Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ffu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 SER 34.A OG no hydrogen 3.189 N/A VAL 4.A N SER 34.A O no hydrogen 2.708 N/A ARG 5.A N ASP 56.A OD2 no hydrogen 2.813 N/A ARG 5.A NE ASP 56.A OD2 no hydrogen 3.048 N/A ARG 5.A NH1 ASN 53.A O no hydrogen 2.870 N/A ARG 5.A NH2 ASN 53.A OD1 no hydrogen 2.982 N/A ARG 5.A NH2 ASP 56.A OD1 no hydrogen 2.765 N/A TRP 6.A N ALA 36.A O no hydrogen 2.648 N/A CYS 7.A N ALA 57.A O no hydrogen 2.986 N/A CYS 7.A SG VAL 38.A O no hydrogen 3.989 N/A ALA 8.A N VAL 38.A O no hydrogen 2.753 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 3.047 N/A GLU 13.A N SER 10.A OG no hydrogen 2.893 N/A ALA 14.A N SER 10.A O no hydrogen 2.904 N/A THR 15.A N GLU 11.A O no hydrogen 2.969 N/A THR 15.A OG1 GLU 11.A O no hydrogen 3.048 N/A LYS 16.A N HIS 12.A O no hydrogen 3.109 N/A LYS 16.A NZ LEU 282.A O no hydrogen 2.589 N/A LYS 16.A NZ SER 284.A O no hydrogen 2.723 N/A LYS 16.A NZ LEU 291.A O no hydrogen 3.037 N/A CYS 17.A N GLU 13.A O no hydrogen 3.027 N/A CYS 17.A SG ALA 36.A O no hydrogen 4.039 N/A GLN 18.A N ALA 14.A O no hydrogen 3.047 N/A SER 19.A N THR 15.A O no hydrogen 3.066 N/A SER 19.A OG HIS 23.A ND1 no hydrogen 3.393 N/A PHE 20.A N LYS 16.A O no hydrogen 2.644 N/A ARG 21.A N CYS 17.A O no hydrogen 2.664 N/A ARG 21.A NH2 ASP 22.A OD1 no hydrogen 2.931 N/A ASP 22.A N GLN 18.A O no hydrogen 3.005 N/A HIS 23.A N SER 19.A O no hydrogen 2.992 N/A HIS 23.A ND1 SER 19.A O no hydrogen 2.981 N/A HIS 23.A NE2 GLU 279.A OE2 no hydrogen 2.623 N/A MET 24.A N PHE 20.A O no hydrogen 3.152 N/A LYS 25.A N ARG 21.A O no hydrogen 3.400 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 2.939 N/A ILE 28.A N MET 24.A O no hydrogen 2.835 N/A ASP 31.A N ASP 31.A OD1 no hydrogen 2.523 N/A GLY 32.A N PRO 29.A O no hydrogen 2.860 N/A SER 34.A N LYS 2.A O no hydrogen 3.085 N/A ALA 36.A N VAL 4.A O no hydrogen 2.853 N/A VAL 38.A N TRP 6.A O no hydrogen 2.761 N/A LYS 40.A N ALA 8.A O no hydrogen 2.799 N/A LYS 40.A NZ GLU 54.A OE2 no hydrogen 3.069 N/A SER 42.A OG ASP 45.A OD2 no hydrogen 3.352 N/A ASP 45.A N SER 42.A OG no hydrogen 2.984 N/A CYS 46.A N SER 42.A O no hydrogen 3.113 N/A CYS 46.A SG ALA 8.A O no hydrogen 3.578 N/A ILE 47.A N TYR 43.A O no hydrogen 2.940 N/A ARG 48.A N LEU 44.A O no hydrogen 3.036 N/A ALA 49.A N ASP 45.A O no hydrogen 2.863 N/A ILE 50.A N CYS 46.A O no hydrogen 2.919 N/A ALA 51.A N ILE 47.A O no hydrogen 3.037 N/A ALA 52.A N ARG 48.A O no hydrogen 2.784 N/A ASN 53.A N ILE 50.A O no hydrogen 3.053 N/A GLU 54.A N ALA 49.A O no hydrogen 2.676 N/A ALA 55.A N ALA 49.A O no hydrogen 3.322 N/A ASP 56.A N ARG 5.A O no hydrogen 2.802 N/A THR 59.A OG1 LEU 292.A O no hydrogen 3.088 N/A LEU 60.A N THR 248.A O no hydrogen 2.824 N/A VAL 65.A N ASP 61.A O no hydrogen 2.931 N/A TYR 66.A N ALA 62.A O no hydrogen 3.044 N/A ASP 67.A N GLY 63.A O no hydrogen 3.120 N/A ALA 68.A N LEU 64.A O no hydrogen 2.756 N/A TYR 69.A N VAL 65.A O no hydrogen 3.258 N/A TYR 69.A N TYR 66.A O no hydrogen 3.126 N/A LEU 70.A N TYR 66.A O no hydrogen 3.375 N/A LEU 70.A N ASP 67.A O no hydrogen 3.272 N/A ASN 73.A N LEU 70.A O no hydrogen 2.867 N/A ASN 73.A ND2 ASP 67.A O no hydrogen 3.305 N/A ASN 74.A N LEU 70.A O no hydrogen 3.241 N/A ASN 74.A ND2 TYR 69.A O no hydrogen 3.553 N/A LEU 75.A N ALA 68.A O no hydrogen 2.639 N/A LYS 76.A N ALA 251.A O no hydrogen 2.666 N/A LYS 76.A NZ SER 253.A O no hydrogen 3.431 N/A VAL 78.A N VAL 249.A O no hydrogen 2.913 N/A VAL 79.A N VAL 249.A O no hydrogen 3.436 N/A ALA 80.A N LEU 301.A O no hydrogen 2.733 N/A GLU 81.A N HIS 247.A O no hydrogen 3.075 N/A PHE 82.A N GLY 299.A O no hydrogen 2.944 N/A TYR 83.A N GLN 90.A O no hydrogen 3.004 N/A SER 85.A N TYR 83.A O no hydrogen 3.086 N/A ASP 88.A N SER 85.A OG no hydrogen 2.703 N/A GLN 90.A N TYR 83.A O no hydrogen 2.925 N/A TYR 93.A N VAL 244.A O no hydrogen 2.864 N/A TYR 94.A N HIS 205.A ND1 no hydrogen 3.364 N/A ALA 95.A N ALA 242.A O no hydrogen 2.965 N/A VAL 96.A N VAL 203.A O no hydrogen 2.821 N/A VAL 98.A N ALA 201.A O no hydrogen 3.009 N/A VAL 99.A N GLU 222.A O no hydrogen 2.858 N/A LYS 100.A NZ LEU 193.A O no hydrogen 3.330 N/A LYS 100.A NZ LYS 194.A O no hydrogen 2.615 N/A LYS 101.A N GLN 220.A O no hydrogen 2.758 N/A LYS 101.A NZ ASP 102.A OD2 no hydrogen 2.689 N/A SER 103.A N LYS 100.A O no hydrogen 3.295 N/A SER 103.A OG LYS 100.A O no hydrogen 2.636 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 2.851 N/A ASN 108.A N ASN 228.A OD1 no hydrogen 3.141 N/A GLN 109.A N GLN 106.A O no hydrogen 2.816 N/A GLY 112.A N PHE 151.A O no hydrogen 2.813 N/A LYS 113.A N LEU 110.A O no hydrogen 2.998 N/A LYS 113.A NZ GLN 109.A O no hydrogen 2.801 N/A LYS 114.A N ASP 199.A OD2 no hydrogen 2.764 N/A LYS 114.A NZ ALA 197.A O no hydrogen 2.819 N/A SER 115.A N GLY 154.A O no hydrogen 3.136 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.650 N/A SER 115.A OG SER 155.A OG no hydrogen 3.074 N/A CYS 116.A N VAL 200.A O no hydrogen 2.773 N/A HIS 117.A N CYS 156.A O no hydrogen 2.949 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.766 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.650 N/A LEU 120.A N PRO 158.A O no hydrogen 2.698 N/A ARG 122.A N GLY 119.A O no hydrogen 3.262 N/A ASN 127.A N ARG 122.A O no hydrogen 2.721 N/A ASN 127.A ND2 GLY 121.A O no hydrogen 3.039 N/A ILE 128.A N SER 123.A O no hydrogen 2.987 N/A ILE 130.A N TRP 126.A O no hydrogen 2.853 N/A GLY 131.A N ASN 127.A O no hydrogen 2.914 N/A LEU 132.A N ILE 128.A O no hydrogen 2.849 N/A LEU 133.A N PRO 129.A O no hydrogen 2.921 N/A TYR 134.A N GLY 131.A O no hydrogen 3.381 N/A CYS 135.A SG THR 328.A O no hydrogen 3.845 N/A LEU 137.A N TYR 134.A O no hydrogen 2.952 N/A ARG 141.A NE LEU 137.A O no hydrogen 3.113 N/A ARG 141.A NH2 CYS 135.A O no hydrogen 3.361 N/A ALA 147.A N PRO 143.A O no hydrogen 3.217 N/A VAL 148.A N LEU 144.A O no hydrogen 2.893 N/A ALA 149.A N GLU 145.A O no hydrogen 2.868 N/A ASN 150.A N LYS 146.A O no hydrogen 3.134 N/A ASN 150.A N ALA 147.A O no hydrogen 3.255 N/A PHE 151.A N VAL 148.A O no hydrogen 2.980 N/A PHE 152.A N VAL 148.A O no hydrogen 3.173 N/A SER 153.A N LYS 113.A O no hydrogen 3.077 N/A SER 153.A OG GLY 112.A O no hydrogen 2.817 N/A SER 153.A OG LYS 113.A O no hydrogen 3.476 N/A SER 155.A N GLN 167.A O no hydrogen 2.916 N/A SER 155.A OG SER 115.A OG no hydrogen 3.074 N/A CYS 156.A N SER 115.A O no hydrogen 2.967 N/A ALA 157.A N LEU 168.A O no hydrogen 2.852 N/A CYS 159.A N CYS 175.A O no hydrogen 2.872 N/A ALA 160.A N ALA 157.A O no hydrogen 3.016 N/A ASP 161.A N GLU 145.A OE2 no hydrogen 2.702 N/A GLY 162.A N ALA 160.A O no hydrogen 3.035 N/A ASP 164.A N ASP 161.A OD1 no hydrogen 3.045 N/A PHE 165.A N ASP 161.A O no hydrogen 2.924 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.606 N/A LEU 168.A N PHE 165.A O no hydrogen 3.052 N/A CYS 169.A N PRO 166.A O no hydrogen 2.942 N/A GLN 170.A N GLN 167.A O no hydrogen 3.211 N/A LEU 171.A N SER 155.A O no hydrogen 3.087 N/A CYS 172.A N CYS 169.A O no hydrogen 3.076 N/A CYS 175.A N CYS 172.A O no hydrogen 2.832 N/A CYS 175.A SG ALA 157.A O no hydrogen 3.056 N/A CYS 175.A SG LEU 168.A O no hydrogen 3.256 N/A ASN 181.A N SER 178.A O no hydrogen 2.919 N/A ASN 181.A ND2 GLY 176.A O no hydrogen 2.993 N/A TYR 183.A N ASN 181.A OD1 no hydrogen 2.994 N/A TYR 183.A OH ASP 195.A OD2 no hydrogen 3.279 N/A PHE 184.A N ASN 181.A O no hydrogen 3.168 N/A GLY 185.A N THR 118.A O no hydrogen 2.893 N/A ALA 189.A N GLY 185.A O no hydrogen 3.001 N/A LYS 191.A N SER 187.A O no hydrogen 2.685 N/A LYS 191.A NZ GLN 182.A OE1 no hydrogen 2.872 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 2.813 N/A CYS 192.A N GLY 188.A O no hydrogen 2.865 N/A LEU 193.A N ALA 189.A O no hydrogen 3.330 N/A LEU 193.A N PHE 190.A O no hydrogen 2.951 N/A LYS 194.A N PHE 190.A O no hydrogen 2.774 N/A LYS 194.A NZ ASP 195.A OD1 no hydrogen 3.388 N/A ASP 195.A N LYS 191.A O no hydrogen 2.875 N/A GLY 196.A N LEU 193.A O no hydrogen 3.152 N/A GLY 198.A N CYS 192.A O no hydrogen 3.002 N/A ASP 199.A N LYS 114.A O no hydrogen 2.664 N/A VAL 200.A N LYS 114.A O no hydrogen 3.265 N/A ALA 201.A N VAL 98.A O no hydrogen 3.042 N/A PHE 202.A N CYS 116.A O no hydrogen 3.017 N/A VAL 203.A N VAL 96.A O no hydrogen 3.087 N/A HIS 205.A N TYR 94.A O no hydrogen 2.734 N/A THR 207.A N LYS 204.A O no hydrogen 3.053 N/A THR 207.A OG1 LYS 204.A O no hydrogen 2.815 N/A GLU 210.A N SER 206.A O no hydrogen 3.101 N/A GLU 210.A N THR 207.A O no hydrogen 3.174 N/A ASN 211.A N THR 207.A O no hydrogen 3.134 N/A ASN 211.A ND2 THR 207.A O no hydrogen 2.796 N/A LYS 215.A NZ ASP 219.A OD1 no hydrogen 3.232 N/A LYS 215.A NZ ASP 219.A OD2 no hydrogen 2.752 N/A ASP 217.A N ASN 214.A O no hydrogen 3.128 N/A ARG 218.A NH1 LEU 212.A O no hydrogen 3.035 N/A ARG 218.A NH1 ALA 213.A O no hydrogen 3.245 N/A ASP 219.A N LYS 215.A O no hydrogen 2.851 N/A GLN 220.A N ASP 217.A O no hydrogen 3.092 N/A TYR 221.A N ARG 218.A O no hydrogen 3.013 N/A GLU 222.A N VAL 99.A O no hydrogen 2.818 N/A LEU 223.A N LYS 231.A O no hydrogen 2.881 N/A LEU 224.A N ALA 97.A O no hydrogen 2.888 N/A CYS 225.A N THR 229.A O no hydrogen 2.845 N/A CYS 225.A SG THR 229.A O no hydrogen 3.222 N/A CYS 225.A SG THR 229.A OG1 no hydrogen 3.677 N/A ASN 228.A N CYS 225.A O no hydrogen 3.007 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.999 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.556 N/A THR 229.A OG1 ASP 227.A OD2 no hydrogen 3.363 N/A ARG 230.A NE PHE 105.A O no hydrogen 2.896 N/A ARG 230.A NH1 LYS 100.A O no hydrogen 3.042 N/A ARG 230.A NH1 SER 103.A OG no hydrogen 3.141 N/A ARG 230.A NH1 GLU 222.A OE2 no hydrogen 2.872 N/A ARG 230.A NH2 SER 103.A OG no hydrogen 2.890 N/A ARG 230.A NH2 PHE 105.A O no hydrogen 2.704 N/A LYS 231.A N LEU 223.A O no hydrogen 3.263 N/A GLU 235.A N PRO 232.A O no hydrogen 3.072 N/A ASP 238.A N GLU 235.A O no hydrogen 3.064 N/A CYS 239.A N TYR 236.A O no hydrogen 3.233 N/A CYS 239.A SG LEU 223.A O no hydrogen 3.636 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 2.589 N/A LEU 241.A N ALA 95.A O no hydrogen 2.641 N/A ALA 242.A N ALA 95.A O no hydrogen 3.420 N/A GLN 243.A NE2 ARG 647.A O no hydrogen 2.973 N/A VAL 244.A N TYR 93.A O no hydrogen 2.880 N/A SER 246.A N THR 91.A O no hydrogen 3.169 N/A SER 246.A OG THR 91.A O no hydrogen 3.178 N/A HIS 247.A ND1 GLU 81.A OE1 no hydrogen 3.299 N/A THR 248.A N LEU 60.A O no hydrogen 2.967 N/A VAL 249.A N VAL 79.A O no hydrogen 2.779 N/A VAL 250.A N VAL 58.A O no hydrogen 2.930 N/A ALA 251.A N LYS 76.A O no hydrogen 2.873 N/A ARG 252.A NH1 ILE 50.A O no hydrogen 2.973 N/A ARG 252.A NH1 ALA 55.A O no hydrogen 2.919 N/A ARG 252.A NH1 ASP 56.A OD1 no hydrogen 3.541 N/A ARG 252.A NH2 ASP 56.A OD1 no hydrogen 3.097 N/A ARG 252.A NH2 GLY 255.A O no hydrogen 2.974 N/A SER 253.A N ASN 74.A O no hydrogen 3.310 N/A SER 253.A OG ASN 74.A O no hydrogen 2.852 N/A LYS 257.A NZ THR 3.A O no hydrogen 2.771 N/A LYS 257.A NZ ASP 56.A OD1 no hydrogen 3.349 N/A LYS 257.A NZ ASP 56.A OD2 no hydrogen 2.853 N/A ILE 261.A N LYS 257.A O no hydrogen 2.913 N/A TRP 262.A N GLU 258.A O no hydrogen 2.968 N/A GLU 263.A N ASP 259.A O no hydrogen 3.171 N/A LEU 264.A N LEU 260.A O no hydrogen 2.907 N/A LEU 265.A N ILE 261.A O no hydrogen 2.967 N/A ASN 266.A N TRP 262.A O no hydrogen 2.710 N/A GLN 267.A N GLU 263.A O no hydrogen 3.167 N/A ALA 268.A N LEU 264.A O no hydrogen 2.889 N/A GLN 269.A N LEU 265.A O no hydrogen 2.911 N/A GLN 269.A NE2 ASN 266.A OD1 no hydrogen 2.976 N/A GLN 269.A NE2 PHE 300.A O no hydrogen 3.407 N/A GLU 270.A N ASN 266.A O no hydrogen 3.233 N/A HIS 271.A N GLN 267.A O no hydrogen 3.215 N/A PHE 272.A N ALA 268.A O no hydrogen 2.687 N/A GLY 273.A N GLN 269.A O no hydrogen 2.977 N/A LYS 274.A NZ ALA 297.A O no hydrogen 2.877 N/A LYS 276.A N GLY 273.A O no hydrogen 3.203 N/A LYS 278.A NZ HIS 271.A O no hydrogen 2.683 N/A LEU 282.A N PHE 272.A O no hydrogen 2.947 N/A ASP 290.A N ASP 295.A OD2 no hydrogen 2.922 N/A LEU 292.A N GLU 13.A OE2 no hydrogen 2.732 N/A PHE 293.A N LEU 291.A O no hydrogen 2.683 N/A LYS 294.A N GLU 81.A OE1 no hydrogen 3.306 N/A LYS 294.A N GLU 81.A OE2 no hydrogen 3.190 N/A ASP 295.A N ASP 290.A OD1 no hydrogen 2.714 N/A ALA 297.A N LYS 294.A O no hydrogen 2.922 N/A HIS 298.A N PHE 82.A O no hydrogen 2.894 N/A PHE 300.A N GLN 269.A OE1 no hydrogen 2.826 N/A LEU 301.A N ALA 80.A O no hydrogen 2.723 N/A VAL 303.A N VAL 78.A O no hydrogen 2.935 N/A ARG 306.A NH1 ARG 306.A O no hydrogen 3.073 N/A MET 307.A N PRO 304.A O no hydrogen 3.206 N/A LYS 310.A NZ GLU 377.A OE1 no hydrogen 3.313 N/A MET 311.A N ASP 308.A OD1 no hydrogen 3.237 N/A TYR 312.A N ASP 308.A O no hydrogen 2.877 N/A LEU 313.A N ALA 309.A O no hydrogen 2.755 N/A GLY 314.A N LYS 310.A O no hydrogen 2.859 N/A TYR 315.A OH ASP 574.A OD2 no hydrogen 3.154 N/A GLU 316.A N GLU 316.A OE1 no hydrogen 2.734 N/A VAL 318.A N GLY 314.A O no hydrogen 3.114 N/A THR 319.A N TYR 315.A O no hydrogen 3.060 N/A THR 319.A OG1 TYR 315.A O no hydrogen 2.639 N/A ALA 320.A N GLU 316.A O no hydrogen 3.097 N/A ILE 321.A N TYR 317.A O no hydrogen 3.039 N/A ARG 322.A N VAL 318.A O no hydrogen 2.961 N/A ASN 323.A N THR 319.A O no hydrogen 2.976 N/A ASN 323.A ND2 GLY 131.A O no hydrogen 2.930 N/A LEU 324.A N ALA 320.A O no hydrogen 3.163 N/A ARG 325.A N ILE 321.A O no hydrogen 2.782 N/A ARG 325.A NH2 ASP 67.A OD2 no hydrogen 2.286 N/A GLU 326.A N ARG 322.A O no hydrogen 2.855 N/A GLY 327.A N ASN 323.A O no hydrogen 2.764 N/A VAL 334.A N LYS 357.A O no hydrogen 3.226 N/A LYS 335.A N ASP 379.A OD2 no hydrogen 2.987 N/A LYS 335.A NZ ASP 379.A OD2 no hydrogen 3.522 N/A TRP 336.A N GLU 359.A O no hydrogen 2.653 N/A CYS 337.A N ALA 380.A O no hydrogen 3.229 N/A CYS 337.A SG VAL 361.A O no hydrogen 4.011 N/A ALA 338.A N VAL 361.A O no hydrogen 2.804 N/A LEU 339.A N GLU 343.A OE1 no hydrogen 2.838 N/A ARG 344.A N SER 340.A O no hydrogen 2.766 N/A ARG 344.A NE ASP 348.A OD1 no hydrogen 2.693 N/A ARG 344.A NH2 SER 362.A OG no hydrogen 2.844 N/A LEU 345.A N HIS 341.A O no hydrogen 2.931 N/A LYS 346.A N HIS 342.A O no hydrogen 3.292 N/A LYS 346.A NZ LEU 599.A O no hydrogen 2.767 N/A CYS 347.A N GLU 343.A O no hydrogen 3.173 N/A CYS 347.A SG GLU 359.A O no hydrogen 4.026 N/A ASP 348.A N ARG 344.A O no hydrogen 2.837 N/A GLU 349.A N LEU 345.A O no hydrogen 3.179 N/A TRP 350.A N LYS 346.A O no hydrogen 2.981 N/A SER 351.A N CYS 347.A O no hydrogen 2.654 N/A SER 351.A OG ILE 358.A O no hydrogen 2.522 N/A VAL 352.A N ASP 348.A O no hydrogen 3.030 N/A ASN 353.A N GLU 349.A O no hydrogen 3.182 N/A SER 354.A N TRP 350.A O no hydrogen 2.867 N/A LYS 357.A N SER 354.A O no hydrogen 3.224 N/A GLU 359.A N VAL 334.A O no hydrogen 2.861 N/A CYS 360.A SG ASP 348.A OD1 no hydrogen 3.871 N/A VAL 361.A N TRP 336.A O no hydrogen 2.760 N/A ALA 363.A N ALA 338.A O no hydrogen 2.968 N/A ASP 368.A N THR 365.A OG1 no hydrogen 3.262 N/A CYS 369.A N THR 365.A O no hydrogen 3.240 N/A CYS 369.A SG ALA 338.A O no hydrogen 3.630 N/A ILE 370.A N THR 366.A O no hydrogen 2.931 N/A ALA 371.A N GLU 367.A O no hydrogen 2.931 N/A LYS 372.A N ASP 368.A O no hydrogen 3.040 N/A LYS 372.A NZ SER 362.A O no hydrogen 3.456 N/A LYS 372.A NZ GLU 377.A OE2 no hydrogen 3.417 N/A ILE 373.A N CYS 369.A O no hydrogen 2.876 N/A MET 374.A N ILE 370.A O no hydrogen 2.895 N/A ASN 375.A N ALA 371.A O no hydrogen 3.132 N/A GLU 377.A N ASN 375.A OD1 no hydrogen 2.999 N/A ALA 378.A N LYS 372.A O no hydrogen 2.792 N/A ASP 379.A N LYS 335.A O no hydrogen 2.796 N/A SER 382.A OG GLU 402.A OE1 no hydrogen 3.032 N/A LEU 383.A N ALA 568.A O no hydrogen 2.714 N/A GLY 386.A N ASP 384.A OD2 no hydrogen 2.892 N/A PHE 387.A N ASP 384.A O no hydrogen 2.781 N/A VAL 388.A N ASP 384.A O no hydrogen 2.940 N/A TYR 389.A N GLY 385.A O no hydrogen 2.955 N/A ALA 391.A N PHE 387.A O no hydrogen 2.668 N/A GLY 392.A N VAL 388.A O no hydrogen 2.653 N/A LYS 393.A N TYR 389.A O no hydrogen 2.944 N/A LYS 393.A NZ TYR 617.A OH no hydrogen 2.699 N/A CYS 394.A N ILE 390.A O no hydrogen 3.105 N/A CYS 394.A N ALA 391.A O no hydrogen 3.216 N/A CYS 394.A SG ILE 390.A O no hydrogen 3.173 N/A GLY 395.A N GLY 392.A O no hydrogen 2.746 N/A LEU 396.A N ALA 391.A O no hydrogen 2.821 N/A VAL 397.A N THR 571.A O no hydrogen 2.905 N/A VAL 399.A N VAL 569.A O no hydrogen 2.848 N/A ALA 401.A N ALA 609.A O no hydrogen 3.023 N/A GLU 402.A N HIS 567.A O no hydrogen 2.741 N/A ASN 403.A N CYS 607.A O no hydrogen 3.008 N/A PHE 409.A N HIS 517.A ND1 no hydrogen 3.005 N/A ALA 410.A N ALA 562.A O no hydrogen 2.973 N/A VAL 411.A N VAL 515.A O no hydrogen 3.030 N/A VAL 413.A N ALA 513.A O no hydrogen 2.679 N/A VAL 414.A N GLU 542.A O no hydrogen 2.890 N/A LYS 416.A N ASP 540.A O no hydrogen 2.705 N/A ALA 418.A N LYS 415.A O no hydrogen 2.958 N/A SER 419.A N SER 417.A O no hydrogen 2.871 N/A LYS 427.A N ASN 425.A OD1 no hydrogen 3.176 N/A GLY 428.A N PHE 461.A O no hydrogen 2.945 N/A LYS 429.A N LEU 426.A O no hydrogen 3.066 N/A LYS 430.A N ASP 511.A OD2 no hydrogen 3.008 N/A LYS 430.A NZ GLU 464.A OE2 no hydrogen 3.538 N/A SER 431.A N GLU 464.A O no hydrogen 3.134 N/A SER 431.A OG HIS 433.A NE2 no hydrogen 3.109 N/A CYS 432.A N VAL 512.A O no hydrogen 2.817 N/A HIS 433.A N CYS 466.A O no hydrogen 2.839 N/A HIS 433.A ND1 GLY 441.A O no hydrogen 2.760 N/A HIS 433.A NE2 SER 431.A OG no hydrogen 3.109 N/A VAL 436.A N PRO 468.A O no hydrogen 2.850 N/A ARG 438.A N ALA 435.A O no hydrogen 3.438 N/A ARG 438.A NH1 TYR 497.A OH no hydrogen 2.699 N/A ARG 438.A NH2 TYR 497.A OH no hydrogen 3.301 N/A THR 439.A N ASP 384.A OD2 no hydrogen 2.986 N/A THR 439.A OG1 ASP 384.A OD1 no hydrogen 3.165 N/A THR 439.A OG1 ASP 384.A OD2 no hydrogen 3.244 N/A THR 439.A OG1 TYR 625.A OH no hydrogen 2.722 N/A TRP 442.A N ARG 438.A O no hydrogen 2.970 N/A ASN 443.A N ARG 438.A O no hydrogen 2.790 N/A ASN 443.A ND2 GLY 437.A O no hydrogen 3.015 N/A ASN 443.A ND2 TYR 625.A OH no hydrogen 3.036 N/A ILE 444.A N THR 439.A O no hydrogen 3.052 N/A MET 446.A N TRP 442.A O no hydrogen 2.853 N/A GLY 447.A N ASN 443.A O no hydrogen 3.151 N/A LEU 448.A N ILE 444.A O no hydrogen 3.177 N/A LEU 449.A N PRO 445.A O no hydrogen 2.999 N/A TYR 450.A N MET 446.A O no hydrogen 2.757 N/A ASN 451.A N LEU 448.A O no hydrogen 3.026 N/A LYS 452.A N LEU 449.A O no hydrogen 3.123 N/A LYS 452.A NZ TRP 423.A O no hydrogen 3.277 N/A ASN 454.A N TYR 450.A O no hydrogen 2.650 N/A ARG 457.A N HIS 455.A ND1 no hydrogen 3.074 N/A ARG 457.A NE GLU 460.A OE2 no hydrogen 3.021 N/A GLU 460.A N ARG 457.A O no hydrogen 2.972 N/A PHE 461.A N PHE 458.A O no hydrogen 3.196 N/A PHE 462.A N PHE 458.A O no hydrogen 2.954 N/A SER 463.A N LYS 429.A O no hydrogen 3.048 N/A SER 463.A OG GLY 428.A O no hydrogen 3.022 N/A SER 463.A OG LYS 429.A O no hydrogen 3.092 N/A GLY 465.A N SER 475.A O no hydrogen 2.991 N/A CYS 466.A N SER 431.A O no hydrogen 2.977 N/A ALA 467.A N LEU 476.A O no hydrogen 2.703 N/A GLY 469.A N CYS 488.A O no hydrogen 2.940 N/A SER 470.A N ALA 467.A O no hydrogen 3.095 N/A SER 470.A OG ALA 467.A O no hydrogen 2.536 N/A LYS 472.A NZ LEU 485.A O no hydrogen 3.486 N/A LYS 472.A NZ GLU 489.A OE1 no hydrogen 3.241 N/A SER 474.A N LYS 471.A O no hydrogen 2.666 N/A SER 474.A OG ASP 459.A OD2 no hydrogen 3.237 N/A SER 475.A OG ASP 459.A O no hydrogen 3.347 N/A SER 475.A OG SER 463.A O no hydrogen 2.831 N/A LEU 476.A N SER 474.A OG no hydrogen 3.146 N/A CYS 477.A N SER 474.A O no hydrogen 3.029 N/A CYS 477.A SG SER 470.A O no hydrogen 3.423 N/A CYS 477.A SG LYS 471.A O no hydrogen 3.575 N/A LYS 478.A N SER 475.A O no hydrogen 3.519 N/A LEU 479.A N GLY 465.A O no hydrogen 3.080 N/A CYS 480.A N CYS 477.A O no hydrogen 3.174 N/A MET 481.A N GLU 494.A OE2 no hydrogen 2.890 N/A GLY 482.A N GLU 494.A OE1 no hydrogen 2.743 N/A ASN 486.A N SER 483.A O no hydrogen 3.100 N/A ASN 486.A ND2 SER 483.A O no hydrogen 3.305 N/A LEU 487.A N GLY 484.A O no hydrogen 3.435 N/A CYS 488.A N GLU 494.A OE1 no hydrogen 2.918 N/A CYS 488.A SG ALA 467.A O no hydrogen 3.724 N/A CYS 488.A SG SER 470.A O no hydrogen 4.004 N/A CYS 488.A SG LEU 476.A O no hydrogen 4.046 N/A GLU 489.A N ASN 486.A O no hydrogen 2.892 N/A LYS 493.A N ASN 491.A OD1 no hydrogen 2.719 N/A GLU 494.A N ASN 491.A O no hydrogen 3.302 N/A TYR 496.A N GLU 494.A OE2 no hydrogen 3.027 N/A TYR 496.A OH GLU 508.A OE2 no hydrogen 2.389 N/A TYR 497.A N GLU 494.A O no hydrogen 2.974 N/A GLY 498.A N THR 434.A O no hydrogen 3.164 N/A TYR 499.A OH TYR 408.A OH no hydrogen 2.912 N/A TYR 499.A OH HIS 567.A NE2 no hydrogen 3.204 N/A ALA 502.A N GLY 498.A O no hydrogen 2.986 N/A PHE 503.A N TYR 499.A O no hydrogen 3.279 N/A ARG 504.A N THR 500.A O no hydrogen 2.792 N/A ARG 504.A NE GLU 508.A OE1 no hydrogen 2.859 N/A ARG 504.A NE GLU 508.A OE2 no hydrogen 3.057 N/A ARG 504.A NH2 GLU 508.A OE1 no hydrogen 3.211 N/A CYS 505.A N GLY 501.A O no hydrogen 2.931 N/A LEU 506.A N ALA 502.A O no hydrogen 3.133 N/A VAL 507.A N PHE 503.A O no hydrogen 2.896 N/A GLU 508.A N ARG 504.A O no hydrogen 2.936 N/A LYS 509.A N CYS 505.A O no hydrogen 2.796 N/A LYS 509.A NZ LEU 479.A O no hydrogen 3.104 N/A GLY 510.A N CYS 505.A O no hydrogen 2.746 N/A ASP 511.A N LYS 430.A O no hydrogen 2.754 N/A VAL 512.A N LYS 430.A O no hydrogen 3.070 N/A ALA 513.A N VAL 413.A O no hydrogen 2.828 N/A PHE 514.A N CYS 432.A O no hydrogen 3.013 N/A VAL 515.A N VAL 411.A O no hydrogen 3.093 N/A HIS 517.A N PHE 409.A O no hydrogen 2.940 N/A GLN 518.A N GLN 518.A OE1 no hydrogen 2.827 N/A THR 519.A N LYS 516.A O no hydrogen 3.022 N/A THR 519.A OG1 LYS 516.A O no hydrogen 3.387 N/A GLN 522.A N GLN 518.A O no hydrogen 3.184 N/A ASN 523.A N VAL 520.A O no hydrogen 3.141 N/A ASN 523.A ND2 THR 519.A O no hydrogen 2.890 N/A THR 524.A OG1 VAL 520.A O no hydrogen 2.779 N/A GLY 525.A N LEU 536.A O no hydrogen 2.786 N/A LYS 527.A N THR 524.A O no hydrogen 3.178 N/A LYS 527.A NZ PRO 521.A O no hydrogen 2.848 N/A LYS 527.A NZ THR 524.A O no hydrogen 3.295 N/A ASN 528.A ND2 ASN 523.A OD1 no hydrogen 2.671 N/A ASP 530.A N ASN 528.A OD1 no hydrogen 3.040 N/A ALA 533.A N ASP 530.A O no hydrogen 2.888 N/A LYS 534.A N ASP 530.A O no hydrogen 2.841 N/A LEU 536.A N ALA 533.A O no hydrogen 3.107 N/A ASP 540.A N ASN 537.A O no hydrogen 3.153 N/A TYR 541.A N GLU 538.A O no hydrogen 3.367 N/A GLU 542.A N VAL 414.A O no hydrogen 2.875 N/A LEU 543.A N LYS 551.A O no hydrogen 2.929 N/A LEU 544.A N ALA 412.A O no hydrogen 2.821 N/A CYS 545.A N THR 549.A O no hydrogen 2.849 N/A CYS 545.A SG THR 549.A O no hydrogen 3.264 N/A CYS 545.A SG THR 549.A OG1 no hydrogen 3.489 N/A GLY 548.A N CYS 545.A O no hydrogen 3.075 N/A ARG 550.A NE GLU 542.A OE2 no hydrogen 2.841 N/A ARG 550.A NH1 LEU 421.A O no hydrogen 2.618 N/A ARG 550.A NH2 LYS 415.A O no hydrogen 3.272 N/A ARG 550.A NH2 GLU 542.A OE2 no hydrogen 2.617 N/A LYS 551.A N LEU 543.A O no hydrogen 3.258 N/A GLU 555.A N PRO 552.A O no hydrogen 3.174 N/A ASN 558.A N GLU 555.A O no hydrogen 3.370 N/A CYS 559.A N TYR 556.A O no hydrogen 3.237 N/A CYS 559.A SG LEU 543.A O no hydrogen 3.424 N/A LEU 561.A N ALA 410.A O no hydrogen 2.650 N/A ALA 564.A N TYR 408.A O no hydrogen 2.478 N/A HIS 567.A NE2 TYR 499.A OH no hydrogen 3.204 N/A ALA 568.A N LEU 383.A O no hydrogen 2.959 N/A VAL 569.A N LEU 400.A O no hydrogen 2.726 N/A VAL 570.A N MET 381.A O no hydrogen 2.947 N/A THR 571.A N VAL 397.A O no hydrogen 2.951 N/A THR 571.A OG1 ASP 379.A O no hydrogen 2.909 N/A ARG 572.A NE ASP 574.A OD1 no hydrogen 3.399 N/A ARG 572.A NH1 ILE 373.A O no hydrogen 2.790 N/A ARG 572.A NH1 ALA 378.A O no hydrogen 2.821 N/A ARG 572.A NH1 ASP 379.A OD1 no hydrogen 3.525 N/A ARG 572.A NH2 ASP 379.A OD1 no hydrogen 3.030 N/A LYS 573.A NZ GLU 576.A OE1 no hydrogen 2.513 N/A LYS 575.A N ARG 572.A O no hydrogen 3.080 N/A LYS 575.A NZ ASP 379.A OD2 no hydrogen 2.913 N/A GLU 576.A N LYS 573.A O no hydrogen 3.379 N/A VAL 579.A N LYS 575.A O no hydrogen 2.867 N/A HIS 580.A N GLU 576.A O no hydrogen 2.929 N/A LYS 581.A N CYS 578.A O no hydrogen 3.063 N/A ILE 582.A N CYS 578.A O no hydrogen 3.001 N/A LEU 583.A N VAL 579.A O no hydrogen 3.147 N/A ARG 584.A N HIS 580.A O no hydrogen 3.314 N/A GLN 585.A N LYS 581.A O no hydrogen 3.055 N/A GLN 586.A N ILE 582.A O no hydrogen 2.978 N/A GLN 586.A NE2 ILE 582.A O no hydrogen 2.342 N/A GLN 587.A N LEU 583.A O no hydrogen 3.108 N/A GLN 587.A NE2 LEU 608.A O no hydrogen 2.990 N/A HIS 588.A N ARG 584.A O no hydrogen 3.280 N/A LEU 589.A N GLN 586.A O no hydrogen 3.277 N/A PHE 590.A N GLN 586.A O no hydrogen 2.811 N/A SER 594.A OG ASP 603.A OD1 no hydrogen 2.586 N/A SER 594.A OG ASP 603.A OD2 no hydrogen 2.871 N/A ASP 598.A N ASP 603.A OD1 no hydrogen 2.931 N/A LEU 600.A N GLU 343.A OE2 no hydrogen 2.826 N/A PHE 601.A N LEU 599.A O no hydrogen 2.765 N/A ARG 602.A N GLU 402.A OE1 no hydrogen 3.209 N/A ASP 603.A N ASP 598.A OD2 no hydrogen 2.875 N/A THR 605.A N ARG 602.A O no hydrogen 3.325 N/A THR 605.A OG1 ARG 602.A O no hydrogen 2.927 N/A VAL 606.A N ASN 403.A O no hydrogen 2.689 N/A LEU 608.A N GLN 587.A OE1 no hydrogen 2.976 N/A ALA 609.A N ALA 401.A O no hydrogen 2.819 N/A ARG 614.A N LEU 611.A O no hydrogen 2.902 N/A ASN 615.A N ASP 613.A O no hydrogen 2.698 N/A TYR 620.A N THR 616.A O no hydrogen 2.564 N/A TYR 620.A OH ASN 566.A O no hydrogen 2.507 N/A LEU 621.A N TYR 617.A O no hydrogen 2.972 N/A GLY 622.A N GLU 618.A O no hydrogen 3.151 N/A TYR 625.A OH THR 439.A OG1 no hydrogen 2.722 N/A VAL 626.A N GLY 622.A O no hydrogen 3.064 N/A LYS 627.A N GLU 623.A O no hydrogen 3.076 N/A ALA 628.A N GLU 624.A O no hydrogen 3.048 N/A VAL 629.A N TYR 625.A O no hydrogen 3.029 N/A GLY 630.A N VAL 626.A O no hydrogen 2.909 N/A ASN 631.A N LYS 627.A O no hydrogen 3.057 N/A LEU 632.A N ALA 628.A O no hydrogen 3.042 N/A LEU 632.A N VAL 629.A O no hydrogen 2.913 N/A ARG 633.A N VAL 629.A O no hydrogen 2.888 N/A ARG 633.A NH1 TYR 389.A OH no hydrogen 3.524 N/A ARG 633.A NH2 THR 645.A OG1 no hydrogen 3.015 N/A LYS 634.A NZ TYR 450.A OH no hydrogen 2.856 N/A LYS 634.A NZ ASN 631.A OD1 no hydrogen 3.213 N/A CYS 635.A N LEU 632.A O no hydrogen 3.070 N/A SER 636.A N ARG 633.A O no hydrogen 3.000 N/A SER 638.A N SER 636.A OG no hydrogen 3.252 N/A SER 638.A OG GLU 367.A OE2 no hydrogen 2.700 N/A LEU 640.A N GLU 367.A OE1 no hydrogen 3.289 N/A GLU 642.A N SER 638.A O no hydrogen 2.980 N/A ALA 643.A N SER 639.A O no hydrogen 3.032 N/A CYS 644.A N LEU 640.A O no hydrogen 2.943 N/A CYS 644.A SG LEU 640.A O no hydrogen 3.367 N/A THR 645.A N LEU 641.A O no hydrogen 2.810 N/A THR 645.A OG1 LEU 641.A O no hydrogen 2.690 N/A PHE 646.A N GLU 642.A O no hydrogen 3.066 N/A PHE 646.A N ALA 643.A O no hydrogen 3.212 N/A ARG 647.A N CYS 644.A O no hydrogen 3.217 N/A ARG 647.A NH1 TYR 312.A O no hydrogen 2.711 N/A ARG 648.A N CYS 644.A O no hydrogen 2.967 N/A ARG 648.A NH1 ASP 238.A OD2 no hydrogen 3.011 N/A ARG 648.A NH2 ASP 238.A OD2 no hydrogen 2.932 N/A