Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q8i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N VAL 125.A O no hydrogen 2.959 N/A GLY 4.A N VAL 123.A O no hydrogen 2.858 N/A PHE 5.A N ALA 25.A O no hydrogen 2.874 N/A ILE 6.A N SER 121.A O no hydrogen 2.896 N/A LEU 7.A N TRP 23.A O no hydrogen 2.730 N/A THR 8.A N TRP 23.A O no hydrogen 3.436 N/A THR 8.A OG1 HIS 10.A NE2 no hydrogen 2.573 N/A HIS 10.A N SER 21.A O no hydrogen 2.848 N/A HIS 10.A NE2 THR 8.A OG1 no hydrogen 2.573 N/A ARG 12.A N GLU 19.A O no hydrogen 3.035 N/A ARG 12.A NH2 GLU 19.A OE1 no hydrogen 2.613 N/A THR 14.A N GLY 17.A O no hydrogen 3.293 N/A THR 14.A OG1 GLY 17.A O no hydrogen 2.538 N/A GLN 16.A N THR 14.A OG1 no hydrogen 3.109 N/A GLY 17.A N THR 14.A O no hydrogen 2.851 N/A THR 18.A OG1 ASP 13.A OD1 no hydrogen 2.616 N/A THR 18.A OG1 ARG 83.A O no hydrogen 3.288 N/A GLU 19.A N ARG 12.A O no hydrogen 2.881 N/A SER 21.A N HIS 10.A O no hydrogen 2.902 N/A PHE 22.A N VAL 33.A O no hydrogen 2.832 N/A TRP 23.A N THR 8.A O no hydrogen 3.060 N/A LEU 24.A N LEU 31.A O no hydrogen 2.782 N/A ALA 25.A N PHE 5.A O no hydrogen 2.886 N/A THR 26.A N GLY 29.A O no hydrogen 2.981 N/A THR 26.A OG1 GLY 29.A O no hydrogen 2.618 N/A ASN 28.A N THR 26.A OG1 no hydrogen 2.932 N/A GLY 29.A N THR 26.A O no hydrogen 3.101 N/A LEU 31.A N LEU 24.A O no hydrogen 2.845 N/A GLN 32.A NE2 THR 133.A OG1 no hydrogen 3.204 N/A VAL 33.A N PHE 22.A O no hydrogen 2.820 N/A THR 34.A N ILE 134.A O no hydrogen 2.823 N/A LEU 35.A N VAL 20.A O no hydrogen 2.988 N/A GLN 38.A N THR 18.A O no hydrogen 3.022 N/A GLN 38.A NE2 ALA 36.A O no hydrogen 2.866 N/A SER 40.A N CYS 82.A O no hydrogen 2.870 N/A ALA 42.A N LEU 80.A O no hydrogen 2.985 N/A PHE 43.A N TYR 103.A O no hydrogen 2.974 N/A ILE 44.A N TYR 78.A O no hydrogen 2.874 N/A ALA 46.A N PRO 76.A O no hydrogen 2.832 N/A ASP 47.A N GLN 75.A OE1 no hydrogen 3.057 N/A GLN 48.A N PRO 45.A O no hydrogen 2.954 N/A VAL 49.A N ALA 46.A O no hydrogen 3.214 N/A ALA 52.A N GLN 48.A O no hydrogen 2.920 N/A GLN 53.A N VAL 49.A O no hydrogen 2.733 N/A HIS 54.A N PRO 50.A O no hydrogen 3.034 N/A ILE 55.A N ARG 51.A O no hydrogen 3.004 N/A LEU 56.A N ALA 52.A O no hydrogen 3.127 N/A GLN 57.A N HIS 54.A O no hydrogen 3.195 N/A GLU 59.A N LEU 56.A O no hydrogen 2.862 N/A ARG 63.A N TYR 81.A O no hydrogen 2.843 N/A ARG 63.A NE GLU 39.A OE2 no hydrogen 3.308 N/A ARG 63.A NH2 GLU 39.A OE1 no hydrogen 3.038 N/A THR 65.A N GLY 79.A O no hydrogen 2.924 N/A LEU 67.A N VAL 77.A O no hydrogen 3.334 N/A LYS 70.A N GLY 372.A O no hydrogen 2.990 N/A ASP 71.A N GLN 75.A O no hydrogen 2.892 N/A HIS 73.A N ASP 71.A OD1 no hydrogen 2.844 N/A ARG 74.A N ASP 71.A O no hydrogen 2.724 N/A ARG 74.A NH1 GLU 427.A OE2 no hydrogen 3.313 N/A GLN 75.A N ASP 71.A OD1 no hydrogen 2.981 N/A VAL 77.A N LEU 69.A O no hydrogen 3.068 N/A TYR 78.A N ILE 44.A O no hydrogen 2.705 N/A GLY 79.A N THR 65.A O no hydrogen 2.829 N/A LEU 80.A N ALA 42.A O no hydrogen 2.796 N/A TYR 81.A N ARG 63.A O no hydrogen 2.921 N/A CYS 82.A N SER 40.A O no hydrogen 3.005 N/A ARG 83.A N GLY 61.A O no hydrogen 3.489 N/A HIS 85.A N ASP 13.A OD1 no hydrogen 2.848 N/A ARG 86.A N ASP 13.A OD2 no hydrogen 2.887 N/A GLN 87.A NE2 ALA 84.A O no hydrogen 3.629 N/A LEU 88.A N ALA 84.A O no hydrogen 3.084 N/A MET 89.A N HIS 85.A O no hydrogen 2.913 N/A ASN 90.A N ARG 86.A O no hydrogen 2.976 N/A TYR 91.A N GLN 87.A O no hydrogen 2.784 N/A TYR 91.A OH GLU 59.A OE1 no hydrogen 3.226 N/A TYR 91.A OH GLN 60.A O no hydrogen 3.126 N/A GLU 92.A N LEU 88.A O no hydrogen 2.861 N/A LYS 93.A N MET 89.A O no hydrogen 3.244 N/A ARG 94.A N ASN 90.A O no hydrogen 3.172 N/A ARG 94.A NH1 GLU 59.A OE2 no hydrogen 3.170 N/A ARG 94.A NH2 GLU 59.A OE2 no hydrogen 3.053 N/A LEU 95.A N TYR 91.A O no hydrogen 2.866 N/A ARG 96.A N GLU 92.A O no hydrogen 2.884 N/A ARG 96.A NH1 VAL 102.A O no hydrogen 3.006 N/A GLU 97.A N LYS 93.A O no hydrogen 2.837 N/A GLY 98.A N ARG 94.A O no hydrogen 2.890 N/A GLY 99.A N ARG 96.A O no hydrogen 2.899 N/A VAL 100.A N LEU 95.A O no hydrogen 2.784 N/A THR 101.A N GLN 48.A OE1 no hydrogen 2.552 N/A TYR 103.A N PHE 43.A O no hydrogen 2.758 N/A TYR 103.A OH ASP 71.A OD2 no hydrogen 2.696 N/A VAL 107.A N GLU 104.A O no hydrogen 3.319 N/A ARG 108.A N GLU 111.A OE1 no hydrogen 2.885 N/A ARG 112.A N ARG 108.A O no hydrogen 2.828 N/A ARG 112.A NH1 VAL 41.A O no hydrogen 3.213 N/A ARG 112.A NH2 GLU 104.A OE1 no hydrogen 2.621 N/A TYR 113.A N PRO 109.A O no hydrogen 3.185 N/A LEU 114.A N PRO 110.A O no hydrogen 2.971 N/A MET 115.A N GLU 111.A O no hydrogen 2.839 N/A GLU 116.A N ARG 112.A O no hydrogen 3.308 N/A ARG 117.A N LEU 114.A O no hydrogen 2.924 N/A ARG 117.A NH1.A LEU 139.A O no hydrogen 2.828 N/A ARG 117.A NH1.B TYR 113.A O no hydrogen 3.032 N/A PHE 118.A N MET 115.A O no hydrogen 2.990 N/A ILE 119.A N LEU 114.A O no hydrogen 3.023 N/A THR 120.A OG1 THR 344.A O no hydrogen 2.601 N/A SER 121.A N THR 120.A OG1 no hydrogen 2.817 N/A VAL 123.A N GLY 4.A O no hydrogen 2.733 N/A TRP 124.A N LYS 140.A O no hydrogen 2.851 N/A VAL 125.A N GLN 2.A O no hydrogen 2.687 N/A GLU 126.A N ARG 138.A O no hydrogen 3.022 N/A ASP 128.A N VAL 135.A O no hydrogen 2.913 N/A HIS 130.A N THR 133.A O no hydrogen 2.692 N/A THR 133.A N HIS 130.A O no hydrogen 3.056 N/A ILE 134.A N GLN 32.A O no hydrogen 2.963 N/A VAL 135.A N ASP 128.A O no hydrogen 2.711 N/A ASN 136.A ND2 ASP 128.A OD2 no hydrogen 3.050 N/A ALA 137.A N THR 34.A O no hydrogen 3.085 N/A ARG 138.A N GLU 126.A O no hydrogen 2.898 N/A LEU 139.A N TYR 113.A OH no hydrogen 3.253 N/A LYS 140.A N TRP 124.A O no hydrogen 3.117 N/A HIS 142.A N PRO 122.A O no hydrogen 3.083 N/A TYR 145.A N HIS 142.A O no hydrogen 3.098 N/A TYR 145.A OH ASP 27.A OD1 no hydrogen 2.662 N/A ARG 146.A NE GLU 341.A OE1 no hydrogen 3.265 N/A ARG 146.A NE GLU 341.A OE2 no hydrogen 2.833 N/A ARG 146.A NH1 PRO 143.A O no hydrogen 2.790 N/A ARG 146.A NH1 TYR 145.A O no hydrogen 2.863 N/A ARG 146.A NH2 GLU 341.A OE1 no hydrogen 2.602 N/A ARG 146.A NH2 GLU 341.A OE2 no hydrogen 3.545 N/A LYS 150.A N ASP 217.A OD2 no hydrogen 2.785 N/A LYS 150.A NZ TYR 214.A O no hydrogen 2.948 N/A VAL 152.A N VAL 218.A O no hydrogen 2.852 N/A SER 153.A N GLU 170.A O no hydrogen 2.775 N/A SER 153.A OG CYS 323.A O no hydrogen 2.700 N/A ILE 154.A N ILE 220.A O no hydrogen 3.036 N/A ASP 155.A N GLY 168.A O no hydrogen 3.110 N/A ILE 156.A N ASP 228.A OD2 no hydrogen 2.965 N/A GLU 157.A N CYS 166.A O no hydrogen 3.152 N/A THR 158.A OG1 THR 159.A O no hydrogen 2.835 N/A THR 159.A N GLU 163.A O no hydrogen 2.735 N/A HIS 161.A N THR 159.A OG1 no hydrogen 3.235 N/A GLY 162.A N THR 159.A O no hydrogen 3.049 N/A GLU 163.A N THR 159.A OG1 no hydrogen 3.005 N/A LEU 164.A N HIS 235.A NE2 no hydrogen 3.193 N/A TYR 165.A N GLU 157.A O no hydrogen 2.663 N/A TYR 165.A OH ASP 305.A OD1 no hydrogen 2.792 N/A CYS 166.A N GLU 157.A O no hydrogen 3.441 N/A CYS 166.A SG ASN 319.A OD1 no hydrogen 3.447 N/A ILE 167.A N TYR 178.A O no hydrogen 2.895 N/A GLY 168.A N ASP 155.A O no hydrogen 2.915 N/A LEU 169.A N ILE 176.A O no hydrogen 2.864 N/A GLU 170.A N SER 153.A O no hydrogen 2.999 N/A GLY 171.A N GLN 174.A O no hydrogen 2.827 N/A CYS 172.A SG TRP 151.A O no hydrogen 3.543 N/A CYS 172.A SG TYR 214.A O no hydrogen 3.849 N/A GLN 174.A N GLY 171.A O no hydrogen 3.022 N/A ARG 175.A NH1 GLU 324.A OE2 no hydrogen 3.261 N/A ARG 175.A NH2 ASP 191.A OD2 no hydrogen 3.270 N/A ILE 176.A N LEU 169.A O no hydrogen 2.973 N/A VAL 177.A N GLU 193.A O no hydrogen 2.985 N/A TYR 178.A N ILE 167.A O no hydrogen 2.776 N/A MET 179.A N GLU 195.A O no hydrogen 2.987 N/A LEU 180.A N TYR 165.A O no hydrogen 2.823 N/A GLY 181.A N VAL 197.A O no hydrogen 2.741 N/A SER 188.A N ASP 186.A OD1 no hydrogen 3.113 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.491 N/A SER 188.A OG ASP 186.A OD2 no hydrogen 2.942 N/A SER 189.A OG SER 189.A O no hydrogen 2.477 N/A GLU 193.A N ARG 175.A O no hydrogen 3.361 N/A GLU 195.A N VAL 177.A O no hydrogen 3.052 N/A VAL 197.A N MET 179.A O no hydrogen 2.879 N/A ALA 198.A N GLN 202.A OE1 no hydrogen 2.936 N/A ARG 200.A NE LEU 164.A O no hydrogen 2.522 N/A ARG 200.A NH2 LEU 164.A O no hydrogen 2.905 N/A GLN 202.A N SER 199.A OG no hydrogen 3.305 N/A LEU 203.A N SER 199.A O no hydrogen 3.336 N/A LEU 204.A N ARG 200.A O no hydrogen 3.470 N/A GLU 205.A N PRO 201.A O no hydrogen 2.994 N/A LYS 206.A N GLN 202.A O no hydrogen 2.787 N/A LYS 206.A NZ GLU 195.A OE1 no hydrogen 3.093 N/A LEU 207.A N LEU 203.A O no hydrogen 2.786 N/A ASN 208.A N LEU 204.A O no hydrogen 2.884 N/A ASN 208.A ND2 PRO 242.A O no hydrogen 2.941 N/A ALA 209.A N GLU 205.A O no hydrogen 3.113 N/A TRP 210.A N LYS 206.A O no hydrogen 2.920 N/A PHE 211.A N LEU 207.A O no hydrogen 2.846 N/A ALA 212.A N ASN 208.A O no hydrogen 2.942 N/A ASN 213.A N ALA 209.A O no hydrogen 2.836 N/A TYR 214.A N TRP 210.A O no hydrogen 2.819 N/A ASP 215.A N PHE 211.A O no hydrogen 2.929 N/A ASP 217.A N LYS 150.A O no hydrogen 2.850 N/A VAL 218.A N LYS 150.A O no hydrogen 3.184 N/A ILE 219.A N LEU 272.A O no hydrogen 2.726 N/A ILE 220.A N VAL 152.A O no hydrogen 2.884 N/A GLY 221.A N ILE 274.A O no hydrogen 3.205 N/A ASN 223.A N ASP 275.A OD1 no hydrogen 2.639 N/A PHE 227.A N ASN 223.A O no hydrogen 3.128 N/A LEU 229.A N VAL 224.A O no hydrogen 2.979 N/A ARG 230.A N VAL 225.A O no hydrogen 3.172 N/A MET 231.A N PHE 227.A O no hydrogen 2.931 N/A LEU 232.A N ASP 228.A O no hydrogen 3.039 N/A GLN 233.A N LEU 229.A O no hydrogen 2.910 N/A GLN 233.A NE2 GLU 237.A OE2 no hydrogen 2.626 N/A LYS 234.A N ARG 230.A O no hydrogen 3.017 N/A HIS 235.A N MET 231.A O no hydrogen 3.162 N/A HIS 235.A ND1 MET 231.A O no hydrogen 2.791 N/A ALA 236.A N LEU 232.A O no hydrogen 3.069 N/A GLU 237.A N GLN 233.A O no hydrogen 3.224 N/A ARG 238.A N LYS 234.A O no hydrogen 3.072 N/A TYR 239.A N HIS 235.A O no hydrogen 2.792 N/A ARG 240.A N GLU 237.A O no hydrogen 3.246 N/A LEU 241.A N ALA 236.A O no hydrogen 2.754 N/A ARG 244.A N ASN 208.A OD1 no hydrogen 2.911 N/A GLY 246.A N SER 250.A O no hydrogen 3.254 N/A ARG 247.A N LYS 269.A O no hydrogen 2.704 N/A ARG 247.A NE ASP 215.A OD1 no hydrogen 2.746 N/A ARG 247.A NH1 ASP 217.A OD1 no hydrogen 2.968 N/A ARG 247.A NH1 GLY 270.A O no hydrogen 2.854 N/A ARG 247.A NH2 ASP 215.A O no hydrogen 3.143 N/A ARG 247.A NH2 ASP 215.A OD1 no hydrogen 3.409 N/A ARG 247.A NH2 ASP 217.A OD1 no hydrogen 2.784 N/A SER 250.A OG ARG 247.A O no hydrogen 1.978 N/A LEU 252.A N LEU 243.A O no hydrogen 2.972 N/A GLU 253.A N GLN 267.A O no hydrogen 2.960 N/A TRP 254.A NE1 GLN 233.A OE1 no hydrogen 3.125 N/A ARG 255.A N PHE 265.A O no hydrogen 3.140 N/A HIS 257.A N VAL 263.A O no hydrogen 3.479 N/A VAL 263.A N HIS 257.A O no hydrogen 3.409 N/A PHE 265.A N ARG 255.A O no hydrogen 2.809 N/A GLN 267.A N GLU 253.A O no hydrogen 2.898 N/A LYS 269.A NZ.A GLN 32.A OE1 no hydrogen 3.363 N/A GLY 270.A N THR 8.A OG1 no hydrogen 2.800 N/A ARG 271.A N ALA 268.A O no hydrogen 2.961 N/A ARG 271.A NE PRO 216.A O no hydrogen 3.037 N/A ARG 271.A NH1 LEU 245.A O no hydrogen 2.734 N/A ARG 271.A NH2 ASP 215.A OD1 no hydrogen 2.646 N/A LEU 272.A N ASP 217.A O no hydrogen 2.854 N/A ILE 273.A N ASP 351.A OD1 no hydrogen 3.124 N/A ILE 273.A N ASP 351.A OD2 no hydrogen 3.059 N/A ILE 274.A N ILE 219.A O no hydrogen 2.753 N/A GLY 276.A N GLY 221.A O no hydrogen 2.889 N/A ILE 277.A N ASP 275.A OD1 no hydrogen 3.300 N/A GLU 278.A N ASP 275.A OD2 no hydrogen 3.137 N/A ALA 279.A N ASP 275.A O no hydrogen 3.101 N/A LEU 280.A N GLY 276.A O no hydrogen 2.819 N/A LYS 281.A N ILE 277.A O no hydrogen 2.855 N/A SER 282.A N GLU 278.A O no hydrogen 2.751 N/A SER 282.A N ALA 279.A O no hydrogen 2.890 N/A SER 282.A OG ALA 279.A O no hydrogen 3.171 N/A ALA 283.A N ALA 279.A O no hydrogen 3.147 N/A SER 291.A N SER 289.A OG no hydrogen 2.817 N/A VAL 295.A N SER 291.A O no hydrogen 2.522 N/A ALA 296.A N LEU 292.A O no hydrogen 2.647 N/A GLN 297.A N GLU 293.A O no hydrogen 3.207 N/A LEU 300.A N ALA 296.A O no hydrogen 3.111 N/A ILE 304.A N MET 301.A O no hydrogen 2.722 N/A ARG 306.A N ASP 302.A O no hydrogen 3.499 N/A ARG 306.A NH1 GLU 303.A OE1 no hydrogen 2.821 N/A ARG 307.A N GLU 303.A O no hydrogen 2.983 N/A PHE 308.A N ILE 304.A O no hydrogen 2.873 N/A ALA 309.A N ASP 305.A O no hydrogen 2.835 N/A GLU 310.A N ARG 306.A O no hydrogen 2.919 N/A GLU 310.A N ARG 307.A O no hydrogen 3.322 N/A ASP 311.A N ARG 307.A O no hydrogen 2.612 N/A LYS 312.A NZ LEU 180.A O no hydrogen 2.893 N/A LYS 312.A NZ PRO 182.A O no hydrogen 2.469 N/A ALA 314.A N ASP 311.A O no hydrogen 2.859 N/A ALA 314.A N ASP 311.A OD1 no hydrogen 3.436 N/A LEU 315.A N ASP 311.A O no hydrogen 3.323 N/A ALA 316.A N LYS 312.A O no hydrogen 2.891 N/A THR 317.A N PRO 313.A O no hydrogen 2.826 N/A THR 317.A OG1 PRO 313.A O no hydrogen 2.693 N/A TYR 318.A N ALA 314.A O no hydrogen 2.922 N/A ASN 319.A N LEU 315.A O no hydrogen 2.772 N/A ASN 319.A ND2 ASP 155.A O no hydrogen 2.967 N/A LEU 320.A N ALA 316.A O no hydrogen 3.014 N/A LYS 321.A N THR 317.A O no hydrogen 3.002 N/A ASP 322.A N TYR 318.A O no hydrogen 2.997 N/A CYS 323.A N ASN 319.A O no hydrogen 3.249 N/A CYS 323.A SG SER 153.A O no hydrogen 3.411 N/A CYS 323.A SG GLY 168.A O no hydrogen 3.381 N/A CYS 323.A SG ASN 319.A O no hydrogen 3.674 N/A GLU 324.A N LEU 320.A O no hydrogen 3.041 N/A LEU 325.A N LYS 321.A O no hydrogen 3.167 N/A VAL 326.A N ASP 322.A O no hydrogen 3.339 N/A THR 327.A N CYS 323.A O no hydrogen 3.247 N/A THR 327.A OG1 GLU 170.A OE1 no hydrogen 2.359 N/A THR 327.A OG1 CYS 323.A O no hydrogen 3.390 N/A GLN 328.A N GLU 324.A O no hydrogen 2.834 N/A ILE 329.A N LEU 325.A O no hydrogen 2.927 N/A PHE 330.A N VAL 326.A O no hydrogen 3.014 N/A HIS 331.A N THR 327.A O no hydrogen 3.019 N/A LYS 332.A N GLN 328.A O no hydrogen 2.992 N/A THR 333.A N ILE 329.A O no hydrogen 2.802 N/A THR 333.A OG1 ILE 329.A O no hydrogen 2.821 N/A PHE 338.A N GLU 334.A O no hydrogen 3.378 N/A LEU 339.A N ILE 335.A O no hydrogen 2.975 N/A LEU 340.A N MET 336.A O no hydrogen 2.906 N/A GLU 341.A N PRO 337.A O no hydrogen 2.932 N/A ARG 342.A N PHE 338.A O no hydrogen 2.872 N/A ALA 343.A N LEU 339.A O no hydrogen 3.041 N/A THR 344.A N LEU 340.A O no hydrogen 3.068 N/A THR 344.A OG1 LEU 340.A O no hydrogen 3.073 N/A VAL 345.A N GLU 341.A O no hydrogen 3.011 N/A VAL 345.A N ARG 342.A O no hydrogen 2.971 N/A ASN 346.A N ARG 342.A O no hydrogen 2.744 N/A GLY 347.A N ALA 343.A O no hydrogen 3.117 N/A LEU 348.A N ASN 346.A OD1 no hydrogen 2.849 N/A ALA 359.A N GLY 355.A O no hydrogen 2.871 N/A PHE 360.A N SER 356.A O no hydrogen 2.906 N/A GLY 361.A N VAL 357.A O no hydrogen 3.196 N/A HIS 362.A N ALA 358.A O no hydrogen 2.943 N/A HIS 362.A NE2 ILE 119.A O no hydrogen 3.002 N/A LEU 363.A N ALA 359.A O no hydrogen 3.139 N/A TYR 364.A N PHE 360.A O no hydrogen 2.747 N/A TYR 364.A OH ASP 421.A OD1 no hydrogen 3.212 N/A TYR 364.A OH ASP 421.A OD2 no hydrogen 2.526 N/A PHE 365.A N GLY 361.A O no hydrogen 2.865 N/A MET 368.A N TYR 364.A O no hydrogen 2.951 N/A HIS 369.A N PHE 365.A O no hydrogen 2.919 N/A HIS 369.A ND1 GLU 116.A OE1 no hydrogen 3.224 N/A HIS 369.A ND1 GLU 116.A OE2 no hydrogen 2.674 N/A HIS 369.A NE2 GLU 104.A OE2 no hydrogen 2.538 N/A ARG 370.A N PRO 366.A O no hydrogen 3.073 N/A ALA 371.A N ARG 367.A O no hydrogen 3.017 N/A GLY 372.A N HIS 369.A O no hydrogen 2.791 N/A TYR 373.A N MET 368.A O no hydrogen 3.111 N/A TYR 373.A OH GLU 427.A OE2 no hydrogen 2.414 N/A VAL 374.A N LYS 70.A O no hydrogen 2.998 N/A ALA 375.A N GLU 104.A OE2 no hydrogen 2.906 N/A ASN 377.A ND2 VAL 102.A O no hydrogen 3.333 N/A SER 386.A OG ALA 385.A O no hydrogen 2.561 N/A MET 392.A N GLY 531.A O no hydrogen 3.180 N/A SER 394.A N ILE 593.A O no hydrogen 3.033 N/A SER 394.A OG PRO 591.A O no hydrogen 2.895 N/A ARG 395.A N ILE 529.A O no hydrogen 2.925 N/A GLY 397.A N MET 590.A O no hydrogen 2.829 N/A TYR 399.A N PHE 588.A O no hydrogen 2.703 N/A TYR 399.A OH ARG 395.A O no hydrogen 2.697 N/A SER 401.A N CYS 586.A O no hydrogen 3.078 N/A SER 401.A OG HIS 584.A NE2 no hydrogen 2.830 N/A VAL 402.A N PHE 585.A O no hydrogen 2.942 N/A LEU 403.A N VAL 538.A O no hydrogen 2.856 N/A VAL 404.A N THR 583.A O no hydrogen 3.009 N/A LEU 405.A N THR 536.A O no hydrogen 2.925 N/A ASP 406.A N GLU 580.A O no hydrogen 2.828 N/A TYR 407.A N ASP 534.A O no hydrogen 2.921 N/A TYR 407.A OH THR 517.A OG1 no hydrogen 2.449 N/A LYS 408.A N GLU 578.A O no hydrogen 2.821 N/A LYS 408.A NZ ASP 465.A OD1 no hydrogen 2.696 N/A LYS 408.A NZ ASP 465.A OD2 no hydrogen 3.029 N/A SER 413.A N SER 409.A O no hydrogen 2.882 N/A SER 413.A OG LEU 410.A O no hydrogen 2.716 N/A ILE 414.A N LEU 410.A O no hydrogen 2.877 N/A VAL 415.A N TYR 411.A O no hydrogen 2.958 N/A ARG 416.A N PRO 412.A O no hydrogen 3.006 N/A ARG 416.A NE THR 458.A OG1 no hydrogen 2.955 N/A THR 417.A N SER 413.A O no hydrogen 3.011 N/A THR 417.A OG1 SER 413.A O no hydrogen 2.758 N/A PHE 418.A N ILE 414.A O no hydrogen 2.844 N/A LEU 419.A N VAL 415.A O no hydrogen 3.070 N/A VAL 423.A N TYR 364.A OH no hydrogen 2.952 N/A GLY 424.A N ASP 421.A OD1 no hydrogen 2.737 N/A LEU 425.A N ASP 421.A O no hydrogen 2.978 N/A VAL 426.A N PRO 422.A O no hydrogen 3.445 N/A GLU 427.A N VAL 423.A O no hydrogen 3.005 N/A GLY 428.A N GLY 424.A O no hydrogen 2.724 N/A MET 429.A N LEU 425.A O no hydrogen 2.857 N/A GLN 431.A N GLY 428.A O no hydrogen 2.949 N/A ASP 433.A N GLN 431.A O no hydrogen 2.888 N/A HIS 436.A N ASP 433.A OD1 no hydrogen 3.003 N/A SER 437.A N ASP 433.A O no hydrogen 2.860 N/A SER 437.A OG GLN 431.A O no hydrogen 2.697 N/A THR 438.A N PHE 446.A O no hydrogen 2.936 N/A GLY 440.A N ALA 444.A O no hydrogen 2.841 N/A PHE 441.A N SER 505.A OG no hydrogen 2.843 N/A ALA 444.A N PHE 441.A O no hydrogen 2.911 N/A PHE 446.A N THR 438.A O no hydrogen 2.828 N/A SER 447.A N GLY 424.A O no hydrogen 2.822 N/A SER 447.A OG GLU 449.A OE2 no hydrogen 3.444 N/A ARG 448.A N HIS 436.A O no hydrogen 2.918 N/A ARG 448.A NE PRO 434.A O no hydrogen 2.968 N/A ARG 448.A NE SER 437.A O no hydrogen 2.933 N/A ARG 448.A NH1 PRO 434.A O no hydrogen 3.242 N/A ARG 448.A NH1 SER 437.A O no hydrogen 3.375 N/A ARG 448.A NH1 GLN 571.A O no hydrogen 3.006 N/A ARG 448.A NH2 GLN 571.A O no hydrogen 3.011 N/A GLU 449.A N SER 447.A OG no hydrogen 3.050 N/A LYS 450.A N SER 447.A OG no hydrogen 3.045 N/A LYS 450.A NZ ALA 371.A O no hydrogen 2.807 N/A HIS 451.A ND1 GLU 455.A OE1 no hydrogen 2.670 N/A CYS 452.A N ASP 421.A OD1 no hydrogen 2.953 N/A LEU 453.A N ASP 421.A OD2 no hydrogen 2.889 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.754 N/A ILE 456.A N CYS 452.A O no hydrogen 3.197 N/A VAL 457.A N LEU 453.A O no hydrogen 2.821 N/A THR 458.A N PRO 454.A O no hydrogen 2.916 N/A THR 458.A OG1 PRO 454.A O no hydrogen 2.869 N/A ASN 459.A N GLU 455.A O no hydrogen 2.950 N/A ILE 460.A N ILE 456.A O no hydrogen 2.952 N/A TRP 461.A N VAL 457.A O no hydrogen 2.866 N/A HIS 462.A N THR 458.A O no hydrogen 3.139 N/A GLY 463.A N ASN 459.A O no hydrogen 3.034 N/A ARG 464.A N ILE 460.A O no hydrogen 2.892 N/A ARG 464.A NE SER 476.A O no hydrogen 3.113 N/A ASP 465.A N TRP 461.A O no hydrogen 3.168 N/A GLU 466.A N HIS 462.A O no hydrogen 2.877 N/A ALA 467.A N GLY 463.A O no hydrogen 2.920 N/A LYS 468.A N ARG 464.A O no hydrogen 2.974 N/A ARG 469.A N ASP 465.A O no hydrogen 3.073 N/A ARG 469.A NE GLU 466.A OE1 no hydrogen 2.939 N/A ARG 469.A NH2 GLU 466.A OE1 no hydrogen 3.221 N/A ARG 469.A NH2 GLU 466.A OE2 no hydrogen 2.629 N/A GLN 470.A N GLU 466.A O no hydrogen 2.875 N/A GLY 471.A N LYS 468.A O no hydrogen 3.123 N/A ASN 472.A N ALA 467.A O no hydrogen 2.928 N/A LEU 475.A N ASN 472.A O no hydrogen 3.246 N/A LEU 475.A N ASN 472.A OD1 no hydrogen 3.264 N/A SER 476.A N ASN 472.A O no hydrogen 3.058 N/A GLN 477.A N LYS 473.A O no hydrogen 2.909 N/A ALA 478.A N PRO 474.A O no hydrogen 3.011 N/A LEU 479.A N LEU 475.A O no hydrogen 2.919 N/A LYS 480.A N SER 476.A O no hydrogen 2.996 N/A LYS 480.A N GLN 477.A O no hydrogen 2.968 N/A ILE 481.A N GLN 477.A O no hydrogen 3.046 N/A ILE 482.A N ALA 478.A O no hydrogen 3.058 N/A MET 483.A N LEU 479.A O no hydrogen 3.038 N/A ASN 484.A N LYS 480.A O no hydrogen 2.921 N/A ALA 485.A N ILE 482.A O no hydrogen 3.013 N/A TYR 487.A OH THR 507.A OG1 no hydrogen 2.482 N/A VAL 489.A N ALA 485.A O no hydrogen 2.934 N/A LEU 490.A N PHE 486.A O no hydrogen 3.017 N/A GLY 491.A N TYR 487.A O no hydrogen 3.006 N/A THR 492.A N VAL 489.A O no hydrogen 3.380 N/A ALA 494.A N THR 492.A OG1 no hydrogen 2.878 N/A CYS 495.A N THR 492.A O no hydrogen 3.031 N/A ARG 496.A NE PRO 376.A O no hydrogen 2.895 N/A ARG 496.A NH1 ASP 106.A OD2 no hydrogen 2.852 N/A ARG 496.A NH2 ASP 106.A OD1 no hydrogen 2.819 N/A ARG 496.A NH2 ASP 106.A OD2 no hydrogen 3.450 N/A PHE 498.A N CYS 495.A O no hydrogen 2.941 N/A ARG 501.A N ASP 499.A OD2 no hydrogen 2.677 N/A ARG 501.A NE ASP 499.A OD1 no hydrogen 3.405 N/A ARG 501.A NE ASP 499.A OD2 no hydrogen 2.811 N/A ARG 501.A NH2 ASP 499.A OD1 no hydrogen 2.778 N/A LEU 502.A N ASP 499.A O no hydrogen 3.030 N/A SER 504.A N PRO 500.A O no hydrogen 3.220 N/A SER 504.A OG PRO 500.A O no hydrogen 3.194 N/A SER 505.A N ARG 501.A O no hydrogen 3.136 N/A SER 505.A OG ARG 501.A O no hydrogen 2.699 N/A ILE 506.A N LEU 502.A O no hydrogen 3.201 N/A THR 507.A N ALA 503.A O no hydrogen 2.849 N/A THR 507.A OG1 TYR 487.A OH no hydrogen 2.482 N/A THR 507.A OG1 ALA 503.A O no hydrogen 3.073 N/A MET 508.A N SER 504.A O no hydrogen 2.940 N/A ARG 509.A NE GLN 512.A OE1 no hydrogen 3.182 N/A ARG 509.A NH1 GLU 439.A O no hydrogen 3.479 N/A ARG 509.A NH2 GLN 512.A OE1 no hydrogen 3.128 N/A GLY 510.A N ILE 506.A O no hydrogen 3.033 N/A HIS 511.A N THR 507.A O no hydrogen 3.157 N/A HIS 511.A NE2 GLY 388.A O no hydrogen 2.512 N/A GLN 512.A N MET 508.A O no hydrogen 3.194 N/A ILE 513.A N ARG 509.A O no hydrogen 2.842 N/A MET 514.A N GLY 510.A O no hydrogen 2.874 N/A ARG 515.A N HIS 511.A O no hydrogen 2.868 N/A GLN 516.A N GLN 512.A O no hydrogen 2.903 N/A THR 517.A N ILE 513.A O no hydrogen 2.893 N/A THR 517.A OG1 TYR 407.A OH no hydrogen 2.449 N/A THR 517.A OG1 ILE 513.A O no hydrogen 2.618 N/A LYS 518.A N MET 514.A O no hydrogen 3.061 N/A ALA 519.A N ARG 515.A O no hydrogen 3.184 N/A LEU 520.A N GLN 516.A O no hydrogen 2.902 N/A ILE 521.A N THR 517.A O no hydrogen 2.981 N/A GLU 522.A N LYS 518.A O no hydrogen 2.995 N/A ALA 523.A N ALA 519.A O no hydrogen 2.922 N/A GLN 524.A N LEU 520.A O no hydrogen 3.235 N/A GLN 524.A N ILE 521.A O no hydrogen 2.957 N/A GLY 525.A N GLU 522.A O no hydrogen 2.941 N/A ASP 527.A N TRP 539.A O no hydrogen 3.404 N/A ILE 529.A N PHE 537.A O no hydrogen 2.893 N/A ASP 532.A N SER 535.A O no hydrogen 2.982 N/A ASP 534.A N ASP 532.A OD1 no hydrogen 3.288 N/A SER 535.A N ASP 532.A OD1 no hydrogen 3.021 N/A SER 535.A OG ASP 534.A OD1 no hydrogen 3.168 N/A THR 536.A N LEU 405.A O no hydrogen 2.834 N/A PHE 537.A N TYR 530.A O no hydrogen 2.883 N/A VAL 538.A N LEU 403.A O no hydrogen 2.752 N/A TRP 539.A N ASP 527.A O no hydrogen 2.785 N/A LEU 540.A N SER 401.A O no hydrogen 3.089 N/A HIS 544.A N SER 401.A OG no hydrogen 2.996 N/A GLU 548.A N SER 545.A OG no hydrogen 3.070 N/A ALA 549.A N SER 545.A O no hydrogen 2.873 N/A ALA 550.A N GLU 546.A O no hydrogen 3.102 N/A LYS 551.A N GLU 547.A O no hydrogen 3.120 N/A LYS 551.A NZ GLU 547.A OE2 no hydrogen 2.974 N/A ILE 552.A N GLU 548.A O no hydrogen 2.951 N/A GLY 553.A N ALA 549.A O no hydrogen 2.867 N/A ARG 554.A N ALA 550.A O no hydrogen 2.976 N/A ALA 555.A N LYS 551.A O no hydrogen 3.047 N/A LEU 556.A N ILE 552.A O no hydrogen 2.851 N/A VAL 557.A N GLY 553.A O no hydrogen 3.090 N/A GLN 558.A N ARG 554.A O no hydrogen 3.041 N/A HIS 559.A N ALA 555.A O no hydrogen 3.075 N/A VAL 560.A N LEU 556.A O no hydrogen 3.115 N/A ASN 561.A N VAL 557.A O no hydrogen 2.913 N/A ASN 561.A ND2 LEU 579.A O no hydrogen 3.123 N/A ALA 562.A N GLN 558.A O no hydrogen 2.999 N/A TRP 563.A N HIS 559.A O no hydrogen 2.861 N/A TRP 564.A N VAL 560.A O no hydrogen 3.006 N/A TRP 564.A NE1 TYR 407.A OH no hydrogen 3.081 N/A ALA 565.A N ASN 561.A O no hydrogen 3.112 N/A GLU 566.A N ALA 562.A O no hydrogen 2.957 N/A THR 567.A N TRP 563.A O no hydrogen 2.887 N/A THR 567.A OG1 TRP 563.A O no hydrogen 2.876 N/A LEU 568.A N TRP 564.A O no hydrogen 2.934 N/A GLN 569.A N ALA 565.A O no hydrogen 3.194 N/A LYS 570.A N THR 567.A O no hydrogen 3.102 N/A GLN 571.A N LEU 568.A O no hydrogen 2.976 N/A ARG 572.A N GLN 569.A O no hydrogen 2.871 N/A LEU 573.A N LEU 568.A O no hydrogen 3.040 N/A ALA 576.A N THR 417.A OG1 no hydrogen 2.898 N/A LEU 577.A N SER 575.A OG no hydrogen 3.170 N/A LEU 579.A N ASN 561.A OD1 no hydrogen 2.837 N/A GLU 580.A N ASP 406.A O no hydrogen 2.638 N/A GLU 582.A N VAL 404.A O no hydrogen 2.921 N/A THR 583.A N VAL 404.A O no hydrogen 3.450 N/A HIS 584.A ND1 GLU 546.A OE1 no hydrogen 2.737 N/A HIS 584.A NE2 SER 401.A OG no hydrogen 2.830 N/A PHE 585.A N VAL 402.A O no hydrogen 2.867 N/A CYS 586.A N LEU 607.A O no hydrogen 2.887 N/A CYS 586.A SG LEU 607.A O no hydrogen 3.477 N/A ARG 587.A N LEU 607.A O no hydrogen 3.488 N/A ARG 587.A NE ASP 400.A OD1 no hydrogen 3.384 N/A PHE 588.A N TYR 399.A O no hydrogen 2.904 N/A LEU 589.A N ALA 605.A O no hydrogen 2.778 N/A MET 590.A N GLY 397.A O no hydrogen 2.781 N/A ILE 593.A N SER 394.A OG no hydrogen 2.726 N/A LYS 601.A NZ GLY 620.A O no hydrogen 2.922 N/A TYR 604.A N LYS 619.A O no hydrogen 3.077 N/A ALA 605.A N LEU 589.A O no hydrogen 3.232 N/A GLY 606.A N VAL 617.A O no hydrogen 3.151 N/A LEU 607.A N ARG 587.A O no hydrogen 2.796 N/A ILE 608.A N ARG 615.A O no hydrogen 2.885 N/A GLN 609.A NE2 GLY 611.A O no hydrogen 2.750 N/A GLU 610.A N LYS 613.A O no hydrogen 2.868 N/A LYS 613.A N GLU 610.A O no hydrogen 3.027 N/A GLN 614.A NE2 GLN 609.A OE1 no hydrogen 2.894 N/A ARG 615.A N ILE 608.A O no hydrogen 3.123 N/A ARG 615.A NE GLU 610.A OE2 no hydrogen 3.293 N/A ARG 615.A NH2 GLU 610.A OE2 no hydrogen 3.419 N/A VAL 617.A N GLY 606.A O no hydrogen 2.915 N/A LYS 619.A N TYR 604.A O no hydrogen 2.965 N/A THR 623.A OG1 GLU 622.A O no hydrogen 2.310 N/A TRP 626.A NE1 GLN 631.A OE1 no hydrogen 3.069 N/A THR 627.A N GLN 681.A OE1 no hydrogen 2.644 N/A THR 627.A OG1 GLN 681.A OE1 no hydrogen 2.763 N/A LEU 629.A N ARG 666.A O no hydrogen 3.134 N/A ALA 630.A N THR 627.A OG1 no hydrogen 3.367 N/A GLN 631.A N THR 627.A O no hydrogen 2.851 N/A GLN 632.A N PRO 628.A O no hydrogen 2.874 N/A PHE 633.A N LEU 629.A O no hydrogen 2.896 N/A GLN 634.A N ALA 630.A O no hydrogen 2.882 N/A GLN 635.A N GLN 631.A O no hydrogen 3.001 N/A GLU 636.A N GLN 632.A O no hydrogen 3.063 N/A LEU 637.A N PHE 633.A O no hydrogen 2.785 N/A TYR 638.A N GLN 634.A O no hydrogen 2.879 N/A TYR 638.A OH VAL 685.A O no hydrogen 3.049 N/A LEU 639.A N GLN 635.A O no hydrogen 3.071 N/A ARG 640.A N GLU 636.A O no hydrogen 3.024 N/A ARG 640.A NE GLU 636.A OE2 no hydrogen 3.532 N/A ARG 640.A NH1 PRO 646.A O no hydrogen 2.893 N/A ARG 640.A NH2 GLU 636.A OE2 no hydrogen 3.459 N/A ILE 641.A N LEU 637.A O no hydrogen 2.901 N/A PHE 642.A N TYR 638.A O no hydrogen 2.651 N/A ARG 643.A N LEU 639.A O no hydrogen 2.964 N/A ARG 643.A NE GLU 645.A OE2 no hydrogen 2.974 N/A ARG 643.A NH1 GLN 614.A OE1 no hydrogen 2.953 N/A ARG 643.A NH2 GLU 645.A OE2 no hydrogen 3.102 N/A ASN 644.A N ILE 641.A O no hydrogen 2.915 N/A GLU 645.A N ARG 640.A O no hydrogen 2.871 N/A TYR 647.A OH ASP 695.A OD2 no hydrogen 2.419 N/A GLN 648.A NE2 ASP 695.A OD1 no hydrogen 3.510 N/A GLN 648.A NE2 ASP 695.A OD2 no hydrogen 2.658 N/A TYR 650.A OH GLU 636.A OE1 no hydrogen 3.338 N/A VAL 651.A N TYR 647.A O no hydrogen 2.865 N/A ARG 652.A N GLN 648.A O no hydrogen 3.042 N/A ARG 652.A NH1 GLU 649.A OE1 no hydrogen 3.153 N/A GLU 653.A N GLU 649.A O no hydrogen 2.937 N/A THR 654.A N TYR 650.A O no hydrogen 3.097 N/A THR 654.A OG1 TYR 650.A O no hydrogen 3.076 N/A ILE 655.A N VAL 651.A O no hydrogen 2.975 N/A ASP 656.A N ARG 652.A O no hydrogen 2.765 N/A LYS 657.A N GLU 653.A O no hydrogen 2.745 N/A LEU 658.A N THR 654.A O no hydrogen 2.964 N/A MET 659.A N ILE 655.A O no hydrogen 2.984 N/A ALA 660.A N ASP 656.A O no hydrogen 3.022 N/A GLY 661.A N LEU 658.A O no hydrogen 3.144 N/A GLU 662.A N LYS 657.A O no hydrogen 3.024 N/A ARG 666.A N LEU 663.A O no hydrogen 2.920 N/A LEU 667.A N ASP 664.A O no hydrogen 3.174 N/A TYR 674.A OH ASP 664.A OD1.A no hydrogen 2.940 N/A TYR 674.A OH ASP 664.A OD1.B no hydrogen 2.968 N/A HIS 676.A N ASP 673.A OD1 no hydrogen 3.102 N/A TYR 677.A N ASP 673.A O no hydrogen 3.421 N/A TYR 677.A OH LEU 667.A O no hydrogen 2.697 N/A LEU 678.A N TYR 674.A O no hydrogen 2.758 N/A THR 679.A N GLU 675.A O no hydrogen 3.036 N/A THR 679.A OG1 GLU 675.A O no hydrogen 2.775 N/A ARG 680.A N HIS 676.A O no hydrogen 2.926 N/A GLN 681.A NE2 ASP 625.A O no hydrogen 3.461 N/A GLN 681.A NE2 ARG 680.A O no hydrogen 2.865 N/A LEU 682.A N TYR 677.A O no hydrogen 3.009 N/A GLN 683.A N LEU 678.A O no hydrogen 2.873 N/A GLN 683.A NE2 GLU 687.A OE2 no hydrogen 2.902 N/A ALA 686.A N LEU 682.A O no hydrogen 3.069 N/A GLU 687.A N GLN 683.A O no hydrogen 2.865 N/A GLY 688.A N VAL 685.A O no hydrogen 3.348 N/A ILE 689.A N ALA 686.A O no hydrogen 3.126 N/A LEU 690.A N ALA 686.A O no hydrogen 2.915 N/A PHE 692.A N ILE 689.A O no hydrogen 2.861 N/A ILE 693.A N LEU 690.A O no hydrogen 2.902 N/A GLU 694.A N PRO 691.A O no hydrogen 3.511 N/A ASP 695.A N LEU 690.A O no hydrogen 3.106 N/A ASN 696.A N ASP 695.A OD1 no hydrogen 2.796 N/A THR 699.A N ASN 696.A OD1 no hydrogen 3.056 N/A LEU 700.A N ASN 696.A O no hydrogen 3.268 N/A MET 701.A N PHE 697.A O no hydrogen 2.723 N/A THR 702.A N ALA 698.A O no hydrogen 2.878 N/A THR 702.A OG1 ALA 698.A O no hydrogen 2.797 N/A GLY 703.A N THR 699.A O no hydrogen 2.970 N/A GLN 704.A N LEU 700.A O no hydrogen 3.190 N/A GLN 704.A N MET 701.A O no hydrogen 3.084 N/A LEU 705.A N MET 701.A O no hydrogen 2.775 N/A GLY 706.A N THR 702.A O no hydrogen 2.899 N/A