Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ASP 528.A OD1 no hydrogen 2.929 N/A SER 5.A N SER 10.A OG no hydrogen 3.140 N/A PHE 8.A N SER 5.A O no hydrogen 3.244 N/A LEU 9.A N LEU 6.A O no hydrogen 2.913 N/A SER 10.A N SER 5.A O no hydrogen 3.173 N/A SER 10.A OG SER 5.A O no hydrogen 3.243 N/A SER 10.A OG ASP 120.A OD2 no hydrogen 2.815 N/A ARG 12.A N GLY 527.A O no hydrogen 3.214 N/A ARG 12.A NE ASP 528.A O no hydrogen 2.891 N/A ARG 12.A NH2 ASP 528.A OD2 no hydrogen 3.128 N/A SER 14.A N ASN 532.A O no hydrogen 2.844 N/A SER 14.A OG ALA 15.A O no hydrogen 3.248 N/A SER 14.A OG THR 530.A O no hydrogen 3.219 N/A SER 14.A OG HIS 533.A NE2 no hydrogen 3.403 N/A SER 19.A N GLN 159.A O no hydrogen 3.158 N/A ILE 21.A N VAL 157.A O no hydrogen 2.857 N/A SER 22.A OG ASN 24.A OD1 no hydrogen 2.626 N/A ARG 23.A NH1 GLU 154.A OE1 no hydrogen 2.884 N/A ARG 23.A NH1 ILE 155.A O no hydrogen 2.940 N/A ARG 23.A NH2 GLU 154.A OE1 no hydrogen 2.927 N/A TRP 26.A N ARG 23.A O no hydrogen 3.107 N/A ALA 27.A N ASP 70.A O no hydrogen 3.084 N/A THR 29.A N THR 68.A O no hydrogen 2.988 N/A CYS 30.A SG SER 32.A O no hydrogen 3.160 N/A ASP 31.A N THR 66.A O no hydrogen 3.360 N/A GLN 34.A N HIS 52.A O no hydrogen 2.890 N/A GLN 34.A NE2 TYR 55.A O no hydrogen 2.814 N/A GLY 36.A N GLU 38.A OE2 no hydrogen 2.707 N/A ASN 37.A N GLN 34.A O no hydrogen 2.900 N/A ASN 37.A ND2 PHE 50.A O no hydrogen 3.115 N/A LYS 41.A N GLU 38.A O no hydrogen 3.107 N/A ALA 42.A N CYS 39.A O no hydrogen 3.391 N/A ILE 43.A N ASN 40.A O no hydrogen 3.065 N/A GLY 45.A N GLU 154.A OE1 no hydrogen 3.163 N/A ASN 46.A N ASP 44.A OD1 no hydrogen 2.921 N/A ASP 48.A N ASN 46.A OD1 no hydrogen 2.778 N/A THR 49.A N ASN 46.A O no hydrogen 3.242 N/A THR 49.A OG1 LYS 41.A O no hydrogen 3.410 N/A THR 49.A OG1 ASP 44.A OD2 no hydrogen 2.561 N/A THR 49.A OG1 ASN 46.A O no hydrogen 3.049 N/A TRP 51.A N ILE 152.A O no hydrogen 2.850 N/A TRP 51.A NE1 SER 32.A O no hydrogen 2.915 N/A HIS 52.A N ASN 37.A O no hydrogen 3.223 N/A HIS 52.A ND1 THR 53.A O no hydrogen 2.757 N/A THR 53.A N THR 150.A O no hydrogen 3.059 N/A THR 53.A OG1 THR 150.A O no hydrogen 3.531 N/A PHE 54.A N SER 32.A OG no hydrogen 3.005 N/A TYR 55.A N GLN 34.A OE1 no hydrogen 3.018 N/A GLY 56.A N ASP 60.A OD1 no hydrogen 3.301 N/A ASN 58.A N TYR 55.A O no hydrogen 3.302 N/A ASN 58.A ND2 GLN 34.A OE1 no hydrogen 2.765 N/A GLY 59.A N GLY 56.A O no hydrogen 2.918 N/A HIS 65.A N ALA 140.A O no hydrogen 3.089 N/A HIS 65.A ND1 ASP 31.A OD2 no hydrogen 2.709 N/A HIS 65.A NE2 PRO 148.A O no hydrogen 2.724 N/A THR 66.A N ASP 31.A OD1 no hydrogen 3.008 N/A TYR 67.A N LEU 138.A O no hydrogen 2.945 N/A TYR 67.A OH CYS 39.A O no hydrogen 2.614 N/A THR 68.A N THR 29.A O no hydrogen 2.830 N/A ILE 69.A N VAL 136.A O no hydrogen 2.746 N/A ASP 70.A N ALA 27.A O no hydrogen 2.892 N/A MET 71.A N ARG 134.A O no hydrogen 2.861 N/A LYS 72.A N ASP 70.A OD1 no hydrogen 2.843 N/A LYS 72.A NZ ASP 70.A OD2 no hydrogen 3.294 N/A GLN 75.A N ALA 133.A O no hydrogen 2.882 N/A VAL 77.A N ARG 131.A O no hydrogen 3.220 N/A ASN 78.A N PHE 158.A O no hydrogen 2.994 N/A ASN 78.A ND2 ILE 17.A O no hydrogen 2.976 N/A LEU 80.A N SER 126.A O no hydrogen 2.946 N/A SER 81.A N ASN 156.A O no hydrogen 2.903 N/A MET 82.A N LYS 124.A O no hydrogen 2.812 N/A LEU 83.A N GLU 154.A O no hydrogen 2.836 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.986 N/A ARG 85.A NH1 ASN 91.A O no hydrogen 3.054 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.773 N/A GLN 86.A NE2 PRO 84.A O no hydrogen 2.812 N/A GLN 86.A NE2 SER 121.A O no hydrogen 2.944 N/A ASN 89.A N ASP 87.A OD1 no hydrogen 3.064 N/A ASN 91.A N ASN 89.A OD1 no hydrogen 2.804 N/A GLY 92.A N GLU 143.A OE2 no hydrogen 2.944 N/A TRP 93.A N GLN 90.A O no hydrogen 3.091 N/A GLY 95.A N THR 142.A O no hydrogen 2.930 N/A ARG 96.A N THR 142.A OG1 no hydrogen 2.985 N/A HIS 97.A N GLY 115.A O no hydrogen 2.918 N/A HIS 97.A ND1 GLY 95.A O no hydrogen 2.983 N/A HIS 97.A NE2 ASP 178.A OD2 no hydrogen 2.606 N/A GLU 98.A N VAL 139.A O no hydrogen 2.946 N/A VAL 99.A N ALA 113.A O no hydrogen 2.885 N/A TYR 100.A N ARG 137.A O no hydrogen 2.909 N/A TYR 100.A OH GLU 98.A OE1 no hydrogen 2.748 N/A SER 102.A N TYR 135.A O no hydrogen 3.006 N/A SER 102.A OG ASN 107.A O no hydrogen 2.766 N/A ASP 104.A N SER 102.A OG no hydrogen 3.209 N/A GLY 105.A N SER 102.A OG no hydrogen 2.814 N/A THR 106.A N ASP 104.A OD1 no hydrogen 2.967 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 3.181 N/A ASN 107.A N ASP 104.A OD1 no hydrogen 2.880 N/A GLY 109.A N ASN 107.A OD1 no hydrogen 3.172 N/A VAL 112.A N VAL 99.A O no hydrogen 2.838 N/A SER 114.A N THR 176.A O no hydrogen 3.042 N/A GLY 115.A N HIS 97.A O no hydrogen 3.148 N/A SER 116.A N ASP 178.A O no hydrogen 2.986 N/A SER 116.A OG VAL 226.A O no hydrogen 3.150 N/A TRP 117.A N GLY 95.A O no hydrogen 3.001 N/A TRP 117.A NE1 TYR 125.A O no hydrogen 3.057 N/A ASP 120.A N PHE 118.A O no hydrogen 3.168 N/A THR 122.A N ASP 120.A OD1 no hydrogen 3.072 N/A THR 122.A OG1 ASP 120.A OD1 no hydrogen 2.690 N/A THR 123.A N GLU 3.A OE2 no hydrogen 2.952 N/A THR 123.A OG1 GLU 3.A OE2 no hydrogen 3.464 N/A LYS 124.A N MET 82.A O no hydrogen 2.883 N/A LYS 124.A NZ ASP 120.A O no hydrogen 2.969 N/A LYS 124.A NZ ASP 120.A OD1 no hydrogen 2.844 N/A LYS 124.A NZ THR 122.A O no hydrogen 2.770 N/A LYS 124.A NZ THR 122.A OG1 no hydrogen 3.188 N/A SER 126.A N LEU 80.A O no hydrogen 2.944 N/A SER 126.A OG ASP 178.A OD2 no hydrogen 3.010 N/A ASN 127.A ND2 SER 14.A O no hydrogen 3.097 N/A PHE 128.A N ASN 78.A O no hydrogen 3.087 N/A ARG 131.A N VAL 77.A O no hydrogen 3.022 N/A ARG 131.A NH2 LEU 101.A O no hydrogen 3.153 N/A ALA 133.A N GLN 75.A O no hydrogen 2.877 N/A ARG 134.A N SER 102.A O no hydrogen 3.030 N/A ARG 134.A NE ASP 70.A OD1 no hydrogen 2.842 N/A ARG 134.A NH2 ASP 70.A OD1 no hydrogen 3.469 N/A ARG 134.A NH2 ASP 70.A OD2 no hydrogen 3.129 N/A TYR 135.A N SER 102.A O no hydrogen 2.975 N/A VAL 136.A N ILE 69.A O no hydrogen 2.994 N/A ARG 137.A N TYR 100.A O no hydrogen 2.944 N/A ARG 137.A NE THR 68.A OG1 no hydrogen 2.959 N/A ARG 137.A NH2 THR 68.A OG1 no hydrogen 3.418 N/A LEU 138.A N TYR 67.A O no hydrogen 2.908 N/A VAL 139.A N GLU 98.A O no hydrogen 2.843 N/A ALA 140.A N HIS 65.A O no hydrogen 2.806 N/A ILE 141.A N ARG 96.A O no hydrogen 2.828 N/A THR 142.A N ARG 96.A O no hydrogen 3.277 N/A ALA 144.A N TRP 93.A O no hydrogen 2.740 N/A ASN 145.A N GLU 143.A OE1 no hydrogen 2.665 N/A GLY 146.A N GLU 143.A O no hydrogen 2.894 N/A GLN 147.A N GLU 143.A OE1 no hydrogen 2.935 N/A TRP 149.A NE1 ASP 60.A OD1 no hydrogen 2.800 N/A THR 150.A N THR 53.A OG1 no hydrogen 3.142 N/A SER 151.A N GLY 92.A O no hydrogen 3.029 N/A SER 151.A OG ASN 91.A O no hydrogen 2.929 N/A ILE 152.A N TRP 51.A O no hydrogen 3.045 N/A ALA 153.A N LEU 83.A O no hydrogen 2.812 N/A GLU 154.A N LEU 83.A O no hydrogen 3.223 N/A ILE 155.A N ALA 42.A O no hydrogen 2.831 N/A ASN 156.A N SER 81.A O no hydrogen 3.104 N/A PHE 158.A N GLY 79.A O no hydrogen 2.850 N/A GLN 159.A N SER 19.A O no hydrogen 2.989 N/A ALA 160.A N ASN 76.A O no hydrogen 2.804 N/A GLN 167.A N ASN 498.A OD1 no hydrogen 2.816 N/A LEU 170.A N GLN 167.A O no hydrogen 3.452 N/A ARG 172.A N THR 540.A O no hydrogen 3.033 N/A ARG 172.A NH1 GLY 171.A O no hydrogen 2.779 N/A TRP 173.A NE1 ASN 498.A O no hydrogen 2.970 N/A GLY 174.A N ILE 538.A O no hydrogen 2.812 N/A THR 176.A N VAL 112.A O no hydrogen 3.080 N/A THR 176.A OG1 ASN 127.A O no hydrogen 2.655 N/A ILE 177.A N ALA 536.A O no hydrogen 2.770 N/A ASP 178.A N SER 114.A O no hydrogen 2.864 N/A LEU 179.A N PHE 534.A O no hydrogen 2.927 N/A ALA 184.A N VAL 182.A O no hydrogen 2.851 N/A ALA 185.A N TRP 198.A O no hydrogen 3.143 N/A ALA 186.A N ALA 590.A O no hydrogen 2.983 N/A ALA 187.A N LEU 196.A O no hydrogen 2.920 N/A ILE 188.A N GLY 588.A O no hydrogen 3.194 N/A GLU 189.A N ARG 194.A O no hydrogen 2.998 N/A THR 191.A N GLU 189.A OE2 no hydrogen 3.059 N/A THR 191.A OG1 GLU 189.A OE1 no hydrogen 2.739 N/A THR 191.A OG1 GLU 189.A OE2 no hydrogen 2.740 N/A SER 192.A N GLU 189.A OE1 no hydrogen 2.896 N/A SER 192.A OG GLU 189.A O no hydrogen 3.488 N/A SER 192.A OG GLU 189.A OE1 no hydrogen 2.812 N/A GLY 193.A N GLU 189.A O no hydrogen 2.763 N/A ARG 194.A N SER 192.A OG no hydrogen 3.204 N/A ARG 194.A NE ASP 220.A OD2 no hydrogen 2.958 N/A VAL 195.A N TRP 219.A O no hydrogen 2.919 N/A LEU 196.A N ALA 187.A O no hydrogen 2.776 N/A MET 197.A N SER 217.A O no hydrogen 2.967 N/A TRP 198.A N ALA 185.A O no hydrogen 2.994 N/A SER 199.A N LEU 215.A O no hydrogen 2.948 N/A SER 199.A OG SER 200.A O no hydrogen 3.234 N/A TYR 201.A OH SER 10.A O no hydrogen 2.813 N/A ASN 203.A ND2 SER 10.A O no hydrogen 3.039 N/A ALA 205.A N ASN 203.A OD1 no hydrogen 3.003 N/A PHE 206.A N ASN 203.A O no hydrogen 3.146 N/A GLY 207.A N ASN 203.A O no hydrogen 3.295 N/A GLY 212.A N ASP 237.A OD2 no hydrogen 2.823 N/A THR 214.A N THR 232.A O no hydrogen 2.969 N/A THR 214.A OG1 THR 234.A OG1 no hydrogen 2.862 N/A LEU 215.A N SER 199.A O no hydrogen 2.864 N/A THR 216.A N THR 230.A O no hydrogen 3.055 N/A SER 217.A N MET 197.A O no hydrogen 2.914 N/A SER 217.A OG SER 227.A O no hydrogen 2.873 N/A SER 218.A OG SER 227.A OG no hydrogen 2.744 N/A TRP 219.A N VAL 195.A O no hydrogen 3.016 N/A ASP 220.A N ILE 225.A O no hydrogen 3.027 N/A SER 222.A N ASP 220.A OD1 no hydrogen 2.943 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.607 N/A THR 223.A N ASP 220.A O no hydrogen 3.223 N/A GLY 224.A N ASP 220.A O no hydrogen 2.605 N/A ILE 225.A N THR 223.A OG1 no hydrogen 3.264 N/A SER 227.A N SER 218.A O no hydrogen 2.974 N/A SER 227.A OG SER 218.A OG no hydrogen 2.744 N/A ARG 229.A NH1 LEU 9.A O no hydrogen 3.103 N/A ARG 229.A NH2 PHE 8.A O no hydrogen 2.975 N/A THR 230.A N THR 216.A O no hydrogen 2.932 N/A THR 230.A OG1 THR 216.A O no hydrogen 3.514 N/A THR 232.A N THR 214.A O no hydrogen 2.985 N/A THR 234.A N THR 232.A O no hydrogen 2.999 N/A THR 234.A OG1 GLY 212.A O no hydrogen 3.528 N/A THR 234.A OG1 THR 214.A OG1 no hydrogen 2.862 N/A THR 234.A OG1 HIS 236.A O no hydrogen 3.350 N/A LYS 235.A N GLY 212.A O no hydrogen 2.906 N/A HIS 236.A N THR 234.A OG1 no hydrogen 3.190 N/A HIS 236.A ND1 SER 262.A OG no hydrogen 2.729 N/A HIS 236.A NE2 GLY 254.A O no hydrogen 2.696 N/A ASP 237.A N ASP 257.A OD2 no hydrogen 2.665 N/A GLY 241.A N THR 253.A O no hydrogen 2.891 N/A SER 243.A N VAL 251.A O no hydrogen 3.055 N/A SER 243.A OG SER 286.A OG no hydrogen 2.693 N/A MET 244.A N ASP 597.A OD1 no hydrogen 2.955 N/A ASP 245.A N GLN 249.A O no hydrogen 2.881 N/A GLY 246.A N GLY 292.A O no hydrogen 3.448 N/A ASN 247.A N ASP 245.A OD1 no hydrogen 2.783 N/A GLY 248.A N ASP 245.A O no hydrogen 2.776 N/A GLN 249.A N ASP 245.A OD1 no hydrogen 2.919 N/A GLN 249.A NE2 TYR 264.A O no hydrogen 3.168 N/A VAL 251.A N SER 243.A O no hydrogen 2.736 N/A VAL 252.A N SER 262.A O no hydrogen 2.901 N/A THR 253.A N GLY 241.A O no hydrogen 2.949 N/A THR 253.A OG1 GLY 241.A O no hydrogen 3.506 N/A GLY 254.A N LYS 260.A O no hydrogen 2.893 N/A GLY 255.A N ARG 281.A O no hydrogen 2.917 N/A ASN 256.A N MET 238.A O no hydrogen 3.080 N/A ASP 257.A N ASP 237.A O no hydrogen 3.078 N/A LYS 260.A N ASP 257.A O no hydrogen 3.150 N/A LYS 260.A NZ ASP 276.A OD1 no hydrogen 3.443 N/A THR 261.A OG1 PRO 275.A O no hydrogen 2.803 N/A SER 262.A N VAL 252.A O no hydrogen 2.913 N/A SER 262.A OG HIS 236.A ND1 no hydrogen 2.729 N/A LEU 263.A N ILE 272.A O no hydrogen 2.862 N/A TYR 264.A N ILE 250.A O no hydrogen 3.104 N/A ASP 265.A N SER 270.A O no hydrogen 2.754 N/A SER 267.A OG ASP 265.A OD1 no hydrogen 2.939 N/A SER 268.A N ASP 265.A OD1 no hydrogen 3.052 N/A SER 268.A OG ASP 265.A OD1 no hydrogen 2.698 N/A SER 268.A OG SER 270.A OG no hydrogen 2.864 N/A ASP 269.A N SER 266.A O no hydrogen 3.435 N/A SER 270.A N ASP 265.A O no hydrogen 3.229 N/A SER 270.A OG SER 268.A OG no hydrogen 2.864 N/A TRP 271.A NE1 THR 216.A OG1 no hydrogen 2.902 N/A ILE 272.A N LEU 263.A O no hydrogen 2.793 N/A GLY 274.A N THR 261.A O no hydrogen 2.826 N/A MET 277.A N LYS 259.A O no hydrogen 2.768 N/A GLN 278.A N GLU 311.A OE1 no hydrogen 2.812 N/A VAL 279.A N GLU 311.A OE2 no hydrogen 3.102 N/A ARG 281.A N ALA 258.A O no hydrogen 2.837 N/A ARG 281.A NE GLU 311.A OE2 no hydrogen 2.965 N/A ARG 281.A NH1 GLY 298.A O no hydrogen 2.847 N/A ARG 281.A NH1 LYS 308.A O no hydrogen 3.486 N/A ARG 281.A NH1 ASN 309.A O no hydrogen 2.999 N/A ARG 281.A NH2 ASN 309.A O no hydrogen 2.733 N/A ARG 281.A NH2 GLU 311.A OE2 no hydrogen 2.816 N/A GLY 282.A N GLY 299.A O no hydrogen 3.170 N/A GLN 284.A N GLN 284.A OE1 no hydrogen 2.691 N/A GLN 284.A NE2 THR 253.A O no hydrogen 3.092 N/A SER 285.A OG ALA 346.A O no hydrogen 2.845 N/A SER 286.A OG SER 243.A OG no hydrogen 2.693 N/A ALA 287.A N PHE 295.A O no hydrogen 2.733 N/A THR 288.A OG1 MET 244.A O no hydrogen 2.727 N/A MET 289.A N ARG 293.A O no hydrogen 2.761 N/A GLY 292.A N MET 289.A O no hydrogen 3.000 N/A ARG 293.A N ASP 291.A OD1 no hydrogen 3.008 N/A ARG 293.A NE ASP 291.A OD2 no hydrogen 2.946 N/A ARG 293.A NH2 ASP 291.A OD2 no hydrogen 3.377 N/A VAL 294.A N TYR 313.A O no hydrogen 3.048 N/A PHE 295.A N ALA 287.A O no hydrogen 2.892 N/A THR 296.A N GLU 311.A O no hydrogen 3.061 N/A THR 296.A OG1 SER 285.A O no hydrogen 2.838 N/A GLY 298.A N LYS 308.A O no hydrogen 2.959 N/A GLY 299.A N ASP 343.A OD2 no hydrogen 2.891 N/A SER 300.A N ASP 343.A OD1 no hydrogen 2.992 N/A SER 300.A OG TYR 340.A O no hydrogen 2.804 N/A LYS 308.A NZ ALA 280.A O no hydrogen 2.783 N/A LYS 308.A NZ SER 302.A OG no hydrogen 2.998 N/A GLY 310.A N ALA 326.A O no hydrogen 3.002 N/A GLU 311.A N THR 296.A O no hydrogen 3.029 N/A VAL 312.A N THR 321.A O no hydrogen 2.899 N/A TYR 313.A N VAL 294.A O no hydrogen 2.782 N/A SER 314.A N THR 319.A O no hydrogen 2.965 N/A SER 314.A OG SER 317.A OG no hydrogen 3.042 N/A SER 316.A OG SER 314.A OG no hydrogen 2.871 N/A SER 317.A N SER 314.A OG no hydrogen 3.175 N/A SER 317.A OG SER 314.A OG no hydrogen 3.042 N/A SER 317.A OG THR 319.A OG1 no hydrogen 2.861 N/A THR 319.A OG1 SER 317.A OG no hydrogen 2.861 N/A TRP 320.A NE1 THR 261.A OG1 no hydrogen 3.073 N/A THR 321.A N VAL 312.A O no hydrogen 2.884 N/A LEU 323.A N GLY 310.A O no hydrogen 2.825 N/A ASN 325.A N SER 373.A O no hydrogen 2.945 N/A ALA 326.A N LEU 323.A O no hydrogen 2.965 N/A LYS 327.A NZ PRO 324.A O no hydrogen 2.884 N/A MET 331.A N VAL 328.A O no hydrogen 2.988 N/A LEU 332.A N ASN 329.A O no hydrogen 3.183 N/A THR 333.A N SER 342.A O no hydrogen 3.024 N/A ALA 334.A N ASP 391.A OD2 no hydrogen 2.958 N/A ASP 335.A N THR 333.A OG1 no hydrogen 3.231 N/A LYS 336.A N ASP 415.A OD1 no hydrogen 2.941 N/A GLN 337.A N ASP 335.A OD1 no hydrogen 2.863 N/A GLY 338.A N ASP 335.A O no hydrogen 3.008 N/A ARG 341.A N GLY 338.A O no hydrogen 3.045 N/A SER 342.A N GLY 338.A O no hydrogen 2.906 N/A SER 342.A OG GLY 338.A O no hydrogen 3.240 N/A ASN 344.A N ARG 341.A O no hydrogen 3.080 N/A ASN 344.A ND2 TYR 340.A O no hydrogen 3.697 N/A HIS 345.A N TYR 283.A O no hydrogen 2.847 N/A HIS 345.A NE2 TYR 416.A OH no hydrogen 2.797 N/A TRP 347.A N GLY 360.A O no hydrogen 2.842 N/A PHE 349.A N PHE 357.A O no hydrogen 2.906 N/A TRP 351.A N SER 355.A O no hydrogen 2.860 N/A TRP 351.A NE1 GLY 431.A O no hydrogen 2.875 N/A LYS 352.A NZ GLU 432.A OE1 no hydrogen 2.733 N/A GLY 354.A N SER 290.A OG no hydrogen 2.889 N/A SER 355.A N LYS 352.A O no hydrogen 3.074 N/A SER 355.A OG LYS 352.A O no hydrogen 2.732 N/A VAL 356.A N TYR 368.A O no hydrogen 2.892 N/A PHE 357.A N PHE 349.A O no hydrogen 2.830 N/A GLN 358.A N ASN 366.A O no hydrogen 2.864 N/A GLN 358.A NE2 GLY 360.A O no hydrogen 3.089 N/A GLN 358.A NE2 SER 362.A OG no hydrogen 3.127 N/A GLN 358.A NE2 ALA 364.A O no hydrogen 3.499 N/A ALA 359.A N TRP 347.A O no hydrogen 2.970 N/A SER 362.A OG MET 331.A O no hydrogen 3.201 N/A SER 362.A OG ALA 364.A O no hydrogen 2.739 N/A THR 363.A N ASP 391.A OD1 no hydrogen 3.111 N/A THR 363.A OG1 ALA 389.A O no hydrogen 2.664 N/A THR 363.A OG1 ASP 391.A OD1 no hydrogen 3.569 N/A MET 365.A N GLY 380.A O no hydrogen 2.888 N/A ASN 366.A N GLN 358.A O no hydrogen 3.040 N/A ASN 366.A ND2 PRO 330.A O no hydrogen 3.148 N/A ASN 366.A ND2 GLN 358.A OE1 no hydrogen 2.823 N/A TRP 367.A N LYS 377.A O no hydrogen 2.804 N/A TRP 367.A NE1 THR 435.A O no hydrogen 2.756 N/A TYR 368.A N VAL 356.A O no hydrogen 2.829 N/A TYR 368.A OH LYS 327.A O no hydrogen 2.733 N/A TYR 369.A N ASP 375.A O no hydrogen 2.972 N/A THR 370.A OG1 GLY 354.A O no hydrogen 2.689 N/A GLY 374.A N SER 371.A O no hydrogen 3.055 N/A ASP 375.A N TYR 369.A O no hydrogen 3.327 N/A VAL 376.A N ASP 375.A OD1 no hydrogen 2.807 N/A LYS 377.A N TRP 367.A O no hydrogen 2.953 N/A ALA 379.A N MET 365.A O no hydrogen 2.904 N/A GLY 380.A N SER 378.A OG no hydrogen 3.250 N/A ARG 382.A N THR 363.A O no hydrogen 2.917 N/A ARG 382.A NH1 ALA 359.A O no hydrogen 2.904 N/A ARG 382.A NH1 SER 362.A O no hydrogen 2.808 N/A ARG 382.A NH2 PRO 361.A O no hydrogen 2.991 N/A ARG 382.A NH2 PRO 390.A O no hydrogen 3.140 N/A GLN 383.A N THR 439.A OG1 no hydrogen 3.280 N/A GLN 383.A NE2 LYS 381.A O no hydrogen 3.369 N/A SER 384.A N GLY 387.A O no hydrogen 3.032 N/A ARG 386.A N SER 384.A OG no hydrogen 2.978 N/A GLY 387.A N SER 384.A O no hydrogen 2.912 N/A ALA 389.A N ARG 382.A O no hydrogen 2.948 N/A ALA 392.A N PRO 361.A O no hydrogen 2.960 N/A MET 393.A N SER 413.A O no hydrogen 2.793 N/A GLY 395.A N ALA 392.A O no hydrogen 2.968 N/A ASN 396.A N PHE 410.A O no hydrogen 2.940 N/A ASN 396.A ND2 HIS 453.A O no hydrogen 3.433 N/A ASN 396.A ND2 SER 455.A OG no hydrogen 2.719 N/A VAL 398.A N LEU 408.A O no hydrogen 2.844 N/A ALA 402.A N ARG 600.A O no hydrogen 2.826 N/A LYS 404.A N ASP 401.A OD1 no hydrogen 3.057 N/A GLY 405.A N ALA 402.A O no hydrogen 3.133 N/A LYS 406.A N ASP 401.A O no hydrogen 2.857 N/A LYS 406.A NZ THR 429.A OG1 no hydrogen 2.753 N/A ILE 407.A N ILE 428.A O no hydrogen 2.915 N/A LEU 408.A N VAL 398.A O no hydrogen 2.839 N/A THR 409.A N HIS 426.A O no hydrogen 2.957 N/A PHE 410.A N ASN 396.A O no hydrogen 3.011 N/A GLY 411.A N ASN 424.A O no hydrogen 2.983 N/A GLY 412.A N ARG 450.A O no hydrogen 2.909 N/A SER 413.A N MET 393.A O no hydrogen 3.083 N/A SER 413.A OG ASP 415.A O no hydrogen 2.668 N/A SER 413.A OG SER 419.A OG no hydrogen 3.115 N/A ASP 415.A N SER 419.A OG no hydrogen 3.235 N/A TYR 416.A N ASP 335.A OD2 no hydrogen 2.850 N/A TYR 416.A OH HIS 345.A NE2 no hydrogen 2.797 N/A GLN 417.A NE2 ASP 418.A OD2 no hydrogen 3.353 N/A ASP 418.A N GLY 472.A O no hydrogen 2.721 N/A SER 419.A OG ASP 415.A O no hydrogen 2.881 N/A ALA 421.A N ARG 470.A O no hydrogen 2.873 N/A THR 422.A N GLY 412.A O no hydrogen 3.078 N/A ASN 424.A N THR 422.A OG1 no hydrogen 3.080 N/A ASN 424.A ND2 THR 422.A OG1 no hydrogen 3.058 N/A HIS 426.A N THR 409.A O no hydrogen 2.935 N/A ILE 427.A N VAL 440.A O no hydrogen 2.863 N/A ILE 428.A N ILE 407.A O no hydrogen 2.819 N/A THR 429.A N ASN 438.A O no hydrogen 3.030 N/A LEU 430.A N GLY 405.A O no hydrogen 2.767 N/A THR 435.A N GLU 432.A O no hydrogen 3.161 N/A THR 435.A OG1 GLU 432.A O no hydrogen 2.621 N/A THR 439.A OG1 GLN 383.A O no hydrogen 2.681 N/A VAL 440.A N ILE 427.A O no hydrogen 3.105 N/A ALA 442.A N ALA 425.A O no hydrogen 2.877 N/A SER 443.A N ASP 492.A OD1 no hydrogen 3.024 N/A SER 443.A OG ASP 492.A O no hydrogen 3.279 N/A GLY 445.A N ALA 442.A O no hydrogen 2.894 N/A LEU 446.A N THR 423.A O no hydrogen 2.912 N/A TYR 447.A N GLU 485.A OE1 no hydrogen 2.776 N/A PHE 448.A N GLU 485.A OE2 no hydrogen 2.989 N/A ARG 450.A NE PHE 448.A O no hydrogen 3.215 N/A ARG 450.A NH1 GLY 467.A O no hydrogen 2.966 N/A ARG 450.A NH1 THR 483.A O no hydrogen 3.479 N/A ARG 450.A NH2 THR 483.A O no hydrogen 2.809 N/A ARG 450.A NH2 GLU 485.A OE2 no hydrogen 2.830 N/A THR 451.A N GLN 469.A O no hydrogen 2.979 N/A THR 451.A OG1 MET 393.A O no hydrogen 3.472 N/A HIS 453.A N HIS 453.A ND1 no hydrogen 2.826 N/A HIS 453.A NE2 PHE 410.A O no hydrogen 3.079 N/A THR 454.A N THR 466.A O no hydrogen 3.002 N/A THR 454.A OG1 SER 510.A OG no hydrogen 2.702 N/A VAL 456.A N PHE 464.A O no hydrogen 3.025 N/A VAL 457.A N GLN 598.A OE1 no hydrogen 3.312 N/A LEU 458.A N SER 462.A O no hydrogen 2.767 N/A GLY 461.A N LEU 458.A O no hydrogen 2.903 N/A SER 462.A N ASP 460.A OD1 no hydrogen 3.062 N/A SER 462.A OG ASP 460.A OD1 no hydrogen 2.696 N/A THR 463.A N TYR 487.A O no hydrogen 3.011 N/A PHE 464.A N VAL 456.A O no hydrogen 2.904 N/A ILE 465.A N GLU 485.A O no hydrogen 2.760 N/A THR 466.A N THR 454.A O no hydrogen 2.927 N/A GLY 468.A N ARG 504.A O no hydrogen 2.770 N/A GLN 469.A N THR 451.A O no hydrogen 2.988 N/A ARG 470.A N THR 479.A O no hydrogen 2.911 N/A ARG 471.A N THR 479.A OG1 no hydrogen 3.238 N/A ARG 471.A NH1 ASP 418.A OD1 no hydrogen 3.369 N/A GLY 472.A N SER 419.A O no hydrogen 3.338 N/A GLU 476.A N ILE 473.A O no hydrogen 2.987 N/A SER 478.A OG GLU 476.A OE1 no hydrogen 2.612 N/A VAL 481.A N GLY 468.A O no hydrogen 3.014 N/A GLU 485.A N ILE 465.A O no hydrogen 2.884 N/A ILE 486.A N TYR 495.A O no hydrogen 2.886 N/A TYR 487.A N THR 463.A O no hydrogen 2.918 N/A TYR 487.A OH ASP 492.A OD1 no hydrogen 2.637 N/A VAL 488.A N THR 493.A O no hydrogen 2.892 N/A GLN 491.A N VAL 488.A O no hydrogen 3.168 N/A ASP 492.A N PRO 489.A O no hydrogen 3.035 N/A THR 493.A N VAL 488.A O no hydrogen 3.392 N/A THR 493.A OG1 GLN 491.A O no hydrogen 2.810 N/A TYR 495.A N ILE 486.A O no hydrogen 2.819 N/A TYR 495.A OH GLN 491.A OE1 no hydrogen 2.502 N/A GLN 497.A N PRO 484.A O no hydrogen 2.938 N/A ASN 498.A N LEU 170.A O no hydrogen 3.000 N/A ASN 498.A ND2 GLN 167.A O no hydrogen 2.929 N/A ASN 498.A ND2 GLY 171.A O no hydrogen 2.789 N/A ASN 500.A N PHE 482.A O no hydrogen 3.057 N/A ASN 500.A ND2 ILE 502.A O no hydrogen 2.946 N/A SER 501.A N GLU 129.A OE2 no hydrogen 2.820 N/A SER 501.A OG PHE 128.A O no hydrogen 3.412 N/A SER 501.A OG GLU 129.A OE2 no hydrogen 2.976 N/A ARG 504.A NH1 GLY 522.A O no hydrogen 2.923 N/A ARG 504.A NH1 ASP 535.A OD1 no hydrogen 2.920 N/A ARG 504.A NH2 ASP 535.A OD1 no hydrogen 2.901 N/A HIS 507.A ND1 GLY 524.A O no hydrogen 2.922 N/A SER 508.A N VAL 505.A O no hydrogen 3.044 N/A SER 508.A OG VAL 505.A O no hydrogen 2.754 N/A ILE 509.A N GLY 521.A O no hydrogen 2.817 N/A SER 510.A OG THR 454.A OG1 no hydrogen 2.702 N/A SER 510.A OG ILE 509.A O no hydrogen 3.236 N/A SER 510.A OG ASN 520.A OD1 no hydrogen 3.006 N/A LEU 511.A N PHE 519.A O no hydrogen 2.921 N/A LEU 513.A N ARG 517.A O no hydrogen 2.891 N/A GLY 516.A N LEU 513.A O no hydrogen 2.912 N/A ARG 517.A N ASP 515.A OD1 no hydrogen 3.058 N/A ARG 517.A NE ASP 515.A OD1 no hydrogen 2.964 N/A ARG 517.A NE ASP 515.A OD2 no hydrogen 3.453 N/A ARG 517.A NH2 ASP 515.A OD2 no hydrogen 2.990 N/A VAL 518.A N PHE 539.A O no hydrogen 2.964 N/A PHE 519.A N LEU 511.A O no hydrogen 2.946 N/A ASN 520.A N GLN 537.A O no hydrogen 3.005 N/A GLY 521.A N ILE 509.A O no hydrogen 2.953 N/A GLY 522.A N ASP 535.A O no hydrogen 3.055 N/A GLY 523.A N HIS 507.A O no hydrogen 2.929 N/A GLY 524.A N TYR 506.A O no hydrogen 2.975 N/A LEU 525.A N ASN 532.A OD1 no hydrogen 2.666 N/A CYS 526.A N ASN 532.A OD1 no hydrogen 2.790 N/A CYS 526.A SG THR 531.A OG1 no hydrogen 3.310 N/A CYS 526.A SG ASN 532.A OD1 no hydrogen 3.756 N/A CYS 529.A N CYS 526.A O no hydrogen 3.225 N/A CYS 529.A SG THR 531.A OG1 no hydrogen 3.701 N/A CYS 529.A SG ASN 532.A OD1 no hydrogen 3.265 N/A THR 531.A OG1 PHE 475.A O no hydrogen 2.735 N/A ASN 532.A ND2 ARG 12.A O no hydrogen 2.904 N/A ASN 532.A ND2 GLY 527.A O no hydrogen 2.901 N/A HIS 533.A N GLY 523.A O no hydrogen 2.959 N/A ALA 536.A N ILE 177.A O no hydrogen 3.049 N/A GLN 537.A N ASN 520.A O no hydrogen 2.720 N/A ILE 538.A N PRO 175.A O no hydrogen 3.255 N/A PHE 539.A N VAL 518.A O no hydrogen 2.875 N/A THR 540.A N ARG 172.A O no hydrogen 2.836 N/A TYR 543.A OH GLY 516.A O no hydrogen 2.722 N/A LEU 544.A N PRO 541.A O no hydrogen 3.064 N/A TYR 545.A N ASN 542.A O no hydrogen 2.992 N/A ASN 546.A N ASN 550.A O no hydrogen 2.900 N/A GLY 549.A N ASN 546.A O no hydrogen 3.065 N/A ASN 550.A N ASN 546.A OD1 no hydrogen 3.089 N/A ALA 552.A N LEU 544.A O no hydrogen 2.829 N/A ARG 554.A NE PRO 640.A O no hydrogen 2.812 N/A ARG 554.A NH1 ASP 515.A O no hydrogen 3.078 N/A ARG 554.A NH2 ASP 515.A O no hydrogen 2.770 N/A ARG 554.A NH2 PRO 640.A O no hydrogen 3.301 N/A ARG 554.A NH2 SER 641.A O no hydrogen 3.038 N/A LYS 556.A N ASP 576.A OD1 no hydrogen 2.891 N/A LYS 556.A NZ ARG 554.A O no hydrogen 3.064 N/A THR 558.A N SER 574.A O no hydrogen 2.827 N/A THR 560.A OG1 GLN 563.A OE1 no hydrogen 3.192 N/A SER 561.A N THR 572.A O no hydrogen 2.804 N/A SER 561.A OG THR 572.A O no hydrogen 3.312 N/A THR 562.A OG1 SER 564.A O no hydrogen 2.893 N/A SER 564.A N THR 562.A OG1 no hydrogen 3.226 N/A VAL 565.A N ARG 647.A O no hydrogen 2.863 N/A VAL 567.A N THR 649.A O no hydrogen 2.848 N/A GLY 569.A N LYS 566.A O no hydrogen 2.793 N/A ILE 571.A N PHE 615.A O no hydrogen 3.031 N/A THR 572.A N SER 561.A OG no hydrogen 2.925 N/A ILE 573.A N TYR 613.A O no hydrogen 2.716 N/A SER 574.A N ARG 559.A O no hydrogen 2.989 N/A THR 575.A N ASN 611.A O no hydrogen 3.005 N/A THR 575.A OG1 SER 577.A O no hydrogen 2.646 N/A THR 575.A OG1 ASN 611.A O no hydrogen 3.492 N/A ASP 576.A N LYS 556.A O no hydrogen 3.044 N/A SER 577.A OG ASP 576.A OD1 no hydrogen 3.149 N/A ILE 579.A N TYR 613.A OH no hydrogen 3.211 N/A SER 580.A N MET 634.A O no hydrogen 2.839 N/A SER 580.A OG MET 634.A O no hydrogen 3.350 N/A LYS 581.A N MET 634.A O no hydrogen 3.337 N/A SER 583.A N PHE 632.A O no hydrogen 2.884 N/A SER 583.A OG PRO 459.A O no hydrogen 2.911 N/A LEU 584.A N ILE 601.A O no hydrogen 2.909 N/A ILE 585.A N MET 630.A O no hydrogen 2.866 N/A ARG 586.A N ARG 599.A O no hydrogen 2.974 N/A ARG 586.A NE PRO 626.A O no hydrogen 3.427 N/A ARG 586.A NH1 ASP 597.A O no hydrogen 3.103 N/A ARG 586.A NH1 ASP 597.A OD1 no hydrogen 2.909 N/A ARG 586.A NH2 MET 244.A O no hydrogen 2.919 N/A ARG 586.A NH2 PRO 626.A O no hydrogen 2.933 N/A TYR 587.A N TYR 628.A O no hydrogen 3.049 N/A TYR 587.A OH THR 645.A OG1 no hydrogen 2.700 N/A THR 589.A OG1 ASP 597.A OD2 no hydrogen 2.550 N/A ALA 590.A N ALA 186.A O no hydrogen 2.800 N/A THR 591.A N VAL 594.A O no hydrogen 3.273 N/A THR 591.A OG1 ALA 184.A O no hydrogen 2.869 N/A THR 591.A OG1 HIS 592.A ND1 no hydrogen 2.971 N/A HIS 592.A ND1 THR 591.A OG1 no hydrogen 2.971 N/A THR 593.A OG1 HIS 592.A O no hydrogen 2.449 N/A VAL 594.A N THR 591.A O no hydrogen 2.900 N/A THR 596.A OG1 SER 286.A O no hydrogen 2.636 N/A ASP 597.A N ASN 595.A OD1 no hydrogen 3.161 N/A GLN 598.A N ASN 595.A OD1 no hydrogen 2.990 N/A GLN 598.A NE2 SER 455.A O no hydrogen 3.175 N/A ARG 599.A NH1 GLY 350.A O no hydrogen 3.449 N/A ARG 599.A NH1 GLY 622.A O no hydrogen 2.989 N/A ARG 599.A NH1 VAL 623.A O no hydrogen 3.052 N/A ARG 599.A NH2 GLY 350.A O no hydrogen 2.763 N/A ARG 600.A N MET 399.A O no hydrogen 3.143 N/A ARG 600.A NE PRO 459.A O no hydrogen 3.406 N/A ARG 600.A NH1 TYR 400.A O no hydrogen 2.789 N/A ILE 601.A N LEU 584.A O no hydrogen 2.788 N/A LEU 603.A N ALA 582.A O no hydrogen 2.944 N/A THR 606.A N SER 614.A O no hydrogen 2.937 N/A ASN 608.A N SER 612.A O no hydrogen 2.836 N/A ASN 608.A ND2 SER 612.A OG no hydrogen 3.384 N/A GLY 609.A N ASN 607.A OD1 no hydrogen 2.778 N/A SER 612.A N GLY 609.A O no hydrogen 3.213 N/A TYR 613.A N ILE 573.A O no hydrogen 2.938 N/A SER 614.A N THR 606.A O no hydrogen 3.099 N/A PHE 615.A N ILE 571.A O no hydrogen 2.995 N/A GLN 616.A NE2 GLY 568.A O no hydrogen 2.960 N/A VAL 617.A N GLY 569.A O no hydrogen 2.849 N/A SER 621.A OG SER 290.A O no hydrogen 2.838 N/A GLY 622.A N ASP 620.A OD1 no hydrogen 2.825 N/A VAL 623.A N ASP 620.A O no hydrogen 2.994 N/A ALA 624.A N ASP 620.A O no hydrogen 2.989 N/A GLY 627.A N VAL 648.A O no hydrogen 2.967 N/A TRP 629.A N ILE 646.A O no hydrogen 2.782 N/A TRP 629.A NE1 LEU 625.A O no hydrogen 2.844 N/A MET 630.A N ILE 585.A O no hydrogen 2.696 N/A LEU 631.A N SER 644.A O no hydrogen 2.829 N/A PHE 632.A N SER 583.A O no hydrogen 2.945 N/A VAL 633.A N SER 641.A OG no hydrogen 3.120 N/A MET 634.A N LYS 581.A O no hydrogen 2.866 N/A ASN 635.A N VAL 639.A O no hydrogen 3.117 N/A ALA 637.A N ASN 635.A OD1 no hydrogen 2.891 N/A GLY 638.A N ASN 635.A O no hydrogen 2.934 N/A VAL 639.A N ASN 635.A OD1 no hydrogen 3.032 N/A SER 641.A N VAL 633.A O no hydrogen 2.857 N/A SER 641.A OG VAL 633.A O no hydrogen 3.541 N/A SER 641.A OG VAL 642.A O no hydrogen 2.845 N/A ALA 643.A N PRO 514.A O no hydrogen 2.822 N/A SER 644.A N LEU 631.A O no hydrogen 3.028 N/A THR 645.A OG1 TYR 587.A OH no hydrogen 2.700 N/A ILE 646.A N TRP 629.A O no hydrogen 2.885 N/A ARG 647.A N GLN 563.A O no hydrogen 2.845 N/A VAL 648.A N GLY 627.A O no hydrogen 2.798 N/A THR 649.A N VAL 565.A O no hydrogen 2.861 N/A THR 649.A OG1 VAL 565.A O no hydrogen 3.513 N/A