Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1thg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ILE 12.A O no hydrogen 3.142 N/A LEU 6.A N GLU 10.A O no hydrogen 2.777 N/A ASN 7.A ND2 GLU 10.A OE1 no hydrogen 2.899 N/A ASN 9.A N ASN 7.A O no hydrogen 2.783 N/A ASN 9.A ND2 ASN 7.A O no hydrogen 2.972 N/A GLU 10.A N LEU 6.A O no hydrogen 2.884 N/A VAL 11.A N GLN 49.A OE1 no hydrogen 2.871 N/A ILE 12.A N ALA 4.A O no hydrogen 2.957 N/A SER 13.A N LEU 51.A O no hydrogen 2.928 N/A GLY 14.A N PRO 2.A O no hydrogen 2.846 N/A VAL 15.A N THR 22.A O no hydrogen 2.887 N/A GLU 17.A N VAL 20.A O no hydrogen 2.809 N/A LYS 19.A NZ ASN 151.A OD1 no hydrogen 2.839 N/A VAL 20.A N GLU 17.A O no hydrogen 3.112 N/A ASP 21.A N ARG 111.A O no hydrogen 2.851 N/A THR 22.A N VAL 15.A O no hydrogen 2.835 N/A THR 22.A OG1 VAL 15.A O no hydrogen 3.209 N/A THR 22.A OG1 GLU 17.A OE2 no hydrogen 3.143 N/A PHE 23.A N VAL 109.A O no hydrogen 2.868 N/A LYS 24.A N ALA 53.A O no hydrogen 3.007 N/A LYS 24.A NZ GLU 17.A OE2 no hydrogen 2.820 N/A ILE 26.A N LEU 107.A O no hydrogen 2.916 N/A PHE 28.A N LEU 105.A O no hydrogen 3.299 N/A ASP 30.A N GLN 42.A O no hydrogen 2.988 N/A LEU 33.A N PRO 31.A O no hydrogen 2.905 N/A LEU 36.A N LEU 33.A O no hydrogen 2.928 N/A ARG 37.A N ASN 34.A O no hydrogen 3.083 N/A ARG 37.A NE GLU 102.A OE1 no hydrogen 2.844 N/A ARG 37.A NH1 LEU 288.A O no hydrogen 3.031 N/A ARG 37.A NH1 LYS 291.A O no hydrogen 2.754 N/A ARG 37.A NH2 GLU 102.A OE2 no hydrogen 2.847 N/A ARG 37.A NH2 LYS 291.A O no hydrogen 3.132 N/A LYS 39.A N LEU 36.A O no hydrogen 3.098 N/A LYS 39.A NZ ASP 35.A O no hydrogen 3.247 N/A HIS 40.A N ASN 181.A OD1 no hydrogen 2.998 N/A HIS 40.A NE2 THR 182.A O no hydrogen 2.780 N/A GLN 42.A NE2 HIS 40.A O no hydrogen 2.908 N/A THR 45.A N ASP 30.A OD1 no hydrogen 2.948 N/A THR 45.A OG1 ASP 30.A OD1 no hydrogen 3.196 N/A THR 45.A OG1 ASP 30.A OD2 no hydrogen 2.805 N/A SER 47.A OG GLU 10.A OE2 no hydrogen 3.013 N/A TYR 48.A N GLU 10.A OE1 no hydrogen 3.213 N/A TYR 48.A OH PRO 27.A O no hydrogen 2.862 N/A GLN 49.A N SER 47.A OG no hydrogen 3.130 N/A GLY 50.A N VAL 11.A O no hydrogen 2.867 N/A LEU 51.A N TYR 48.A O no hydrogen 2.968 N/A ALA 53.A N SER 13.A O no hydrogen 2.775 N/A PHE 56.A N ASP 55.A OD1 no hydrogen 2.933 N/A SER 57.A OG PRO 58.A O no hydrogen 3.053 N/A ALA 59.A N SER 99.A O no hydrogen 2.821 N/A CYS 60.A N SER 136.A OG no hydrogen 3.110 N/A CYS 60.A SG CYS 104.A O no hydrogen 3.907 N/A CYS 60.A SG TYR 163.A O no hydrogen 3.381 N/A GLY 66.A N ASP 64.A OD2 no hydrogen 3.006 N/A ASN 67.A N ASP 64.A O no hydrogen 3.067 N/A ASN 67.A ND2 ASN 301.A OD1.A no hydrogen 2.878 N/A ASN 67.A ND2 ASP 304.A OD2 no hydrogen 3.552 N/A SER 68.A OG GLY 310.A O no hydrogen 2.984 N/A LEU 69.A N PRO 65.A O no hydrogen 2.885 N/A THR 70.A N GLY 66.A O no hydrogen 2.883 N/A THR 70.A OG1 GLY 66.A O no hydrogen 2.743 N/A LEU 71.A N ASN 67.A O no hydrogen 3.163 N/A LEU 72.A N SER 68.A O no hydrogen 2.899 N/A ASP 73.A N LEU 69.A O no hydrogen 2.825 N/A LYS 74.A N THR 70.A O no hydrogen 2.841 N/A ALA 75.A N LEU 71.A O no hydrogen 2.801 N/A LEU 76.A N LEU 72.A O no hydrogen 2.755 N/A GLY 77.A N ASP 73.A O no hydrogen 2.730 N/A LEU 78.A N ASP 73.A OD1 no hydrogen 2.989 N/A LYS 80.A N GLY 77.A O no hydrogen 2.851 N/A VAL 81.A N GLY 77.A O no hydrogen 3.090 N/A ILE 82.A N LEU 78.A O no hydrogen 2.858 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.972 N/A PHE 86.A N PRO 83.A O no hydrogen 2.911 N/A ARG 87.A N PRO 83.A O no hydrogen 2.990 N/A GLY 88.A N GLU 84.A O no hydrogen 3.050 N/A LEU 90.A N PHE 86.A O no hydrogen 3.060 N/A TYR 91.A N ARG 87.A O no hydrogen 3.029 N/A ASP 92.A N GLY 88.A O no hydrogen 3.030 N/A MET 93.A N PRO 89.A O no hydrogen 3.055 N/A ALA 94.A N TYR 91.A O no hydrogen 3.183 N/A LYS 95.A N ASP 92.A O no hydrogen 3.407 N/A ASN 101.A N ALA 59.A O no hydrogen 2.942 N/A ASP 103.A N ASN 101.A OD1 no hydrogen 2.916 N/A CYS 104.A SG GLU 102.A O no hydrogen 3.487 N/A TYR 106.A N CYS 104.A O no hydrogen 2.875 N/A TYR 106.A OH ASP 103.A OD1 no hydrogen 2.633 N/A LEU 107.A N ILE 26.A O no hydrogen 2.862 N/A ASN 108.A N SER 160.A O no hydrogen 2.981 N/A VAL 109.A N PHE 23.A O no hydrogen 2.828 N/A PHE 110.A N PHE 158.A O no hydrogen 2.845 N/A ARG 111.A N ASP 21.A O no hydrogen 3.041 N/A ARG 111.A NE ASP 21.A OD2 no hydrogen 2.964 N/A ARG 111.A NH1 PHE 203.A O no hydrogen 3.010 N/A ARG 111.A NH2 ASP 21.A OD2 no hydrogen 3.061 N/A ALA 113.A N LYS 19.A O no hydrogen 2.838 N/A GLY 114.A N ASP 21.A OD2 no hydrogen 3.290 N/A THR 115.A N PRO 112.A O no hydrogen 3.129 N/A THR 115.A OG1 PRO 112.A O no hydrogen 2.712 N/A ALA 119.A N LYS 116.A O no hydrogen 2.926 N/A LEU 121.A N GLY 204.A O no hydrogen 2.839 N/A VAL 123.A N LYS 209.A O no hydrogen 2.970 N/A MET 124.A N VAL 157.A O no hydrogen 2.951 N/A VAL 125.A N MET 211.A O no hydrogen 2.762 N/A TRP 126.A N VAL 159.A O no hydrogen 2.862 N/A ILE 127.A N PHE 213.A O no hydrogen 2.864 N/A TYR 128.A OH TYR 163.A O no hydrogen 2.839 N/A VAL 133.A N GLY 130.A O no hydrogen 3.440 N/A TYR 134.A N MET 93.A O no hydrogen 2.977 N/A TYR 134.A OH VAL 98.A O no hydrogen 2.770 N/A SER 136.A OG GLN 62.A OE1 no hydrogen 2.952 N/A SER 136.A OG TYR 128.A OH no hydrogen 3.241 N/A SER 137.A N ASN 162.A OD1 no hydrogen 3.004 N/A SER 137.A OG ASN 108.A OD1 no hydrogen 2.783 N/A SER 137.A OG ASN 162.A OD1 no hydrogen 3.002 N/A ALA 138.A N GLY 135.A O no hydrogen 3.145 N/A ALA 139.A N SER 136.A O no hydrogen 3.151 N/A TYR 140.A N SER 137.A O no hydrogen 3.061 N/A ASN 143.A ND2 GLU 17.A OE1 no hydrogen 3.036 N/A SER 144.A OG.A ASN 473.A OD1 no hydrogen 3.243 N/A SER 144.A OG.B GLN 469.A O no hydrogen 2.792 N/A TYR 145.A OH GLN 469.A OE1 no hydrogen 2.916 N/A TYR 145.A OH TYR 480.A O no hydrogen 2.826 N/A VAL 146.A N GLY 142.A O no hydrogen 2.987 N/A LYS 147.A N ASN 143.A O no hydrogen 2.874 N/A GLU 148.A N SER 144.A O no hydrogen 2.986 N/A SER 149.A N TYR 145.A O no hydrogen 2.974 N/A SER 149.A OG TYR 145.A O no hydrogen 3.522 N/A SER 149.A OG VAL 146.A O no hydrogen 2.798 N/A ILE 150.A N VAL 146.A O no hydrogen 3.134 N/A ASN 151.A N LYS 147.A O no hydrogen 3.091 N/A MET 152.A N GLU 148.A O no hydrogen 2.970 N/A GLY 153.A N ILE 150.A O no hydrogen 2.919 N/A GLN 154.A N SER 149.A O no hydrogen 2.832 N/A GLN 154.A NE2 VAL 495.A O no hydrogen 2.809 N/A VAL 156.A N SER 149.A OG no hydrogen 3.089 N/A VAL 157.A N PRO 122.A O no hydrogen 3.009 N/A PHE 158.A N PHE 110.A O no hydrogen 2.840 N/A VAL 159.A N MET 124.A O no hydrogen 2.880 N/A SER 160.A N ASN 108.A O no hydrogen 3.083 N/A SER 160.A OG ASN 108.A OD1 no hydrogen 3.016 N/A ASN 162.A N TYR 106.A O no hydrogen 3.099 N/A ASN 162.A ND2 CYS 104.A O no hydrogen 3.049 N/A TYR 163.A N TYR 128.A OH no hydrogen 3.058 N/A TYR 163.A OH TYR 128.A O no hydrogen 2.772 N/A ARG 164.A N ASP 188.A OD2 no hydrogen 3.028 N/A ARG 164.A NE ASP 188.A OD2 no hydrogen 2.866 N/A ARG 164.A NH1 LYS 39.A O no hydrogen 2.905 N/A ARG 164.A NH2 LYS 39.A O no hydrogen 2.881 N/A ARG 164.A NH2 ASP 188.A OD1 no hydrogen 2.820 N/A GLY 169.A N THR 165.A O no hydrogen 3.326 N/A GLY 169.A N GLY 166.A O no hydrogen 3.178 N/A PHE 170.A N GLY 166.A O no hydrogen 2.907 N/A THR 177.A N GLY 173.A O no hydrogen 3.038 N/A THR 177.A OG1 GLY 173.A O no hydrogen 2.861 N/A ALA 178.A N ASP 174.A O no hydrogen 2.917 N/A GLU 179.A N ALA 175.A O no hydrogen 2.963 N/A GLY 180.A N THR 177.A O no hydrogen 2.875 N/A ASN 181.A N ILE 176.A O no hydrogen 3.040 N/A ASN 181.A ND2 GLU 179.A OE1 no hydrogen 2.903 N/A THR 182.A OG1 ASP 323.A OD2 no hydrogen 2.727 N/A ASN 183.A ND2 ARG 321.A O no hydrogen 2.842 N/A ASN 183.A ND2 ASP 323.A OD2 no hydrogen 2.927 N/A GLY 185.A N GLY 169.A O no hydrogen 2.803 N/A LEU 186.A N ASN 183.A O no hydrogen 3.013 N/A HIS 187.A N ASN 183.A O no hydrogen 3.200 N/A ASP 188.A N ALA 184.A O no hydrogen 2.852 N/A GLN 189.A N GLY 185.A O no hydrogen 3.301 N/A GLN 189.A NE2 SER 221.A OG no hydrogen 2.942 N/A ARG 190.A N LEU 186.A O no hydrogen 3.085 N/A ARG 190.A NH1 ASP 232.A O no hydrogen 3.081 N/A ARG 190.A NH2 ASP 232.A O no hydrogen 3.060 N/A LYS 191.A N HIS 187.A O no hydrogen 2.868 N/A GLY 192.A N ASP 188.A O no hydrogen 2.969 N/A LEU 193.A N GLN 189.A O no hydrogen 2.964 N/A GLU 194.A N ARG 190.A O no hydrogen 2.906 N/A TRP 195.A N LYS 191.A O no hydrogen 2.957 N/A TRP 195.A NE1 TYR 48.A OH no hydrogen 2.852 N/A VAL 196.A N GLY 192.A O no hydrogen 2.994 N/A SER 197.A N LEU 193.A O no hydrogen 2.948 N/A ASP 198.A N GLU 194.A O no hydrogen 2.982 N/A ASN 199.A N TRP 195.A O no hydrogen 2.829 N/A ASN 199.A N VAL 196.A O no hydrogen 3.318 N/A ILE 200.A N VAL 196.A O no hydrogen 2.913 N/A ASN 202.A N ASN 199.A O no hydrogen 3.096 N/A ASN 202.A ND2 ASN 199.A O no hydrogen 3.227 N/A PHE 203.A N ILE 200.A O no hydrogen 2.880 N/A GLY 204.A N ALA 201.A O no hydrogen 3.066 N/A GLY 205.A N ILE 200.A O no hydrogen 3.149 N/A ASP 206.A N LEU 121.A O no hydrogen 2.750 N/A ASP 208.A N ASP 206.A OD1 no hydrogen 2.999 N/A LYS 209.A N ASP 206.A O no hydrogen 3.021 N/A LYS 209.A NZ ASN 489.A O no hydrogen 3.244 N/A VAL 210.A N HIS 242.A ND1 no hydrogen 3.046 N/A MET 211.A N VAL 123.A O no hydrogen 2.897 N/A ILE 212.A N SER 243.A O no hydrogen 3.147 N/A PHE 213.A N VAL 125.A O no hydrogen 2.953 N/A GLY 214.A N ILE 245.A O no hydrogen 3.375 N/A SER 216.A N GLN 247.A O no hydrogen 3.011 N/A SER 216.A OG GLY 129.A O no hydrogen 3.228 N/A SER 216.A OG HIS 462.A NE2 no hydrogen 2.710 N/A ALA 217.A N GLY 129.A O no hydrogen 2.972 N/A GLY 218.A N GLU 215.A O no hydrogen 2.899 N/A MET 220.A N SER 216.A O no hydrogen 2.935 N/A SER 221.A N ALA 217.A O no hydrogen 2.851 N/A SER 221.A OG ALA 217.A O no hydrogen 2.865 N/A VAL 222.A N GLY 218.A O no hydrogen 2.946 N/A ALA 223.A N ALA 219.A O no hydrogen 2.949 N/A HIS 224.A N MET 220.A O no hydrogen 3.082 N/A GLN 225.A N SER 221.A O no hydrogen 2.842 N/A GLN 225.A NE2 LEU 186.A O no hydrogen 3.235 N/A GLN 225.A NE2 GLN 189.A OE1 no hydrogen 2.919 N/A LEU 226.A N VAL 222.A O no hydrogen 3.042 N/A ALA 228.A N GLN 225.A O no hydrogen 3.352 N/A TYR 229.A N ILE 326.A O no hydrogen 2.769 N/A GLY 230.A N ILE 227.A O no hydrogen 2.871 N/A GLY 231.A N ALA 228.A O no hydrogen 2.921 N/A ASP 232.A N ALA 228.A O no hydrogen 3.200 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.117 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.606 N/A TYR 235.A N LYS 238.A O no hydrogen 2.752 N/A TYR 235.A OH ASP 198.A OD2 no hydrogen 2.660 N/A LYS 238.A N TYR 235.A O no hydrogen 2.889 N/A LYS 238.A NZ ASP 208.A OD1 no hydrogen 2.820 N/A LEU 240.A N ASN 233.A O no hydrogen 2.863 N/A HIS 242.A N VAL 210.A O no hydrogen 2.776 N/A ALA 244.A N PRO 344.A O no hydrogen 3.153 N/A ILE 245.A N ILE 212.A O no hydrogen 2.996 N/A LEU 246.A N ILE 346.A O no hydrogen 2.878 N/A GLN 247.A N GLY 214.A O no hydrogen 2.967 N/A GLN 247.A NE2 GLN 469.A OE1 no hydrogen 2.989 N/A SER 248.A N GLY 348.A O no hydrogen 2.926 N/A SER 248.A OG GLU 353.A OE1 no hydrogen 3.448 N/A SER 248.A OG GLU 353.A OE2 no hydrogen 2.651 N/A SER 258.A N ASP 256.A O no hydrogen 2.930 N/A SER 258.A OG.A ASP 256.A OD1 no hydrogen 2.919 N/A SER 258.A OG.A ASP 256.A OD2 no hydrogen 2.800 N/A SER 258.A OG.B GLY 543.A OXT no hydrogen 2.945 N/A SER 259.A OG ASP 263.A O no hydrogen 3.514 N/A VAL 260.A N LEU 316.A O no hydrogen 3.090 N/A GLY 261.A N TYR 376.A O no hydrogen 2.896 N/A TYR 266.A OH THR 284.A OG1 no hydrogen 2.879 N/A ARG 268.A N ILE 264.A O no hydrogen 3.229 N/A ARG 268.A NE ASP 307.A OD2 no hydrogen 3.275 N/A PHE 269.A N SER 265.A O no hydrogen 2.960 N/A ALA 270.A N TYR 266.A O no hydrogen 2.870 N/A GLN 271.A N ASN 267.A O no hydrogen 3.053 N/A TYR 272.A N ARG 268.A O no hydrogen 2.900 N/A TYR 272.A OH ASP 307.A OD1 no hydrogen 2.660 N/A ALA 273.A N PHE 269.A O no hydrogen 2.921 N/A ALA 273.A N ALA 270.A O no hydrogen 3.156 N/A GLY 274.A N GLN 271.A O no hydrogen 3.121 N/A CYS 275.A N ALA 270.A O no hydrogen 2.954 N/A SER 278.A N ASP 276.A OD1 no hydrogen 3.223 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 2.631 N/A SER 278.A OG ASP 276.A OD2 no hydrogen 3.186 N/A ALA 279.A N ASP 276.A O no hydrogen 3.354 N/A ASP 283.A N SER 280.A OG no hydrogen 3.389 N/A THR 284.A N SER 280.A O no hydrogen 2.935 N/A THR 284.A OG1 TYR 266.A OH no hydrogen 2.879 N/A THR 284.A OG1 ALA 281.A O no hydrogen 2.628 N/A LEU 285.A N ALA 281.A O no hydrogen 3.149 N/A GLU 286.A N ASN 282.A O no hydrogen 2.966 N/A CYS 287.A N ASP 283.A O no hydrogen 2.976 N/A LEU 288.A N THR 284.A O no hydrogen 2.957 N/A ARG 289.A N LEU 285.A O no hydrogen 2.918 N/A ARG 289.A NE ARG 37.A O no hydrogen 2.862 N/A ARG 289.A NH1 GLU 179.A OE2 no hydrogen 2.966 N/A ARG 289.A NH2 ARG 37.A O no hydrogen 3.179 N/A ARG 289.A NH2 GLU 179.A OE1 no hydrogen 2.944 N/A SER 290.A N CYS 287.A O no hydrogen 3.063 N/A SER 290.A OG CYS 287.A O no hydrogen 2.785 N/A LYS 291.A N LEU 288.A O no hydrogen 3.375 N/A LYS 291.A NZ ALA 273.A O no hydrogen 3.521 N/A SER 292.A OG SER 294.A OG.A no hydrogen 3.016 N/A SER 293.A OG GLU 102.A OE2 no hydrogen 2.812 N/A SER 294.A OG.A SER 292.A OG no hydrogen 3.016 N/A VAL 295.A N SER 292.A OG no hydrogen 3.263 N/A LEU 296.A N SER 292.A O no hydrogen 3.127 N/A HIS 297.A N SER 293.A O no hydrogen 2.822 N/A ASP 298.A N SER 294.A O no hydrogen 2.942 N/A ALA 299.A N VAL 295.A O no hydrogen 2.995 N/A GLN 300.A N LEU 296.A O no hydrogen 2.918 N/A GLN 300.A NE2 GLN 314.A OE1.B no hydrogen 3.437 N/A ASN 301.A N.A HIS 297.A O no hydrogen 2.916 N/A ASN 301.A N.B HIS 297.A O no hydrogen 2.914 N/A SER 302.A N ASP 298.A O no hydrogen 2.861 N/A SER 302.A OG ASP 298.A O no hydrogen 3.128 N/A TYR 303.A N ALA 299.A O no hydrogen 3.018 N/A ASP 304.A N GLN 300.A O no hydrogen 2.998 N/A LEU 305.A N ASN 301.A O.A no hydrogen 2.959 N/A LEU 305.A N ASN 301.A O.B no hydrogen 3.036 N/A LYS 306.A N SER 302.A O no hydrogen 2.819 N/A ASP 307.A N TYR 303.A O no hydrogen 2.777 N/A LEU 308.A N TYR 303.A O no hydrogen 3.131 N/A LEU 308.A N ASP 304.A O no hydrogen 3.111 N/A GLY 310.A N ASP 304.A O no hydrogen 2.873 N/A LEU 311.A N LEU 308.A O no hydrogen 3.139 N/A LEU 312.A N LEU 308.A O no hydrogen 3.011 N/A LEU 316.A N PRO 313.A O no hydrogen 3.006 N/A GLY 317.A N GLN 314.A O no hydrogen 2.967 N/A PHE 318.A N GLN 314.A O no hydrogen 3.258 N/A ARG 321.A N ASN 183.A OD1 no hydrogen 3.172 N/A ARG 321.A NE SER 258.A O no hydrogen 2.810 N/A ARG 321.A NH1 PHE 315.A O no hydrogen 2.991 N/A ARG 321.A NH1 PRO 320.A O no hydrogen 3.087 N/A ARG 321.A NH2 SER 258.A O no hydrogen 2.759 N/A ARG 321.A NH2 PHE 315.A O no hydrogen 3.142 N/A ASP 323.A N ILE 327.A O no hydrogen 2.921 N/A GLY 324.A N ILE 327.A O no hydrogen 3.108 N/A ASN 325.A N ASP 323.A OD1 no hydrogen 2.939 N/A ILE 327.A N ASP 323.A OD1 no hydrogen 3.084 N/A ALA 330.A N ASP 329.A OD1 no hydrogen 2.935 N/A LEU 334.A N ALA 330.A O no hydrogen 2.991 N/A PHE 335.A N ALA 331.A O no hydrogen 3.129 N/A ARG 336.A N TYR 332.A O no hydrogen 3.050 N/A ARG 336.A NH1 GLU 333.A OE2 no hydrogen 3.213 N/A ARG 336.A NH2 GLU 536.A O no hydrogen 2.869 N/A SER 337.A N GLU 333.A O no hydrogen 2.912 N/A SER 337.A OG GLU 333.A O no hydrogen 2.825 N/A SER 337.A OG LEU 334.A O no hydrogen 3.485 N/A GLY 338.A N PHE 335.A O no hydrogen 3.129 N/A ARG 339.A N LEU 334.A O no hydrogen 2.945 N/A ARG 339.A NE.A SER 337.A OG no hydrogen 2.934 N/A ARG 339.A NH2.A ASP 329.A OD2 no hydrogen 3.178 N/A ARG 339.A NH2.A SER 337.A OG no hydrogen 3.348 N/A TYR 340.A OH ASP 440.A OD1 no hydrogen 2.691 N/A ALA 341.A N LEU 226.A O no hydrogen 2.821 N/A LYS 342.A NZ GLY 338.A O no hydrogen 2.891 N/A LYS 342.A NZ TYR 340.A O no hydrogen 2.978 N/A VAL 343.A N ALA 341.A O no hydrogen 2.965 N/A TYR 345.A N ASN 442.A O no hydrogen 3.236 N/A TYR 345.A OH THR 438.A OG1 no hydrogen 2.741 N/A ILE 346.A N ALA 244.A O no hydrogen 3.135 N/A SER 347.A N TRP 444.A O no hydrogen 3.032 N/A GLY 348.A N LEU 246.A O no hydrogen 3.063 N/A ASN 349.A N TYR 446.A O no hydrogen 3.041 N/A ASN 349.A ND2 GLU 353.A OE2 no hydrogen 3.127 N/A GLN 350.A N GLU 353.A OE2 no hydrogen 2.893 N/A GLN 350.A NE2 TYR 480.A OH no hydrogen 3.032 N/A GLU 351.A N SER 448.A O no hydrogen 2.867 N/A ASP 352.A N THR 460.A O no hydrogen 2.902 N/A THR 355.A N ASP 352.A O no hydrogen 3.508 N/A THR 355.A OG1 ASP 352.A O no hydrogen 3.117 N/A THR 355.A OG1 LEU 458.A O no hydrogen 2.739 N/A PHE 357.A N GLY 354.A O no hydrogen 3.159 N/A ALA 358.A N GLY 354.A O no hydrogen 3.051 N/A VAL 360.A N PHE 357.A O no hydrogen 3.131 N/A ALA 361.A N ALA 358.A O no hydrogen 2.951 N/A LEU 362.A N PRO 359.A O no hydrogen 3.296 N/A ALA 364.A N ALA 361.A O no hydrogen 3.125 N/A HIS 369.A N THR 366.A O no hydrogen 3.019 N/A VAL 370.A N THR 366.A O no hydrogen 3.245 N/A LYS 371.A N THR 367.A O no hydrogen 2.937 N/A LYS 371.A NZ GLU 383.A OE2 no hydrogen 2.912 N/A LYS 371.A NZ ASP 387.A OD1 no hydrogen 3.009 N/A LYS 372.A N PRO 368.A O no hydrogen 3.072 N/A TRP 373.A N HIS 369.A O no hydrogen 3.195 N/A TRP 373.A NE1 ASN 363.A OD1 no hydrogen 2.926 N/A LEU 374.A N VAL 370.A O no hydrogen 2.946 N/A GLN 375.A N LYS 371.A O no hydrogen 2.836 N/A TYR 376.A N LYS 372.A O no hydrogen 3.128 N/A TYR 376.A N TRP 373.A O no hydrogen 3.266 N/A TYR 376.A OH ASP 307.A O no hydrogen 2.784 N/A ILE 377.A N TRP 373.A O no hydrogen 3.131 N/A PHE 378.A N.A LEU 374.A O no hydrogen 2.924 N/A PHE 378.A N.B LEU 374.A O no hydrogen 2.972 N/A ALA 381.A N PHE 378.A O.A no hydrogen 3.122 N/A ALA 381.A N PHE 378.A O.B no hydrogen 3.131 N/A SER 382.A N ASN 540.A O no hydrogen 2.964 N/A SER 382.A OG SER 385.A OG no hydrogen 2.993 N/A SER 385.A N SER 382.A OG no hydrogen 3.166 N/A SER 385.A OG SER 382.A OG no hydrogen 2.993 N/A SER 385.A OG ASP 538.A OD1 no hydrogen 3.395 N/A SER 385.A OG ASP 538.A OD2 no hydrogen 2.774 N/A ILE 386.A N SER 382.A O no hydrogen 3.218 N/A ASP 387.A N GLU 383.A O no hydrogen 2.935 N/A ARG 388.A N ALA 384.A O no hydrogen 3.017 N/A VAL 389.A N SER 385.A O no hydrogen 3.208 N/A LEU 390.A N ILE 386.A O no hydrogen 3.049 N/A SER 391.A N ASP 387.A O no hydrogen 3.109 N/A SER 391.A N ARG 388.A O no hydrogen 3.138 N/A SER 391.A OG ASP 387.A O no hydrogen 3.472 N/A SER 391.A OG ARG 388.A O no hydrogen 2.826 N/A LEU 392.A N ARG 388.A O no hydrogen 2.980 N/A TYR 393.A N VAL 389.A O no hydrogen 2.879 N/A TYR 393.A OH ASP 424.A OD2 no hydrogen 2.792 N/A VAL 399.A N THR 396.A O no hydrogen 3.311 N/A GLY 400.A N LEU 397.A O no hydrogen 3.441 N/A SER 401.A N LYS 416.A O no hydrogen 2.923 N/A SER 401.A OG ASP 352.A OD1 no hydrogen 2.763 N/A PHE 403.A N ASP 352.A OD1 no hydrogen 2.895 N/A ARG 404.A NE GLU 351.A OE2 no hydrogen 2.821 N/A ARG 404.A NH2 GLU 351.A OE1 no hydrogen 2.899 N/A ARG 404.A NH2 GLU 351.A OE2 no hydrogen 3.436 N/A THR 405.A OG1 PRO 402.A O no hydrogen 2.755 N/A LEU 408.A N THR 405.A O no hydrogen 3.143 N/A ASN 409.A ND2 THR 405.A OG1 no hydrogen 2.999 N/A LEU 411.A N ASN 409.A O no hydrogen 2.840 N/A GLN 414.A N THR 412.A OG1 no hydrogen 3.329 N/A GLN 414.A NE2 THR 365.A O no hydrogen 2.961 N/A GLN 414.A NE2 GLN 395.A OE1 no hydrogen 2.955 N/A PHE 415.A N THR 412.A O no hydrogen 3.438 N/A LYS 416.A NZ LEU 397.A O no hydrogen 3.001 N/A LYS 416.A NZ THR 405.A OG1 no hydrogen 3.125 N/A LYS 416.A NZ GLY 406.A O no hydrogen 2.802 N/A LYS 416.A NZ LEU 408.A O no hydrogen 2.866 N/A ARG 417.A NE TYR 393.A O no hydrogen 2.740 N/A ARG 417.A NH1 THR 367.A OG1 no hydrogen 2.871 N/A ARG 417.A NH1 GLN 414.A OE1 no hydrogen 2.890 N/A ARG 417.A NH2 LEU 390.A O no hydrogen 2.908 N/A ARG 417.A NH2 TYR 393.A O no hydrogen 3.386 N/A VAL 418.A N GLN 414.A O no hydrogen 3.022 N/A ALA 419.A N PHE 415.A O no hydrogen 2.915 N/A ALA 420.A N LYS 416.A O no hydrogen 3.030 N/A ILE 421.A N ARG 417.A O no hydrogen 2.954 N/A LEU 422.A N VAL 418.A O no hydrogen 2.936 N/A SER 423.A N ALA 419.A O no hydrogen 3.062 N/A SER 423.A OG ASP 424.A OD1 no hydrogen 2.904 N/A ASP 424.A N ALA 420.A O no hydrogen 3.044 N/A MET 425.A N ILE 421.A O no hydrogen 2.872 N/A LEU 426.A N LEU 422.A O no hydrogen 3.060 N/A PHE 427.A N SER 423.A O no hydrogen 3.080 N/A GLN 428.A N SER 423.A O no hydrogen 3.020 N/A SER 429.A N ASP 424.A O no hydrogen 2.933 N/A ARG 431.A N PHE 427.A O no hydrogen 3.305 N/A ARG 431.A NE ASN 349.A OD1 no hydrogen 2.823 N/A ARG 431.A NH1 THR 445.A OG1 no hydrogen 3.143 N/A ARG 431.A NH1 ASP 525.A OD2 no hydrogen 2.900 N/A ARG 431.A NH2 GLN 428.A OE1 no hydrogen 3.032 N/A ARG 431.A NH2 ASP 525.A OD1 no hydrogen 2.958 N/A ARG 431.A NH2 ASP 525.A OD2 no hydrogen 3.440 N/A ARG 432.A N GLN 428.A O no hydrogen 3.119 N/A ARG 432.A NE ASP 525.A OD1 no hydrogen 3.262 N/A ARG 432.A NE ASP 525.A OD2 no hydrogen 3.085 N/A ARG 432.A NH1 TYR 527.A O no hydrogen 3.110 N/A ARG 432.A NH2 ASP 525.A OD1 no hydrogen 2.878 N/A ARG 432.A NH2 TYR 527.A O no hydrogen 2.904 N/A VAL 433.A N SER 429.A O no hydrogen 2.884 N/A MET 434.A N PRO 430.A O no hydrogen 3.279 N/A LEU 435.A N ARG 431.A O no hydrogen 2.998 N/A SER 436.A N ARG 432.A O no hydrogen 3.078 N/A SER 436.A OG ARG 432.A O no hydrogen 2.813 N/A ALA 437.A N VAL 433.A O no hydrogen 3.114 N/A THR 438.A N MET 434.A O no hydrogen 2.930 N/A THR 438.A OG1 TYR 345.A OH no hydrogen 2.741 N/A THR 438.A OG1 MET 434.A O no hydrogen 3.192 N/A LYS 439.A N ALA 437.A O no hydrogen 3.011 N/A LYS 439.A NZ.A SER 436.A O no hydrogen 2.978 N/A LYS 439.A NZ.A ASP 507.A OD1 no hydrogen 3.067 N/A VAL 441.A N THR 438.A O no hydrogen 3.501 N/A ARG 443.A NE LEU 435.A O no hydrogen 3.021 N/A ARG 443.A NH1 VAL 441.A O no hydrogen 3.246 N/A ARG 443.A NH2 LEU 435.A O no hydrogen 2.936 N/A ARG 443.A NH2 ASP 507.A OD2 no hydrogen 3.235 N/A TRP 444.A N TYR 345.A O no hydrogen 3.078 N/A THR 445.A OG1 SER 347.A O no hydrogen 2.740 N/A LEU 447.A N LEU 513.A O no hydrogen 2.817 N/A SER 448.A N ASN 349.A O no hydrogen 2.873 N/A SER 448.A OG HIS 450.A ND1 no hydrogen 2.735 N/A SER 448.A OG TYR 480.A OH no hydrogen 2.613 N/A THR 449.A N ILE 515.A O no hydrogen 2.872 N/A THR 449.A OG1 ILE 515.A O no hydrogen 3.461 N/A HIS 450.A ND1 SER 448.A OG no hydrogen 2.735 N/A HIS 450.A NE2 ASN 464.A OD1 no hydrogen 2.721 N/A LEU 451.A N THR 460.A OG1 no hydrogen 2.890 N/A HIS 452.A N THR 449.A O no hydrogen 3.017 N/A LEU 454.A N LEU 451.A O no hydrogen 2.922 N/A PHE 457.A N ASN 409.A OD1 no hydrogen 2.820 N/A LEU 458.A N PRO 456.A O no hydrogen 2.821 N/A GLY 459.A N VAL 455.A O no hydrogen 2.910 N/A THR 460.A N ASP 352.A OD2 no hydrogen 3.088 N/A HIS 462.A ND1 GLU 353.A OE1 no hydrogen 2.869 N/A HIS 462.A NE2 SER 216.A OG no hydrogen 2.710 N/A ASN 464.A N PHE 461.A O no hydrogen 3.221 N/A ASN 464.A ND2 GLN 350.A OE1 no hydrogen 2.901 N/A ASN 464.A ND2 PHE 461.A O no hydrogen 2.764 N/A GLU 465.A N GLU 465.A OE1 no hydrogen 2.829 N/A LEU 466.A N GLY 463.A O no hydrogen 3.406 N/A ILE 467.A N ASN 464.A O no hydrogen 3.298 N/A PHE 468.A N GLU 465.A O no hydrogen 3.001 N/A GLN 469.A N GLU 465.A O no hydrogen 3.319 N/A GLN 469.A N LEU 466.A O no hydrogen 3.173 N/A GLN 469.A NE2 GLN 247.A OE1 no hydrogen 2.931 N/A PHE 470.A N LEU 466.A O no hydrogen 2.955 N/A ASN 471.A N ILE 467.A O no hydrogen 2.861 N/A ASN 471.A ND2 ASP 92.A OD2.B no hydrogen 3.128 N/A VAL 472.A N ILE 467.A O no hydrogen 2.803 N/A ASN 473.A ND2 PHE 468.A O no hydrogen 2.639 N/A ILE 474.A N VAL 472.A O no hydrogen 2.994 N/A ALA 477.A N ILE 474.A O no hydrogen 3.096 N/A SER 479.A N PRO 476.A O no hydrogen 2.969 N/A SER 479.A OG ASN 520.A OD1 no hydrogen 3.020 N/A TYR 480.A N PRO 476.A O no hydrogen 3.340 N/A TYR 480.A OH SER 448.A OG no hydrogen 2.613 N/A LEU 481.A N ALA 477.A O no hydrogen 2.815 N/A ARG 482.A N ASN 478.A O no hydrogen 2.870 N/A ARG 482.A NE GLU 148.A OE2 no hydrogen 2.998 N/A ARG 482.A NH1 THR 497.A O no hydrogen 3.185 N/A TYR 483.A N SER 479.A O no hydrogen 3.146 N/A TYR 483.A OH LEU 500.A O no hydrogen 2.782 N/A TYR 483.A OH ASN 520.A OD1 no hydrogen 3.281 N/A ILE 485.A N LEU 481.A O no hydrogen 2.969 N/A SER 486.A N ARG 482.A O no hydrogen 3.001 N/A SER 486.A OG ASP 492.A O no hydrogen 2.756 N/A SER 486.A OG VAL 495.A O no hydrogen 3.450 N/A PHE 487.A N TYR 483.A O no hydrogen 2.893 N/A ALA 488.A N PHE 484.A O no hydrogen 2.969 N/A ASN 489.A N ILE 485.A O no hydrogen 3.042 N/A ASN 489.A ND2 GLN 154.A O no hydrogen 3.221 N/A ASN 489.A ND2 ILE 485.A O no hydrogen 3.065 N/A HIS 490.A N SER 486.A O no hydrogen 2.791 N/A HIS 490.A NE2 GLN 154.A OE1 no hydrogen 2.706 N/A HIS 491.A N PHE 487.A O no hydrogen 2.789 N/A ASN 494.A N ASP 492.A OD1 no hydrogen 2.993 N/A ASN 494.A ND2 ASP 492.A OD1 no hydrogen 3.181 N/A ASN 494.A ND2 TRP 502.A O no hydrogen 2.879 N/A VAL 495.A N SER 486.A OG no hydrogen 2.820 N/A LEU 499.A N THR 497.A OG1 no hydrogen 3.232 N/A TRP 502.A N ASN 494.A OD1 no hydrogen 2.769 N/A GLN 504.A NE2 ASN 442.A OD1 no hydrogen 3.104 N/A TYR 505.A N ARG 443.A O no hydrogen 2.843 N/A THR 506.A N GLU 511.A OE1 no hydrogen 3.156 N/A THR 506.A OG1 GLU 511.A OE1 no hydrogen 2.709 N/A THR 506.A OG1 GLU 511.A OE2 no hydrogen 3.539 N/A GLY 509.A N THR 506.A OG1 no hydrogen 2.789 N/A LYS 510.A N THR 506.A O no hydrogen 2.814 N/A GLU 511.A N GLU 511.A OE1 no hydrogen 2.740 N/A MET 512.A N ARG 523.A O no hydrogen 3.063 N/A LEU 513.A N THR 445.A O no hydrogen 2.926 N/A GLU 514.A N VAL 521.A O no hydrogen 2.825 N/A ILE 515.A N LEU 447.A O no hydrogen 2.902 N/A HIS 516.A N ASP 519.A O no hydrogen 2.958 N/A HIS 516.A ND1 THR 449.A OG1 no hydrogen 3.066 N/A THR 518.A OG1 ASP 519.A OD1 no hydrogen 3.548 N/A ASN 520.A ND2 ASP 519.A O no hydrogen 2.917 N/A VAL 521.A N GLU 514.A O no hydrogen 2.999 N/A ARG 523.A N MET 512.A O no hydrogen 2.779 N/A ARG 523.A NE THR 524.A O no hydrogen 2.937 N/A ARG 523.A NH1 GLU 514.A OE1 no hydrogen 2.988 N/A ARG 523.A NH2 THR 524.A O no hydrogen 3.336 N/A ARG 523.A NH2 ASP 526.A OD1 no hydrogen 2.843 N/A THR 524.A OG1 ASP 526.A OD2 no hydrogen 2.873 N/A ASP 525.A N LYS 510.A O no hydrogen 2.855 N/A ASP 526.A N THR 524.A O no hydrogen 2.906 N/A TYR 527.A OH GLN 428.A OE1 no hydrogen 2.793 N/A ARG 528.A NE ASP 424.A OD2 no hydrogen 2.831 N/A ARG 528.A NH2 ASP 424.A OD1 no hydrogen 2.957 N/A ILE 532.A N ARG 528.A O no hydrogen 2.952 N/A SER 533.A N ILE 529.A O no hydrogen 2.898 N/A ASN 534.A N GLU 530.A O no hydrogen 3.097 N/A PHE 535.A N GLY 531.A O no hydrogen 3.417 N/A GLU 536.A N ILE 532.A O no hydrogen 3.019 N/A THR 537.A N SER 533.A O no hydrogen 3.017 N/A THR 537.A N ASN 534.A O no hydrogen 3.289 N/A THR 537.A OG1 SER 533.A O no hydrogen 3.094 N/A ASP 538.A N ASN 534.A O no hydrogen 2.890 N/A VAL 539.A N THR 537.A O no hydrogen 2.943 N/A ASN 540.A N ASP 538.A OD1 no hydrogen 3.089 N/A LEU 541.A N ASP 538.A O no hydrogen 3.063 N/A TYR 542.A N VAL 539.A O no hydrogen 3.007 N/A TYR 542.A OH PHE 535.A O no hydrogen 2.790 N/A