Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6uj6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 31.A O no hydrogen 3.510 N/A LYS 2.A NZ GLU 263.A OE1 no hydrogen 3.472 N/A VAL 4.A N SER 34.A O no hydrogen 2.971 N/A ARG 5.A N ASP 56.A OD2 no hydrogen 2.679 N/A ARG 5.A NE ASP 56.A OD1 no hydrogen 3.335 N/A ARG 5.A NE ASP 56.A OD2 no hydrogen 3.187 N/A ARG 5.A NH1 ASN 53.A O no hydrogen 2.802 N/A ARG 5.A NH2 ASN 53.A O no hydrogen 2.985 N/A ARG 5.A NH2 ASN 53.A OD1 no hydrogen 3.011 N/A ARG 5.A NH2 ASP 56.A OD1 no hydrogen 2.935 N/A TRP 6.A N ALA 36.A O no hydrogen 2.603 N/A CYS 7.A N ALA 57.A O no hydrogen 2.817 N/A CYS 7.A SG ALA 8.A O no hydrogen 4.006 N/A CYS 7.A SG VAL 38.A O no hydrogen 4.047 N/A ALA 8.A N VAL 38.A O no hydrogen 2.740 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 3.066 N/A GLU 13.A N SER 10.A OG no hydrogen 2.968 N/A ALA 14.A N SER 10.A O no hydrogen 2.946 N/A THR 15.A N GLU 11.A O no hydrogen 2.890 N/A THR 15.A OG1 GLU 11.A O no hydrogen 3.049 N/A LYS 16.A N HIS 12.A O no hydrogen 3.162 N/A LYS 16.A NZ LEU 282.A O no hydrogen 2.778 N/A LYS 16.A NZ SER 284.A O no hydrogen 3.222 N/A LYS 16.A NZ LEU 291.A O no hydrogen 2.818 N/A CYS 17.A N GLU 13.A O no hydrogen 2.771 N/A CYS 17.A SG ALA 36.A O no hydrogen 4.013 N/A GLN 18.A N ALA 14.A O no hydrogen 2.943 N/A GLN 18.A N THR 15.A O no hydrogen 2.923 N/A SER 19.A N THR 15.A O no hydrogen 2.953 N/A SER 19.A OG HIS 23.A ND1 no hydrogen 3.336 N/A PHE 20.A N LYS 16.A O no hydrogen 2.733 N/A ARG 21.A N CYS 17.A O no hydrogen 2.869 N/A ARG 21.A NH2 ASP 22.A OD1 no hydrogen 2.774 N/A ASP 22.A N GLN 18.A O no hydrogen 2.891 N/A HIS 23.A N SER 19.A O no hydrogen 2.847 N/A HIS 23.A ND1 SER 19.A O no hydrogen 3.041 N/A HIS 23.A NE2 GLU 279.A OE2 no hydrogen 2.826 N/A MET 24.A N PHE 20.A O no hydrogen 2.856 N/A LYS 25.A N ARG 21.A O no hydrogen 3.227 N/A SER 26.A N HIS 23.A O no hydrogen 3.051 N/A VAL 27.A N MET 24.A O no hydrogen 2.950 N/A GLY 32.A N PRO 29.A O no hydrogen 2.967 N/A SER 34.A N LYS 2.A O no hydrogen 2.966 N/A ALA 36.A N VAL 4.A O no hydrogen 2.875 N/A VAL 38.A N TRP 6.A O no hydrogen 2.738 N/A LYS 39.A NZ LYS 40.A O no hydrogen 3.347 N/A LYS 40.A N ALA 8.A O no hydrogen 2.867 N/A SER 42.A OG ASP 45.A OD2 no hydrogen 3.223 N/A ASP 45.A N SER 42.A OG no hydrogen 3.110 N/A CYS 46.A N SER 42.A O no hydrogen 3.019 N/A CYS 46.A SG ALA 8.A O no hydrogen 3.406 N/A ILE 47.A N TYR 43.A O no hydrogen 3.049 N/A ARG 48.A N LEU 44.A O no hydrogen 2.959 N/A ALA 49.A N ASP 45.A O no hydrogen 2.841 N/A ILE 50.A N CYS 46.A O no hydrogen 2.921 N/A ALA 51.A N ILE 47.A O no hydrogen 3.028 N/A ALA 52.A N ARG 48.A O no hydrogen 2.789 N/A ASN 53.A N ILE 50.A O no hydrogen 3.264 N/A GLU 54.A N ALA 49.A O no hydrogen 2.854 N/A ASP 56.A N ARG 5.A O no hydrogen 2.821 N/A ALA 57.A N ARG 5.A O no hydrogen 3.191 N/A THR 59.A OG1 LEU 292.A O no hydrogen 3.087 N/A LEU 60.A N THR 248.A O no hydrogen 2.957 N/A VAL 65.A N ASP 61.A O no hydrogen 2.937 N/A TYR 66.A N ALA 62.A O no hydrogen 3.145 N/A TYR 66.A N GLY 63.A O no hydrogen 3.139 N/A ASP 67.A N GLY 63.A O no hydrogen 3.007 N/A ALA 68.A N LEU 64.A O no hydrogen 2.784 N/A TYR 69.A N TYR 66.A O no hydrogen 3.157 N/A LEU 70.A N TYR 66.A O no hydrogen 3.477 N/A ASN 73.A N LEU 70.A O no hydrogen 3.026 N/A ASN 73.A ND2 ASP 67.A O no hydrogen 3.317 N/A ASN 74.A N LEU 70.A O no hydrogen 3.308 N/A ASN 74.A ND2 TYR 69.A O no hydrogen 3.682 N/A LEU 75.A N ALA 68.A O no hydrogen 2.859 N/A LYS 76.A N ALA 251.A O no hydrogen 2.664 N/A LYS 76.A NZ GLU 258.A OE1 no hydrogen 3.419 N/A VAL 78.A N VAL 249.A O no hydrogen 3.007 N/A VAL 79.A N VAL 249.A O no hydrogen 3.282 N/A ALA 80.A N LEU 301.A O no hydrogen 2.896 N/A GLU 81.A N HIS 247.A O no hydrogen 3.117 N/A PHE 82.A N GLY 299.A O no hydrogen 3.075 N/A TYR 83.A N PRO 89.A O no hydrogen 3.027 N/A SER 85.A OG ASP 88.A O no hydrogen 2.655 N/A LYS 86.A NZ GLY 84.A O no hydrogen 3.378 N/A ASP 88.A N SER 85.A OG no hydrogen 3.046 N/A TYR 93.A N VAL 244.A O no hydrogen 2.915 N/A TYR 94.A N HIS 205.A ND1 no hydrogen 3.249 N/A ALA 95.A N ALA 242.A O no hydrogen 2.983 N/A VAL 96.A N VAL 203.A O no hydrogen 2.907 N/A VAL 98.A N ALA 201.A O no hydrogen 3.029 N/A VAL 99.A N GLU 222.A O no hydrogen 3.050 N/A LYS 100.A NZ LYS 194.A O no hydrogen 3.523 N/A LYS 100.A NZ TYR 221.A OH no hydrogen 3.261 N/A LYS 101.A N GLN 220.A O no hydrogen 2.742 N/A LYS 101.A NZ ASP 219.A O no hydrogen 3.002 N/A SER 103.A N LYS 100.A O no hydrogen 3.234 N/A SER 103.A OG LYS 100.A O no hydrogen 2.638 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 2.888 N/A GLN 109.A N GLN 106.A O no hydrogen 2.912 N/A LEU 110.A N MET 107.A O no hydrogen 3.331 N/A GLY 112.A N PHE 151.A O no hydrogen 2.761 N/A LYS 113.A N LEU 110.A O no hydrogen 2.883 N/A LYS 113.A NZ GLN 109.A O no hydrogen 3.097 N/A LYS 113.A NZ ARG 111.A O no hydrogen 3.390 N/A LYS 114.A N ASP 199.A OD2 no hydrogen 2.826 N/A SER 115.A N GLY 154.A O no hydrogen 3.138 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.628 N/A CYS 116.A N VAL 200.A O no hydrogen 2.728 N/A CYS 116.A SG VAL 200.A O no hydrogen 3.406 N/A HIS 117.A N CYS 156.A O no hydrogen 3.088 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.725 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.628 N/A LEU 120.A N PRO 158.A O no hydrogen 2.769 N/A ARG 122.A N GLY 119.A O no hydrogen 2.999 N/A TRP 126.A N SER 123.A O no hydrogen 3.371 N/A ASN 127.A N ARG 122.A O no hydrogen 2.828 N/A ASN 127.A ND2 GLY 121.A O no hydrogen 2.796 N/A ILE 128.A N SER 123.A O no hydrogen 3.001 N/A ILE 130.A N TRP 126.A O no hydrogen 2.926 N/A GLY 131.A N ASN 127.A O no hydrogen 2.973 N/A LEU 132.A N ILE 128.A O no hydrogen 2.857 N/A LEU 133.A N PRO 129.A O no hydrogen 2.814 N/A TYR 134.A N GLY 131.A O no hydrogen 3.099 N/A ASP 136.A N LEU 133.A O no hydrogen 2.785 N/A LEU 137.A N TYR 134.A O no hydrogen 3.190 N/A ALA 147.A N PRO 143.A O no hydrogen 3.376 N/A VAL 148.A N LEU 144.A O no hydrogen 2.933 N/A ALA 149.A N GLU 145.A O no hydrogen 2.780 N/A ASN 150.A N ALA 147.A O no hydrogen 3.246 N/A PHE 151.A N VAL 148.A O no hydrogen 2.794 N/A PHE 152.A N VAL 148.A O no hydrogen 3.191 N/A SER 153.A N LYS 113.A O no hydrogen 3.037 N/A SER 153.A OG GLY 112.A O no hydrogen 2.808 N/A SER 155.A N GLN 167.A O no hydrogen 2.880 N/A CYS 156.A N SER 115.A O no hydrogen 3.127 N/A CYS 156.A SG TYR 183.A O no hydrogen 3.761 N/A ALA 157.A N LEU 168.A O no hydrogen 2.767 N/A CYS 159.A N CYS 175.A O no hydrogen 2.990 N/A ALA 160.A N ALA 157.A O no hydrogen 3.113 N/A ASP 161.A N GLU 145.A OE2 no hydrogen 2.819 N/A GLY 162.A N ALA 160.A O no hydrogen 3.077 N/A ASP 164.A N ASP 161.A OD1 no hydrogen 2.838 N/A PHE 165.A N ASP 161.A O no hydrogen 3.019 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.882 N/A LEU 168.A N PHE 165.A O no hydrogen 3.130 N/A CYS 169.A N PRO 166.A O no hydrogen 2.870 N/A GLN 170.A N GLN 167.A O no hydrogen 3.401 N/A LEU 171.A N SER 155.A O no hydrogen 3.091 N/A CYS 172.A N CYS 169.A O no hydrogen 3.116 N/A CYS 175.A N CYS 172.A O no hydrogen 3.045 N/A CYS 175.A SG ALA 157.A O no hydrogen 3.004 N/A LEU 180.A N SER 178.A OG no hydrogen 2.978 N/A ASN 181.A N SER 178.A O no hydrogen 2.991 N/A ASN 181.A ND2 GLY 176.A O no hydrogen 2.897 N/A TYR 183.A N ASN 181.A OD1 no hydrogen 3.043 N/A PHE 184.A N ASN 181.A O no hydrogen 3.338 N/A GLY 185.A N THR 118.A O no hydrogen 3.033 N/A ALA 189.A N GLY 185.A O no hydrogen 3.266 N/A PHE 190.A N TYR 186.A O no hydrogen 3.084 N/A LYS 191.A N SER 187.A O no hydrogen 2.683 N/A LYS 191.A NZ GLN 182.A OE1 no hydrogen 3.518 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 2.731 N/A CYS 192.A N GLY 188.A O no hydrogen 2.797 N/A LEU 193.A N PHE 190.A O no hydrogen 2.736 N/A LYS 194.A N PHE 190.A O no hydrogen 2.993 N/A LYS 194.A NZ ASP 195.A OD1 no hydrogen 3.146 N/A ASP 195.A N LYS 191.A O no hydrogen 2.794 N/A GLY 196.A N LEU 193.A O no hydrogen 3.278 N/A GLY 198.A N CYS 192.A O no hydrogen 3.102 N/A ASP 199.A N LYS 114.A O no hydrogen 2.866 N/A VAL 200.A N LYS 114.A O no hydrogen 3.369 N/A ALA 201.A N VAL 98.A O no hydrogen 2.988 N/A PHE 202.A N CYS 116.A O no hydrogen 2.903 N/A VAL 203.A N VAL 96.A O no hydrogen 3.029 N/A LYS 204.A N THR 207.A OG1 no hydrogen 3.292 N/A HIS 205.A N TYR 94.A O no hydrogen 2.860 N/A THR 207.A N LYS 204.A O no hydrogen 3.115 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.227 N/A GLU 210.A N SER 206.A O no hydrogen 3.091 N/A ASN 211.A N ILE 208.A O no hydrogen 3.269 N/A ASN 211.A ND2 THR 207.A O no hydrogen 2.717 N/A LEU 212.A N ILE 208.A O no hydrogen 2.967 N/A LYS 215.A NZ ASP 219.A OD1 no hydrogen 3.173 N/A ASP 217.A N ASN 214.A O no hydrogen 2.820 N/A ARG 218.A N ASN 214.A O no hydrogen 3.460 N/A ARG 218.A NE LEU 212.A O no hydrogen 3.063 N/A ARG 218.A NH2 ALA 213.A O no hydrogen 3.312 N/A ASP 219.A N LYS 215.A O no hydrogen 2.884 N/A GLN 220.A N ASP 217.A O no hydrogen 3.134 N/A TYR 221.A N ARG 218.A O no hydrogen 2.875 N/A GLU 222.A N VAL 99.A O no hydrogen 3.002 N/A LEU 223.A N LYS 231.A O no hydrogen 2.951 N/A LEU 224.A N ALA 97.A O no hydrogen 3.050 N/A CYS 225.A N THR 229.A O no hydrogen 2.916 N/A CYS 225.A SG LEU 223.A O no hydrogen 4.012 N/A CYS 225.A SG THR 229.A O no hydrogen 3.312 N/A ASN 228.A N CYS 225.A O no hydrogen 2.989 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.857 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.817 N/A ARG 230.A NE PHE 105.A O no hydrogen 3.118 N/A ARG 230.A NH1 LYS 100.A O no hydrogen 2.883 N/A ARG 230.A NH1 SER 103.A OG no hydrogen 3.345 N/A ARG 230.A NH1 GLU 222.A OE1 no hydrogen 2.807 N/A ARG 230.A NH2 SER 103.A OG no hydrogen 3.089 N/A ARG 230.A NH2 PHE 105.A O no hydrogen 2.566 N/A LYS 231.A N LEU 223.A O no hydrogen 3.193 N/A GLU 235.A N PRO 232.A O no hydrogen 3.232 N/A ASP 238.A N GLU 235.A O no hydrogen 2.808 N/A CYS 239.A N TYR 236.A O no hydrogen 3.140 N/A CYS 239.A SG LEU 223.A O no hydrogen 3.573 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 2.729 N/A LEU 241.A N ALA 95.A O no hydrogen 2.731 N/A GLN 243.A NE2 ARG 650.A O no hydrogen 2.894 N/A VAL 244.A N TYR 93.A O no hydrogen 2.858 N/A SER 246.A N THR 91.A O no hydrogen 3.160 N/A SER 246.A OG THR 91.A O no hydrogen 3.389 N/A HIS 247.A ND1 GLU 81.A OE2 no hydrogen 2.653 N/A THR 248.A N LEU 60.A O no hydrogen 2.981 N/A VAL 249.A N VAL 79.A O no hydrogen 2.864 N/A VAL 250.A N VAL 58.A O no hydrogen 3.023 N/A ALA 251.A N LYS 76.A O no hydrogen 3.007 N/A ARG 252.A NE ILE 50.A O no hydrogen 2.794 N/A ARG 252.A NH2 ALA 55.A O no hydrogen 2.837 N/A ARG 252.A NH2 ASP 56.A OD1 no hydrogen 2.608 N/A SER 253.A N ASN 74.A O no hydrogen 3.243 N/A SER 253.A OG ASN 74.A O no hydrogen 2.576 N/A LYS 257.A NZ THR 3.A O no hydrogen 2.804 N/A LYS 257.A NZ ASP 56.A OD1 no hydrogen 3.403 N/A LYS 257.A NZ ASP 56.A OD2 no hydrogen 2.738 N/A ILE 261.A N LYS 257.A O no hydrogen 3.011 N/A TRP 262.A N GLU 258.A O no hydrogen 3.047 N/A GLU 263.A N ASP 259.A O no hydrogen 2.797 N/A LEU 264.A N LEU 260.A O no hydrogen 2.606 N/A LEU 265.A N ILE 261.A O no hydrogen 2.871 N/A ASN 266.A N TRP 262.A O no hydrogen 2.796 N/A GLN 267.A N GLU 263.A O no hydrogen 3.144 N/A ALA 268.A N LEU 264.A O no hydrogen 2.838 N/A GLN 269.A N LEU 265.A O no hydrogen 2.835 N/A GLN 269.A N ASN 266.A O no hydrogen 3.130 N/A GLN 269.A NE2 ASN 266.A OD1 no hydrogen 3.037 N/A GLN 269.A NE2 PHE 300.A O no hydrogen 3.150 N/A GLU 270.A N ASN 266.A O no hydrogen 3.044 N/A HIS 271.A N GLN 267.A O no hydrogen 3.061 N/A PHE 272.A N ALA 268.A O no hydrogen 2.978 N/A GLY 273.A N GLN 269.A O no hydrogen 3.002 N/A LYS 276.A NZ GLU 270.A O no hydrogen 3.082 N/A LYS 278.A NZ HIS 271.A O no hydrogen 2.925 N/A LEU 282.A N PHE 272.A O no hydrogen 3.201 N/A SER 284.A N GLN 281.A O no hydrogen 3.254 N/A SER 285.A OG HIS 287.A ND1 no hydrogen 2.984 N/A HIS 287.A ND1 SER 285.A OG no hydrogen 2.984 N/A GLY 288.A N SER 285.A O no hydrogen 3.428 N/A ASP 290.A N ASP 295.A OD1 no hydrogen 3.029 N/A LEU 292.A N GLU 13.A OE2 no hydrogen 2.992 N/A LYS 294.A N GLU 81.A OE1 no hydrogen 3.203 N/A LYS 294.A N GLU 81.A OE2 no hydrogen 3.229 N/A LYS 294.A NZ ASP 61.A OD1 no hydrogen 3.409 N/A ASP 295.A N ASP 290.A OD1 no hydrogen 3.018 N/A ALA 297.A N LYS 294.A O no hydrogen 3.147 N/A HIS 298.A N PHE 82.A O no hydrogen 2.805 N/A HIS 298.A ND1 SER 296.A O no hydrogen 3.092 N/A PHE 300.A N GLN 269.A OE1 no hydrogen 2.979 N/A LEU 301.A N ALA 80.A O no hydrogen 2.758 N/A LYS 302.A NZ ASP 259.A OD1 no hydrogen 3.185 N/A VAL 303.A N VAL 78.A O no hydrogen 3.006 N/A ARG 306.A NH1 ARG 306.A O no hydrogen 2.667 N/A ARG 306.A NH2 ASP 369.A OD1 no hydrogen 3.244 N/A MET 307.A N PRO 304.A O no hydrogen 3.217 N/A MET 311.A N ASP 308.A OD1 no hydrogen 3.085 N/A TYR 312.A N ASP 308.A O no hydrogen 3.055 N/A LEU 313.A N ALA 309.A O no hydrogen 2.845 N/A GLY 314.A N LYS 310.A O no hydrogen 3.003 N/A TYR 315.A OH ASP 575.A OD2 no hydrogen 3.416 N/A VAL 318.A N GLY 314.A O no hydrogen 3.156 N/A THR 319.A N TYR 315.A O no hydrogen 2.946 N/A THR 319.A OG1 TYR 315.A O no hydrogen 2.721 N/A ALA 320.A N GLU 316.A O no hydrogen 3.163 N/A ILE 321.A N TYR 317.A O no hydrogen 3.086 N/A ARG 322.A N VAL 318.A O no hydrogen 2.825 N/A ASN 323.A N THR 319.A O no hydrogen 3.026 N/A ASN 323.A ND2 GLY 131.A O no hydrogen 3.102 N/A LEU 324.A N ALA 320.A O no hydrogen 3.091 N/A ARG 325.A N ILE 321.A O no hydrogen 2.659 N/A GLU 326.A N ARG 322.A O no hydrogen 2.937 N/A GLY 327.A N ASN 323.A O no hydrogen 2.685 N/A CYS 332.A SG CYS 579.A O no hydrogen 3.954 N/A VAL 335.A N LYS 358.A O no hydrogen 3.176 N/A LYS 336.A N ASP 380.A OD2 no hydrogen 3.103 N/A TRP 337.A N GLU 360.A O no hydrogen 2.958 N/A CYS 338.A N ALA 381.A O no hydrogen 2.941 N/A CYS 338.A SG VAL 362.A O no hydrogen 3.674 N/A ALA 339.A N VAL 362.A O no hydrogen 3.160 N/A LEU 340.A N GLU 344.A OE1 no hydrogen 3.070 N/A GLU 344.A N SER 341.A OG no hydrogen 3.178 N/A ARG 345.A N SER 341.A O no hydrogen 2.877 N/A ARG 345.A NE ASP 349.A OD1 no hydrogen 2.961 N/A LEU 346.A N HIS 342.A O no hydrogen 2.894 N/A LYS 347.A N HIS 343.A O no hydrogen 3.117 N/A LYS 347.A NZ ARG 596.A O no hydrogen 3.558 N/A LYS 347.A NZ LEU 602.A O no hydrogen 3.107 N/A CYS 348.A N GLU 344.A O no hydrogen 2.829 N/A ASP 349.A N ARG 345.A O no hydrogen 2.808 N/A GLU 350.A N LEU 346.A O no hydrogen 3.122 N/A TRP 351.A N LYS 347.A O no hydrogen 3.095 N/A TRP 351.A NE1 GLN 587.A OE1 no hydrogen 3.214 N/A SER 352.A N CYS 348.A O no hydrogen 2.931 N/A SER 352.A OG ILE 359.A O no hydrogen 2.722 N/A VAL 353.A N ASP 349.A O no hydrogen 3.341 N/A ASN 354.A N GLU 350.A O no hydrogen 3.029 N/A SER 355.A OG TRP 351.A O no hydrogen 2.959 N/A SER 355.A OG SER 352.A O no hydrogen 2.811 N/A GLY 357.A N SER 352.A O no hydrogen 3.161 N/A LYS 358.A N SER 355.A O no hydrogen 3.168 N/A GLU 360.A N VAL 335.A O no hydrogen 3.030 N/A VAL 362.A N TRP 337.A O no hydrogen 2.877 N/A ALA 364.A N ALA 339.A O no hydrogen 3.061 N/A ASP 369.A N THR 366.A OG1 no hydrogen 3.327 N/A CYS 370.A N THR 366.A O no hydrogen 3.395 N/A CYS 370.A SG ALA 339.A O no hydrogen 3.673 N/A ILE 371.A N THR 367.A O no hydrogen 2.993 N/A ALA 372.A N GLU 368.A O no hydrogen 2.899 N/A LYS 373.A N ASP 369.A O no hydrogen 3.107 N/A LYS 373.A N CYS 370.A O no hydrogen 2.740 N/A ILE 374.A N CYS 370.A O no hydrogen 2.940 N/A ILE 374.A N ILE 371.A O no hydrogen 2.955 N/A MET 375.A N ILE 371.A O no hydrogen 2.940 N/A ASN 376.A ND2 GLU 378.A OE1 no hydrogen 3.399 N/A GLU 378.A N ASN 376.A OD1 no hydrogen 2.950 N/A ALA 379.A N LYS 373.A O no hydrogen 3.005 N/A ASP 380.A N LYS 336.A O no hydrogen 2.816 N/A ALA 381.A N LYS 336.A O no hydrogen 3.012 N/A LEU 384.A N ALA 569.A O no hydrogen 2.790 N/A GLY 387.A N ASP 385.A OD2 no hydrogen 3.003 N/A PHE 388.A N ASP 385.A O no hydrogen 3.041 N/A VAL 389.A N ASP 385.A O no hydrogen 3.042 N/A TYR 390.A N GLY 386.A O no hydrogen 3.254 N/A ILE 391.A N GLY 387.A O no hydrogen 3.393 N/A ALA 392.A N PHE 388.A O no hydrogen 2.808 N/A GLY 393.A N VAL 389.A O no hydrogen 2.583 N/A LYS 394.A N TYR 390.A O no hydrogen 2.801 N/A LYS 394.A NZ TYR 390.A OH no hydrogen 3.355 N/A LYS 394.A NZ TYR 620.A OH no hydrogen 3.172 N/A CYS 395.A N ILE 391.A O no hydrogen 2.842 N/A CYS 395.A SG ILE 391.A O no hydrogen 3.501 N/A GLY 396.A N GLY 393.A O no hydrogen 2.472 N/A LEU 397.A N ALA 392.A O no hydrogen 2.906 N/A VAL 398.A N THR 572.A O no hydrogen 2.696 N/A VAL 400.A N VAL 570.A O no hydrogen 3.178 N/A ALA 402.A N ALA 612.A O no hydrogen 3.094 N/A GLU 403.A N HIS 568.A O no hydrogen 2.970 N/A ASN 404.A N CYS 610.A O no hydrogen 2.742 N/A TYR 409.A N ASN 567.A OD1 no hydrogen 3.334 N/A PHE 410.A N HIS 518.A ND1 no hydrogen 3.083 N/A ALA 411.A N ALA 563.A O no hydrogen 3.068 N/A VAL 412.A N VAL 516.A O no hydrogen 2.879 N/A VAL 414.A N ALA 514.A O no hydrogen 2.745 N/A VAL 415.A N GLU 543.A O no hydrogen 2.963 N/A LYS 417.A N ASP 541.A O no hydrogen 2.596 N/A SER 420.A OG SER 418.A O no hydrogen 3.250 N/A THR 423.A OG1 GLY 549.A O no hydrogen 2.686 N/A GLY 429.A N PHE 462.A O no hydrogen 2.793 N/A LYS 430.A N LEU 427.A O no hydrogen 2.940 N/A LYS 431.A N ASP 512.A OD2 no hydrogen 3.204 N/A LYS 431.A NZ GLU 465.A OE2 no hydrogen 3.455 N/A SER 432.A N GLU 465.A O no hydrogen 3.337 N/A SER 432.A OG HIS 434.A NE2 no hydrogen 2.893 N/A CYS 433.A N VAL 513.A O no hydrogen 2.925 N/A HIS 434.A N CYS 467.A O no hydrogen 2.980 N/A HIS 434.A ND1 GLY 442.A O no hydrogen 2.868 N/A HIS 434.A NE2 SER 432.A OG no hydrogen 2.893 N/A THR 435.A OG1 ALA 436.A O no hydrogen 3.557 N/A VAL 437.A N PRO 469.A O no hydrogen 2.979 N/A ARG 439.A NH1 TYR 498.A OH no hydrogen 3.055 N/A ARG 439.A NH2 TYR 498.A OH no hydrogen 3.156 N/A THR 440.A N ASP 385.A OD2 no hydrogen 2.716 N/A THR 440.A OG1 ASP 385.A OD1 no hydrogen 3.109 N/A THR 440.A OG1 ASP 385.A OD2 no hydrogen 2.999 N/A THR 440.A OG1 TYR 628.A OH no hydrogen 2.864 N/A TRP 443.A N ARG 439.A O no hydrogen 2.901 N/A ASN 444.A N ARG 439.A O no hydrogen 2.868 N/A ASN 444.A ND2 TYR 628.A OH no hydrogen 3.016 N/A ILE 445.A N THR 440.A O no hydrogen 3.043 N/A MET 447.A N TRP 443.A O no hydrogen 2.686 N/A LEU 449.A N ILE 445.A O no hydrogen 2.878 N/A LEU 450.A N PRO 446.A O no hydrogen 2.952 N/A TYR 451.A N MET 447.A O no hydrogen 2.696 N/A LYS 453.A N LEU 450.A O no hydrogen 2.857 N/A ILE 454.A N TYR 451.A O no hydrogen 3.064 N/A CYS 457.A SG ASN 634.A O no hydrogen 3.824 N/A ARG 458.A N HIS 456.A ND1 no hydrogen 2.935 N/A ARG 458.A NE GLU 461.A OE1 no hydrogen 3.377 N/A ASP 460.A N ASP 460.A OD1 no hydrogen 2.617 N/A GLU 461.A N ARG 458.A O no hydrogen 3.029 N/A PHE 462.A N PHE 459.A O no hydrogen 3.020 N/A PHE 463.A N PHE 459.A O no hydrogen 3.238 N/A SER 464.A N LYS 430.A O no hydrogen 3.049 N/A SER 464.A OG GLY 429.A O no hydrogen 2.973 N/A SER 464.A OG LYS 430.A O no hydrogen 3.046 N/A GLY 466.A N SER 476.A O no hydrogen 2.935 N/A CYS 467.A N SER 432.A O no hydrogen 3.076 N/A ALA 468.A N LEU 477.A O no hydrogen 2.846 N/A GLY 470.A N CYS 489.A O no hydrogen 2.971 N/A SER 471.A N ALA 468.A O no hydrogen 3.103 N/A SER 471.A OG ALA 468.A O no hydrogen 2.831 N/A LYS 473.A NZ LEU 488.A O no hydrogen 3.023 N/A LYS 473.A NZ GLU 490.A OE1 no hydrogen 2.787 N/A SER 475.A N LYS 472.A O no hydrogen 2.718 N/A SER 476.A OG ASP 460.A O no hydrogen 2.821 N/A SER 476.A OG SER 464.A O no hydrogen 3.267 N/A LEU 477.A N SER 475.A OG no hydrogen 3.270 N/A CYS 478.A N SER 475.A O no hydrogen 2.969 N/A CYS 478.A SG SER 471.A O no hydrogen 3.782 N/A CYS 478.A SG LYS 472.A O no hydrogen 3.735 N/A LYS 479.A N SER 476.A O no hydrogen 3.290 N/A LEU 480.A N GLY 466.A O no hydrogen 2.902 N/A CYS 481.A N CYS 478.A O no hydrogen 3.185 N/A CYS 481.A SG CYS 478.A O no hydrogen 3.537 N/A MET 482.A N GLU 495.A OE2 no hydrogen 2.939 N/A GLY 483.A N GLU 495.A OE1 no hydrogen 3.054 N/A ASN 487.A ND2 SER 484.A O no hydrogen 3.220 N/A LEU 488.A N GLY 485.A O no hydrogen 3.197 N/A CYS 489.A N GLU 495.A OE1 no hydrogen 2.837 N/A CYS 489.A SG ALA 468.A O no hydrogen 3.872 N/A GLU 490.A N ASN 487.A O no hydrogen 3.105 N/A LYS 494.A N ASN 492.A OD1 no hydrogen 2.811 N/A GLU 495.A N ASN 492.A O no hydrogen 3.148 N/A TYR 497.A N GLU 495.A OE2 no hydrogen 3.215 N/A TYR 497.A OH GLU 509.A OE1 no hydrogen 2.464 N/A TYR 498.A N GLU 495.A O no hydrogen 2.845 N/A GLY 499.A N THR 435.A O no hydrogen 2.733 N/A TYR 500.A OH TYR 409.A OH no hydrogen 3.235 N/A TYR 500.A OH HIS 568.A NE2 no hydrogen 2.838 N/A ALA 503.A N GLY 499.A O no hydrogen 3.167 N/A PHE 504.A N TYR 500.A O no hydrogen 3.201 N/A ARG 505.A N THR 501.A O no hydrogen 2.707 N/A ARG 505.A NE GLU 509.A OE1 no hydrogen 2.841 N/A ARG 505.A NE GLU 509.A OE2 no hydrogen 3.190 N/A ARG 505.A NH2 GLU 509.A OE2 no hydrogen 3.221 N/A CYS 506.A N GLY 502.A O no hydrogen 2.636 N/A LEU 507.A N ALA 503.A O no hydrogen 3.146 N/A VAL 508.A N PHE 504.A O no hydrogen 2.885 N/A GLU 509.A N ARG 505.A O no hydrogen 2.979 N/A LYS 510.A N CYS 506.A O no hydrogen 2.825 N/A LYS 510.A NZ LEU 480.A O no hydrogen 3.570 N/A GLY 511.A N CYS 506.A O no hydrogen 2.983 N/A ASP 512.A N LYS 431.A O no hydrogen 2.842 N/A VAL 513.A N LYS 431.A O no hydrogen 3.178 N/A ALA 514.A N VAL 414.A O no hydrogen 2.816 N/A PHE 515.A N CYS 433.A O no hydrogen 3.046 N/A VAL 516.A N VAL 412.A O no hydrogen 3.082 N/A LYS 517.A NZ ASP 607.A OD2 no hydrogen 3.477 N/A HIS 518.A N PHE 410.A O no hydrogen 3.043 N/A GLN 519.A NE2 ASP 607.A OD2 no hydrogen 3.172 N/A THR 520.A N LYS 517.A O no hydrogen 3.214 N/A GLN 523.A N GLN 519.A O no hydrogen 3.401 N/A ASN 524.A N THR 520.A O no hydrogen 3.290 N/A ASN 524.A N VAL 521.A O no hydrogen 2.938 N/A ASN 524.A ND2 THR 520.A O no hydrogen 2.799 N/A THR 525.A OG1 VAL 521.A O no hydrogen 3.016 N/A THR 525.A OG1 PRO 522.A O no hydrogen 3.542 N/A GLY 526.A N LEU 537.A O no hydrogen 3.062 N/A LYS 528.A N THR 525.A O no hydrogen 3.236 N/A ASN 529.A ND2 ASN 524.A OD1 no hydrogen 2.800 N/A ASP 531.A N ASN 529.A OD1 no hydrogen 2.998 N/A ALA 534.A N ASP 531.A O no hydrogen 2.922 N/A LYS 535.A N ASP 531.A O no hydrogen 2.888 N/A LEU 537.A N ALA 534.A O no hydrogen 2.870 N/A ASP 541.A N ASN 538.A O no hydrogen 3.239 N/A TYR 542.A N GLU 539.A O no hydrogen 3.205 N/A GLU 543.A N VAL 415.A O no hydrogen 3.266 N/A LEU 544.A N LYS 552.A O no hydrogen 2.919 N/A LEU 545.A N ALA 413.A O no hydrogen 2.798 N/A CYS 546.A N THR 550.A O no hydrogen 3.206 N/A CYS 546.A SG THR 550.A OG1 no hydrogen 3.417 N/A THR 550.A N ASP 548.A OD1 no hydrogen 3.502 N/A THR 550.A OG1 ASP 548.A OD1 no hydrogen 3.165 N/A ARG 551.A NE GLU 543.A OE1 no hydrogen 3.308 N/A ARG 551.A NH1 ALA 419.A O no hydrogen 2.631 N/A ARG 551.A NH1 LEU 422.A O no hydrogen 3.401 N/A ARG 551.A NH2 GLU 543.A OE1 no hydrogen 2.787 N/A LYS 552.A N LEU 544.A O no hydrogen 3.350 N/A GLU 556.A N PRO 553.A O no hydrogen 2.932 N/A CYS 560.A N TYR 557.A O no hydrogen 3.142 N/A CYS 560.A SG LEU 544.A O no hydrogen 3.522 N/A LEU 562.A N ALA 411.A O no hydrogen 2.833 N/A ALA 565.A N TYR 409.A O no hydrogen 2.573 N/A ASN 567.A ND2 ASN 404.A OD1 no hydrogen 3.466 N/A ALA 569.A N LEU 384.A O no hydrogen 3.105 N/A VAL 570.A N LEU 401.A O no hydrogen 2.594 N/A VAL 571.A N MET 382.A O no hydrogen 3.034 N/A THR 572.A N VAL 398.A O no hydrogen 2.832 N/A THR 572.A OG1 ASP 380.A O no hydrogen 2.524 N/A ARG 573.A NE ASP 575.A OD1 no hydrogen 2.990 N/A ARG 573.A NH1 ILE 374.A O no hydrogen 2.802 N/A ARG 573.A NH1 ALA 379.A O no hydrogen 2.844 N/A ARG 573.A NH1 ASP 380.A OD1 no hydrogen 3.467 N/A ARG 573.A NH2 ASP 380.A OD1 no hydrogen 3.297 N/A LYS 576.A N ARG 573.A O no hydrogen 2.833 N/A LYS 576.A NZ CYS 332.A O no hydrogen 3.325 N/A GLU 577.A N ARG 573.A O no hydrogen 3.253 N/A GLU 577.A N LYS 574.A O no hydrogen 3.331 N/A VAL 580.A N LYS 576.A O no hydrogen 2.988 N/A VAL 580.A N GLU 577.A O no hydrogen 3.178 N/A HIS 581.A N GLU 577.A O no hydrogen 3.276 N/A LYS 582.A N ALA 578.A O no hydrogen 3.201 N/A ILE 583.A N CYS 579.A O no hydrogen 3.153 N/A ILE 583.A N VAL 580.A O no hydrogen 2.997 N/A LEU 584.A N VAL 580.A O no hydrogen 3.010 N/A ARG 585.A N HIS 581.A O no hydrogen 3.243 N/A GLN 586.A N LYS 582.A O no hydrogen 3.171 N/A GLN 587.A N LEU 584.A O no hydrogen 3.006 N/A GLN 588.A N LEU 584.A O no hydrogen 2.665 N/A GLN 588.A NE2 LEU 611.A O no hydrogen 2.812 N/A HIS 589.A N ARG 585.A O no hydrogen 2.779 N/A PHE 591.A N GLN 587.A O no hydrogen 2.880 N/A SER 593.A OG VAL 609.A O no hydrogen 2.852 N/A SER 597.A OG ASP 606.A OD1 no hydrogen 2.425 N/A SER 597.A OG ASP 606.A OD2 no hydrogen 2.773 N/A ASP 601.A N ASP 606.A OD2 no hydrogen 2.740 N/A LEU 602.A N SER 597.A OG no hydrogen 3.228 N/A LEU 603.A N GLU 344.A OE2 no hydrogen 3.160 N/A ASP 606.A N ASP 601.A OD1 no hydrogen 3.052 N/A THR 608.A OG1 ARG 605.A O no hydrogen 2.907 N/A VAL 609.A N ASN 404.A O no hydrogen 2.727 N/A LEU 611.A N GLN 588.A OE1 no hydrogen 2.658 N/A ALA 612.A N ALA 402.A O no hydrogen 2.859 N/A ARG 617.A N LEU 614.A O no hydrogen 3.048 N/A ARG 617.A NH1 LYS 622.A O no hydrogen 3.549 N/A ASN 618.A ND2 GLU 577.A OE2 no hydrogen 3.205 N/A GLU 621.A N GLU 621.A OE1 no hydrogen 3.270 N/A LYS 622.A NZ ASP 616.A O no hydrogen 2.817 N/A LYS 622.A NZ ASP 616.A OD1 no hydrogen 3.562 N/A TYR 623.A N THR 619.A O no hydrogen 2.965 N/A TYR 623.A OH ASN 567.A O no hydrogen 2.628 N/A LEU 624.A N TYR 620.A O no hydrogen 2.893 N/A GLY 625.A N GLU 621.A O no hydrogen 3.165 N/A TYR 628.A OH THR 440.A OG1 no hydrogen 2.864 N/A VAL 629.A N GLY 625.A O no hydrogen 3.315 N/A LYS 630.A N GLU 626.A O no hydrogen 3.196 N/A ALA 631.A N GLU 627.A O no hydrogen 3.336 N/A VAL 632.A N TYR 628.A O no hydrogen 3.218 N/A GLY 633.A N VAL 629.A O no hydrogen 2.994 N/A ASN 634.A N LYS 630.A O no hydrogen 3.049 N/A LEU 635.A N ALA 631.A O no hydrogen 2.858 N/A ARG 636.A N VAL 632.A O no hydrogen 2.721 N/A ARG 636.A NH2 TYR 390.A OH no hydrogen 3.371 N/A CYS 638.A N LEU 635.A O no hydrogen 3.091 N/A SER 639.A N ARG 636.A O no hydrogen 3.127 N/A SER 641.A OG GLU 368.A OE1 no hydrogen 3.338 N/A SER 641.A OG GLU 368.A OE2 no hydrogen 2.651 N/A LEU 643.A N GLU 368.A OE1 no hydrogen 3.376 N/A LEU 644.A N SER 641.A OG no hydrogen 3.398 N/A GLU 645.A N SER 641.A O no hydrogen 3.270 N/A ALA 646.A N SER 642.A O no hydrogen 3.283 N/A CYS 647.A N LEU 643.A O no hydrogen 2.753 N/A CYS 647.A SG LEU 643.A O no hydrogen 3.579 N/A THR 648.A N LEU 644.A O no hydrogen 2.814 N/A THR 648.A OG1 LEU 644.A O no hydrogen 2.897 N/A THR 648.A OG1 GLU 645.A O no hydrogen 3.344 N/A PHE 649.A N ALA 646.A O no hydrogen 3.139 N/A ARG 650.A N CYS 647.A O no hydrogen 3.316 N/A ARG 650.A NH1 TYR 312.A O no hydrogen 2.746 N/A