Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG CYS 58.A O no hydrogen 2.946 N/A ARG 6.A N GLU 2.A O no hydrogen 3.240 N/A ARG 6.A NE GLU 2.A OE2 no hydrogen 2.956 N/A ARG 6.A NH1 ASP 239.A OD2 no hydrogen 3.116 N/A PHE 7.A N VAL 3.A O no hydrogen 3.007 N/A LYS 8.A N ALA 4.A O no hydrogen 2.863 N/A ASP 9.A N HIS 5.A O no hydrogen 3.286 N/A LEU 10.A N ARG 6.A O no hydrogen 2.940 N/A GLY 11.A N PHE 7.A O no hydrogen 2.889 N/A ASN 14.A ND2 LEU 10.A O no hydrogen 3.123 N/A PHE 15.A N GLY 11.A O no hydrogen 3.033 N/A LYS 16.A N GLU 12.A O no hydrogen 2.863 N/A LYS 16.A NZ ASN 40.A OD1 no hydrogen 3.410 N/A ALA 17.A N GLU 13.A O no hydrogen 3.103 N/A LEU 18.A N ASN 14.A O no hydrogen 2.689 N/A VAL 19.A N PHE 15.A O no hydrogen 3.067 N/A LEU 20.A N LYS 16.A O no hydrogen 2.988 N/A ILE 21.A N ALA 17.A O no hydrogen 2.879 N/A ALA 22.A N LEU 18.A O no hydrogen 2.864 N/A PHE 23.A N VAL 19.A O no hydrogen 3.098 N/A ALA 24.A N LEU 20.A O no hydrogen 3.098 N/A GLN 25.A N ILE 21.A O no hydrogen 2.959 N/A GLN 25.A NE2 HIS 130.A O no hydrogen 3.304 N/A GLN 25.A NE2 PHE 133.A O no hydrogen 3.362 N/A TYR 26.A N ALA 22.A O no hydrogen 3.138 N/A LEU 27.A N PHE 23.A O no hydrogen 2.802 N/A GLN 28.A NE2 ASP 91.A O no hydrogen 2.619 N/A GLN 28.A NE2 ARG 128.A O no hydrogen 3.200 N/A HIS 35.A N PHE 32.A O no hydrogen 2.925 N/A HIS 35.A NE2 LEU 27.A O no hydrogen 3.197 N/A VAL 36.A N PHE 32.A O no hydrogen 3.209 N/A LYS 37.A N GLU 33.A O no hydrogen 3.101 N/A LEU 38.A N ASP 34.A O no hydrogen 3.308 N/A VAL 39.A N HIS 35.A O no hydrogen 2.856 N/A ASN 40.A N VAL 36.A O no hydrogen 2.941 N/A GLU 41.A N LYS 37.A O no hydrogen 3.136 N/A VAL 42.A N LEU 38.A O no hydrogen 3.111 N/A THR 43.A N VAL 39.A O no hydrogen 2.650 N/A THR 43.A OG1 VAL 39.A O no hydrogen 3.173 N/A GLU 44.A N ASN 40.A O no hydrogen 2.838 N/A PHE 45.A N GLU 41.A O no hydrogen 3.025 N/A ALA 46.A N VAL 42.A O no hydrogen 3.172 N/A LYS 47.A N THR 43.A O no hydrogen 3.388 N/A LYS 47.A NZ GLU 12.A OE1 no hydrogen 3.495 N/A LYS 47.A NZ GLU 12.A OE2 no hydrogen 3.199 N/A LYS 47.A NZ GLU 44.A OE2 no hydrogen 3.287 N/A THR 48.A N GLU 44.A O no hydrogen 3.244 N/A THR 48.A OG1 PHE 45.A O no hydrogen 2.758 N/A CYS 49.A N PHE 45.A O no hydrogen 3.308 N/A CYS 49.A SG PHE 45.A O no hydrogen 3.336 N/A VAL 50.A N LYS 47.A O no hydrogen 3.108 N/A ALA 51.A N LYS 47.A O no hydrogen 3.164 N/A ALA 51.A N THR 48.A O no hydrogen 2.850 N/A ASP 52.A N THR 48.A O no hydrogen 2.555 N/A ALA 55.A N ASP 52.A O no hydrogen 2.854 N/A CYS 58.A SG ASP 52.A O no hydrogen 3.788 N/A CYS 58.A SG GLU 56.A O no hydrogen 3.613 N/A LYS 60.A N ASN 57.A O no hydrogen 3.164 N/A SER 61.A OG THR 64.A OG1 no hydrogen 2.560 N/A THR 64.A N SER 61.A OG no hydrogen 3.262 N/A THR 64.A OG1 SER 61.A OG no hydrogen 2.560 N/A LEU 65.A N SER 61.A O no hydrogen 3.098 N/A PHE 66.A N LEU 62.A O no hydrogen 2.865 N/A GLY 67.A N HIS 63.A O no hydrogen 2.645 N/A ASP 68.A N THR 64.A O no hydrogen 2.709 N/A LYS 69.A N LEU 65.A O no hydrogen 3.065 N/A LYS 69.A NZ GLU 41.A OE1 no hydrogen 2.598 N/A LEU 70.A N PHE 66.A O no hydrogen 3.104 N/A CYS 71.A N GLY 67.A O no hydrogen 3.098 N/A CYS 71.A N ASP 68.A O no hydrogen 2.821 N/A CYS 71.A SG GLY 67.A O no hydrogen 3.175 N/A THR 72.A N LYS 69.A O no hydrogen 2.860 N/A THR 72.A OG1 LYS 69.A O no hydrogen 2.867 N/A LYS 77.A N CYS 74.A O no hydrogen 3.323 N/A ARG 82.A N GLN 78.A O no hydrogen 2.977 N/A ARG 82.A NH1 THR 64.A O no hydrogen 3.527 N/A ARG 82.A NH1 GLU 79.A OE1 no hydrogen 3.102 N/A ARG 82.A NH2 ASP 68.A OD1 no hydrogen 2.890 N/A ASN 83.A N PRO 80.A O no hydrogen 2.962 N/A ASN 83.A ND2 TYR 26.A OH no hydrogen 2.864 N/A GLU 84.A N PRO 80.A O no hydrogen 3.138 N/A LEU 87.A N ASN 83.A O no hydrogen 3.073 N/A GLN 88.A N GLU 84.A O no hydrogen 3.016 N/A HIS 89.A N PHE 86.A O no hydrogen 3.065 N/A LYS 90.A NZ PRO 131.A O no hydrogen 2.820 N/A ASP 91.A N GLN 28.A OE1 no hydrogen 2.892 N/A ASN 93.A N ASP 91.A OD1 no hydrogen 2.721 N/A VAL 100.A N ARG 98.A O no hydrogen 3.025 N/A MET 107.A N GLU 103.A O no hydrogen 3.045 N/A CYS 108.A N VAL 104.A O no hydrogen 2.889 N/A CYS 108.A SG VAL 104.A O no hydrogen 3.542 N/A THR 109.A N ASP 105.A O no hydrogen 2.884 N/A THR 109.A OG1 ASP 105.A O no hydrogen 2.741 N/A ALA 110.A N VAL 106.A O no hydrogen 3.481 N/A PHE 111.A N MET 107.A O no hydrogen 2.848 N/A HIS 112.A N CYS 108.A O no hydrogen 3.303 N/A HIS 112.A N THR 109.A O no hydrogen 3.310 N/A ASP 113.A N THR 109.A O no hydrogen 2.900 N/A ASN 114.A N ALA 110.A O no hydrogen 3.230 N/A THR 117.A N ASN 114.A OD1 no hydrogen 3.201 N/A LEU 119.A N GLU 115.A O no hydrogen 3.367 N/A LYS 120.A N GLU 116.A O no hydrogen 3.050 N/A LYS 121.A N PHE 118.A O no hydrogen 3.195 N/A TYR 122.A N PHE 118.A O no hydrogen 3.193 N/A LEU 123.A N LEU 119.A O no hydrogen 2.933 N/A TYR 124.A N LYS 120.A O no hydrogen 2.903 N/A TYR 124.A OH CYS 30.A O no hydrogen 2.727 N/A GLU 125.A N LYS 121.A O no hydrogen 2.929 N/A ILE 126.A N TYR 122.A O no hydrogen 2.922 N/A ALA 127.A N LEU 123.A O no hydrogen 2.919 N/A ARG 128.A N TYR 124.A O no hydrogen 3.094 N/A ARG 128.A NH1 GLU 125.A OE1 no hydrogen 2.910 N/A ARG 128.A NH2 GLN 28.A O no hydrogen 3.078 N/A ARG 129.A N GLU 125.A O no hydrogen 3.189 N/A ARG 129.A N ILE 126.A O no hydrogen 3.260 N/A ARG 129.A NH1 GLU 125.A O no hydrogen 3.064 N/A ARG 129.A NH1 GLU 125.A OE1 no hydrogen 2.754 N/A ARG 129.A NH2 PRO 97.A O no hydrogen 3.201 N/A ARG 129.A NH2 GLU 125.A OE1 no hydrogen 3.542 N/A HIS 130.A N ILE 126.A O no hydrogen 3.007 N/A HIS 130.A N ALA 127.A O no hydrogen 3.265 N/A PHE 133.A N HIS 130.A O no hydrogen 2.946 N/A LEU 138.A N TYR 134.A O no hydrogen 3.089 N/A LEU 139.A N ALA 135.A O no hydrogen 3.272 N/A LEU 139.A N PRO 136.A O no hydrogen 2.982 N/A PHE 141.A N GLU 137.A O no hydrogen 2.988 N/A ALA 142.A N LEU 138.A O no hydrogen 2.815 N/A LYS 143.A N LEU 139.A O no hydrogen 3.223 N/A ARG 144.A N PHE 140.A O no hydrogen 3.095 N/A TYR 145.A N PHE 141.A O no hydrogen 2.747 N/A LYS 146.A N ALA 142.A O no hydrogen 2.900 N/A ALA 147.A N LYS 143.A O no hydrogen 2.914 N/A ALA 148.A N ARG 144.A O no hydrogen 3.321 N/A PHE 149.A N TYR 145.A O no hydrogen 3.477 N/A THR 150.A N LYS 146.A O no hydrogen 3.044 N/A GLU 151.A N ALA 147.A O no hydrogen 3.103 N/A GLU 151.A N ALA 148.A O no hydrogen 3.038 N/A CYS 152.A N ALA 148.A O no hydrogen 2.718 N/A CYS 153.A N PHE 149.A O no hydrogen 3.372 N/A CYS 153.A SG PHE 149.A O no hydrogen 3.424 N/A LYS 158.A NZ ASP 105.A OD1 no hydrogen 3.239 N/A LYS 158.A NZ CYS 153.A O no hydrogen 3.360 N/A CYS 161.A N LYS 158.A O no hydrogen 2.641 N/A LEU 162.A N LYS 158.A O no hydrogen 2.714 N/A LYS 165.A N LEU 162.A O no hydrogen 2.459 N/A LEU 166.A N LEU 162.A O no hydrogen 3.120 N/A ASP 167.A N LEU 163.A O no hydrogen 2.850 N/A GLU 168.A N PRO 164.A O no hydrogen 3.422 N/A LEU 169.A N LYS 165.A O no hydrogen 3.256 N/A ARG 170.A N LEU 166.A O no hydrogen 3.501 N/A ASP 171.A N ASP 167.A O no hydrogen 3.213 N/A GLU 172.A N GLU 168.A O no hydrogen 2.913 N/A GLY 173.A N LEU 169.A O no hydrogen 2.610 N/A LYS 174.A N ARG 170.A O no hydrogen 2.812 N/A LYS 174.A N ASP 171.A O no hydrogen 2.929 N/A ALA 175.A N ASP 171.A O no hydrogen 3.009 N/A SER 176.A N GLU 172.A O no hydrogen 2.964 N/A SER 177.A N GLY 173.A O no hydrogen 3.180 N/A SER 177.A OG HIS 130.A ND1 no hydrogen 2.909 N/A ALA 178.A N LYS 174.A O no hydrogen 3.190 N/A LYS 179.A N ALA 175.A O no hydrogen 2.774 N/A GLN 180.A N SER 176.A O no hydrogen 2.865 N/A ARG 181.A N SER 177.A O no hydrogen 2.758 N/A ARG 181.A NE ASP 92.A OD1 no hydrogen 2.952 N/A ARG 181.A NE ASP 92.A OD2 no hydrogen 3.495 N/A ARG 181.A NH1 ARG 181.A O no hydrogen 3.101 N/A ARG 181.A NH2 ASP 92.A OD2 no hydrogen 3.201 N/A LEU 182.A N ALA 178.A O no hydrogen 3.235 N/A CYS 184.A N GLN 180.A O no hydrogen 3.006 N/A CYS 184.A SG GLN 180.A O no hydrogen 3.595 N/A CYS 184.A SG GLN 180.A OE1 no hydrogen 3.905 N/A ALA 185.A N ARG 181.A O no hydrogen 2.875 N/A SER 186.A N LEU 182.A O no hydrogen 2.851 N/A SER 186.A OG LEU 182.A O no hydrogen 2.681 N/A LEU 187.A N LYS 183.A O no hydrogen 3.052 N/A GLN 188.A N CYS 184.A O no hydrogen 2.979 N/A LYS 189.A N ALA 185.A O no hydrogen 2.994 N/A PHE 190.A N SER 186.A O no hydrogen 3.234 N/A GLY 191.A N LEU 187.A O no hydrogen 2.868 N/A ALA 194.A N GLY 191.A O no hydrogen 3.170 N/A PHE 195.A N GLY 191.A O no hydrogen 3.435 N/A LYS 196.A N GLU 192.A O no hydrogen 2.656 N/A ALA 197.A N ARG 193.A O no hydrogen 3.229 N/A TRP 198.A N ALA 194.A O no hydrogen 3.383 N/A ALA 199.A N PHE 195.A O no hydrogen 2.927 N/A VAL 200.A N LYS 196.A O no hydrogen 2.844 N/A ALA 201.A N ALA 197.A O no hydrogen 2.880 N/A ARG 202.A N TRP 198.A O no hydrogen 3.019 N/A LEU 203.A N ALA 199.A O no hydrogen 2.812 N/A SER 204.A N VAL 200.A O no hydrogen 3.073 N/A SER 204.A OG VAL 200.A O no hydrogen 2.876 N/A GLN 205.A N ARG 202.A O no hydrogen 3.116 N/A GLN 205.A NE2 HIS 322.A O no hydrogen 2.985 N/A GLN 205.A NE2 TYR 325.A O no hydrogen 2.764 N/A ARG 206.A N ARG 202.A O no hydrogen 3.021 N/A ARG 206.A NH1 ASN 279.A OD1 no hydrogen 3.190 N/A PHE 207.A N LEU 203.A O no hydrogen 2.685 N/A LYS 209.A NZ GLU 281.A O no hydrogen 2.916 N/A ALA 210.A N PHE 207.A O no hydrogen 3.057 N/A GLU 214.A N GLU 211.A O no hydrogen 3.043 N/A VAL 215.A N GLU 211.A O no hydrogen 3.342 N/A SER 216.A N PHE 212.A O no hydrogen 2.968 N/A SER 216.A OG PHE 212.A O no hydrogen 3.333 N/A LYS 217.A N ALA 213.A O no hydrogen 3.049 N/A LYS 217.A NZ ASP 221.A OD1 no hydrogen 2.854 N/A LYS 217.A NZ ASP 221.A OD2 no hydrogen 2.654 N/A LEU 218.A N GLU 214.A O no hydrogen 3.040 N/A VAL 219.A N VAL 215.A O no hydrogen 2.803 N/A THR 220.A N SER 216.A O no hydrogen 2.867 N/A THR 220.A OG1 SER 216.A O no hydrogen 2.927 N/A ASP 221.A N LYS 217.A O no hydrogen 3.096 N/A LEU 222.A N LEU 218.A O no hydrogen 2.865 N/A THR 223.A N VAL 219.A O no hydrogen 2.834 N/A THR 223.A OG1 VAL 219.A O no hydrogen 2.695 N/A LYS 224.A N THR 220.A O no hydrogen 3.082 N/A VAL 225.A N ASP 221.A O no hydrogen 2.879 N/A HIS 226.A N LEU 222.A O no hydrogen 2.910 N/A HIS 226.A ND1 GLN 180.A OE1 no hydrogen 3.334 N/A THR 227.A N THR 223.A O no hydrogen 2.902 N/A THR 227.A OG1 THR 223.A O no hydrogen 2.565 N/A GLU 228.A N LYS 224.A O no hydrogen 3.085 N/A CYS 229.A N VAL 225.A O no hydrogen 3.101 N/A CYS 230.A N HIS 226.A O no hydrogen 2.879 N/A CYS 230.A SG GLN 180.A OE1 no hydrogen 3.652 N/A CYS 230.A SG HIS 226.A O no hydrogen 3.345 N/A HIS 231.A N THR 227.A O no hydrogen 2.836 N/A HIS 231.A N GLU 228.A O no hydrogen 3.163 N/A HIS 231.A ND1 ASP 233.A OD2 no hydrogen 2.356 N/A ASP 233.A N GLU 228.A O no hydrogen 2.754 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.472 N/A CYS 237.A N ASP 233.A O no hydrogen 3.099 N/A CYS 237.A SG VAL 225.A O no hydrogen 3.577 N/A ALA 238.A N LEU 234.A O no hydrogen 2.903 N/A ASP 239.A N LEU 235.A O no hydrogen 3.154 N/A ASP 240.A N GLU 236.A O no hydrogen 2.788 N/A ARG 241.A N CYS 237.A O no hydrogen 2.745 N/A ARG 241.A NH1 GLU 137.A OE2 no hydrogen 3.084 N/A ARG 241.A NH2 GLU 137.A OE2 no hydrogen 2.947 N/A ALA 242.A N ALA 238.A O no hydrogen 2.885 N/A ASP 243.A N ASP 239.A O no hydrogen 3.054 N/A LEU 244.A N ASP 240.A O no hydrogen 2.953 N/A ALA 245.A N ARG 241.A O no hydrogen 2.905 N/A LYS 246.A N ALA 242.A O no hydrogen 2.876 N/A TYR 247.A N ASP 243.A O no hydrogen 2.788 N/A TYR 247.A OH GLU 214.A OE2 no hydrogen 2.522 N/A ILE 248.A N LEU 244.A O no hydrogen 2.942 N/A CYS 249.A N ALA 245.A O no hydrogen 3.241 N/A CYS 249.A SG ALA 245.A O no hydrogen 3.681 N/A GLU 250.A N LYS 246.A O no hydrogen 3.131 N/A ASN 251.A N TYR 247.A O no hydrogen 3.050 N/A GLN 252.A N CYS 249.A O no hydrogen 3.425 N/A GLN 252.A NE2 CYS 249.A O no hydrogen 3.192 N/A SER 254.A N ASN 251.A O no hydrogen 2.669 N/A SER 254.A OG ASN 251.A O no hydrogen 2.796 N/A ILE 255.A N GLN 252.A O no hydrogen 3.192 N/A SER 256.A N GLN 252.A O no hydrogen 3.233 N/A SER 256.A OG ASP 280.A OD2 no hydrogen 3.053 N/A SER 257.A N ASP 280.A OD2 no hydrogen 2.594 N/A SER 257.A OG ASP 280.A OD2 no hydrogen 3.198 N/A LYS 258.A N SER 256.A OG no hydrogen 3.412 N/A CYS 263.A N LEU 259.A O no hydrogen 2.817 N/A CYS 263.A SG LEU 259.A O no hydrogen 3.104 N/A GLU 264.A N GLU 261.A O no hydrogen 3.427 N/A LYS 265.A N CYS 262.A O no hydrogen 3.258 N/A LYS 270.A N PRO 266.A O no hydrogen 3.027 N/A SER 271.A N LEU 267.A O no hydrogen 3.114 N/A SER 271.A OG LEU 267.A O no hydrogen 3.275 N/A HIS 272.A N LEU 268.A O no hydrogen 3.222 N/A HIS 272.A ND1 GLU 137.A OE1 no hydrogen 2.677 N/A CYS 273.A N GLU 269.A O no hydrogen 2.761 N/A ILE 274.A N LYS 270.A O no hydrogen 2.764 N/A ALA 275.A N SER 271.A O no hydrogen 3.113 N/A GLU 276.A N HIS 272.A O no hydrogen 3.203 N/A GLU 276.A N CYS 273.A O no hydrogen 3.013 N/A VAL 277.A N ILE 274.A O no hydrogen 3.430 N/A ASP 280.A N ARG 206.A O no hydrogen 2.707 N/A GLU 281.A N ASP 280.A OD1 no hydrogen 2.431 N/A ASP 292.A N LEU 289.A O no hydrogen 3.279 N/A PHE 293.A N LEU 289.A O no hydrogen 3.069 N/A PHE 293.A N ALA 290.A O no hydrogen 3.033 N/A VAL 294.A N ALA 290.A O no hydrogen 2.724 N/A GLU 295.A N ALA 290.A O no hydrogen 2.978 N/A SER 296.A N ALA 291.A O no hydrogen 3.064 N/A SER 296.A OG ASP 298.A OD1 no hydrogen 3.299 N/A ASP 298.A N SER 296.A OG no hydrogen 3.091 N/A ASN 302.A N ASP 298.A O no hydrogen 2.856 N/A TYR 303.A N VAL 299.A O no hydrogen 2.902 N/A TYR 303.A OH GLU 342.A OE1 no hydrogen 3.153 N/A ALA 304.A N CYS 300.A O no hydrogen 3.133 N/A ALA 304.A N LYS 301.A O no hydrogen 3.199 N/A GLU 305.A N LYS 301.A O no hydrogen 2.892 N/A ALA 306.A N ASN 302.A O no hydrogen 3.028 N/A PHE 310.A N ALA 306.A O no hydrogen 2.860 N/A LEU 311.A N LYS 307.A O no hydrogen 2.743 N/A GLY 312.A N ASP 308.A O no hydrogen 3.195 N/A MET 313.A N VAL 309.A O no hydrogen 2.942 N/A PHE 314.A N PHE 310.A O no hydrogen 2.865 N/A LEU 315.A N LEU 311.A O no hydrogen 2.877 N/A TYR 316.A N GLY 312.A O no hydrogen 2.845 N/A TYR 316.A OH ALA 210.A O no hydrogen 2.448 N/A GLU 317.A N MET 313.A O no hydrogen 2.794 N/A TYR 318.A N PHE 314.A O no hydrogen 2.884 N/A ALA 319.A N LEU 315.A O no hydrogen 2.795 N/A ARG 320.A N TYR 316.A O no hydrogen 3.043 N/A ARG 320.A NE PRO 208.A O no hydrogen 3.101 N/A ARG 320.A NH1 GLU 317.A OE1 no hydrogen 2.969 N/A ARG 320.A NH2 PRO 208.A O no hydrogen 2.614 N/A ARG 321.A NE GLU 317.A O no hydrogen 2.848 N/A ARG 321.A NH1 PRO 287.A O no hydrogen 2.505 N/A ARG 321.A NH2 GLU 317.A OE1 no hydrogen 2.822 N/A HIS 322.A N ALA 319.A O no hydrogen 2.765 N/A TYR 325.A N HIS 322.A O no hydrogen 3.164 N/A SER 326.A OG GLU 434.A OE1 no hydrogen 2.975 N/A VAL 327.A N ASP 435.A OD2 no hydrogen 3.265 N/A LEU 329.A N SER 326.A O no hydrogen 3.060 N/A LEU 329.A N SER 326.A OG no hydrogen 3.223 N/A LEU 330.A N SER 326.A O no hydrogen 3.164 N/A LEU 331.A N VAL 327.A O no hydrogen 2.974 N/A ARG 332.A N VAL 328.A O no hydrogen 3.094 N/A ARG 332.A NE VAL 466.A O no hydrogen 3.311 N/A ARG 332.A NH1 GLU 434.A OE1 no hydrogen 3.259 N/A LEU 333.A N LEU 329.A O no hydrogen 2.909 N/A ALA 334.A N LEU 330.A O no hydrogen 2.778 N/A LYS 335.A N LEU 331.A O no hydrogen 2.863 N/A LYS 335.A NZ GLU 338.A OE1 no hydrogen 2.904 N/A THR 336.A N ARG 332.A O no hydrogen 2.922 N/A THR 336.A OG1 ARG 332.A O no hydrogen 3.278 N/A TYR 337.A N LEU 333.A O no hydrogen 2.782 N/A TYR 337.A OH PHE 293.A O no hydrogen 2.609 N/A GLU 338.A N ALA 334.A O no hydrogen 2.933 N/A THR 339.A N LYS 335.A O no hydrogen 2.909 N/A THR 339.A OG1 LYS 335.A O no hydrogen 3.043 N/A THR 340.A N THR 336.A O no hydrogen 2.872 N/A THR 340.A OG1 THR 336.A O no hydrogen 3.130 N/A LEU 341.A N TYR 337.A O no hydrogen 3.042 N/A GLU 342.A N GLU 338.A O no hydrogen 2.899 N/A LYS 343.A N THR 339.A O no hydrogen 3.248 N/A CYS 344.A N THR 340.A O no hydrogen 3.045 N/A CYS 345.A N LEU 341.A O no hydrogen 2.860 N/A CYS 345.A SG LEU 341.A O no hydrogen 3.427 N/A ALA 346.A N LYS 343.A O no hydrogen 3.347 N/A GLU 352.A N ASP 349.A O no hydrogen 3.040 N/A CYS 353.A N ASP 349.A O no hydrogen 3.452 N/A TYR 354.A N PRO 350.A O no hydrogen 3.129 N/A TYR 354.A OH SER 296.A O no hydrogen 3.320 N/A ALA 355.A N GLU 352.A O no hydrogen 3.257 N/A VAL 357.A N TYR 354.A O no hydrogen 3.461 N/A ASP 359.A N LYS 356.A O no hydrogen 2.984 N/A PHE 361.A N PHE 358.A O no hydrogen 3.000 N/A LYS 362.A N PHE 358.A O no hydrogen 3.489 N/A VAL 365.A N PHE 361.A O no hydrogen 3.006 N/A VAL 365.A N LYS 362.A O no hydrogen 3.058 N/A GLU 366.A N LYS 362.A O no hydrogen 3.066 N/A GLU 367.A N PRO 363.A O no hydrogen 3.415 N/A GLN 369.A N VAL 365.A O no hydrogen 3.513 N/A ASN 370.A N GLU 366.A O no hydrogen 2.912 N/A LEU 371.A N GLU 367.A O no hydrogen 3.434 N/A ILE 372.A N PRO 368.A O no hydrogen 3.093 N/A LYS 373.A N GLN 369.A O no hydrogen 3.044 N/A GLN 374.A N ASN 370.A O no hydrogen 2.822 N/A ASN 375.A N LEU 371.A O no hydrogen 3.140 N/A CYS 376.A SG ILE 372.A O no hydrogen 3.405 N/A GLU 377.A N LYS 373.A O no hydrogen 3.152 N/A LEU 378.A N GLN 374.A O no hydrogen 2.841 N/A PHE 379.A N ASN 375.A O no hydrogen 2.908 N/A GLU 380.A N CYS 376.A O no hydrogen 3.064 N/A GLN 381.A N GLU 377.A O no hydrogen 3.017 N/A LEU 382.A N PHE 379.A O no hydrogen 2.888 N/A GLY 383.A N PHE 379.A O no hydrogen 2.724 N/A PHE 387.A N GLY 383.A O no hydrogen 2.783 N/A GLN 388.A N GLU 384.A O no hydrogen 2.774 N/A GLN 388.A NE2 ARG 412.A O no hydrogen 3.126 N/A ASN 389.A N TYR 385.A O no hydrogen 3.176 N/A ALA 390.A N LYS 386.A O no hydrogen 3.197 N/A LEU 391.A N PHE 387.A O no hydrogen 3.153 N/A LEU 392.A N GLN 388.A O no hydrogen 2.649 N/A VAL 393.A N ASN 389.A O no hydrogen 3.047 N/A ARG 394.A N ALA 390.A O no hydrogen 3.026 N/A TYR 395.A N LEU 391.A O no hydrogen 2.733 N/A THR 396.A N LEU 392.A O no hydrogen 3.055 N/A THR 396.A OG1 LEU 392.A O no hydrogen 2.465 N/A LYS 397.A N VAL 393.A O no hydrogen 3.337 N/A LYS 397.A NZ ALA 523.A O no hydrogen 3.540 N/A LYS 398.A N ARG 394.A O no hydrogen 3.394 N/A LYS 398.A NZ PHE 472.A O no hydrogen 3.171 N/A LYS 398.A NZ SER 473.A O no hydrogen 3.092 N/A LYS 398.A NZ LEU 475.A O no hydrogen 2.891 N/A VAL 399.A N TYR 395.A O no hydrogen 3.063 N/A GLN 401.A NE2 ASP 478.A OD2 no hydrogen 2.776 N/A VAL 402.A N VAL 399.A O no hydrogen 3.070 N/A THR 404.A OG1 GLU 515.A OE2 no hydrogen 2.438 N/A LEU 407.A N SER 403.A O no hydrogen 3.029 N/A VAL 408.A N THR 404.A O no hydrogen 2.897 N/A GLU 409.A N PRO 405.A O no hydrogen 2.981 N/A VAL 410.A N THR 406.A O no hydrogen 2.863 N/A SER 411.A N LEU 407.A O no hydrogen 2.914 N/A SER 411.A OG LEU 407.A O no hydrogen 2.891 N/A ARG 412.A N VAL 408.A O no hydrogen 2.885 N/A ARG 412.A NE GLN 510.A OE1 no hydrogen 3.031 N/A ASN 413.A N GLU 409.A O no hydrogen 3.075 N/A ASN 413.A ND2 GLU 409.A OE2 no hydrogen 3.424 N/A LEU 414.A N VAL 410.A O no hydrogen 2.770 N/A GLY 415.A N SER 411.A O no hydrogen 2.753 N/A LYS 416.A N ARG 412.A O no hydrogen 3.088 N/A LYS 416.A N ASN 413.A O no hydrogen 3.186 N/A LYS 416.A NZ ASN 413.A OD1 no hydrogen 3.371 N/A VAL 417.A N LEU 414.A O no hydrogen 3.117 N/A SER 419.A OG GLU 384.A OE1 no hydrogen 2.858 N/A LYS 420.A N LYS 416.A O no hydrogen 2.956 N/A CYS 421.A N VAL 417.A O no hydrogen 2.776 N/A CYS 422.A N GLY 418.A O no hydrogen 3.326 N/A CYS 422.A SG GLY 418.A O no hydrogen 3.121 N/A HIS 424.A N CYS 421.A O no hydrogen 2.699 N/A LYS 428.A N PRO 425.A O no hydrogen 2.688 N/A ARG 429.A N GLU 426.A O no hydrogen 2.931 N/A ARG 429.A NE HIS 424.A O no hydrogen 2.886 N/A ARG 429.A NH2 CYS 422.A O no hydrogen 3.216 N/A CYS 432.A SG LYS 420.A O no hydrogen 3.581 N/A ALA 433.A N ARG 429.A O no hydrogen 2.699 N/A GLU 434.A N MET 430.A O no hydrogen 2.866 N/A ASP 435.A N PRO 431.A O no hydrogen 3.322 N/A TYR 436.A N CYS 432.A O no hydrogen 3.278 N/A TYR 436.A OH ASN 413.A O no hydrogen 2.818 N/A LEU 437.A N ALA 433.A O no hydrogen 2.729 N/A SER 438.A N GLU 434.A O no hydrogen 3.057 N/A SER 438.A OG GLU 434.A O no hydrogen 2.920 N/A VAL 439.A N TYR 436.A O no hydrogen 3.042 N/A VAL 440.A N TYR 436.A O no hydrogen 3.221 N/A LEU 441.A N LEU 437.A O no hydrogen 3.087 N/A ASN 442.A N SER 438.A O no hydrogen 3.254 N/A ASN 442.A N VAL 439.A O no hydrogen 2.914 N/A GLN 443.A N VAL 439.A O no hydrogen 3.202 N/A LEU 444.A N VAL 440.A O no hydrogen 3.145 N/A CYS 445.A N LEU 441.A O no hydrogen 2.854 N/A CYS 445.A SG LEU 441.A O no hydrogen 3.112 N/A VAL 446.A N ASN 442.A O no hydrogen 2.772 N/A LEU 447.A N GLN 443.A O no hydrogen 2.901 N/A HIS 448.A N LEU 444.A O no hydrogen 2.869 N/A GLU 449.A N CYS 445.A O no hydrogen 3.011 N/A LYS 450.A N LEU 447.A O no hydrogen 3.074 N/A THR 451.A OG1 THR 451.A O no hydrogen 2.528 N/A SER 454.A OG GLN 401.A OE1 no hydrogen 3.539 N/A ARG 456.A N SER 454.A OG no hydrogen 3.293 N/A ARG 456.A NH1 GLU 476.A O no hydrogen 2.950 N/A ARG 456.A NH2 GLU 476.A O no hydrogen 3.156 N/A VAL 457.A N SER 454.A O no hydrogen 3.204 N/A THR 458.A N SER 454.A O no hydrogen 3.164 N/A THR 458.A OG1 SER 454.A O no hydrogen 3.322 N/A LYS 459.A N ASP 455.A O no hydrogen 3.042 N/A CYS 460.A N ARG 456.A O no hydrogen 3.336 N/A CYS 460.A SG ARG 456.A O no hydrogen 3.736 N/A CYS 461.A N VAL 457.A O no hydrogen 2.910 N/A CYS 461.A SG VAL 457.A O no hydrogen 2.926 N/A THR 462.A N THR 458.A O no hydrogen 2.988 N/A THR 462.A OG1 THR 458.A O no hydrogen 2.783 N/A GLU 463.A N LYS 459.A O no hydrogen 2.858 N/A ASN 467.A N SER 464.A OG no hydrogen 2.826 N/A ARG 468.A NE CYS 461.A O no hydrogen 3.049 N/A ARG 468.A NH1 ASN 442.A OD1 no hydrogen 2.914 N/A ARG 468.A NH2 CYS 461.A O no hydrogen 2.876 N/A ARG 469.A NE GLU 434.A OE2 no hydrogen 2.670 N/A ARG 469.A NH1 GLU 367.A OE2 no hydrogen 2.908 N/A ARG 469.A NH1 SER 473.A OG no hydrogen 3.150 N/A ARG 469.A NH2 GLU 367.A OE1 no hydrogen 2.632 N/A ARG 469.A NH2 GLU 367.A OE2 no hydrogen 2.990 N/A ARG 469.A NH2 GLU 434.A OE2 no hydrogen 2.901 N/A CYS 471.A N ASN 467.A O no hydrogen 2.707 N/A PHE 472.A N ARG 468.A O no hydrogen 2.793 N/A SER 473.A N ARG 469.A O no hydrogen 2.804 N/A SER 473.A OG ARG 469.A O no hydrogen 3.265 N/A ALA 474.A N PRO 470.A O no hydrogen 2.839 N/A LEU 475.A N PHE 472.A O no hydrogen 3.099 N/A ASP 478.A N LYS 397.A O no hydrogen 2.894 N/A THR 480.A N ASP 478.A OD1 no hydrogen 3.149 N/A THR 480.A OG1 ASP 478.A OD1 no hydrogen 2.834 N/A THR 480.A OG1 ASP 478.A OD2 no hydrogen 3.464 N/A TYR 481.A OH LYS 518.A O no hydrogen 2.671 N/A LYS 484.A N LYS 518.A O no hydrogen 2.931 N/A LYS 484.A NZ GLU 515.A OE1 no hydrogen 2.725 N/A LYS 484.A NZ GLU 515.A OE2 no hydrogen 3.225 N/A PHE 491.A N ALA 488.A O no hydrogen 2.940 N/A THR 492.A N GLU 489.A O no hydrogen 3.388 N/A THR 492.A OG1 GLU 489.A O no hydrogen 3.165 N/A ILE 497.A N HIS 494.A O no hydrogen 2.809 N/A CYS 498.A N ALA 495.A O no hydrogen 3.390 N/A THR 499.A N ASP 496.A O no hydrogen 2.796 N/A GLU 504.A N SER 501.A OG no hydrogen 3.221 N/A ARG 505.A N SER 501.A O no hydrogen 2.892 N/A GLN 506.A N GLU 502.A O no hydrogen 2.975 N/A ILE 507.A N LYS 503.A O no hydrogen 3.121 N/A LYS 508.A N GLU 504.A O no hydrogen 3.055 N/A LYS 508.A NZ GLU 504.A OE1 no hydrogen 3.489 N/A LYS 509.A N ARG 505.A O no hydrogen 2.917 N/A GLN 510.A N GLN 506.A O no hydrogen 2.845 N/A GLN 510.A NE2 GLN 388.A OE1 no hydrogen 3.257 N/A GLN 510.A NE2 ASN 389.A OD1 no hydrogen 3.240 N/A THR 511.A N ILE 507.A O no hydrogen 2.896 N/A THR 511.A OG1 ILE 507.A O no hydrogen 2.788 N/A ALA 512.A N LYS 508.A O no hydrogen 2.702 N/A LEU 513.A N LYS 509.A O no hydrogen 2.924 N/A VAL 514.A N GLN 510.A O no hydrogen 3.025 N/A GLU 515.A N THR 511.A O no hydrogen 3.143 N/A LEU 516.A N ALA 512.A O no hydrogen 2.921 N/A VAL 517.A N LEU 513.A O no hydrogen 2.987 N/A LYS 518.A N VAL 514.A O no hydrogen 2.800 N/A LYS 518.A NZ VAL 402.A O no hydrogen 2.704 N/A LYS 518.A NZ THR 404.A OG1 no hydrogen 3.269 N/A HIS 519.A N GLU 515.A O no hydrogen 2.985 N/A HIS 519.A N LEU 516.A O no hydrogen 3.073 N/A HIS 519.A ND1 LYS 484.A O no hydrogen 2.633 N/A LYS 520.A N LEU 516.A O no hydrogen 2.976 N/A ALA 523.A N LYS 520.A O no hydrogen 2.880 N/A LEU 528.A N THR 524.A O no hydrogen 2.915 N/A LYS 529.A N LYS 525.A O no hydrogen 3.228 N/A ALA 530.A N GLU 526.A O no hydrogen 3.235 N/A VAL 531.A N GLN 527.A O no hydrogen 3.103 N/A MET 532.A N LEU 528.A O no hydrogen 2.912 N/A ASP 533.A N LYS 529.A O no hydrogen 2.824 N/A ASP 534.A N ALA 530.A O no hydrogen 3.090 N/A PHE 535.A N VAL 531.A O no hydrogen 3.112 N/A ALA 536.A N MET 532.A O no hydrogen 2.633 N/A ALA 537.A N ASP 533.A O no hydrogen 2.765 N/A PHE 538.A N ASP 534.A O no hydrogen 2.754 N/A VAL 539.A N PHE 535.A O no hydrogen 3.036 N/A GLU 540.A N ALA 536.A O no hydrogen 2.998 N/A LYS 541.A N ALA 537.A O no hydrogen 2.952 N/A CYS 542.A N PHE 538.A O no hydrogen 3.081 N/A CYS 543.A N VAL 539.A O no hydrogen 3.063 N/A CYS 543.A SG VAL 539.A O no hydrogen 3.292 N/A LYS 544.A N LYS 541.A O no hydrogen 2.737 N/A ALA 545.A N CYS 542.A O no hydrogen 3.322 N/A THR 550.A N ASP 547.A O no hydrogen 2.579 N/A THR 550.A OG1 ASP 547.A O no hydrogen 2.962 N/A CYS 551.A N ASP 547.A O no hydrogen 3.176 N/A PHE 552.A N LYS 548.A O no hydrogen 2.897 N/A ALA 553.A N THR 550.A O no hydrogen 3.322 N/A