Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cih_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ASP 145.A O no hydrogen 3.315 N/A THR 2.A N SER 109.A O no hydrogen 3.015 N/A THR 2.A OG1 PHE 144.A O no hydrogen 2.978 N/A THR 2.A OG1 ASP 145.A OD1 no hydrogen 2.840 N/A TRP 3.A N PHE 144.A O no hydrogen 2.936 N/A TRP 3.A NE1 GLY 146.A O no hydrogen 3.071 N/A ILE 4.A N ILE 100.A O no hydrogen 3.092 N/A TRP 5.A N GLY 140.A O no hydrogen 2.998 N/A ASP 9.A N TYR 6.A O no hydrogen 3.003 N/A TYR 10.A OH PRO 151.A O no hydrogen 2.704 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.556 N/A ILE 12.A N GLY 8.A O no hydrogen 2.936 N/A TRP 13.A N ASP 9.A O no hydrogen 3.203 N/A LEU 14.A N TYR 10.A O no hydrogen 2.799 N/A GLY 15.A N GLU 11.A O no hydrogen 2.846 N/A ASN 16.A N ILE 12.A O no hydrogen 2.933 N/A ASN 16.A ND2 ASP 35.A O no hydrogen 2.722 N/A GLN 17.A N TRP 13.A O no hydrogen 3.170 N/A ASN 19.A N ASN 16.A O no hydrogen 2.984 N/A ARG 20.A NH1 GLU 305.A OE2 no hydrogen 2.623 N/A ARG 21.A N ASN 18.A O no hydrogen 3.224 N/A GLU 23.A N ALA 26.A O no hydrogen 3.071 N/A ARG 24.A N GLU 214.A O no hydrogen 2.678 N/A ARG 24.A NH1 LYS 210.A O no hydrogen 3.220 N/A ARG 24.A NH1 CYS 213.A O no hydrogen 2.846 N/A ARG 24.A NH2 LYS 210.A O no hydrogen 2.893 N/A ALA 26.A N GLU 23.A O no hydrogen 2.927 N/A PHE 28.A N ARG 21.A O no hydrogen 3.029 N/A LYS 33.A NZ PRO 350.A O no hydrogen 3.154 N/A SER 36.A OG HIS 37.A O no hydrogen 2.963 N/A HIS 37.A NE2 ASN 93.A O no hydrogen 2.937 N/A TYR 38.A N ASP 9.A OD2 no hydrogen 2.683 N/A VAL 41.A N VAL 91.A O no hydrogen 3.009 N/A GLU 42.A N THR 116.A O no hydrogen 2.919 N/A PHE 43.A N ILE 89.A O no hydrogen 2.739 N/A SER 44.A N ARG 114.A O no hydrogen 2.923 N/A SER 44.A OG ARG 114.A O no hydrogen 3.526 N/A LYS 45.A N LEU 87.A O no hydrogen 2.968 N/A LYS 45.A NZ VAL 46.A O no hydrogen 3.298 N/A LEU 47.A N HIS 85.A O no hydrogen 2.829 N/A LEU 49.A N GLY 83.A O no hydrogen 2.868 N/A GLU 53.A N LEU 80.A O no hydrogen 3.046 N/A VAL 55.A N LEU 78.A O no hydrogen 3.006 N/A PHE 56.A N LYS 103.A O no hydrogen 2.768 N/A ILE 57.A N GLU 76.A O no hydrogen 2.651 N/A ALA 58.A N TYR 101.A O no hydrogen 2.809 N/A GLU 60.A N THR 99.A O no hydrogen 2.878 N/A THR 62.A N TRP 92.A O no hydrogen 2.889 N/A TYR 63.A OH PRO 75.A O no hydrogen 2.734 N/A ASN 64.A N LYS 90.A O no hydrogen 3.144 N/A LYS 66.A N ASN 88.A O no hydrogen 2.738 N/A LYS 66.A NZ GLU 121.A OE1 no hydrogen 3.144 N/A LEU 67.A N LYS 70.A O no hydrogen 3.085 N/A ASP 68.A N SER 86.A O no hydrogen 2.941 N/A LYS 70.A N LEU 67.A O no hydrogen 2.976 N/A GLN 72.A N VAL 65.A O no hydrogen 2.818 N/A LEU 78.A N VAL 55.A O no hydrogen 3.050 N/A LEU 80.A N GLU 53.A O no hydrogen 2.788 N/A GLY 83.A N LEU 49.A O no hydrogen 2.646 N/A HIS 85.A N LEU 47.A O no hydrogen 2.788 N/A HIS 85.A ND1 GLY 83.A O no hydrogen 3.166 N/A SER 86.A N ASP 68.A OD1 no hydrogen 2.763 N/A SER 86.A OG ASN 88.A OD1 no hydrogen 3.047 N/A LEU 87.A N LYS 45.A O no hydrogen 3.057 N/A ASN 88.A N LYS 66.A O no hydrogen 2.826 N/A ASN 88.A ND2 GLU 42.A OE2 no hydrogen 3.276 N/A ILE 89.A N PHE 43.A O no hydrogen 2.698 N/A LYS 90.A N ASN 64.A OD1 no hydrogen 3.380 N/A LYS 90.A NZ ASP 119.A OD1 no hydrogen 2.599 N/A VAL 91.A N VAL 41.A O no hydrogen 2.836 N/A TRP 92.A N THR 62.A O no hydrogen 2.718 N/A ASN 93.A N VAL 39.A O no hydrogen 2.823 N/A ASN 93.A ND2 GLU 60.A O no hydrogen 3.017 N/A ASN 93.A ND2 PRO 97.A O no hydrogen 3.671 N/A GLN 94.A NE2 GLN 94.A O no hydrogen 3.382 N/A THR 96.A N ASN 93.A OD1 no hydrogen 3.178 N/A THR 99.A OG1 ILE 4.A O no hydrogen 2.912 N/A ILE 100.A N ILE 4.A O no hydrogen 3.247 N/A TYR 101.A N ALA 58.A O no hydrogen 2.737 N/A TYR 101.A OH ASP 145.A O no hydrogen 2.901 N/A VAL 102.A N SER 109.A OG no hydrogen 2.911 N/A LYS 103.A N PHE 56.A O no hydrogen 2.971 N/A GLY 104.A N ASN 108.A OD1 no hydrogen 3.085 N/A LYS 105.A NZ GLU 51.A OE2 no hydrogen 2.902 N/A THR 106.A N GLU 53.A OE1 no hydrogen 2.902 N/A THR 106.A OG1 GLU 53.A OE2 no hydrogen 2.476 N/A VAL 107.A N GLU 53.A OE1 no hydrogen 3.058 N/A ASN 108.A ND2 GLY 104.A O no hydrogen 3.345 N/A SER 109.A N VAL 102.A O no hydrogen 3.037 N/A SER 109.A OG THR 2.A O no hydrogen 2.703 N/A SER 109.A OG VAL 102.A O no hydrogen 3.205 N/A SER 112.A N ASP 110.A OD1 no hydrogen 2.805 N/A SER 112.A OG ASP 110.A OD1 no hydrogen 2.745 N/A TRP 113.A N ASP 110.A O no hydrogen 3.022 N/A TRP 113.A NE1 ASN 108.A O no hydrogen 2.843 N/A ARG 114.A N SER 44.A O no hydrogen 3.087 N/A THR 116.A N GLU 42.A O no hydrogen 3.204 N/A THR 116.A OG1 ILE 136.A O no hydrogen 3.039 N/A GLU 118.A N THR 116.A OG1 no hydrogen 3.268 N/A GLU 121.A N ASP 119.A OD2 no hydrogen 3.062 N/A TRP 122.A N SER 130.A OG no hydrogen 3.014 N/A ASP 124.A N LYS 128.A O no hydrogen 3.008 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.707 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.723 N/A GLY 127.A N ASP 124.A O no hydrogen 2.965 N/A GLY 127.A N ASP 124.A OD1 no hydrogen 3.036 N/A LYS 128.A N ASP 124.A OD1 no hydrogen 3.167 N/A SER 130.A N TRP 122.A O no hydrogen 2.763 N/A SER 130.A OG LYS 120.A O no hydrogen 3.267 N/A SER 130.A OG TRP 122.A O no hydrogen 3.502 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 3.425 N/A SER 133.A OG ASP 131.A OD2 no hydrogen 3.390 N/A THR 135.A N THR 132.A O no hydrogen 2.979 N/A THR 135.A OG1 ASP 119.A O no hydrogen 2.883 N/A THR 135.A OG1 THR 132.A O no hydrogen 3.159 N/A ALA 139.A N TRP 113.A O no hydrogen 2.741 N/A GLY 140.A N TRP 5.A O no hydrogen 2.684 N/A ASP 145.A N ASN 143.A O no hydrogen 2.963 N/A GLY 146.A N GLN 149.A OE1 no hydrogen 2.755 N/A GLN 149.A N GLY 146.A O no hydrogen 2.891 N/A ARG 150.A N THR 148.A O no hydrogen 2.789 N/A SER 152.A N GLU 60.A OE1 no hydrogen 3.046 N/A SER 152.A OG GLU 60.A OE1 no hydrogen 3.462 N/A SER 152.A OG GLU 60.A OE2 no hydrogen 2.585 N/A GLN 153.A N ARG 150.A O no hydrogen 2.933 N/A PHE 154.A N PRO 151.A O no hydrogen 3.360 N/A GLU 158.A N TYR 271.A O no hydrogen 2.903 N/A GLN 161.A NE2 GLU 267.A OE1 no hydrogen 3.561 N/A VAL 163.A N ASP 176.A O no hydrogen 2.857 N/A THR 166.A N LEU 174.A O no hydrogen 2.985 N/A GLN 168.A N GLY 172.A O no hydrogen 2.830 N/A GLN 168.A NE2 THR 166.A O no hydrogen 2.896 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.612 N/A GLY 171.A N GLN 168.A O no hydrogen 2.920 N/A ILE 173.A N ILE 257.A O no hydrogen 2.819 N/A LEU 174.A N THR 166.A O no hydrogen 2.843 N/A TYR 175.A N VAL 255.A O no hydrogen 2.716 N/A ASP 176.A N ALA 164.A O no hydrogen 2.803 N/A PHE 177.A N ARG 253.A O no hydrogen 2.840 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 2.635 N/A LYS 179.A NZ TYR 298.A OH no hydrogen 3.439 N/A GLU 180.A N THR 556.A OG1 no hydrogen 2.876 N/A THR 181.A N PHE 252.A O no hydrogen 2.833 N/A PHE 182.A N THR 181.A OG1 no hydrogen 2.852 N/A GLY 183.A N LYS 250.A O no hydrogen 3.041 N/A PHE 184.A N GLN 270.A O no hydrogen 3.126 N/A THR 186.A N SER 269.A O no hydrogen 2.914 N/A THR 186.A OG1 THR 245.A OG1 no hydrogen 2.890 N/A LEU 187.A N TYR 244.A O no hydrogen 2.787 N/A LYS 188.A N GLU 267.A O no hydrogen 2.804 N/A ASN 189.A N ASN 242.A O no hydrogen 2.906 N/A SER 191.A N GLN 264.A O no hydrogen 3.161 N/A LYS 193.A N GLU 262.A O no hydrogen 3.162 N/A GLY 194.A N LEU 221.A O no hydrogen 2.835 N/A LYS 195.A N GLU 260.A OE2 no hydrogen 2.842 N/A ILE 196.A N LEU 219.A O no hydrogen 2.834 N/A ASP 197.A N THR 258.A O no hydrogen 3.038 N/A LEU 198.A N ASP 217.A O no hydrogen 2.898 N/A TYR 199.A N TYR 256.A O no hydrogen 2.928 N/A TYR 200.A N THR 215.A O no hydrogen 3.256 N/A TYR 200.A OH ASP 217.A OD2 no hydrogen 2.509 N/A GLY 201.A N TYR 254.A O no hydrogen 3.016 N/A GLU 202.A N GLU 206.A OE1 no hydrogen 3.007 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.760 N/A GLU 206.A N SER 203.A OG no hydrogen 3.183 N/A ALA 207.A N SER 203.A O no hydrogen 3.212 N/A LYS 208.A N PRO 204.A O no hydrogen 2.959 N/A LYS 208.A NZ GLN 168.A OE1 no hydrogen 3.002 N/A LYS 208.A NZ GLU 170.A OE1 no hydrogen 3.305 N/A LYS 208.A NZ GLU 170.A OE2 no hydrogen 2.753 N/A ASP 209.A N GLU 205.A O no hydrogen 3.168 N/A ASP 209.A N GLU 206.A O no hydrogen 3.108 N/A TYR 212.A N ASP 209.A O no hydrogen 3.350 N/A TYR 212.A N ASP 209.A OD1 no hydrogen 2.986 N/A CYS 213.A N ASP 209.A O no hydrogen 2.997 N/A CYS 213.A SG THR 215.A O no hydrogen 3.409 N/A GLU 214.A N GLU 206.A OE2 no hydrogen 3.109 N/A ASP 217.A N LEU 198.A O no hydrogen 2.987 N/A LEU 219.A N ILE 196.A O no hydrogen 2.758 N/A LEU 220.A N THR 227.A O no hydrogen 2.914 N/A LEU 221.A N GLY 194.A O no hydrogen 2.853 N/A GLU 222.A N GLN 225.A O no hydrogen 2.723 N/A GLN 225.A N GLU 222.A O no hydrogen 3.043 N/A GLN 225.A NE2 GLU 222.A OE1 no hydrogen 3.304 N/A ILE 226.A N SER 235.A O no hydrogen 3.060 N/A THR 227.A N LEU 220.A O no hydrogen 2.992 N/A THR 227.A OG1 THR 234.A OG1 no hydrogen 2.643 N/A ASP 228.A N SER 233.A O no hydrogen 3.101 N/A LEU 229.A N LYS 218.A O no hydrogen 2.819 N/A ILE 231.A N ASP 228.A OD1 no hydrogen 3.257 N/A SER 233.A N ASP 228.A O no hydrogen 3.213 N/A SER 233.A OG GLU 247.A OE1 no hydrogen 2.647 N/A SER 233.A OG GLU 247.A OE2 no hydrogen 3.473 N/A THR 234.A OG1 THR 227.A OG1 no hydrogen 2.643 N/A SER 235.A N ILE 226.A O no hydrogen 2.888 N/A LEU 237.A N GLY 224.A O no hydrogen 2.632 N/A TYR 244.A N LEU 187.A O no hydrogen 3.046 N/A THR 245.A OG1 THR 186.A OG1 no hydrogen 2.890 N/A LEU 246.A N ILE 185.A O no hydrogen 2.840 N/A LYS 250.A N GLY 183.A O no hydrogen 2.820 N/A PHE 252.A N THR 181.A O no hydrogen 2.987 N/A ARG 253.A N GLY 201.A O no hydrogen 2.950 N/A ARG 253.A NE ASP 176.A OD1 no hydrogen 3.098 N/A ARG 253.A NH2 ASP 176.A OD2 no hydrogen 3.408 N/A TYR 254.A N GLY 201.A O no hydrogen 3.015 N/A TYR 254.A OH ASP 176.A OD2 no hydrogen 3.363 N/A VAL 255.A N TYR 175.A O no hydrogen 2.915 N/A TYR 256.A N TYR 199.A O no hydrogen 2.866 N/A TYR 256.A OH GLY 171.A O no hydrogen 2.765 N/A ILE 257.A N ILE 173.A O no hydrogen 2.844 N/A THR 258.A N ASP 197.A O no hydrogen 3.104 N/A HIS 259.A ND1 GLU 260.A O no hydrogen 2.889 N/A GLU 260.A N LYS 195.A O no hydrogen 3.025 N/A VAL 263.A N GLU 260.A O no hydrogen 3.127 N/A GLN 264.A N SER 191.A O no hydrogen 3.011 N/A GLY 266.A N ASN 189.A O no hydrogen 2.984 N/A GLU 267.A N LYS 188.A O no hydrogen 2.880 N/A SER 269.A N THR 186.A O no hydrogen 3.058 N/A TYR 271.A N GLU 158.A O no hydrogen 2.708 N/A GLU 272.A N PHE 182.A O no hydrogen 3.143 N/A TYR 278.A OH HIS 300.A ND1 no hydrogen 2.672 N/A ARG 279.A N GLU 277.A O no hydrogen 2.719 N/A ARG 279.A NH1 THR 628.A O no hydrogen 3.260 N/A ARG 279.A NH2 THR 628.A O no hydrogen 3.127 N/A ARG 279.A NH2 ASP 632.A OD1 no hydrogen 2.891 N/A GLY 280.A N LEU 331.A O no hydrogen 2.724 N/A ASN 281.A N THR 625.A O no hydrogen 3.105 N/A ARG 283.A N GLU 623.A O no hydrogen 3.130 N/A CYS 284.A N ASN 290.A OD1 no hydrogen 2.894 N/A CYS 284.A SG ASP 286.A O no hydrogen 3.419 N/A CYS 284.A SG ASN 290.A OD1 no hydrogen 3.150 N/A ASN 285.A N TRP 622.A O no hydrogen 3.244 N/A GLU 288.A N ASP 286.A OD1 no hydrogen 3.088 N/A LEU 289.A N ASP 286.A OD1 no hydrogen 3.329 N/A ASN 290.A N ASP 286.A O no hydrogen 3.189 N/A ASN 290.A ND2 CYS 284.A O no hydrogen 3.260 N/A CYS 291.A N GLU 287.A O no hydrogen 3.080 N/A ILE 292.A N GLU 288.A O no hydrogen 2.891 N/A TRP 293.A N LEU 289.A O no hydrogen 2.787 N/A GLU 294.A N ASN 290.A O no hydrogen 3.082 N/A VAL 295.A N CYS 291.A O no hydrogen 2.864 N/A GLY 296.A N ILE 292.A O no hydrogen 2.822 N/A ALA 297.A N TRP 293.A O no hydrogen 2.838 N/A TYR 298.A N GLU 294.A O no hydrogen 3.002 N/A TYR 298.A OH GLU 180.A O no hydrogen 2.522 N/A THR 299.A N VAL 295.A O no hydrogen 2.950 N/A THR 299.A OG1 VAL 295.A O no hydrogen 2.749 N/A HIS 300.A ND1 TYR 278.A OH no hydrogen 2.672 N/A HIS 300.A NE2 LEU 274.A O no hydrogen 2.910 N/A LEU 301.A N TYR 298.A O no hydrogen 3.023 N/A THR 302.A N THR 299.A O no hydrogen 3.079 N/A THR 302.A OG1 THR 299.A O no hydrogen 2.818 N/A THR 303.A N HIS 300.A O no hydrogen 3.031 N/A ARG 304.A N PHE 306.A O no hydrogen 2.986 N/A ARG 304.A NE LEU 301.A O no hydrogen 2.674 N/A ARG 304.A NH2 GLU 272.A O no hydrogen 2.926 N/A GLU 305.A N GLU 305.A OE1 no hydrogen 2.804 N/A PHE 307.A N THR 341.A OG1 no hydrogen 3.119 N/A ILE 308.A N THR 302.A O no hydrogen 2.999 N/A ASP 309.A N TRP 316.A O no hydrogen 3.088 N/A LYS 312.A NZ GLU 202.A OE1 no hydrogen 2.798 N/A LYS 312.A NZ GLU 206.A OE1 no hydrogen 3.232 N/A LYS 312.A NZ GLU 206.A OE2 no hydrogen 3.363 N/A LYS 312.A NZ TYR 578.A O no hydrogen 2.819 N/A LYS 312.A NZ LYS 580.A O no hydrogen 3.001 N/A ARG 313.A NE ASP 314.A OD1 no hydrogen 2.562 N/A ARG 313.A NH1 GLU 560.A OE1 no hydrogen 2.723 N/A ARG 313.A NH1 GLY 579.A O no hydrogen 2.896 N/A ARG 313.A NH2 ASP 314.A OD1 no hydrogen 3.409 N/A ARG 313.A NH2 GLU 560.A OE1 no hydrogen 3.402 N/A ARG 313.A NH2 GLU 560.A OE2 no hydrogen 2.754 N/A ARG 315.A NH1 SER 249.A O no hydrogen 3.017 N/A ARG 315.A NH2 SER 249.A OG no hydrogen 3.017 N/A TRP 316.A N ASP 309.A OD1 no hydrogen 2.971 N/A VAL 317.A N ASN 18.A OD1 no hydrogen 3.106 N/A TRP 318.A NE1 ASP 314.A OD2 no hydrogen 3.005 N/A SER 319.A N ASN 356.A OD1 no hydrogen 2.841 N/A SER 319.A OG TYR 360.A O no hydrogen 2.674 N/A ALA 322.A N TRP 318.A O no hydrogen 2.831 N/A ILE 323.A N SER 319.A O no hydrogen 3.086 N/A GLN 324.A NE2 TYR 525.A O no hydrogen 2.877 N/A SER 325.A N ASP 321.A O no hydrogen 3.034 N/A SER 325.A OG ASP 321.A O no hydrogen 3.245 N/A TYR 326.A N ALA 322.A O no hydrogen 2.892 N/A LEU 327.A N ILE 323.A O no hydrogen 3.287 N/A TYR 329.A N TYR 326.A O no hydrogen 3.023 N/A TYR 329.A N LEU 327.A O no hydrogen 3.108 N/A TYR 330.A OH TYR 373.A OH no hydrogen 2.840 N/A TYR 330.A OH VAL 601.A O no hydrogen 2.754 N/A LEU 331.A N ASN 328.A O no hydrogen 3.094 N/A PHE 333.A N ASN 328.A O no hydrogen 2.666 N/A SER 337.A N ASP 334.A OD1 no hydrogen 3.265 N/A SER 337.A OG ASP 334.A OD2 no hydrogen 2.483 N/A VAL 338.A N ASP 334.A O no hydrogen 3.326 N/A LYS 339.A N SER 335.A O no hydrogen 3.146 N/A LYS 339.A NZ GLU 336.A OE2 no hydrogen 3.226 N/A LYS 339.A NZ ASP 376.A OD2 no hydrogen 3.566 N/A ARG 340.A N GLU 336.A O no hydrogen 3.049 N/A ARG 340.A NE GLU 305.A O no hydrogen 3.026 N/A ARG 340.A NH2 GLU 305.A O no hydrogen 3.105 N/A THR 341.A N SER 337.A O no hydrogen 3.067 N/A THR 341.A OG1 SER 337.A O no hydrogen 2.934 N/A ILE 342.A N VAL 338.A O no hydrogen 3.012 N/A TRP 343.A N LYS 339.A O no hydrogen 2.921 N/A LEU 344.A N ARG 340.A O no hydrogen 2.992 N/A LEU 345.A N THR 341.A O no hydrogen 2.971 N/A ARG 346.A N ILE 342.A O no hydrogen 3.286 N/A ARG 346.A NE ARG 386.A O no hydrogen 2.858 N/A ARG 346.A NH1 ARG 346.A O no hydrogen 2.811 N/A ARG 346.A NH2 ASP 349.A OD1 no hydrogen 2.901 N/A ARG 346.A NH2 ARG 386.A O no hydrogen 2.914 N/A GLY 347.A N TRP 343.A O no hydrogen 3.323 N/A GLY 347.A N LEU 344.A O no hydrogen 3.203 N/A LYS 348.A N ASP 35.A OD2 no hydrogen 2.888 N/A LYS 348.A NZ SER 36.A O no hydrogen 3.091 N/A SER 353.A OG HIS 354.A O no hydrogen 3.212 N/A HIS 354.A ND1 THR 361.A OG1 no hydrogen 2.808 N/A SER 355.A N THR 361.A OG1 no hydrogen 2.929 N/A ASN 356.A ND2 VAL 317.A O no hydrogen 3.452 N/A THR 357.A N HIS 354.A O no hydrogen 2.653 N/A THR 357.A OG1 ASN 356.A O no hydrogen 2.467 N/A ILE 358.A N SER 355.A O no hydrogen 2.900 N/A TYR 360.A N ILE 358.A O no hydrogen 2.897 N/A THR 361.A N ILE 358.A O no hydrogen 3.232 N/A THR 361.A OG1 HIS 354.A ND1 no hydrogen 2.808 N/A TYR 363.A N ASP 359.A O no hydrogen 3.185 N/A TRP 364.A N TYR 360.A O no hydrogen 3.193 N/A TRP 364.A NE1 ILE 342.A O no hydrogen 3.104 N/A PHE 365.A N THR 361.A O no hydrogen 3.333 N/A LEU 366.A N PHE 362.A O no hydrogen 2.997 N/A SER 367.A N TYR 363.A O no hydrogen 2.744 N/A SER 367.A OG TRP 364.A O no hydrogen 2.853 N/A VAL 368.A N PHE 365.A O no hydrogen 3.180 N/A ASP 370.A N LEU 366.A O no hydrogen 3.031 N/A TYR 371.A N SER 367.A O no hydrogen 2.976 N/A TYR 371.A OH ASP 376.A OD2 no hydrogen 2.670 N/A TYR 372.A N VAL 368.A O no hydrogen 3.083 N/A TYR 373.A OH TYR 330.A OH no hydrogen 2.840 N/A SER 374.A N TYR 371.A O no hydrogen 2.873 N/A SER 374.A OG TYR 371.A O no hydrogen 2.682 N/A GLY 375.A N TYR 372.A O no hydrogen 2.623 N/A ASP 376.A N SER 374.A OG no hydrogen 3.113 N/A ARG 377.A N GLY 375.A O no hydrogen 2.921 N/A ARG 377.A NH1 LEU 441.A O no hydrogen 3.216 N/A PHE 379.A N ASP 376.A OD1 no hydrogen 3.109 N/A ASN 381.A N ARG 377.A O no hydrogen 3.048 N/A GLN 382.A N HIS 378.A O no hydrogen 3.034 N/A GLN 382.A NE2 ASP 138.A O no hydrogen 2.903 N/A LEU 383.A N PHE 379.A O no hydrogen 2.963 N/A TYR 384.A N VAL 380.A O no hydrogen 2.858 N/A TYR 384.A OH ASP 444.A OD2 no hydrogen 2.585 N/A THR 388.A N PRO 385.A O no hydrogen 3.192 N/A THR 388.A OG1 ASP 349.A OD1 no hydrogen 3.083 N/A THR 388.A OG1 ASP 349.A OD2 no hydrogen 3.276 N/A THR 388.A OG1 PRO 385.A O no hydrogen 3.429 N/A THR 388.A OG1 ARG 386.A O no hydrogen 3.198 N/A TYR 390.A N THR 388.A O no hydrogen 3.301 N/A GLY 393.A N ASP 389.A O no hydrogen 3.122 N/A ARG 394.A N VAL 391.A O no hydrogen 2.805 N/A ARG 394.A NH1 ASP 405.A OD2 no hydrogen 2.874 N/A THR 395.A OG1 LEU 392.A O no hydrogen 3.454 N/A ASN 396.A ND2 GLU 401.A OE2 no hydrogen 2.839 N/A ASN 396.A ND2 GLU 421.A OE2 no hydrogen 2.757 N/A ASN 398.A N ASN 396.A OD1 no hydrogen 2.833 N/A GLY 399.A N ASN 396.A O no hydrogen 2.869 N/A TRP 406.A N THR 357.A O no hydrogen 3.035 N/A PHE 408.A N ASP 359.A OD1 no hydrogen 3.225 N/A VAL 409.A N ASP 359.A OD2 no hydrogen 2.968 N/A ASP 410.A N PHE 408.A O no hydrogen 2.760 N/A TRP 411.A N ASP 410.A OD1 no hydrogen 2.627 N/A TYR 415.A N ALA 412.A O no hydrogen 3.159 N/A LYS 418.A NZ VAL 407.A O no hydrogen 2.843 N/A LYS 418.A NZ PHE 408.A O no hydrogen 2.951 N/A LYS 419.A N ASP 417.A OD1 no hydrogen 2.996 N/A LYS 419.A NZ ASP 417.A OD1 no hydrogen 3.181 N/A GLU 421.A N CYS 478.A O no hydrogen 2.807 N/A SER 423.A N HIS 476.A O no hydrogen 3.068 N/A SER 423.A OG VAL 475.A O no hydrogen 2.839 N/A SER 423.A OG HIS 476.A O no hydrogen 3.024 N/A GLN 426.A N LEU 422.A O no hydrogen 3.264 N/A VAL 427.A N SER 423.A O no hydrogen 3.074 N/A LEU 428.A N PHE 424.A O no hydrogen 3.061 N/A PHE 429.A N GLU 425.A O no hydrogen 2.781 N/A CYS 430.A N GLN 426.A O no hydrogen 2.779 N/A CYS 430.A SG ALA 455.A O no hydrogen 3.736 N/A CYS 430.A SG TYR 499.A OH no hydrogen 3.643 N/A ARG 431.A N VAL 427.A O no hydrogen 3.089 N/A SER 432.A N LEU 428.A O no hydrogen 2.899 N/A SER 432.A OG LEU 428.A O no hydrogen 2.771 N/A LEU 433.A N PHE 429.A O no hydrogen 3.009 N/A GLU 434.A N CYS 430.A O no hydrogen 3.028 N/A THR 435.A N ARG 431.A O no hydrogen 2.796 N/A THR 435.A OG1 ARG 431.A O no hydrogen 2.970 N/A LEU 437.A N GLU 434.A O no hydrogen 2.959 N/A CYS 438.A N THR 435.A O no hydrogen 2.844 N/A CYS 438.A SG THR 435.A O no hydrogen 3.363 N/A ASP 440.A N ALA 436.A O no hydrogen 3.026 N/A LEU 441.A N LEU 437.A O no hydrogen 3.116 N/A VAL 442.A N CYS 438.A O no hydrogen 2.930 N/A GLY 443.A N ASP 440.A O no hydrogen 3.214 N/A ASP 444.A N ALA 439.A O no hydrogen 2.874 N/A LYS 445.A NZ GLN 448.A OE1 no hydrogen 2.823 N/A GLY 447.A N ASP 444.A OD1 no hydrogen 3.060 N/A GLN 448.A N ASP 444.A O no hydrogen 2.959 N/A GLN 448.A NE2 GLU 452.A OE2 no hydrogen 2.992 N/A GLN 449.A N LYS 445.A O no hydrogen 2.994 N/A LYS 450.A N ASP 446.A O no hydrogen 3.177 N/A TYR 451.A N GLY 447.A O no hydrogen 2.885 N/A GLU 452.A N GLN 448.A O no hydrogen 2.955 N/A LYS 453.A N GLN 449.A O no hydrogen 2.989 N/A LEU 454.A N LYS 450.A O no hydrogen 3.062 N/A ALA 455.A N TYR 451.A O no hydrogen 2.811 N/A SER 456.A N GLU 452.A O no hydrogen 2.828 N/A ALA 457.A N LYS 453.A O no hydrogen 3.069 N/A LEU 458.A N LEU 454.A O no hydrogen 3.117 N/A LYS 459.A N ALA 455.A O no hydrogen 2.951 N/A LYS 459.A NZ GLU 434.A OE2 no hydrogen 3.235 N/A ALA 460.A N SER 456.A O no hydrogen 3.208 N/A LYS 461.A N LEU 458.A O no hydrogen 2.926 N/A LYS 461.A NZ ASN 398.A O no hydrogen 2.799 N/A LEU 462.A N LYS 459.A O no hydrogen 3.111 N/A THR 465.A N LYS 461.A O no hydrogen 3.008 N/A THR 465.A OG1 LYS 461.A O no hydrogen 2.772 N/A PHE 466.A N LEU 462.A O no hydrogen 2.818 N/A TRP 467.A N GLU 463.A O no hydrogen 2.958 N/A ASN 468.A N ALA 473.A O no hydrogen 2.942 N/A ASN 468.A ND2 GLN 483.A OE1 no hydrogen 3.293 N/A LYS 471.A N ASN 468.A OD1 no hydrogen 2.745 N/A GLN 472.A N ASN 469.A O no hydrogen 3.273 N/A ALA 473.A N ASN 468.A O no hydrogen 3.339 N/A PHE 474.A N ASN 492.A OD1 no hydrogen 2.828 N/A VAL 475.A N PHE 466.A O no hydrogen 2.947 N/A HIS 476.A N ALA 486.A O no hydrogen 2.789 N/A HIS 476.A ND1 THR 488.A OG1 no hydrogen 2.788 N/A HIS 476.A NE2 ASP 417.A O no hydrogen 2.805 N/A ASN 477.A N SER 484.A OG no hydrogen 3.139 N/A ASN 477.A ND2 ASP 417.A OD2 no hydrogen 3.118 N/A ASN 477.A ND2 LYS 419.A O no hydrogen 2.835 N/A CYS 478.A N GLU 421.A O no hydrogen 2.942 N/A CYS 478.A SG THR 465.A O no hydrogen 3.480 N/A VAL 479.A N ARG 482.A O no hydrogen 2.997 N/A ARG 482.A N VAL 479.A O no hydrogen 2.896 N/A GLN 483.A NE2 THR 465.A O no hydrogen 2.934 N/A GLN 483.A NE2 TRP 467.A O no hydrogen 3.095 N/A SER 484.A N ASN 477.A O no hydrogen 2.966 N/A SER 484.A OG ASN 477.A O no hydrogen 3.250 N/A SER 484.A OG ASN 477.A OD1 no hydrogen 3.139 N/A SER 484.A OG ALA 486.A O no hydrogen 3.059 N/A THR 488.A OG1 HIS 476.A ND1 no hydrogen 2.788 N/A ARG 489.A NE LEU 519.A O no hydrogen 2.911 N/A ARG 489.A NH1 LEU 513.A O no hydrogen 3.350 N/A ARG 489.A NH2 ILE 518.A O no hydrogen 2.950 N/A TYR 490.A OH ASP 410.A OD2 no hydrogen 2.756 N/A ASN 492.A ND2 PHE 474.A O no hydrogen 3.227 N/A ASN 492.A ND2 THR 488.A O no hydrogen 3.043 N/A SER 494.A N ALA 491.A O no hydrogen 3.044 N/A SER 494.A OG ALA 491.A O no hydrogen 2.772 N/A PHE 497.A N PHE 493.A O no hydrogen 2.910 N/A ASP 498.A N VAL 495.A O no hydrogen 3.292 N/A TYR 499.A N SER 494.A O no hydrogen 2.911 N/A TYR 499.A OH GLU 434.A OE1 no hydrogen 2.716 N/A LYS 504.A N ASN 501.A OD1 no hydrogen 2.852 N/A GLN 505.A N ASN 501.A O no hydrogen 2.981 N/A GLN 505.A NE2 LEU 500.A O no hydrogen 2.769 N/A GLN 506.A N ALA 502.A O no hydrogen 3.179 N/A ALA 507.A N ASP 503.A O no hydrogen 3.113 N/A ILE 508.A N LYS 504.A O no hydrogen 2.901 N/A LYS 509.A N GLN 505.A O no hydrogen 3.083 N/A LYS 509.A NZ GLN 506.A OE1 no hydrogen 2.744 N/A LYS 509.A NZ GLU 538.A OE2 no hydrogen 2.958 N/A GLN 510.A N GLN 506.A O no hydrogen 3.310 N/A SER 511.A N ALA 507.A O no hydrogen 2.808 N/A SER 511.A OG LYS 471.A O no hydrogen 3.455 N/A SER 511.A OG GLN 472.A O no hydrogen 2.666 N/A SER 511.A OG ALA 507.A O no hydrogen 3.157 N/A VAL 512.A N ILE 508.A O no hydrogen 2.788 N/A LEU 513.A N ILE 508.A O no hydrogen 2.946 N/A LEU 514.A N LYS 509.A O no hydrogen 2.794 N/A ASN 515.A N VAL 512.A O no hydrogen 3.278 N/A ASN 515.A ND2 SER 511.A O no hydrogen 3.214 N/A GLU 517.A N ASN 515.A OD1 no hydrogen 2.748 N/A ILE 518.A N ASN 515.A O no hydrogen 3.022 N/A LYS 520.A NZ ASP 516.A OD1 no hydrogen 3.087 N/A THR 523.A OG1 ASP 410.A OD1 no hydrogen 2.898 N/A THR 523.A OG1 ASP 410.A OD2 no hydrogen 3.565 N/A ARG 526.A NE GLU 529.A OE1 no hydrogen 2.933 N/A ARG 526.A NH2 GLU 529.A OE1 no hydrogen 3.066 N/A ARG 526.A NH2 GLU 544.A OE1 no hydrogen 3.063 N/A PHE 527.A N PRO 524.A O no hydrogen 3.016 N/A LEU 530.A N ARG 526.A O no hydrogen 2.852 N/A GLU 531.A N PHE 527.A O no hydrogen 3.101 N/A ALA 532.A N TYR 528.A O no hydrogen 3.002 N/A LEU 533.A N GLU 529.A O no hydrogen 3.255 N/A CYS 534.A N LEU 530.A O no hydrogen 2.852 N/A CYS 534.A SG LEU 530.A O no hydrogen 3.325 N/A ALA 535.A N GLU 531.A O no hydrogen 2.833 N/A LEU 536.A N ALA 532.A O no hydrogen 3.051 N/A GLY 537.A N CYS 534.A O no hydrogen 2.844 N/A GLU 538.A N LEU 533.A O no hydrogen 2.810 N/A GLN 539.A NE2 CYS 534.A O no hydrogen 3.512 N/A GLN 539.A NE2 TYR 597.A O no hydrogen 3.130 N/A VAL 542.A N GLU 538.A O no hydrogen 3.162 N/A GLU 544.A N THR 541.A O no hydrogen 2.999 N/A LYS 545.A NZ ASP 286.A OD1 no hydrogen 2.913 N/A LYS 545.A NZ ASP 286.A OD2 no hydrogen 2.785 N/A LYS 545.A NZ GLU 288.A OE1 no hydrogen 2.570 N/A ALA 546.A N LYS 543.A O no hydrogen 3.263 N/A TYR 547.A N GLU 544.A O no hydrogen 2.775 N/A TYR 547.A OH TYR 562.A O no hydrogen 2.764 N/A TRP 548.A NE1 GLY 587.A O no hydrogen 2.718 N/A GLY 549.A N LYS 545.A O no hydrogen 2.915 N/A LYS 552.A N GLY 549.A O no hydrogen 3.011 N/A GLY 554.A N LEU 551.A O no hydrogen 2.710 N/A SER 557.A OG LEU 582.A O no hydrogen 2.554 N/A PHE 558.A N THR 299.A OG1 no hydrogen 3.077 N/A GLU 560.A N SER 581.A O no hydrogen 3.043 N/A LYS 561.A NZ TRP 411.A O no hydrogen 3.260 N/A LYS 561.A NZ ASP 413.A OD1 no hydrogen 2.752 N/A TYR 562.A N THR 522.A O no hydrogen 2.932 N/A GLU 565.A N ASN 563.A OD1 no hydrogen 2.914 N/A GLU 566.A N ASN 563.A O no hydrogen 2.880 N/A SER 567.A N GLN 570.A OE1 no hydrogen 2.970 N/A GLN 570.A N SER 567.A O no hydrogen 3.194 N/A HIS 571.A N GLY 568.A O no hydrogen 3.069 N/A LEU 572.A N THR 569.A O no hydrogen 3.019 N/A ALA 573.A N GLN 570.A O no hydrogen 3.441 N/A TYR 574.A OH GLU 560.A OE2 no hydrogen 2.792 N/A TYR 578.A OH ASP 209.A OD2 no hydrogen 2.682 N/A GLY 579.A N ARG 576.A O no hydrogen 3.226 N/A LYS 580.A N LEU 572.A O no hydrogen 3.269 N/A LYS 580.A NZ LYS 561.A O no hydrogen 2.786 N/A LYS 580.A NZ HIS 571.A O no hydrogen 2.884 N/A SER 581.A N GLU 560.A OE1 no hydrogen 3.015 N/A SER 581.A OG HIS 584.A ND1 no hydrogen 2.910 N/A LEU 582.A N GLU 202.A OE1 no hydrogen 2.962 N/A LEU 582.A N GLU 202.A OE2 no hydrogen 3.269 N/A CYS 583.A N SER 581.A OG no hydrogen 3.265 N/A HIS 584.A N PHE 558.A O no hydrogen 2.928 N/A HIS 584.A ND1 SER 581.A OG no hydrogen 2.910 N/A ALA 585.A N ASP 309.A O no hydrogen 2.730 N/A TRP 586.A NE1 GLU 560.A O no hydrogen 2.703 N/A GLY 587.A N HIS 584.A O no hydrogen 2.757 N/A ALA 588.A N ALA 585.A O no hydrogen 3.125 N/A SER 589.A OG PRO 524.A O no hydrogen 3.146 N/A SER 589.A OG TRP 586.A O no hydrogen 3.494 N/A ILE 591.A N ALA 588.A O no hydrogen 3.052 N/A TYR 592.A N SER 589.A O no hydrogen 2.909 N/A TYR 592.A OH GLU 531.A OE2 no hydrogen 2.679 N/A LEU 593.A N SER 589.A O no hydrogen 3.320 N/A LEU 594.A N PRO 590.A O no hydrogen 2.866 N/A GLY 595.A N ILE 591.A O no hydrogen 3.404 N/A LYS 596.A N TYR 592.A O no hydrogen 2.949 N/A LYS 596.A NZ TYR 592.A OH no hydrogen 3.230 N/A TYR 597.A N LEU 593.A O no hydrogen 2.845 N/A TYR 597.A OH GLU 531.A OE2 no hydrogen 2.481 N/A TYR 598.A N LEU 594.A O no hydrogen 3.064 N/A TYR 598.A OH GLN 539.A O no hydrogen 2.509 N/A LEU 599.A N LEU 594.A O no hydrogen 2.736 N/A VAL 601.A N GLY 595.A O no hydrogen 3.253 N/A LYS 602.A N ALA 612.A O no hydrogen 3.207 N/A THR 604.A N GLU 610.A O no hydrogen 2.729 N/A LYS 605.A N GLU 610.A O no hydrogen 3.137 N/A LYS 605.A NZ GLU 610.A OE1 no hydrogen 3.138 N/A LYS 605.A NZ GLU 610.A OE2 no hydrogen 3.351 N/A LYS 609.A N LYS 605.A O no hydrogen 3.238 N/A LYS 609.A N GLU 606.A O no hydrogen 3.019 N/A PHE 611.A N LYS 649.A O no hydrogen 2.723 N/A ALA 612.A N LYS 602.A O no hydrogen 2.996 N/A VAL 613.A N TYR 651.A O no hydrogen 3.018 N/A SER 614.A N GLY 600.A O no hydrogen 2.739 N/A VAL 616.A N TYR 598.A O no hydrogen 2.922 N/A LEU 620.A N LEU 617.A O no hydrogen 3.213 N/A LYS 621.A N ASN 285.A OD1 no hydrogen 2.758 N/A TRP 622.A N ASN 285.A OD1 no hydrogen 3.275 N/A GLY 624.A N VAL 635.A O no hydrogen 3.042 N/A THR 625.A N ASN 281.A O no hydrogen 2.984 N/A THR 625.A OG1 HIS 634.A ND1 no hydrogen 3.130 N/A VAL 626.A N ILE 633.A O no hydrogen 3.062 N/A THR 628.A N GLY 631.A O no hydrogen 2.956 N/A THR 628.A OG1 GLU 647.A OE1 no hydrogen 2.585 N/A ASN 630.A N GLU 647.A OE1 no hydrogen 2.861 N/A GLY 631.A N THR 628.A O no hydrogen 3.418 N/A ASP 632.A N THR 646.A OG1 no hydrogen 2.718 N/A ILE 633.A N VAL 626.A O no hydrogen 2.893 N/A HIS 634.A N LYS 644.A O no hydrogen 2.996 N/A HIS 634.A ND1 THR 625.A OG1 no hydrogen 3.130 N/A VAL 635.A N GLY 624.A O no hydrogen 3.010 N/A TYR 636.A N LYS 642.A O no hydrogen 2.761 N/A TYR 636.A OH ASP 637.A OD2 no hydrogen 2.669 N/A LYS 639.A N ASP 637.A OD1 no hydrogen 2.680 N/A THR 640.A N ASP 637.A OD1 no hydrogen 2.544 N/A ILE 641.A N VAL 686.A O no hydrogen 2.940 N/A LYS 642.A N TYR 636.A O no hydrogen 2.810 N/A VAL 643.A N ARG 684.A O no hydrogen 3.032 N/A LYS 644.A N HIS 634.A O no hydrogen 2.951 N/A THR 646.A N ASP 632.A O no hydrogen 2.985 N/A THR 646.A OG1 ASP 632.A O no hydrogen 3.300 N/A GLY 650.A N ILE 678.A O no hydrogen 3.028 N/A LEU 652.A N LEU 676.A O no hydrogen 2.793 N/A THR 653.A N VAL 613.A O no hydrogen 2.949 N/A ILE 654.A N TRP 674.A O no hydrogen 2.721 N/A SER 656.A N GLY 672.A O no hydrogen 2.996 N/A SER 656.A OG ARG 658.A O no hydrogen 2.843 N/A SER 656.A OG ARG 689.A O no hydrogen 3.242 N/A ARG 657.A N ARG 689.A O no hydrogen 3.127 N/A LYS 661.A N THR 687.A O no hydrogen 3.002 N/A ASN 663.A N ILE 685.A O no hydrogen 3.017 N/A GLU 667.A N ARG 675.A O no hydrogen 2.856 N/A VAL 669.A N VAL 673.A O no hydrogen 2.896 N/A SER 670.A N VAL 673.A O no hydrogen 3.258 N/A VAL 673.A N SER 670.A O no hydrogen 3.115 N/A TRP 674.A N ILE 654.A O no hydrogen 2.739 N/A ARG 675.A N GLU 667.A O no hydrogen 2.721 N/A LEU 676.A N LEU 652.A O no hydrogen 2.855 N/A ILE 678.A N GLY 650.A O no hydrogen 2.816 N/A SER 680.A OG GLU 682.A OE2 no hydrogen 3.266 N/A ARG 684.A N VAL 643.A O no hydrogen 2.822 N/A ARG 684.A NE GLU 682.A O no hydrogen 3.010 N/A ARG 684.A NH1 TRP 677.A O no hydrogen 3.523 N/A ARG 684.A NH2 ASP 679.A OD1 no hydrogen 3.051 N/A ARG 684.A NH2 SER 680.A OG no hydrogen 3.058 N/A VAL 686.A N ILE 641.A O no hydrogen 2.988 N/A THR 687.A N LYS 661.A O no hydrogen 2.971 N/A TYR 688.A N LYS 639.A O no hydrogen 3.067 N/A TYR 688.A OH ASP 637.A O no hydrogen 2.710 N/A ARG 689.A N SER 656.A OG no hydrogen 3.178 N/A