/A LEU 280.A N GLY 276.A O no hydrogen 3.335 N/A ALA 281.A N LYS 277.A O.A no hydrogen 2.840 N/A ALA 281.A N LYS 277.A O.B no hydrogen 2.850 N/A MET 282.A N THR 278.A O no hydrogen 3.248 N/A LEU 283.A N LEU 280.A O no hydrogen 3.147 N/A THR 286.A N SER 513.A OG no hydrogen 3.297 N/A THR 286.A OG1 GLY 510.A O no hydrogen 3.514 N/A THR 286.A OG1 GLU 511.A OE2 no hydrogen 2.630 N/A TRP 290.A N ILE 287.A O no hydrogen 3.383 N/A ARG 291.A N ILE 258.A O no hydrogen 2.932 N/A ARG 291.A NE GLY 289.A O no hydrogen 3.427 N/A ARG 291.A NH1 ASN 262.A OD1 no hydrogen 3.258 N/A ARG 291.A NH2 ASN 262.A OD1 no hydrogen 2.781 N/A ARG 291.A NH2 GLY 289.A O no hydrogen 3.053 N/A GLU 293.A N LYS 256.A O no hydrogen 2.825 N/A THR 294.A N.A ILE 401.A O no hydrogen 2.974 N/A THR 294.A N.B ILE 401.A O no hydrogen 2.977 N/A THR 294.A OG1.A ALA 281.A O no hydrogen 3.166 N/A LEU 295.A N ILE 254.A O no hydrogen 2.939 N/A GLY 296.A N THR 294.A OG1.A no hydrogen 3.304 N/A ALA 300.A N GLU 250.A O no hydrogen 2.917 N/A TRP 301.A N VAL 313.A O no hydrogen 2.904 N/A TRP 301.A NE1 SER 234.A O no hydrogen 3.028 N/A MET 302.A N LEU 248.A O no hydrogen 2.682 N/A ARG 303.A N TYR 311.A O no hydrogen 2.964 N/A GLY 305.A N ARG 309.A O no hydrogen 2.887 N/A GLY 308.A N GLY 305.A O no hydrogen 2.974 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 3.329 N/A ARG 309.A NE ASP 307.A OD2 no hydrogen 3.008 N/A ARG 309.A NH2 ASP 307.A OD2 no hydrogen 3.445 N/A ARG 309.A NH2 TYR 311.A OH no hydrogen 3.439 N/A TYR 311.A N ARG 303.A O no hydrogen 2.889 N/A TYR 311.A OH ASP 307.A OD1 no hydrogen 3.222 N/A TYR 311.A OH ASP 307.A OD2 no hydrogen 2.638 N/A ALA 312.A N VAL 412.A O no hydrogen 2.848 N/A VAL 313.A N TRP 301.A O no hydrogen 2.904 N/A ASN 314.A ND2 LEU 295.A O no hydrogen 2.865 N/A GLU 316.A N ASN 314.A OD1 no hydrogen 2.848 N/A PHE 317.A N MET 161.A O no hydrogen 2.933 N/A PHE 319.A N THR 394.A O no hydrogen 2.721 N/A GLY 321.A N TYR 392.A O no hydrogen 3.019 N/A ALA 323.A N SER 390.A O no hydrogen 2.879 N/A GLY 325.A N GLU 359.A O no hydrogen 2.924 N/A THR 326.A N ALA 323.A O no hydrogen 2.912 N/A THR 326.A OG1 VAL 322.A O no hydrogen 3.090 N/A THR 326.A OG1 ALA 323.A O no hydrogen 2.817 N/A ASN 327.A ND2 GLY 360.A O no hydrogen 2.771 N/A TRP 328.A N GLU 362.A OE2 no hydrogen 2.971 N/A LYS 329.A N GLU 362.A OE1 no hydrogen 3.001 N/A LYS 329.A NZ GLU 362.A OE1 no hydrogen 2.820 N/A SER 330.A N ASN 327.A OD1 no hydrogen 2.874 N/A SER 330.A OG ASN 327.A OD1 no hydrogen 3.367 N/A ASN 331.A N ASN 327.A O no hydrogen 2.798 N/A ASN 331.A ND2 THR 278.A O no hydrogen 3.579 N/A ASN 333.A ND2 MET 282.A O no hydrogen 3.672 N/A ALA 334.A N ASN 331.A OD1 no hydrogen 3.126 N/A MET 335.A N ASN 331.A O no hydrogen 3.159 N/A ARG 336.A N PRO 332.A O no hydrogen 2.863 N/A ARG 336.A NH1.A ASN 333.A OD1 no hydrogen 3.100 N/A THR 337.A N ASN 333.A O no hydrogen 3.106 N/A THR 337.A OG1 ASN 333.A O no hydrogen 2.639 N/A ILE 338.A N ALA 334.A O no hydrogen 2.988 N/A ALA 339.A N MET 335.A O no hydrogen 2.847 N/A GLY 341.A N ILE 338.A O no hydrogen 3.031 N/A ASN 342.A N LYS 69.A O no hydrogen 2.832 N/A ASN 342.A ND2 GLN 398.A OE1 no hydrogen 3.020 N/A THR 343.A N SER 71.A OG no hydrogen 3.085 N/A THR 343.A OG1 GLY 341.A O no hydrogen 2.839 N/A THR 343.A OG1 THR 394.A OG1 no hydrogen 2.900 N/A VAL 344.A N CYS 393.A O no hydrogen 3.024 N/A PHE 345.A N TYR 72.A O no hydrogen 2.770 N/A THR 346.A N ARG 391.A O no hydrogen 2.914 N/A THR 346.A OG1 TYR 153.A OH no hydrogen 2.529 N/A ASN 347.A N ALA 74.A O no hydrogen 2.786 N/A ASN 347.A ND2 SER 76.A OG no hydrogen 2.969 N/A ALA 349.A N TRP 357.A O no hydrogen 2.888 N/A LEU 350.A N ILE 369.A O no hydrogen 2.910 N/A THR 351.A N ASP 355.A O no hydrogen 2.957 N/A THR 351.A OG1 ASP 353.A OD1 no hydrogen 2.525 N/A GLY 354.A N THR 351.A O no hydrogen 3.023 N/A ASP 355.A N THR 351.A OG1 no hydrogen 2.800 N/A VAL 356.A N ASP 355.A OD1 no hydrogen 2.617 N/A TRP 357.A N ALA 349.A O no hydrogen 2.923 N/A TRP 358.A NE1 THR 326.A O no hydrogen 2.710 N/A GLU 359.A N GLU 359.A OE1 no hydrogen 2.812 N/A LEU 361.A N TRP 358.A O no hydrogen 3.020 N/A GLU 362.A N GLU 362.A OE2 no hydrogen 2.844 N/A GLN 366.A NE2 ASP 364.A O no hydrogen 2.947 N/A HIS 367.A ND1 ASP 352.A OD1 no hydrogen 2.785 N/A HIS 367.A NE2 ASP 375.A OD1 no hydrogen 2.668 N/A LEU 368.A N TRP 376.A O no hydrogen 2.927 N/A ILE 369.A N LEU 350.A O no hydrogen 3.002 N/A ASP 370.A N ASN 374.A O no hydrogen 2.730 N/A TRP 371.A N ALA 385.A O no hydrogen 2.866 N/A LYS 372.A N ASP 370.A OD1 no hydrogen 2.922 N/A GLY 373.A N ASP 370.A O no hydrogen 2.921 N/A ASN 374.A N ASP 370.A OD1 no hydrogen 2.862 N/A TRP 376.A N LEU 368.A O no hydrogen 2.798 N/A TRP 376.A NE1 THR 383.A O no hydrogen 3.088 N/A TYR 377.A N THR 381.A OG1 no hydrogen 2.800 N/A PHE 378.A N GLN 366.A O no hydrogen 3.071 N/A GLU 380.A N TYR 377.A O no hydrogen 3.253 N/A THR 381.A N TYR 377.A O no hydrogen 3.120 N/A ALA 385.A N GLU 359.A OE2 no hydrogen 2.670 N/A ALA 386.A N GLU 359.A OE1 no hydrogen 3.138 N/A HIS 387.A N ASN 347.A O no hydrogen 3.011 N/A ASN 389.A N HIS 387.A ND1 no hydrogen 2.963 N/A ASN 389.A ND2 VAL 81.A O no hydrogen 2.936 N/A SER 390.A N HIS 387.A O no hydrogen 2.944 N/A SER 390.A OG HIS 387.A O no hydrogen 2.661 N/A ARG 391.A N THR 346.A O no hydrogen 3.012 N/A ARG 391.A NE ASN 389.A O no hydrogen 3.439 N/A ARG 391.A NH1 ASN 389.A OD1 no hydrogen 3.314 N/A ARG 391.A NH2 PHE 320.A O no hydrogen 3.124 N/A TYR 392.A N GLY 321.A O no hydrogen 3.029 N/A CYS 393.A N VAL 344.A O no hydrogen 2.790 N/A CYS 393.A SG SER 157.A OG.B no hydrogen 3.119 N/A THR 394.A N PHE 319.A O no hydrogen 2.910 N/A THR 394.A OG1 THR 343.A OG1 no hydrogen 2.900 N/A MET 396.A N PHE 317.A O no hydrogen 3.213 N/A GLN 398.A NE2 THR 337.A O no hydrogen 2.776 N/A GLN 398.A NE2 GLY 341.A O no hydrogen 2.662 N/A CYS 399.A N MET 396.A O no hydrogen 3.051 N/A CYS 399.A SG THR 337.A OG1 no hydrogen 3.646 N/A LEU 402.A N CYS 399.A O no hydrogen 3.233 N/A ALA 403.A N THR 294.A O.A no hydrogen 2.912 N/A ALA 403.A N THR 294.A O.B no hydrogen 2.986 N/A GLU 405.A N GLU 405.A OE1 no hydrogen 2.917 N/A TRP 406.A N ALA 403.A O no hydrogen 2.959 N/A ASP 408.A N GLU 405.A O no hydrogen 3.053 N/A GLN 410.A N ASP 408.A OD1 no hydrogen 2.975 N/A GLY 411.A N ASP 408.A O no hydrogen 2.971 N/A VAL 412.A N ALA 312.A O no hydrogen 2.970 N/A ILE 414.A N LEU 310.A O no hydrogen 2.799 N/A SER 415.A N TYR 266.A O no hydrogen 2.921 N/A ILE 417.A N LYS 489.A O no hydrogen 2.893 N/A LEU 418.A N ALA 268.A O no hydrogen 2.846 N/A PHE 419.A N PHE 491.A O no hydrogen 2.838 N/A GLY 420.A N ALA 270.A O no hydrogen 2.979 N/A ARG 422.A N SER 448.A OG no hydrogen 2.827 N/A ARG 422.A NE ALA 274.A O no hydrogen 3.171 N/A ARG 422.A NH2 ALA 274.A O no hydrogen 3.043 N/A ARG 423.A N ASN 494.A OD1 no hydrogen 3.232 N/A ARG 423.A NH1 GLU 569.A OE2 no hydrogen 2.968 N/A ARG 423.A NH2 GLU 569.A OE1 no hydrogen 2.914 N/A THR 425.A OG1 THR 426.A OG1 no hydrogen 2.826 N/A THR 426.A OG1 THR 425.A OG1 no hydrogen 2.826 N/A VAL 427.A N THR 425.A O no hydrogen 2.790 N/A LEU 429.A N ALA 558.A O no hydrogen 2.832 N/A THR 431.A N PHE 492.A O no hydrogen 2.889 N/A GLU 432.A N THR 536.A O no hydrogen 2.702 N/A ALA 433.A N VAL 490.A O no hydrogen 2.874 N/A ARG 434.A N HIS 438.A ND1 no hydrogen 2.880 N/A TRP 436.A NE1 TRP 475.A O no hydrogen 3.017 N/A GLN 437.A NE2 GLU 591.A OE1 no hydrogen 3.077 N/A HIS 438.A N ASP 435.A OD1 no hydrogen 3.024 N/A GLY 439.A N ASP 435.A O no hydrogen 2.925 N/A VAL 440.A N TRP 436.A O no hydrogen 2.816 N/A PHE 441.A N GLN 437.A O no hydrogen 3.137 N/A ILE 442.A N HIS 438.A O no hydrogen 2.877 N/A GLY 443.A N GLY 439.A O no hydrogen 2.903 N/A ALA 444.A N VAL 440.A O no hydrogen 2.697 N/A THR 445.A N PHE 441.A O no hydrogen 3.003 N/A THR 445.A OG1 PHE 441.A O no hydrogen 2.848 N/A LEU 446.A N GLY 443.A O no hydrogen 3.146 N/A SER 448.A N ARG 454.A O no hydrogen 2.894 N/A GLU 449.A N ARG 422.A O no hydrogen 2.856 N/A GLN 450.A N ASN 452.A O no hydrogen 2.821 N/A GLN 450.A NE2 ASN 452.A OD1 no hydrogen 2.411 N/A ARG 454.A N SER 448.A O no hydrogen 2.756 N/A ARG 455.A NH1 THR 445.A O no hydrogen 2.749 N/A ARG 455.A NH1 GLU 569.A OE2 no hydrogen 3.392 N/A ARG 455.A NH2 GLU 569.A OE2 no hydrogen 2.843 N/A ASP 456.A N LEU 446.A O no hydrogen 2.923 N/A MET 458.A N GLY 443.A O no hydrogen 2.993 N/A ALA 459.A N ASP 456.A O no hydrogen 2.899 N/A MET 460.A N PRO 457.A O no hydrogen 2.805 N/A LEU 461.A N ASP 456.A OD1 no hydrogen 2.754 N/A PHE 463.A N MET 460.A O no hydrogen 2.804 N/A GLY 465.A N SER 239.A OG no hydrogen 2.929 N/A ASN 467.A ND2 ILE 96.A O no hydrogen 2.888 N/A GLY 469.A N ASN 467.A OD1 no hydrogen 2.733 N/A ASP 470.A N ASN 467.A OD1 no hydrogen 3.156 N/A TYR 471.A N ASN 467.A O no hydrogen 2.909 N/A TYR 471.A OH GLU 250.A OE1 no hydrogen 2.593 N/A PHE 472.A N VAL 468.A O no hydrogen 2.992 N/A GLN 473.A N GLY 469.A O no hydrogen 3.036 N/A GLN 473.A NE2 ASN 477.A OD1 no hydrogen 2.810 N/A HIS 474.A N ASP 470.A O no hydrogen 2.812 N/A HIS 474.A NE2 TRP 247.A O no hydrogen 2.840 N/A TRP 475.A N TYR 471.A O no hydrogen 3.094 N/A TRP 475.A NE1 GLU 250.A OE2 no hydrogen 3.126 N/A ILE 476.A N PHE 472.A O no hydrogen 2.943 N/A ASN 477.A N GLN 473.A O no hydrogen 2.713 N/A LEU 478.A N HIS 474.A O no hydrogen 3.031 N/A GLY 479.A N TRP 475.A O no hydrogen 3.380 N/A LYS 480.A N ILE 476.A O no hydrogen 3.048 N/A HIS 481.A N ASN 477.A O no hydrogen 3.212 N/A ALA 482.A N GLY 479.A O no hydrogen 3.100 N/A SER 485.A N ASP 483.A OD1 no hydrogen 2.958 N/A SER 485.A OG ASP 483.A OD1 no hydrogen 2.666 N/A SER 485.A OG ASP 483.A OD2 no hydrogen 3.333 N/A LYS 486.A N ASP 483.A O no hydrogen 3.037 N/A LYS 486.A NZ ASP 307.A O no hydrogen 3.173 N/A LEU 487.A N GLU 484.A O no hydrogen 3.406 N/A LYS 489.A N SER 415.A O no hydrogen 3.068 N/A PHE 491.A N ILE 417.A O no hydrogen 2.856 N/A PHE 492.A N THR 431.A O no hydrogen 2.813 N/A VAL 493.A N PHE 419.A O no hydrogen 2.839 N/A ASN 494.A N LEU 429.A O no hydrogen 2.837 N/A ASN 494.A ND2 ARG 423.A O no hydrogen 2.866 N/A ASN 494.A ND2 VAL 427.A O no hydrogen 2.958 N/A PHE 496.A N ASN 494.A OD1 no hydrogen 3.016 N/A ARG 497.A NH1 ALA 558.A O no hydrogen 3.177 N/A ARG 497.A NH1 ALA 560.A O no hydrogen 2.749 N/A ARG 497.A NH2 ALA 560.A O no hydrogen 3.391 N/A ARG 498.A N LYS 424.A O no hydrogen 2.909 N/A ARG 498.A NE GLY 502.A O no hydrogen 2.954 N/A ARG 498.A NH2 GLY 502.A O no hydrogen 3.103 N/A GLY 499.A N ARG 503.A O no hydrogen 2.869 N/A GLY 502.A N GLY 499.A O no hydrogen 2.785 N/A ARG 503.A N ASP 501.A OD1 no hydrogen 2.897 N/A ARG 503.A NE ASP 501.A OD1 no hydrogen 3.034 N/A ARG 503.A NH1 ASP 554.A OD1 no hydrogen 3.441 N/A ARG 503.A NH2 ASP 501.A OD2 no hydrogen 2.777 N/A LEU 505.A N ARG 497.A O no hydrogen 3.102 N/A TRP 506.A NE1 ASN 512.A OD1 no hydrogen 2.825 N/A GLU 511.A N GLY 508.A O no hydrogen 3.009 N/A ASN 512.A N PHE 509.A O no hydrogen 3.010 N/A SER 513.A N GLY 510.A O no hydrogen 3.146 N/A SER 513.A OG GLY 510.A O no hydrogen 2.813 N/A ARG 514.A N GLU 511.A O no hydrogen 3.006 N/A ARG 514.A NE GLU 511.A OE2 no hydrogen 2.802 N/A ARG 514.A NH1 ASP 544.A O no hydrogen 2.710 N/A ARG 514.A NH1 ASP 546.A O no hydrogen 2.773 N/A ARG 514.A NH2 ASP 546.A O no hydrogen 2.803 N/A VAL 515.A N ASN 512.A O no hydrogen 3.029 N/A LEU 516.A N ASN 512.A O no hydrogen 3.088 N/A LYS 517.A N SER 513.A O no hydrogen 2.830 N/A LYS 517.A NZ ASP 544.A OD1 no hydrogen 2.723 N/A TRP 518.A N ARG 514.A O no hydrogen 3.335 N/A TRP 518.A NE1 GLY 528.A O no hydrogen 3.010 N/A ILE 519.A N VAL 515.A O no hydrogen 2.980 N/A VAL 520.A N LEU 516.A O no hydrogen 2.841 N/A ASP 521.A N LYS 517.A O no hydrogen 2.868 N/A ARG 522.A N TRP 518.A O no hydrogen 2.875 N/A ARG 522.A NE GLU 432.A OE2 no hydrogen 2.761 N/A ARG 522.A NH1 ALA 527.A O no hydrogen 2.965 N/A ARG 522.A NH2 GLU 432.A OE2 no hydrogen 3.089 N/A ILE 523.A N ILE 519.A O no hydrogen 3.026 N/A GLU 524.A N VAL 520.A O no hydrogen 2.997 N/A HIS 525.A N ARG 522.A O no hydrogen 2.923 N/A LYS 526.A N ASP 521.A O no hydrogen 2.616 N/A ALA 530.A N VAL 537.A O no hydrogen 2.791 N/A THR 532.A N GLY 535.A O no hydrogen 2.923 N/A THR 532.A OG1 GLY 535.A O no hydrogen 2.696 N/A ILE 534.A N THR 532.A OG1 no hydrogen 3.212 N/A GLY 535.A N THR 532.A O no hydrogen 3.218 N/A THR 536.A N GLU 432.A O no hydrogen 2.932 N/A VAL 537.A N ALA 530.A O no hydrogen 2.920 N/A ALA 539.A N ASP 542.A OD2 no hydrogen 2.739 N/A GLU 541.A N GLU 541.A OE2 no hydrogen 2.794 N/A ASP 542.A N ALA 539.A O no hydrogen 2.900 N/A LEU 543.A N VAL 540.A O no hydrogen 3.075 N/A ASP 546.A N ASP 544.A OD2 no hydrogen 2.923 N/A LEU 548.A N LEU 545.A O no hydrogen 3.099 N/A ALA 553.A N ASP 551.A OD1 no hydrogen 3.016 N/A ASP 554.A N ASP 551.A O no hydrogen 2.991 N/A VAL 555.A N ASP 551.A O no hydrogen 3.268 N/A ALA 556.A N ALA 552.A O no hydrogen 2.825 N/A ALA 557.A N ALA 553.A O no hydrogen 2.954 N/A ALA 558.A N ASP 554.A O no hydrogen 2.903 N/A LEU 559.A N VAL 555.A O no hydrogen 3.137 N/A LEU 559.A N ALA 556.A O no hydrogen 3.069 N/A ALA 560.A N ALA 557.A O no hydrogen 3.346 N/A GLU 565.A N ASP 562.A OD2 no hydrogen 2.927 N/A TRP 566.A N ASP 562.A O no hydrogen 3.104 N/A TRP 566.A NE1 THR 426.A O no hydrogen 2.955 N/A ARG 567.A N ALA 563.A O no hydrogen 2.799 N/A ARG 567.A NE GLY 600.A O.A no hydrogen 2.823 N/A ARG 567.A NH2 LEU 599.A O no hydrogen 3.007 N/A GLN 568.A N ASP 564.A O no hydrogen 3.174 N/A GLU 569.A N GLU 565.A O no hydrogen 3.069 N/A LEU 570.A N TRP 566.A O no hydrogen 3.125 N/A ILE 573.A N GLU 569.A O no hydrogen 3.084 N/A GLU 574.A N LEU 570.A O no hydrogen 2.824 N/A GLU 575.A N PRO 571.A O no hydrogen 2.945 N/A TRP 576.A N LEU 572.A O no hydrogen 3.191 N/A TRP 576.A NE1 ALA 444.A O no hydrogen 2.896 N/A LEU 577.A N ILE 573.A O no hydrogen 2.881 N/A GLN 578.A N GLU 574.A O no hydrogen 2.997 N/A PHE 579.A N GLU 575.A O no hydrogen 3.080 N/A VAL 580.A N TRP 576.A O no hydrogen 2.940 N/A GLY 581.A N GLN 578.A O no hydrogen 2.973 N/A LEU 584.A N GLY 581.A O no hydrogen 3.003 N/A VAL 588.A N PRO 585.A O no hydrogen 3.045 N/A LYS 589.A N PRO 585.A O no hydrogen 3.200 N/A LYS 589.A NZ ASP 593.A OD1 no hydrogen 2.920 N/A LYS 589.A NZ ASP 593.A OD2 no hydrogen 3.376 N/A ASP 590.A N THR 586.A O no hydrogen 2.737 N/A PHE 592.A N VAL 588.A O no hydrogen 3.173 N/A ASP 593.A N LYS 589.A O no hydrogen 3.026 N/A ALA 594.A N ASP 590.A O no hydrogen 2.927 N/A LEU 595.A N GLU 591.A O no hydrogen 2.903 N/A LYS 596.A N PHE 592.A O no hydrogen 2.908 N/A GLU 597.A N ASP 593.A O no hydrogen 2.828 N/A ARG 598.A N ALA 594.A O no hydrogen 2.927 N/A ARG 598.A NE PRO 533.A O no hydrogen 2.731 N/A ARG 598.A NH2 PRO 533.A O no hydrogen 2.981 N/A LEU 599.A N LEU 595.A O no hydrogen 3.022 N/A GLY 600.A N.A LYS 596.A O no hydrogen 3.206 N/A