Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sgl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N GLY 1.A O no hydrogen 3.266 N/A HIS 6.A N LEU 2.A O no hydrogen 3.091 N/A HIS 7.A N GLU 3.A O no hydrogen 2.930 N/A VAL 8.A N GLU 4.A O no hydrogen 2.983 N/A PHE 9.A N THR 5.A O no hydrogen 3.031 N/A LEU 10.A N HIS 6.A O no hydrogen 3.025 N/A LYS 11.A N HIS 6.A O no hydrogen 2.934 N/A ASN 13.A N LEU 10.A O no hydrogen 3.277 N/A ASN 13.A ND2 THR 170.A OG1 no hydrogen 2.634 N/A GLY 14.A N LYS 11.A O no hydrogen 3.053 N/A PHE 15.A N LEU 10.A O no hydrogen 2.827 N/A ARG 18.A N GLY 14.A O no hydrogen 2.989 N/A ARG 18.A NE ASN 13.A O no hydrogen 3.191 N/A ARG 18.A NH1 ASP 140.A O no hydrogen 3.365 N/A ARG 18.A NH2 ASN 13.A O no hydrogen 3.263 N/A ARG 18.A NH2 ASP 140.A O no hydrogen 3.244 N/A PHE 19.A N PRO 16.A O no hydrogen 3.118 N/A ALA 20.A N ALA 17.A O no hydrogen 3.226 N/A SER 21.A OG ARG 18.A O no hydrogen 3.497 N/A HIS 22.A N PHE 19.A O no hydrogen 3.237 N/A HIS 22.A NE2 SER 26.A O no hydrogen 2.957 N/A CYS 27.A N ARG 61.A O no hydrogen 3.308 N/A ILE 28.A N ASP 140.A OD2 no hydrogen 2.910 N/A PHE 29.A N HIS 63.A O no hydrogen 2.838 N/A ALA 30.A N ALA 141.A O no hydrogen 2.893 N/A GLU 31.A N ILE 65.A O no hydrogen 2.660 N/A THR 32.A N PHE 143.A O no hydrogen 3.135 N/A THR 32.A OG1 ASP 145.A O no hydrogen 2.516 N/A GLY 33.A N PHE 67.A O no hydrogen 2.750 N/A PHE 34.A N PHE 67.A O no hydrogen 3.154 N/A GLY 35.A N GLU 68.A OE1 no hydrogen 2.926 N/A GLY 37.A N PHE 34.A O no hydrogen 3.034 N/A LEU 41.A N GLY 37.A O no hydrogen 2.913 N/A THR 42.A N LEU 38.A O no hydrogen 2.860 N/A THR 42.A OG1 LEU 38.A O no hydrogen 2.844 N/A LEU 43.A N ASN 39.A O no hydrogen 2.994 N/A TRP 44.A N PHE 40.A O no hydrogen 2.785 N/A ARG 45.A N LEU 41.A O no hydrogen 2.901 N/A ASP 46.A N THR 42.A O no hydrogen 3.220 N/A PHE 47.A N LEU 43.A O no hydrogen 2.906 N/A ALA 48.A N TRP 44.A O no hydrogen 2.866 N/A ALA 48.A N ARG 45.A O no hydrogen 3.012 N/A LEU 49.A N ARG 45.A O no hydrogen 3.100 N/A PHE 50.A N ASP 46.A O no hydrogen 3.125 N/A ARG 51.A N PHE 47.A O no hydrogen 3.082 N/A ARG 51.A NE LEU 59.A O no hydrogen 3.031 N/A ARG 51.A NH2 LEU 59.A O no hydrogen 3.347 N/A GLN 52.A N ALA 48.A O no hydrogen 2.991 N/A GLN 53.A N LEU 49.A O no hydrogen 2.909 N/A SER 54.A N PHE 50.A O no hydrogen 2.817 N/A ALA 57.A N SER 54.A O no hydrogen 3.143 N/A ARG 60.A N GLN 25.A O no hydrogen 2.787 N/A ARG 60.A NH2 PRO 55.A O no hydrogen 2.625 N/A ARG 61.A N GLN 25.A O no hydrogen 3.021 N/A ARG 61.A NH1 GLN 25.A OE1 no hydrogen 2.841 N/A ARG 61.A NH2 GLN 25.A OE1 no hydrogen 3.158 N/A LEU 62.A N ALA 114.A O no hydrogen 2.805 N/A HIS 63.A N CYS 27.A O no hydrogen 2.959 N/A HIS 63.A NE2 ASP 118.A OD2 no hydrogen 2.770 N/A TYR 64.A N THR 116.A O no hydrogen 2.675 N/A TYR 64.A OH GLU 31.A OE1 no hydrogen 2.422 N/A ILE 65.A N PHE 29.A O no hydrogen 2.744 N/A SER 66.A N ASP 118.A O no hydrogen 2.836 N/A SER 66.A OG GLU 31.A O no hydrogen 3.161 N/A SER 66.A OG GLU 31.A OE1 no hydrogen 3.080 N/A PHE 67.A N GLU 31.A O no hydrogen 3.086 N/A GLU 68.A N TRP 120.A O no hydrogen 2.905 N/A LYS 69.A NZ TYR 70.A OH no hydrogen 3.079 N/A TYR 70.A N GLU 68.A OE2 no hydrogen 2.560 N/A HIS 73.A N ASP 76.A OD2 no hydrogen 3.151 N/A LEU 77.A N HIS 73.A O no hydrogen 3.199 N/A ALA 78.A N VAL 74.A O no hydrogen 2.941 N/A SER 79.A N ALA 75.A O no hydrogen 2.770 N/A ALA 80.A N ASP 76.A O no hydrogen 3.130 N/A ALA 80.A N LEU 77.A O no hydrogen 3.190 N/A HIS 81.A N LEU 77.A O no hydrogen 2.980 N/A HIS 81.A NE2 THR 36.A O no hydrogen 2.794 N/A ARG 83.A N ALA 80.A O no hydrogen 2.956 N/A TRP 84.A N HIS 81.A O no hydrogen 2.792 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.616 N/A LEU 87.A N TRP 84.A O no hydrogen 3.087 N/A ALA 88.A N PRO 85.A O no hydrogen 3.105 N/A ALA 91.A N LEU 87.A O no hydrogen 2.754 N/A GLU 92.A N ALA 88.A O no hydrogen 2.748 N/A GLN 93.A N SER 89.A O no hydrogen 3.445 N/A LEU 94.A N PHE 90.A O no hydrogen 3.042 N/A ARG 95.A N ALA 91.A O no hydrogen 2.915 N/A ARG 95.A NH1 HIS 81.A ND1 no hydrogen 3.043 N/A ALA 96.A N GLU 92.A O no hydrogen 2.849 N/A GLN 97.A N LEU 94.A O no hydrogen 3.191 N/A TRP 98.A N ARG 95.A O no hydrogen 3.420 N/A TRP 98.A NE1 LEU 72.A O no hydrogen 2.817 N/A LEU 102.A N LEU 100.A O no hydrogen 2.830 N/A GLY 104.A N PHE 121.A O no hydrogen 2.905 N/A CYS 105.A SG PRO 596.A O no hydrogen 3.210 N/A HIS 106.A N LEU 119.A O no hydrogen 2.820 N/A HIS 106.A NE2 LEU 102.A O no hydrogen 2.901 N/A ARG 107.A NE ASP 118.A OD1 no hydrogen 2.707 N/A ARG 107.A NH1 GLU 585.A OE2 no hydrogen 3.004 N/A ARG 107.A NH2 ASP 118.A OD1 no hydrogen 3.507 N/A ARG 107.A NH2 ASP 118.A OD2 no hydrogen 2.863 N/A ARG 107.A NH2 PRO 594.A O no hydrogen 3.065 N/A ILE 108.A N LEU 117.A O no hydrogen 2.649 N/A LEU 110.A N ILE 115.A O no hydrogen 2.731 N/A ALA 114.A N ALA 111.A O no hydrogen 2.985 N/A ILE 115.A N LEU 110.A O no hydrogen 3.053 N/A THR 116.A N LEU 62.A O no hydrogen 2.800 N/A LEU 117.A N ILE 108.A O no hydrogen 2.929 N/A ASP 118.A N TYR 64.A O no hydrogen 2.772 N/A LEU 119.A N HIS 106.A O no hydrogen 3.018 N/A TRP 120.A N SER 66.A O no hydrogen 2.722 N/A PHE 121.A N GLY 104.A O no hydrogen 2.837 N/A GLY 122.A N GLU 68.A O no hydrogen 3.067 N/A ASN 125.A N ASP 123.A OD1 no hydrogen 3.254 N/A ASN 125.A ND2 ASN 156.A OD1 no hydrogen 2.971 N/A ASN 125.A ND2 GLN 158.A OE1 no hydrogen 2.930 N/A THR 126.A N ASP 123.A O no hydrogen 2.925 N/A LEU 127.A N ASP 123.A O no hydrogen 3.081 N/A LEU 127.A N VAL 124.A O no hydrogen 2.890 N/A LEU 128.A N VAL 124.A O no hydrogen 3.002 N/A THR 130.A N LEU 127.A O no hydrogen 2.799 N/A THR 130.A OG1 LEU 127.A O no hydrogen 2.511 N/A LEU 131.A N LEU 128.A O no hydrogen 2.942 N/A SER 134.A N ASP 132.A OD2 no hydrogen 2.924 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.593 N/A LEU 135.A N ASP 132.A O no hydrogen 3.284 N/A ASN 136.A N ASP 133.A O no hydrogen 2.745 N/A ASN 137.A N ARG 164.A O no hydrogen 3.147 N/A GLN 138.A NE2 SER 134.A O no hydrogen 2.662 N/A GLN 138.A NE2 GLY 592.A O no hydrogen 3.371 N/A ASP 140.A N ILE 28.A O no hydrogen 2.825 N/A ALA 141.A N ILE 28.A O no hydrogen 3.286 N/A TRP 142.A N THR 170.A O no hydrogen 2.801 N/A TRP 142.A NE1 THR 165.A OG1 no hydrogen 3.004 N/A PHE 143.A N ALA 30.A O no hydrogen 2.731 N/A LEU 144.A N SER 172.A O no hydrogen 2.963 N/A ASP 145.A N PHE 143.A O no hydrogen 3.122 N/A GLY 146.A N ASP 145.A OD1 no hydrogen 2.595 N/A ASN 152.A N ALA 148.A O no hydrogen 2.824 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 2.953 N/A ASN 156.A ND2 ASN 125.A OD1 no hydrogen 3.124 N/A ASN 156.A ND2 ASP 154.A O no hydrogen 3.128 N/A GLN 158.A NE2 ASN 125.A O no hydrogen 2.840 N/A LEU 159.A N ASN 156.A OD1 no hydrogen 2.933 N/A PHE 160.A N ASN 156.A O no hydrogen 3.089 N/A ASN 161.A N GLU 157.A O no hydrogen 2.871 N/A ALA 162.A N GLN 158.A O no hydrogen 3.188 N/A ARG 164.A N ASN 161.A O no hydrogen 2.881 N/A ARG 166.A N VAL 139.A O no hydrogen 2.749 N/A ARG 166.A NE GLN 138.A O no hydrogen 3.339 N/A GLY 168.A N LEU 207.A O no hydrogen 2.725 N/A GLY 169.A N ARG 166.A O no hydrogen 2.722 N/A THR 170.A N ASP 140.A O no hydrogen 3.010 N/A THR 170.A OG1 ASP 140.A O no hydrogen 3.541 N/A PHE 171.A N GLY 205.A O no hydrogen 3.202 N/A SER 172.A OG VAL 8.A O no hydrogen 2.739 N/A SER 172.A OG ASN 13.A OD1 no hydrogen 3.085 N/A THR 173.A N LEU 203.A O no hydrogen 2.940 N/A THR 173.A OG1 LEU 144.A O no hydrogen 2.510 N/A ALA 177.A N THR 175.A OG1 no hydrogen 3.361 N/A VAL 180.A N ALA 177.A O no hydrogen 2.976 N/A ARG 181.A N ALA 177.A O no hydrogen 3.158 N/A ARG 182.A N GLY 178.A O no hydrogen 2.896 N/A GLY 183.A N PHE 179.A O no hydrogen 2.716 N/A LEU 184.A N VAL 180.A O no hydrogen 2.831 N/A GLN 185.A N ARG 181.A O no hydrogen 3.036 N/A GLN 186.A N ARG 182.A O no hydrogen 3.011 N/A GLN 186.A NE2 ASN 161.A OD1 no hydrogen 3.381 N/A GLY 188.A N LEU 184.A O no hydrogen 3.175 N/A GLY 188.A N GLN 185.A O no hydrogen 2.820 N/A PHE 189.A N LEU 184.A O no hydrogen 3.332 N/A ASN 190.A N THR 206.A O no hydrogen 3.000 N/A THR 192.A N THR 204.A O no hydrogen 2.858 N/A GLY 196.A N ARG 201.A O no hydrogen 2.909 N/A GLN 199.A N GLY 196.A O no hydrogen 3.155 N/A LYS 200.A N PHE 197.A O no hydrogen 3.275 N/A LEU 203.A N THR 173.A O no hydrogen 3.350 N/A THR 204.A N THR 192.A O no hydrogen 3.119 N/A GLY 205.A N PHE 171.A O no hydrogen 3.176 N/A THR 206.A N ASN 190.A O no hydrogen 3.220 N/A LEU 207.A N GLY 169.A O no hydrogen 2.865 N/A ALA 216.A N ASP 133.A OD2 no hydrogen 3.275 N/A TYR 219.A N ALA 216.A O no hydrogen 3.099 N/A HIS 220.A N PRO 217.A O no hydrogen 3.006 N/A ARG 221.A NH1 VAL 536.A O no hydrogen 2.877 N/A ARG 221.A NH1 GLN 590.A OE1 no hydrogen 2.748 N/A ARG 221.A NH2 VAL 536.A O no hydrogen 2.877 N/A ARG 221.A NH2 LEU 602.A O no hydrogen 3.100 N/A THR 225.A N GLU 566.A OE1 no hydrogen 2.824 N/A THR 225.A OG1 GLU 566.A OE1 no hydrogen 2.987 N/A THR 225.A OG1 GLU 566.A OE2 no hydrogen 2.818 N/A ILE 230.A N VAL 252.A O no hydrogen 3.185 N/A ALA 231.A N THR 416.A O no hydrogen 3.080 N/A ILE 232.A N THR 254.A O no hydrogen 2.777 N/A ILE 233.A N ILE 418.A O no hydrogen 2.881 N/A GLY 234.A N TYR 256.A O no hydrogen 3.361 N/A GLY 235.A N SER 239.A OG no hydrogen 2.952 N/A GLY 236.A N SER 239.A OG no hydrogen 3.191 N/A ILE 237.A N SER 267.A OG no hydrogen 2.952 N/A SER 239.A N GLY 236.A O no hydrogen 2.693 N/A SER 239.A OG GLY 236.A O no hydrogen 2.995 N/A ALA 240.A N GLY 236.A O no hydrogen 3.388 N/A LEU 241.A N ILE 237.A O no hydrogen 3.287 N/A THR 242.A N VAL 238.A O no hydrogen 2.982 N/A THR 242.A OG1 VAL 238.A O no hydrogen 2.544 N/A ALA 243.A N SER 239.A O no hydrogen 2.758 N/A LEU 244.A N ALA 240.A O no hydrogen 2.886 N/A ALA 245.A N LEU 241.A O no hydrogen 2.852 N/A LEU 246.A N THR 242.A O no hydrogen 3.226 N/A LEU 246.A N ALA 243.A O no hydrogen 3.115 N/A GLN 247.A N ALA 243.A O no hydrogen 3.005 N/A GLN 247.A NE2 ALA 381.A O no hydrogen 2.922 N/A ARG 248.A NH2 GLU 585.A OE1 no hydrogen 3.076 N/A ARG 249.A N LEU 246.A O no hydrogen 3.269 N/A ARG 249.A NE GLU 593.A OE2 no hydrogen 2.910 N/A ARG 249.A NH1 ALA 245.A O no hydrogen 2.654 N/A ARG 249.A NH1 GLU 585.A OE1 no hydrogen 3.126 N/A ARG 249.A NH2 GLU 585.A OE2 no hydrogen 3.028 N/A ARG 249.A NH2 GLU 593.A OE1 no hydrogen 3.154 N/A ALA 251.A N LEU 246.A O no hydrogen 2.943 N/A VAL 252.A N CYS 227.A O no hydrogen 3.149 N/A THR 254.A N ILE 230.A O no hydrogen 2.709 N/A THR 254.A OG1 ILE 230.A O no hydrogen 3.392 N/A LEU 255.A N THR 386.A O no hydrogen 2.889 N/A TYR 256.A N ILE 232.A O no hydrogen 2.936 N/A TYR 256.A OH HIS 414.A NE2 no hydrogen 2.905 N/A CYS 257.A N HIS 388.A O no hydrogen 2.980 N/A CYS 257.A SG GLY 234.A O no hydrogen 3.491 N/A CYS 257.A SG ASP 259.A O no hydrogen 3.717 N/A CYS 257.A SG GLN 261.A O no hydrogen 3.508 N/A ALA 263.A N GLY 235.A O no hydrogen 2.775 N/A GLN 264.A NE2 PRO 262.A O no hydrogen 2.887 N/A GLN 271.A NE2 HIS 474.A O no hydrogen 3.097 N/A GLY 272.A N LEU 370.A O no hydrogen 2.765 N/A LEU 274.A N GLY 368.A O no hydrogen 3.116 N/A ASN 279.A N GLU 286.A OE2 no hydrogen 2.796 N/A ASN 279.A ND2 ASP 283.A OD1 no hydrogen 2.610 N/A GLY 280.A N GLU 286.A OE2 no hydrogen 2.842 N/A LYS 281.A N ASN 279.A OD1 no hydrogen 2.658 N/A ASN 282.A N GLU 286.A OE1 no hydrogen 2.950 N/A GLU 286.A N ASP 283.A OD1 no hydrogen 3.425 N/A THR 287.A N ASP 283.A O no hydrogen 3.077 N/A THR 287.A OG1 ASP 283.A O no hydrogen 2.620 N/A PHE 288.A N ALA 284.A O no hydrogen 2.785 N/A PHE 289.A N LEU 285.A O no hydrogen 2.785 N/A THR 290.A N GLU 286.A O no hydrogen 2.729 N/A THR 290.A OG1 GLU 286.A O no hydrogen 2.764 N/A SER 291.A N THR 287.A O no hydrogen 3.236 N/A SER 291.A OG CYS 105.A O no hydrogen 2.822 N/A ALA 292.A N PHE 288.A O no hydrogen 2.776 N/A PHE 293.A N PHE 289.A O no hydrogen 3.014 N/A THR 294.A OG1 THR 290.A O no hydrogen 2.997 N/A THR 294.A OG1 SER 291.A O no hydrogen 3.074 N/A PHE 295.A N SER 291.A O no hydrogen 2.919 N/A ALA 296.A N ALA 292.A O no hydrogen 2.688 N/A ARG 297.A N PHE 293.A O no hydrogen 3.056 N/A ARG 297.A NH1 ALA 366.A O no hydrogen 2.739 N/A ARG 297.A NH2 ASP 301.A OD1 no hydrogen 3.166 N/A ARG 297.A NH2 ASP 301.A OD2 no hydrogen 2.753 N/A ARG 298.A N THR 294.A O no hydrogen 3.065 N/A ARG 298.A NH2 ARG 107.A O no hydrogen 3.037 N/A GLN 299.A N PHE 295.A O no hydrogen 2.911 N/A TYR 300.A N ALA 296.A O no hydrogen 2.917 N/A TYR 300.A OH LEU 577.A O no hydrogen 2.738 N/A ASP 301.A N ARG 297.A O no hydrogen 2.914 N/A ASP 301.A N ARG 298.A O no hydrogen 3.052 N/A GLN 302.A N ARG 298.A O no hydrogen 2.866 N/A GLN 302.A NE2 LEU 109.A O no hydrogen 2.668 N/A LEU 303.A N GLN 299.A O no hydrogen 2.837 N/A LEU 304.A N TYR 300.A O no hydrogen 3.122 N/A GLU 305.A N ASP 301.A O no hydrogen 2.791 N/A GLN 306.A N LEU 303.A O no hydrogen 2.813 N/A GLY 307.A N LEU 304.A O no hydrogen 3.244 N/A HIS 312.A ND1 PHE 310.A O no hydrogen 2.822 N/A GLN 313.A N TRP 369.A O no hydrogen 2.715 N/A CYS 315.A SG GLN 313.A O no hydrogen 3.598 N/A CYS 315.A SG GLY 316.A O no hydrogen 3.712 N/A GLY 316.A N GLY 367.A O no hydrogen 2.886 N/A VAL 317.A N TYR 364.A O no hydrogen 3.028 N/A SER 318.A N VAL 458.A O no hydrogen 2.972 N/A SER 318.A OG HIS 363.A ND1 no hydrogen 3.198 N/A GLN 319.A N ILE 362.A O no hydrogen 2.887 N/A LEU 320.A N CYS 460.A O no hydrogen 2.858 N/A ALA 321.A N ASP 360.A O no hydrogen 3.000 N/A PHE 322.A N SER 326.A OG no hydrogen 2.912 N/A SER 326.A OG ASP 323.A O no hydrogen 3.343 N/A ARG 327.A N ASP 323.A O no hydrogen 2.940 N/A ARG 327.A NH1 ASP 360.A OD1 no hydrogen 3.050 N/A ARG 327.A NH2 ASP 360.A OD1 no hydrogen 3.556 N/A GLY 328.A N ASP 324.A O no hydrogen 3.006 N/A LYS 329.A N LYS 325.A O no hydrogen 3.123 N/A ILE 330.A N SER 326.A O no hydrogen 2.924 N/A GLU 331.A N ARG 327.A O no hydrogen 2.893 N/A LYS 332.A N GLY 328.A O no hydrogen 3.000 N/A HIS 334.A N LYS 332.A O no hydrogen 3.102 N/A PHE 341.A N PRO 338.A O no hydrogen 2.656 N/A ALA 342.A N PRO 338.A O no hydrogen 3.161 N/A GLU 343.A N HIS 363.A O no hydrogen 3.008 N/A SER 345.A OG GLN 348.A OE1 no hydrogen 2.972 N/A ARG 346.A NE ASP 356.A OD1 no hydrogen 2.926 N/A ARG 346.A NH2 ASP 356.A OD1 no hydrogen 3.227 N/A ARG 346.A NH2 ASP 356.A OD2 no hydrogen 2.718 N/A GLU 347.A N SER 345.A OG no hydrogen 3.229 N/A GLN 348.A N SER 345.A OG no hydrogen 3.112 N/A LEU 349.A N SER 345.A O no hydrogen 3.047 N/A SER 350.A N ARG 346.A O no hydrogen 2.885 N/A SER 350.A OG ARG 346.A O no hydrogen 2.683 N/A SER 350.A OG ASP 356.A OD1 no hydrogen 3.449 N/A GLU 351.A N GLU 347.A O no hydrogen 2.888 N/A LEU 352.A N GLN 348.A O no hydrogen 2.927 N/A ALA 353.A N LEU 349.A O no hydrogen 2.939 N/A GLY 354.A N SER 350.A O no hydrogen 3.100 N/A CYS 357.A N SER 350.A OG no hydrogen 2.761 N/A CYS 357.A SG LEU 349.A O no hydrogen 3.623 N/A CYS 357.A SG LEU 355.A O no hydrogen 3.600 N/A ALA 358.A N ASP 356.A OD1 no hydrogen 2.760 N/A HIS 359.A N CYS 357.A O no hydrogen 2.729 N/A HIS 359.A NE2 CYS 505.A O no hydrogen 2.752 N/A ILE 362.A N GLN 319.A O no hydrogen 2.946 N/A HIS 363.A N GLU 343.A O no hydrogen 2.717 N/A HIS 363.A ND1 SER 318.A OG no hydrogen 3.198 N/A TYR 364.A N VAL 317.A O no hydrogen 2.748 N/A GLY 367.A N TYR 364.A O no hydrogen 3.213 N/A GLY 368.A N LEU 274.A O no hydrogen 3.144 N/A TRP 369.A N GLN 313.A O no hydrogen 2.912 N/A TRP 369.A NE1 GLN 313.A OE1 no hydrogen 2.841 N/A LEU 370.A N GLY 272.A O no hydrogen 3.121 N/A CYS 371.A N ASP 311.A O no hydrogen 2.962 N/A SER 373.A N ASN 269.A O no hydrogen 3.381 N/A LEU 375.A N CYS 371.A O no hydrogen 3.036 N/A THR 376.A N PRO 372.A O no hydrogen 2.955 N/A THR 376.A OG1 PRO 372.A O no hydrogen 2.595 N/A HIS 377.A N SER 373.A O no hydrogen 2.997 N/A HIS 377.A ND1 SER 373.A O no hydrogen 2.715 N/A ALA 378.A N ASP 374.A O no hydrogen 3.010 N/A LEU 379.A N LEU 375.A O no hydrogen 2.981 N/A ALA 381.A N LEU 379.A O no hydrogen 2.919 N/A ASN 384.A N LEU 380.A O no hydrogen 2.983 N/A GLY 385.A N GLN 382.A O no hydrogen 2.780 N/A HIS 388.A N LEU 255.A O no hydrogen 2.666 N/A GLN 390.A N ASP 259.A O no hydrogen 2.859 N/A HIS 391.A N CYS 257.A O no hydrogen 2.775 N/A HIS 391.A ND1 TYR 389.A O no hydrogen 2.860 N/A GLN 394.A N THR 406.A O no hydrogen 2.913 N/A LYS 397.A N GLN 404.A O no hydrogen 2.880 N/A ILE 399.A N GLN 402.A O no hydrogen 2.909 N/A TRP 403.A N HIS 414.A O no hydrogen 2.549 N/A TRP 403.A NE1 PRO 565.A O no hydrogen 3.040 N/A GLN 404.A N LYS 397.A O no hydrogen 2.400 N/A LEU 405.A N LYS 412.A O no hydrogen 2.685 N/A THR 406.A N ARG 395.A O no hydrogen 3.157 N/A GLN 409.A NE2 PHE 407.A O no hydrogen 3.343 N/A LYS 412.A N LEU 405.A O no hydrogen 2.963 N/A HIS 414.A N TRP 403.A O no hydrogen 2.928 N/A HIS 414.A ND1 ASP 229.A OD1 no hydrogen 3.105 N/A HIS 414.A NE2 TYR 256.A OH no hydrogen 2.905 N/A ALA 415.A N ASP 229.A OD2 no hydrogen 2.884 N/A THR 416.A N ASP 229.A O no hydrogen 3.083 N/A THR 416.A OG1 ARG 226.A O no hydrogen 2.616 N/A VAL 417.A N GLU 566.A O no hydrogen 3.174 N/A ILE 418.A N ALA 231.A O no hydrogen 2.886 N/A LEU 419.A N PHE 568.A O no hydrogen 2.747 N/A ALA 420.A N ILE 233.A O no hydrogen 2.741 N/A ARG 424.A N THR 421.A O no hydrogen 3.300 N/A ARG 424.A NE GLU 427.A OE1 no hydrogen 2.811 N/A ARG 424.A NE GLU 427.A OE2 no hydrogen 3.361 N/A ARG 424.A NH1 GLU 392.A OE2 no hydrogen 3.194 N/A ARG 424.A NH2 GLU 427.A OE1 no hydrogen 2.858 N/A LEU 425.A N GLY 422.A O no hydrogen 3.135 N/A GLN 430.A N GLN 430.A OE1 no hydrogen 2.925 N/A GLN 430.A NE2 LEU 396.A O no hydrogen 2.818 N/A THR 431.A N TRP 428.A O no hydrogen 2.838 N/A THR 431.A OG1 LEU 425.A O no hydrogen 2.476 N/A LEU 434.A N THR 431.A O no hydrogen 3.284 N/A LEU 436.A N LEU 434.A O no hydrogen 2.839 N/A SER 437.A N ALA 529.A O no hydrogen 2.921 N/A SER 437.A OG ALA 529.A O no hydrogen 3.558 N/A VAL 439.A N ARG 527.A O no hydrogen 2.992 N/A ARG 440.A N GLN 482.A O no hydrogen 3.068 N/A ARG 440.A NE GLU 494.A OE1 no hydrogen 2.867 N/A ARG 440.A NH1 ALA 487.A O no hydrogen 2.547 N/A ARG 440.A NH1 ASP 489.A O no hydrogen 3.204 N/A ARG 440.A NH2 ASP 489.A O no hydrogen 2.825 N/A ARG 440.A NH2 GLU 494.A OE1 no hydrogen 3.440 N/A GLY 441.A N GLY 525.A O no hydrogen 2.897 N/A VAL 443.A N ARG 523.A O no hydrogen 2.790 N/A SER 444.A N ILE 477.A O no hydrogen 2.907 N/A HIS 445.A N GLN 521.A O no hydrogen 2.973 N/A ILE 446.A N HIS 475.A O no hydrogen 2.911 N/A THR 448.A N GLN 473.A O no hydrogen 3.238 N/A THR 448.A OG1 THR 449.A O no hydrogen 3.492 N/A THR 448.A OG1 SER 453.A OG no hydrogen 2.948 N/A THR 448.A OG1 HIS 475.A NE2 no hydrogen 2.885 N/A LEU 452.A N THR 449.A OG1 no hydrogen 3.083 N/A SER 453.A N THR 449.A O no hydrogen 2.685 N/A SER 453.A OG THR 448.A OG1 no hydrogen 2.948 N/A SER 453.A OG THR 449.A O no hydrogen 3.368 N/A GLN 454.A N VAL 451.A O no hydrogen 2.932 N/A LEU 455.A N LEU 452.A O no hydrogen 2.921 N/A GLN 456.A N ALA 353.A O no hydrogen 2.812 N/A GLN 457.A NE2 CYS 315.A O no hydrogen 2.485 N/A VAL 458.A N GLY 316.A O no hydrogen 3.387 N/A LEU 459.A N LEU 465.A O no hydrogen 2.919 N/A CYS 460.A N SER 318.A O no hydrogen 3.044 N/A CYS 460.A SG TYR 275.A OH no hydrogen 3.705 N/A TYR 461.A N GLY 463.A O no hydrogen 2.721 N/A TYR 464.A N GLY 478.A O no hydrogen 3.040 N/A LEU 465.A N LEU 459.A O no hydrogen 2.885 N/A THR 466.A N CYS 476.A O no hydrogen 2.893 N/A THR 466.A OG1 PRO 467.A O no hydrogen 3.165 N/A THR 466.A OG1 CYS 476.A O no hydrogen 3.362 N/A ASN 469.A N HIS 474.A O no hydrogen 3.060 N/A ASN 469.A ND2 ASP 311.A OD2 no hydrogen 3.278 N/A ALA 471.A N ASN 469.A OD1 no hydrogen 2.837 N/A ASN 472.A N ASN 469.A O no hydrogen 2.858 N/A GLN 473.A N ASN 469.A O no hydrogen 2.621 N/A GLN 473.A NE2 PRO 470.A O no hydrogen 2.518 N/A HIS 474.A N ASN 472.A OD1 no hydrogen 2.630 N/A HIS 474.A ND1 ASN 472.A O no hydrogen 2.733 N/A HIS 475.A N ILE 446.A O no hydrogen 2.711 N/A HIS 475.A ND1 THR 466.A O no hydrogen 2.881 N/A HIS 475.A NE2 THR 448.A OG1 no hydrogen 2.885 N/A CYS 476.A N THR 466.A OG1 no hydrogen 3.160 N/A CYS 476.A SG GLN 271.A O no hydrogen 3.963 N/A ILE 477.A N SER 444.A O no hydrogen 3.241 N/A GLY 478.A N TYR 464.A O no hydrogen 3.193 N/A SER 480.A N GLN 442.A O no hydrogen 3.359 N/A SER 480.A OG GLU 494.A OE1 no hydrogen 2.562 N/A GLN 482.A N ARG 440.A O no hydrogen 2.967 N/A GLY 484.A N ALA 438.A O no hydrogen 2.768 N/A ASP 485.A N GLN 482.A O no hydrogen 3.200 N/A ALA 487.A N ASP 485.A OD1 no hydrogen 3.344 N/A ARG 491.A NH1 ASP 485.A OD2 no hydrogen 2.603 N/A ARG 491.A NH2 ASP 485.A OD1 no hydrogen 2.880 N/A ARG 491.A NH2 ASP 485.A OD2 no hydrogen 3.171 N/A ARG 491.A NH2 ASP 489.A OD1 no hydrogen 3.484 N/A THR 493.A OG1 GLU 497.A OE1 no hydrogen 3.263 N/A GLN 495.A N ARG 491.A O no hydrogen 3.175 N/A GLN 495.A NE2 VAL 517.A O no hydrogen 3.013 N/A GLN 495.A NE2 GLN 521.A O no hydrogen 3.073 N/A GLN 496.A N LEU 492.A O no hydrogen 2.994 N/A GLU 497.A N THR 493.A O no hydrogen 3.000 N/A ASN 498.A N GLU 494.A O no hydrogen 3.289 N/A ASN 498.A ND2 GLN 442.A O no hydrogen 3.243 N/A ASN 498.A ND2 SER 444.A OG no hydrogen 3.028 N/A ARG 499.A NE VAL 515.A O no hydrogen 2.687 N/A ARG 499.A NH2 GLN 513.A O no hydrogen 3.010 N/A GLU 500.A N GLN 496.A O no hydrogen 2.924 N/A ARG 501.A N GLU 497.A O no hydrogen 2.815 N/A ARG 501.A NH1 ASP 462.A O no hydrogen 2.799 N/A LEU 503.A N ARG 499.A O no hydrogen 3.086 N/A ARG 504.A N GLU 500.A O no hydrogen 2.716 N/A ARG 504.A NE GLU 500.A OE1 no hydrogen 3.031 N/A ARG 504.A NH2 ASP 462.A OD2 no hydrogen 2.528 N/A CYS 505.A N ARG 501.A O no hydrogen 3.049 N/A CYS 505.A SG ARG 501.A O no hydrogen 3.328 N/A LEU 506.A N LEU 502.A O no hydrogen 3.128 N/A GLN 508.A N GLN 508.A OE1 no hydrogen 2.396 N/A TRP 511.A NE1 ASP 356.A O no hydrogen 2.680 N/A GLN 513.A N SER 510.A O no hydrogen 3.104 N/A GLN 514.A N TRP 511.A O no hydrogen 2.870 N/A VAL 515.A N PRO 512.A O no hydrogen 3.048 N/A SER 518.A N ASP 516.A OD1 no hydrogen 2.906 N/A SER 518.A OG ASP 516.A OD1 no hydrogen 2.732 N/A ASN 520.A N VAL 517.A O no hydrogen 3.110 N/A GLN 521.A NE2 ASP 519.A O no hydrogen 2.646 N/A ARG 523.A N VAL 443.A O no hydrogen 2.711 N/A ARG 523.A NH2 GLN 264.A O no hydrogen 3.042 N/A ARG 523.A NH2 GLY 265.A O no hydrogen 2.878 N/A CYS 524.A SG ASP 489.A O no hydrogen 3.822 N/A GLY 525.A N GLY 441.A O no hydrogen 3.011 N/A ARG 527.A N VAL 439.A O no hydrogen 2.765 N/A ARG 527.A NE SER 574.A OG no hydrogen 2.797 N/A ARG 527.A NH1 VAL 439.A O no hydrogen 3.006 N/A ARG 527.A NH1 ARG 440.A O no hydrogen 2.849 N/A ARG 527.A NH1 SER 480.A O no hydrogen 3.549 N/A ARG 527.A NH2 SER 480.A O no hydrogen 2.750 N/A CYS 528.A SG GLY 422.A O no hydrogen 3.630 N/A ALA 529.A N SER 437.A O no hydrogen 2.756 N/A HIS 533.A N ILE 530.A O no hydrogen 2.816 N/A LEU 534.A N ASP 532.A OD1 no hydrogen 3.167 N/A VAL 539.A N LEU 567.A O no hydrogen 2.738 N/A ASP 541.A N PRO 562.A O no hydrogen 2.918 N/A THR 545.A N ASP 541.A O no hydrogen 2.935 N/A THR 545.A N TYR 542.A O no hydrogen 3.302 N/A THR 545.A OG1 ASP 541.A O no hydrogen 2.434 N/A LEU 546.A N TYR 542.A O no hydrogen 3.286 N/A ALA 547.A N ALA 543.A O no hydrogen 3.333 N/A GLN 548.A N ALA 544.A O no hydrogen 3.018 N/A TYR 549.A N THR 545.A O no hydrogen 2.896 N/A TYR 549.A OH ALA 559.A O no hydrogen 2.654 N/A LEU 552.A N TYR 549.A O no hydrogen 3.452 N/A SER 553.A OG LYS 617.A O no hydrogen 3.187 N/A ARG 554.A N ASP 551.A O no hydrogen 3.101 N/A ARG 554.A NE ASP 551.A OD2 no hydrogen 3.290 N/A ARG 555.A N LEU 552.A O no hydrogen 3.224 N/A ALA 561.A N PRO 217.A O no hydrogen 3.232 N/A TRP 564.A N VAL 539.A O no hydrogen 2.974 N/A LEU 567.A N TRP 564.A O no hydrogen 3.139 N/A PHE 568.A N VAL 417.A O no hydrogen 3.045 N/A VAL 569.A N LEU 419.A O no hydrogen 3.059 N/A GLY 573.A N CYS 528.A O no hydrogen 2.944 N/A ARG 575.A N LEU 572.A O no hydrogen 2.897 N/A ARG 575.A NH2 TYR 275.A OH no hydrogen 3.021 N/A CYS 578.A N ARG 575.A O no hydrogen 2.946 N/A CYS 578.A SG TYR 275.A O no hydrogen 3.609 N/A SER 579.A N ARG 575.A O no hydrogen 2.926 N/A SER 579.A OG ARG 575.A O no hydrogen 2.912 N/A ALA 580.A N GLY 576.A O no hydrogen 2.833 N/A VAL 583.A N SER 579.A O no hydrogen 3.054 N/A ALA 584.A N ALA 580.A O no hydrogen 2.856 N/A GLU 585.A N PRO 581.A O no hydrogen 2.985 N/A ILE 586.A N LEU 582.A O no hydrogen 2.902 N/A LEU 587.A N VAL 583.A O no hydrogen 2.887 N/A ALA 588.A N ALA 584.A O no hydrogen 3.068 N/A ALA 589.A N GLU 585.A O no hydrogen 2.786 N/A GLN 590.A N ILE 586.A O no hydrogen 2.792 N/A GLN 590.A NE2 PRO 222.A O no hydrogen 3.091 N/A GLY 592.A N GLN 590.A O no hydrogen 2.947 N/A GLU 593.A N ALA 589.A O no hydrogen 2.956 N/A LEU 595.A N SER 134.A OG no hydrogen 3.201 N/A ALA 599.A N THR 130.A O no hydrogen 2.974 N/A LYS 600.A NZ THR 287.A OG1 no hydrogen 3.237 N/A THR 601.A N ASP 598.A OD1 no hydrogen 3.021 N/A THR 601.A OG1 ASP 598.A OD1 no hydrogen 2.378 N/A LEU 602.A N ASP 598.A O no hydrogen 3.047 N/A ALA 603.A N ALA 599.A O no hydrogen 2.871 N/A ALA 604.A N LYS 600.A O no hydrogen 2.808 N/A LEU 605.A N LEU 602.A O no hydrogen 2.998 N/A ASN 606.A N ALA 603.A O no hydrogen 3.143 N/A ASN 608.A ND2 ASN 606.A OD1 no hydrogen 2.453 N/A ARG 609.A N ASN 606.A O no hydrogen 3.315 N/A ARG 609.A NE ASP 532.A OD2 no hydrogen 2.874 N/A ARG 609.A NH1 PRO 535.A O no hydrogen 2.915 N/A ARG 609.A NH1 ASN 606.A O no hydrogen 3.211 N/A ARG 609.A NH2 ASP 532.A OD1 no hydrogen 2.642 N/A ARG 609.A NH2 ASP 532.A OD2 no hydrogen 2.898 N/A ARG 609.A NH2 LEU 534.A O no hydrogen 3.063 N/A TRP 611.A NE1 HIS 433.A O no hydrogen 3.084 N/A ILE 612.A N ASN 608.A O no hydrogen 3.099 N/A ARG 613.A N ARG 609.A O no hydrogen 3.106 N/A LYS 614.A N TRP 611.A O no hydrogen 3.169 N/A LEU 615.A N TRP 611.A O no hydrogen 3.446 N/A LEU 616.A N ARG 613.A O no hydrogen 3.401 N/A LYS 617.A N LYS 614.A O no hydrogen 3.060 N/A GLY 618.A N LYS 614.A O no hydrogen 3.142 N/A