Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A N ASP 4.A O no hydrogen 3.142 N/A LYS 8.A NZ ARG 3.A O no hydrogen 3.132 N/A LEU 9.A N VAL 6.A O no hydrogen 3.135 N/A ALA 10.A N VAL 6.A O no hydrogen 2.793 N/A ASN 12.A N LEU 9.A O no hydrogen 2.839 N/A ASN 12.A ND2 LYS 8.A O no hydrogen 3.089 N/A ASN 12.A ND2 ASP 514.A OD2 no hydrogen 2.769 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.823 N/A THR 13.A OG1 TYR 468.A OH no hydrogen 2.850 N/A HIS 14.A N THR 509.A O no hydrogen 2.662 N/A GLN 15.A NE2 TYR 508.A OH no hydrogen 2.843 N/A HIS 16.A N SER 507.A O no hydrogen 2.778 N/A PHE 18.A N TRP 505.A O no hydrogen 3.075 N/A SER 26.A N LEU 40.A O no hydrogen 2.920 N/A SER 28.A N LEU 38.A O no hydrogen 3.075 N/A VAL 30.A N VAL 36.A O no hydrogen 2.781 N/A ASP 32.A N ASN 86.A OD1 no hydrogen 2.821 N/A SER 33.A N GLU 483.A OE2 no hydrogen 2.820 N/A THR 34.A OG1 VAL 30.A O no hydrogen 2.576 N/A THR 34.A OG1 GLY 31.A O no hydrogen 3.455 N/A VAL 36.A N THR 34.A OG1 no hydrogen 3.314 N/A ILE 37.A N SER 55.A O no hydrogen 3.092 N/A LEU 38.A N SER 28.A O no hydrogen 2.952 N/A VAL 39.A N TYR 53.A O no hydrogen 2.877 N/A LEU 40.A N SER 26.A O no hydrogen 2.892 N/A THR 41.A N LYS 51.A O no hydrogen 2.918 N/A THR 41.A OG1 LYS 51.A O no hydrogen 3.473 N/A THR 42.A N SER 24.A O no hydrogen 2.922 N/A PHE 43.A N GLN 49.A O no hydrogen 3.452 N/A GLN 49.A N PHE 43.A O no hydrogen 3.209 N/A SER 50.A OG THR 41.A O no hydrogen 2.937 N/A SER 50.A OG ILE 74.A O no hydrogen 3.492 N/A LYS 51.A N THR 41.A O no hydrogen 3.371 N/A LYS 51.A N THR 41.A OG1 no hydrogen 2.877 N/A LYS 51.A NZ ASP 64.A OD1 no hydrogen 3.214 N/A LYS 51.A NZ ASP 64.A OD2 no hydrogen 2.750 N/A LYS 51.A NZ THR 66.A OG1 no hydrogen 3.000 N/A LEU 52.A N THR 66.A OG1 no hydrogen 3.087 N/A TYR 53.A N VAL 39.A O no hydrogen 2.829 N/A TYR 53.A OH ASP 20.A O no hydrogen 2.679 N/A ARG 54.A N LYS 63.A O no hydrogen 2.992 N/A ARG 54.A NE PHE 111.A O no hydrogen 2.988 N/A ARG 54.A NH2 PHE 111.A O no hydrogen 3.090 N/A SER 55.A N ILE 37.A O no hydrogen 2.874 N/A SER 55.A OG ASP 57.A OD1 no hydrogen 2.842 N/A SER 55.A OG ASN 61.A O no hydrogen 3.026 N/A ASP 57.A N SER 55.A OG no hydrogen 3.151 N/A TYR 58.A N GLY 35.A O no hydrogen 2.752 N/A TYR 58.A OH GLU 483.A OE2 no hydrogen 3.092 N/A GLY 59.A N SER 55.A OG no hydrogen 2.861 N/A LYS 60.A NZ ASP 511.A OD2 no hydrogen 2.663 N/A ASN 61.A N ASP 57.A OD1 no hydrogen 2.867 N/A ASN 61.A ND2 ASP 57.A OD2 no hydrogen 2.792 N/A LYS 63.A N ARG 54.A O no hydrogen 3.078 N/A ILE 65.A N LEU 52.A O no hydrogen 2.803 N/A THR 66.A N ASP 64.A OD1 no hydrogen 3.217 N/A THR 66.A OG1 LEU 52.A O no hydrogen 3.563 N/A THR 66.A OG1 ASP 64.A OD1 no hydrogen 2.481 N/A ASP 67.A N ASP 67.A OD1 no hydrogen 2.385 N/A LEU 68.A N ILE 65.A O no hydrogen 2.763 N/A ILE 69.A N THR 66.A O no hydrogen 2.966 N/A ASN 70.A N ASP 67.A O no hydrogen 2.932 N/A ASN 71.A N THR 66.A O no hydrogen 3.196 N/A THR 72.A N ILE 69.A O no hydrogen 2.898 N/A THR 72.A OG1 ILE 69.A O no hydrogen 3.014 N/A THR 72.A OG1 ASN 70.A O no hydrogen 3.459 N/A ILE 74.A N SER 50.A OG no hydrogen 2.980 N/A ARG 75.A N THR 93.A O no hydrogen 3.083 N/A GLY 79.A N THR 76.A O no hydrogen 2.687 N/A ALA 81.A N VAL 91.A O no hydrogen 3.072 N/A GLY 83.A N LYS 89.A O no hydrogen 2.855 N/A ASN 86.A ND2 ASP 32.A O no hydrogen 3.302 N/A SER 87.A N PRO 84.A O no hydrogen 3.036 N/A SER 87.A OG PRO 84.A O no hydrogen 2.945 N/A LYS 89.A N SER 87.A OG no hydrogen 3.335 N/A LYS 89.A NZ SER 135.A OG no hydrogen 3.333 N/A LYS 89.A NZ ASP 136.A OD1 no hydrogen 3.501 N/A VAL 90.A N SER 108.A O no hydrogen 2.843 N/A VAL 91.A N ALA 81.A O no hydrogen 3.100 N/A LEU 92.A N PHE 106.A O no hydrogen 2.845 N/A ALA 94.A N ARG 104.A O no hydrogen 2.813 N/A GLU 95.A N PHE 73.A O no hydrogen 3.198 N/A SER 100.A N SER 97.A O no hydrogen 3.267 N/A GLY 103.A N PHE 122.A O no hydrogen 2.785 N/A ARG 104.A NE ASP 119.A OD1 no hydrogen 2.715 N/A ARG 104.A NH2 ASP 119.A OD1 no hydrogen 3.191 N/A ILE 105.A N THR 118.A O no hydrogen 2.976 N/A PHE 106.A N LEU 92.A O no hydrogen 2.790 N/A ARG 107.A N VAL 116.A O no hydrogen 2.925 N/A ARG 107.A NE THR 118.A OG1 no hydrogen 2.627 N/A ARG 107.A NH1 PHE 153.A O no hydrogen 2.790 N/A SER 108.A N VAL 90.A O no hydrogen 2.847 N/A SER 108.A OG ASP 110.A OD1 no hydrogen 3.018 N/A SER 108.A OG ASN 114.A O no hydrogen 2.968 N/A ASP 110.A N SER 108.A OG no hydrogen 3.207 N/A PHE 111.A N GLY 88.A O no hydrogen 2.786 N/A ALA 112.A N SER 108.A OG no hydrogen 2.974 N/A LYS 113.A N ASP 110.A O no hydrogen 3.251 N/A ASN 114.A N ASP 110.A OD1 no hydrogen 3.075 N/A ASN 114.A ND2 ASP 110.A OD2 no hydrogen 2.877 N/A VAL 116.A N ARG 107.A O no hydrogen 2.978 N/A THR 118.A N ILE 105.A O no hydrogen 2.899 N/A LEU 120.A N GLY 103.A O no hydrogen 2.983 N/A HIS 123.A NE2 SER 100.A O no hydrogen 3.073 N/A LEU 125.A N LEU 141.A O no hydrogen 2.968 N/A GLN 127.A NE2 PHE 78.A O no hydrogen 2.865 N/A MET 129.A N LEU 139.A O no hydrogen 3.017 N/A TYR 130.A OH ALA 81.A O no hydrogen 2.679 N/A SER 131.A N TYR 137.A O no hydrogen 2.900 N/A SER 131.A OG ASN 173.A OD1 no hydrogen 2.611 N/A ASN 134.A N SER 131.A O no hydrogen 3.180 N/A ASP 136.A N ASN 134.A OD1 no hydrogen 2.927 N/A TYR 137.A N ASN 134.A O no hydrogen 3.023 N/A LEU 138.A N SER 150.A O no hydrogen 2.996 N/A LEU 139.A N MET 129.A O no hydrogen 2.953 N/A ALA 140.A N TRP 148.A O no hydrogen 3.042 N/A LEU 141.A N THR 126.A OG1 no hydrogen 3.195 N/A SER 142.A N GLY 146.A O no hydrogen 2.869 N/A SER 142.A OG GLY 146.A O no hydrogen 3.463 N/A THR 143.A N HIS 123.A O no hydrogen 2.804 N/A THR 143.A OG1 HIS 123.A O no hydrogen 3.391 N/A ASN 145.A N SER 142.A O no hydrogen 2.912 N/A ASN 145.A ND2 VAL 164.A O no hydrogen 3.388 N/A GLY 146.A N SER 142.A OG no hydrogen 2.867 N/A LEU 147.A N HIS 161.A O no hydrogen 2.680 N/A TRP 148.A N ALA 140.A O no hydrogen 2.930 N/A VAL 149.A N GLU 158.A O no hydrogen 2.911 N/A SER 150.A N LEU 138.A O no hydrogen 2.862 N/A SER 150.A OG ASN 152.A OD1 no hydrogen 3.043 N/A SER 150.A OG LYS 156.A O no hydrogen 2.973 N/A PHE 153.A N ASP 136.A O no hydrogen 2.870 N/A GLY 154.A N SER 150.A OG no hydrogen 2.750 N/A GLY 155.A N ASN 152.A O no hydrogen 3.219 N/A LYS 156.A N ASN 152.A OD1 no hydrogen 2.971 N/A TRP 157.A NE1 GLY 154.A O no hydrogen 2.896 N/A GLU 158.A N VAL 149.A O no hydrogen 3.029 N/A ILE 160.A N LEU 147.A O no hydrogen 2.961 N/A LYS 162.A NZ GLU 159.A OE1 no hydrogen 3.247 N/A ALA 163.A N HIS 161.A ND1 no hydrogen 3.516 N/A VAL 164.A N ASN 145.A O no hydrogen 3.016 N/A CYS 165.A N THR 178.A O no hydrogen 3.072 N/A LYS 168.A N PHE 176.A O no hydrogen 2.861 N/A TRP 169.A NE1 MET 129.A O no hydrogen 2.871 N/A GLY 170.A N THR 174.A O no hydrogen 2.756 N/A THR 174.A N SER 171.A O no hydrogen 3.137 N/A THR 174.A OG1 SER 171.A O no hydrogen 2.962 N/A ILE 175.A N THR 197.A O no hydrogen 3.114 N/A PHE 176.A N LYS 168.A O no hydrogen 2.920 N/A PHE 177.A N TRP 195.A O no hydrogen 3.052 N/A THR 178.A N LEU 166.A O no hydrogen 3.059 N/A THR 179.A N GLU 193.A O no hydrogen 2.914 N/A THR 179.A OG1 GLU 193.A OE2 no hydrogen 2.906 N/A TYR 180.A N ALA 163.A O no hydrogen 3.066 N/A ALA 181.A N ASP 188.A OD2 no hydrogen 2.706 N/A ASN 182.A ND2 ASP 188.A OD1 no hydrogen 3.502 N/A ALA 187.A N SER 184.A OG no hydrogen 3.075 N/A ASP 188.A N SER 184.A O no hydrogen 3.051 N/A ALA 191.A N ASP 188.A O no hydrogen 2.988 N/A LEU 192.A N ILE 211.A O no hydrogen 3.181 N/A GLU 193.A N THR 179.A O no hydrogen 3.096 N/A LEU 194.A N GLY 208.A O no hydrogen 2.789 N/A TRP 195.A N PHE 177.A O no hydrogen 2.841 N/A ARG 196.A N LYS 205.A O no hydrogen 2.753 N/A ARG 196.A NH1 GLN 241.A O no hydrogen 2.719 N/A ARG 196.A NH1 ASP 243.A OD1 no hydrogen 3.043 N/A ARG 196.A NH2 ASP 243.A OD1 no hydrogen 3.396 N/A THR 197.A N ILE 175.A O no hydrogen 2.979 N/A THR 197.A OG1 ASP 199.A OD1 no hydrogen 3.182 N/A THR 197.A OG1 SER 203.A O no hydrogen 2.599 N/A GLY 201.A N THR 197.A OG1 no hydrogen 2.918 N/A LYS 202.A N ASP 199.A O no hydrogen 3.433 N/A SER 203.A N ASP 199.A OD1 no hydrogen 2.693 N/A SER 203.A OG ASP 199.A OD2 no hydrogen 2.474 N/A LYS 205.A N ARG 196.A O no hydrogen 2.829 N/A ILE 207.A N LEU 194.A O no hydrogen 2.858 N/A ILE 211.A N LEU 192.A O no hydrogen 3.007 N/A TYR 212.A N SER 224.A O no hydrogen 2.858 N/A GLY 215.A N PHE 222.A O no hydrogen 2.909 N/A GLY 217.A N PHE 220.A O no hydrogen 3.000 N/A ARG 219.A NE ASP 266.A O no hydrogen 2.744 N/A ARG 219.A NH2 ASP 266.A O no hydrogen 2.986 N/A ARG 219.A NH2 ASP 289.A O no hydrogen 2.752 N/A PHE 220.A N GLY 217.A O no hydrogen 2.830 N/A LEU 221.A N SER 238.A O no hydrogen 2.800 N/A PHE 222.A N GLY 215.A O no hydrogen 2.830 N/A ALA 223.A N HIS 236.A O no hydrogen 3.036 N/A SER 224.A N SER 213.A O no hydrogen 2.866 N/A VAL 225.A N ARG 234.A O no hydrogen 2.806 N/A MET 226.A N LYS 210.A O no hydrogen 2.944 N/A ALA 227.A N THR 232.A O no hydrogen 3.089 N/A THR 232.A OG1 ASP 230.A OD2 no hydrogen 3.247 N/A ARG 233.A N VAL 253.A O no hydrogen 2.986 N/A ARG 233.A NH1 GLN 257.A O no hydrogen 3.444 N/A ARG 233.A NH2 GLN 257.A O no hydrogen 2.922 N/A ARG 234.A N VAL 225.A O no hydrogen 2.943 N/A ARG 234.A NH1 GLU 608.A OE1 no hydrogen 3.290 N/A HIS 236.A N ALA 223.A O no hydrogen 2.857 N/A VAL 237.A N SER 246.A O no hydrogen 2.824 N/A SER 238.A N LEU 221.A O no hydrogen 2.960 N/A SER 238.A OG ASP 240.A OD1 no hydrogen 2.829 N/A SER 238.A OG THR 244.A O no hydrogen 2.660 N/A ASP 240.A N SER 238.A OG no hydrogen 3.312 N/A GLY 242.A N SER 238.A OG no hydrogen 2.726 N/A ASP 243.A N ASP 240.A O no hydrogen 3.118 N/A THR 244.A N ASP 240.A OD1 no hydrogen 2.911 N/A THR 244.A OG1 ASP 240.A OD1 no hydrogen 3.368 N/A THR 244.A OG1 ASP 240.A OD2 no hydrogen 3.034 N/A SER 246.A N VAL 237.A O no hydrogen 2.984 N/A SER 246.A OG HIS 617.A NE2 no hydrogen 3.322 N/A ALA 248.A N ILE 235.A O no hydrogen 3.126 N/A GLN 249.A N ILE 292.A O no hydrogen 2.817 N/A GLN 249.A NE2 ASP 606.A OD1 no hydrogen 2.617 N/A LEU 250.A N ALA 248.A O no hydrogen 2.980 N/A VAL 253.A N ARG 233.A O no hydrogen 2.962 N/A GLY 254.A N GLN 257.A OE1 no hydrogen 2.816 N/A GLN 257.A N GLY 254.A O no hydrogen 3.187 N/A GLN 257.A NE2 ASP 274.A O no hydrogen 2.790 N/A TYR 259.A OH ARG 233.A O no hydrogen 3.247 N/A TYR 259.A OH PRO 251.A O no hydrogen 2.719 N/A SER 260.A N HIS 272.A O no hydrogen 2.904 N/A SER 260.A OG TYR 303.A OH no hydrogen 2.958 N/A LEU 262.A N PHE 270.A O no hydrogen 3.087 N/A ASN 265.A N MET 268.A O no hydrogen 3.030 N/A ASP 267.A N ASN 265.A OD1 no hydrogen 2.794 N/A MET 268.A N ASN 265.A OD1 no hydrogen 3.051 N/A VAL 269.A N SER 287.A OG no hydrogen 2.975 N/A PHE 270.A N ALA 263.A O no hydrogen 2.832 N/A MET 271.A N PHE 285.A O no hydrogen 2.794 N/A HIS 272.A N SER 260.A O no hydrogen 2.757 N/A HIS 272.A ND1 HIS 301.A ND1 no hydrogen 2.946 N/A VAL 273.A N THR 283.A O no hydrogen 3.128 N/A ASP 274.A N PHE 258.A O no hydrogen 3.042 N/A GLU 275.A N PHE 281.A O no hydrogen 3.044 N/A GLY 282.A N HIS 301.A O no hydrogen 2.884 N/A THR 283.A N VAL 273.A O no hydrogen 2.989 N/A ILE 284.A N LEU 298.A O no hydrogen 2.791 N/A PHE 285.A N MET 271.A O no hydrogen 2.909 N/A THR 286.A N SER 295.A O no hydrogen 2.851 N/A SER 287.A N VAL 269.A O no hydrogen 2.984 N/A SER 287.A OG ASP 288.A O no hydrogen 2.675 N/A ASP 288.A N VAL 293.A O no hydrogen 2.926 N/A ARG 290.A N ASP 288.A OD1 no hydrogen 3.085 N/A ARG 290.A NE ASP 288.A OD2 no hydrogen 2.965 N/A ARG 290.A NH2 ASP 288.A OD2 no hydrogen 2.782 N/A GLY 291.A N ASP 288.A O no hydrogen 3.278 N/A ILE 292.A N ASP 288.A OD1 no hydrogen 3.083 N/A VAL 293.A N ASP 288.A OD1 no hydrogen 3.343 N/A TYR 294.A N GLN 249.A OE1 no hydrogen 2.964 N/A TYR 294.A OH GLY 291.A O no hydrogen 2.733 N/A SER 295.A N THR 286.A O no hydrogen 2.813 N/A LYS 296.A NZ ASP 299.A OD2 no hydrogen 3.502 N/A SER 297.A N ILE 284.A O no hydrogen 2.763 N/A SER 297.A OG GLY 342.A O no hydrogen 2.679 N/A LEU 298.A N ILE 284.A O no hydrogen 3.198 N/A ARG 300.A NE LEU 327.A O no hydrogen 2.875 N/A ARG 300.A NH2 SER 328.A O no hydrogen 2.617 N/A HIS 301.A N GLY 282.A O no hydrogen 2.835 N/A HIS 301.A ND1 HIS 272.A ND1 no hydrogen 2.946 N/A HIS 301.A NE2 THR 324.A OG1 no hydrogen 2.638 N/A LEU 302.A N SER 325.A O no hydrogen 3.089 N/A TYR 303.A N GLY 280.A O no hydrogen 2.999 N/A TYR 303.A OH SER 260.A OG no hydrogen 2.958 N/A THR 304.A N GLU 309.A O no hydrogen 2.910 N/A THR 304.A OG1 THR 306.A O no hydrogen 3.197 N/A GLU 309.A N THR 304.A OG1 no hydrogen 2.896 N/A THR 310.A OG1 LEU 302.A O no hydrogen 3.214 N/A PHE 312.A N THR 310.A OG1 no hydrogen 3.321 N/A THR 313.A N ILE 323.A O no hydrogen 2.928 N/A THR 313.A OG1 ASP 311.A O no hydrogen 2.970 N/A VAL 315.A N VAL 321.A O no hydrogen 3.052 N/A THR 316.A N SER 388.A OG no hydrogen 2.977 N/A THR 316.A OG1 SER 388.A OG no hydrogen 2.956 N/A SER 317.A OG ILE 395.A O no hydrogen 3.070 N/A LEU 318.A N VAL 315.A O no hydrogen 3.388 N/A ARG 319.A NE GLU 548.A OE1 no hydrogen 2.731 N/A ARG 319.A NH1 ILE 543.A O no hydrogen 3.059 N/A ARG 319.A NH2 ILE 543.A O no hydrogen 3.394 N/A ARG 319.A NH2 TYR 546.A O no hydrogen 3.016 N/A VAL 321.A N LEU 318.A O no hydrogen 3.248 N/A TYR 322.A N THR 338.A O no hydrogen 2.939 N/A ILE 323.A N THR 313.A O no hydrogen 2.967 N/A THR 324.A N MET 336.A O no hydrogen 2.998 N/A THR 324.A OG1 HIS 301.A NE2 no hydrogen 2.638 N/A SER 325.A OG ASP 311.A OD2 no hydrogen 2.495 N/A VAL 326.A N GLN 334.A O no hydrogen 2.819 N/A LEU 327.A N ARG 300.A O no hydrogen 2.948 N/A SER 328.A N SER 332.A O no hydrogen 2.720 N/A SER 328.A OG ASP 330.A OD2 no hydrogen 3.474 N/A ASN 331.A N SER 328.A O no hydrogen 2.946 N/A SER 332.A N ASP 330.A OD1 no hydrogen 3.100 N/A SER 332.A OG ASP 330.A OD1 no hydrogen 2.544 N/A GLN 334.A N VAL 326.A O no hydrogen 2.913 N/A GLN 334.A NE2 SER 332.A OG no hydrogen 2.961 N/A GLN 334.A NE2 ASP 404.A O no hydrogen 2.966 N/A THR 335.A N HIS 369.A ND1 no hydrogen 3.014 N/A MET 336.A N THR 324.A O no hydrogen 2.875 N/A ILE 337.A N THR 346.A O no hydrogen 2.701 N/A THR 338.A N TYR 322.A O no hydrogen 2.975 N/A THR 338.A OG1 ARG 344.A O no hydrogen 2.644 N/A GLN 341.A N GLY 320.A O no hydrogen 2.919 N/A GLN 341.A NE2 PRO 627.A O no hydrogen 3.031 N/A GLY 342.A N THR 338.A OG1 no hydrogen 2.988 N/A GLY 343.A N ASP 340.A O no hydrogen 3.215 N/A ARG 344.A N ASP 340.A OD1 no hydrogen 3.024 N/A TRP 345.A NE1 SER 297.A OG no hydrogen 2.890 N/A THR 346.A N ILE 337.A O no hydrogen 2.741 N/A SER 354.A N PRO 351.A O no hydrogen 3.089 N/A CYS 356.A SG ASN 362.A O no hydrogen 3.846 N/A CYS 356.A SG LYS 363.A O no hydrogen 3.875 N/A ASP 357.A N VAL 402.A O no hydrogen 2.823 N/A THR 359.A N ASP 357.A OD1 no hydrogen 2.710 N/A THR 359.A OG1 ASP 357.A OD1 no hydrogen 2.555 N/A THR 359.A OG1 ALA 405.A O no hydrogen 3.531 N/A ALA 360.A N ASP 357.A O no hydrogen 3.136 N/A LYS 361.A N ASP 404.A OD2 no hydrogen 2.884 N/A ASN 364.A N ASN 362.A OD1 no hydrogen 2.913 N/A GLU 365.A N ASN 362.A O no hydrogen 3.327 N/A SER 367.A N GLY 403.A O no hydrogen 2.856 N/A SER 367.A OG HIS 369.A NE2 no hydrogen 3.103 N/A SER 367.A OG GLY 403.A O no hydrogen 3.522 N/A LEU 368.A N LEU 348.A O no hydrogen 2.945 N/A HIS 369.A N SER 401.A O no hydrogen 2.861 N/A ILE 370.A N THR 335.A OG1 no hydrogen 2.870 N/A HIS 371.A N HIS 399.A O no hydrogen 2.903 N/A HIS 371.A ND1 SER 375.A OG no hydrogen 2.686 N/A TYR 374.A N ASP 311.A OD1 no hydrogen 2.811 N/A SER 375.A OG HIS 371.A ND1 no hydrogen 2.686 N/A ILE 376.A N ALA 372.A O no hydrogen 3.022 N/A SER 377.A N SER 373.A O no hydrogen 2.980 N/A SER 377.A OG TYR 374.A O no hydrogen 2.789 N/A GLN 378.A N TYR 374.A O no hydrogen 2.990 N/A LYS 379.A N ILE 376.A O no hydrogen 3.071 N/A LEU 380.A N SER 375.A O no hydrogen 3.192 N/A VAL 382.A N LEU 380.A O no hydrogen 2.838 N/A LEU 387.A N ILE 397.A O no hydrogen 2.781 N/A SER 388.A OG THR 316.A OG1 no hydrogen 2.956 N/A ASN 391.A ND2 SER 438.A OG no hydrogen 2.890 N/A ASN 391.A ND2 GLY 485.A O no hydrogen 3.064 N/A ASN 391.A ND2 ALA 486.A O no hydrogen 3.455 N/A ALA 392.A N GLU 389.A O no hydrogen 3.125 N/A GLY 394.A N SER 317.A O no hydrogen 2.849 N/A ILE 395.A N ALA 392.A O no hydrogen 3.206 N/A VAL 396.A N SER 416.A O no hydrogen 2.961 N/A ILE 397.A N LEU 387.A O no hydrogen 3.066 N/A ALA 398.A N TYR 414.A O no hydrogen 3.118 N/A HIS 399.A ND1 MET 384.A O no hydrogen 3.216 N/A GLY 400.A N ASP 412.A O no hydrogen 3.091 N/A SER 401.A N HIS 369.A O no hydrogen 2.843 N/A SER 401.A OG ALA 405.A O no hydrogen 3.547 N/A GLY 403.A N SER 367.A O no hydrogen 2.926 N/A ASP 404.A N THR 359.A OG1 no hydrogen 2.989 N/A ALA 405.A N THR 359.A OG1 no hydrogen 3.366 N/A ILE 406.A N ILE 333.A O no hydrogen 2.792 N/A SER 407.A N SER 401.A OG no hydrogen 3.370 N/A MET 409.A N SER 407.A OG no hydrogen 3.217 N/A VAL 413.A N LEU 427.A O no hydrogen 2.962 N/A TYR 414.A N ALA 398.A O no hydrogen 2.846 N/A ILE 415.A N THR 424.A O no hydrogen 2.873 N/A SER 416.A N VAL 396.A O no hydrogen 2.882 N/A SER 416.A OG SER 422.A O no hydrogen 2.664 N/A ASP 418.A N SER 416.A OG no hydrogen 3.296 N/A GLY 419.A N GLY 394.A O no hydrogen 2.649 N/A GLY 420.A N SER 416.A OG no hydrogen 3.041 N/A GLY 420.A N ASP 418.A OD1 no hydrogen 3.393 N/A TYR 421.A OH HIS 531.A ND1 no hydrogen 2.622 N/A SER 422.A N ASP 418.A OD1 no hydrogen 3.127 N/A SER 422.A OG ASP 418.A OD2 no hydrogen 2.729 N/A TRP 423.A NE1 GLY 420.A O no hydrogen 2.915 N/A THR 424.A N ILE 415.A O no hydrogen 2.859 N/A MET 426.A N VAL 413.A O no hydrogen 2.655 N/A LEU 427.A N VAL 413.A O no hydrogen 3.161 N/A GLY 429.A N ASP 412.A OD1 no hydrogen 2.680 N/A HIS 431.A N HIS 399.A NE2 no hydrogen 3.090 N/A HIS 431.A ND1 GLY 429.A O no hydrogen 2.764 N/A TYR 432.A N ILE 445.A O no hydrogen 2.862 N/A TYR 433.A OH ALA 385.A O no hydrogen 2.927 N/A TYR 433.A OH HIS 399.A ND1 no hydrogen 3.211 N/A THR 434.A N VAL 443.A O no hydrogen 2.976 N/A LEU 436.A N ILE 441.A O no hydrogen 2.765 N/A ASP 437.A N SER 488.A O no hydrogen 2.833 N/A SER 438.A N ALA 486.A O no hydrogen 2.636 N/A GLY 439.A N LEU 436.A O no hydrogen 3.025 N/A GLY 440.A N ASP 437.A O no hydrogen 2.869 N/A ILE 441.A N LEU 436.A O no hydrogen 3.281 N/A ILE 442.A N SER 458.A O no hydrogen 2.971 N/A VAL 443.A N THR 434.A O no hydrogen 3.000 N/A ALA 444.A N LYS 456.A O no hydrogen 2.727 N/A ILE 445.A N TYR 432.A O no hydrogen 2.925 N/A HIS 447.A N PRO 430.A O no hydrogen 3.038 N/A SER 448.A OG ARG 450.A O no hydrogen 3.129 N/A ARG 450.A N SER 448.A OG no hydrogen 2.944 N/A ILE 452.A N ILE 475.A O no hydrogen 2.917 N/A ASN 453.A ND2 THR 471.A O no hydrogen 3.109 N/A ILE 455.A N TYR 468.A O no hydrogen 2.833 N/A LYS 456.A N ALA 444.A O no hydrogen 2.775 N/A LYS 456.A NZ HIS 431.A NE2 no hydrogen 2.815 N/A PHE 457.A N GLN 466.A O no hydrogen 2.850 N/A SER 458.A N ILE 442.A O no hydrogen 2.759 N/A SER 458.A OG ASP 460.A OD1 no hydrogen 2.928 N/A SER 458.A OG CYS 464.A O no hydrogen 2.701 N/A ASP 460.A N SER 458.A OG no hydrogen 3.186 N/A GLY 462.A N SER 458.A OG no hydrogen 2.960 N/A GLN 463.A N ASP 460.A O no hydrogen 3.410 N/A CYS 464.A N ASP 460.A OD1 no hydrogen 3.237 N/A CYS 464.A N ASP 460.A OD2 no hydrogen 2.569 N/A CYS 464.A SG ASP 460.A OD2 no hydrogen 3.739 N/A TRP 465.A NE1 GLY 462.A O no hydrogen 2.994 N/A GLN 466.A N PHE 457.A O no hydrogen 2.969 N/A TYR 468.A N ILE 455.A O no hydrogen 2.762 N/A TYR 468.A OH THR 13.A OG1 no hydrogen 2.850 N/A PHE 470.A N ASN 453.A O no hydrogen 2.871 N/A THR 471.A OG1 ASP 473.A OD1 no hydrogen 2.563 N/A THR 471.A OG1 TYR 508.A OH no hydrogen 2.647 N/A ASP 473.A N THR 471.A OG1 no hydrogen 3.136 N/A ILE 475.A N ILE 452.A O no hydrogen 2.895 N/A TYR 476.A N PHE 496.A O no hydrogen 2.798 N/A THR 478.A N TRP 494.A O no hydrogen 2.825 N/A GLY 479.A N TRP 494.A O no hydrogen 3.321 N/A ALA 481.A N SER 492.A O no hydrogen 2.797 N/A ARG 487.A NH1 ARG 563.A O no hydrogen 3.481 N/A ARG 487.A NH1 TYR 565.A O no hydrogen 2.226 N/A ARG 487.A NH2 TYR 565.A O no hydrogen 2.993 N/A ASN 490.A N SER 488.A OG no hydrogen 3.331 N/A ASN 490.A ND2 SER 488.A OG no hydrogen 3.240 N/A ILE 491.A N ILE 510.A O no hydrogen 2.994 N/A SER 492.A N ALA 481.A O no hydrogen 2.777 N/A SER 492.A OG THR 509.A OG1 no hydrogen 2.642 N/A ILE 493.A N TYR 508.A O no hydrogen 2.760 N/A TRP 494.A N GLY 479.A O no hydrogen 2.694 N/A GLY 495.A N VAL 506.A O no hydrogen 3.021 N/A PHE 496.A N TYR 476.A O no hydrogen 2.866 N/A THR 497.A N GLN 504.A O no hydrogen 2.955 N/A SER 499.A N THR 502.A O no hydrogen 2.718 N/A SER 499.A OG THR 502.A O no hydrogen 2.721 N/A THR 502.A N SER 499.A OG no hydrogen 3.253 N/A THR 502.A OG1 SER 499.A OG no hydrogen 3.354 N/A GLN 504.A N THR 497.A O no hydrogen 3.074 N/A VAL 506.A N GLY 495.A O no hydrogen 2.795 N/A SER 507.A N HIS 16.A O no hydrogen 2.895 N/A TYR 508.A N ILE 493.A O no hydrogen 2.912 N/A THR 509.A N HIS 14.A O no hydrogen 2.673 N/A THR 509.A OG1 SER 492.A OG no hydrogen 2.642 N/A ILE 510.A N ILE 491.A O no hydrogen 2.935 N/A ASP 511.A N ASN 12.A O no hydrogen 2.907 N/A PHE 512.A N MET 489.A O no hydrogen 2.959 N/A LYS 513.A NZ ASP 514.A OD1 no hydrogen 3.132 N/A LYS 513.A NZ ASP 514.A OD2 no hydrogen 3.470 N/A ILE 515.A N PHE 512.A O no hydrogen 3.045 N/A LEU 516.A N PHE 512.A O no hydrogen 3.027 N/A ARG 518.A NH1 ASP 524.A OD2 no hydrogen 2.709 N/A ARG 518.A NH2 ASP 524.A OD1 no hydrogen 2.793 N/A ARG 518.A NH2 ASP 524.A OD2 no hydrogen 3.441 N/A CYS 520.A N GLN 560.A O no hydrogen 2.918 N/A CYS 520.A SG ASN 561.A OD1 no hydrogen 3.944 N/A GLU 521.A N ASP 524.A OD2 no hydrogen 2.890 N/A ASP 524.A N GLU 521.A O no hydrogen 2.919 N/A TYR 525.A N GLU 522.A O no hydrogen 3.321 N/A TYR 525.A OH ASN 561.A OD1 no hydrogen 2.550 N/A THR 526.A N ARG 552.A O no hydrogen 2.760 N/A TRP 528.A N PHE 550.A O no hydrogen 2.783 N/A ALA 530.A N GLU 548.A O no hydrogen 3.114 N/A HIS 531.A ND1 TYR 421.A OH no hydrogen 2.622 N/A HIS 531.A NE2 ARG 319.A O no hydrogen 3.009 N/A SER 532.A OG ASP 540.A OD2 no hydrogen 2.411 N/A THR 533.A N ASP 540.A OD1 no hydrogen 2.688 N/A ASP 534.A N ASP 540.A OD1 no hydrogen 2.743 N/A GLU 536.A N ASP 534.A OD1 no hydrogen 3.252 N/A ASP 537.A N ASP 534.A O no hydrogen 3.025 N/A GLU 539.A N ASP 537.A OD1 no hydrogen 2.718 N/A ASP 540.A N ASP 537.A O no hydrogen 2.940 N/A CYS 542.A N GLU 539.A O no hydrogen 3.245 N/A CYS 542.A SG GLU 539.A O no hydrogen 3.217 N/A ILE 543.A N TYR 546.A O no hydrogen 3.085 N/A TYR 546.A N ILE 543.A O no hydrogen 3.292 N/A LYS 547.A N SER 572.A O no hydrogen 2.775 N/A LYS 547.A NZ TYR 538.A O no hydrogen 2.685 N/A GLN 549.A N GLN 570.A O no hydrogen 3.113 N/A PHE 550.A N TRP 528.A O no hydrogen 2.730 N/A LEU 551.A N THR 568.A O no hydrogen 2.973 N/A ARG 552.A N THR 526.A O no hydrogen 2.894 N/A ARG 552.A NH1 ASP 417.A O no hydrogen 2.656 N/A ARG 552.A NH2 ASP 417.A O no hydrogen 3.119 N/A ARG 552.A NH2 GLU 461.A OE1 no hydrogen 3.309 N/A ARG 554.A N ASP 524.A O no hydrogen 2.863 N/A ARG 554.A NE LYS 523.A O no hydrogen 2.980 N/A LYS 555.A NZ ASP 417.A OD2 no hydrogen 2.821 N/A LYS 555.A NZ GLN 463.A OE1 no hydrogen 2.800 N/A SER 557.A N ARG 554.A O no hydrogen 2.959 N/A SER 557.A OG ASP 524.A OD1 no hydrogen 2.724 N/A GLN 560.A N ARG 518.A O no hydrogen 2.883 N/A ASN 561.A N ASP 437.A OD2 no hydrogen 2.781 N/A ASN 561.A ND2 ASP 437.A O no hydrogen 3.255 N/A GLY 562.A N ASP 437.A OD1 no hydrogen 2.888 N/A ARG 563.A NE SER 33.A OG no hydrogen 3.418 N/A ARG 563.A NH1 GLU 483.A OE1 no hydrogen 2.810 N/A ARG 563.A NH2 ASP 32.A OD1 no hydrogen 3.264 N/A ARG 563.A NH2 SER 33.A OG no hydrogen 2.698 N/A ARG 563.A NH2 GLU 483.A OE1 no hydrogen 3.137 N/A ARG 563.A NH2 GLU 483.A OE2 no hydrogen 3.228 N/A TYR 565.A N GLY 562.A O no hydrogen 3.106 N/A THR 568.A OG1 VAL 566.A O no hydrogen 3.321 N/A GLN 570.A N GLN 549.A O no hydrogen 2.969 N/A GLN 570.A NE2 GLN 549.A OE1 no hydrogen 3.175 N/A SER 572.A N LYS 547.A O no hydrogen 2.913 N/A CYS 574.A N GLY 545.A O no hydrogen 2.891 N/A CYS 576.A N GLY 633.A O no hydrogen 2.773 N/A SER 577.A N ASP 580.A OD2 no hydrogen 2.931 N/A GLU 579.A N SER 577.A OG no hydrogen 3.107 N/A ASP 580.A N SER 577.A O no hydrogen 3.048 N/A PHE 581.A N LEU 578.A O no hydrogen 3.052 N/A LEU 582.A N ARG 624.A O no hydrogen 2.542 N/A ASP 584.A N GLY 622.A O no hydrogen 2.872 N/A PHE 585.A N ASP 584.A OD1 no hydrogen 2.768 N/A TYR 587.A N ASP 584.A O no hydrogen 3.200 N/A TYR 588.A N VAL 597.A O no hydrogen 2.865 N/A ARG 589.A NH1 LEU 578.A O no hydrogen 3.382 N/A ARG 589.A NH1 SER 594.A O no hydrogen 3.195 N/A ARG 589.A NH2 PHE 581.A O no hydrogen 2.759 N/A SER 594.A N ASN 592.A O no hydrogen 2.637 N/A SER 594.A OG ASP 593.A O no hydrogen 2.446 N/A VAL 597.A N TYR 588.A O no hydrogen 2.668 N/A GLN 599.A N GLY 586.A O no hydrogen 2.844 N/A LEU 607.A N LYS 603.A O no hydrogen 3.236 N/A GLU 608.A N GLY 604.A O no hydrogen 3.119 N/A PHE 609.A N HIS 605.A O no hydrogen 2.826 N/A CYS 610.A N ASP 606.A O no hydrogen 3.067 N/A CYS 610.A SG LEU 644.A O no hydrogen 3.807 N/A LEU 611.A N LEU 607.A O no hydrogen 3.247 N/A TYR 612.A N GLU 608.A O no hydrogen 2.976 N/A ARG 614.A NH2 TRP 245.A O no hydrogen 3.440 N/A HIS 617.A N ARG 614.A O no hydrogen 2.980 N/A LEU 618.A N ARG 614.A O no hydrogen 3.061 N/A LEU 618.A N GLU 615.A O no hydrogen 2.672 N/A THR 619.A N GLU 615.A O no hydrogen 2.749 N/A THR 620.A N LYS 642.A O no hydrogen 2.990 N/A THR 620.A OG1 ASP 584.A OD2 no hydrogen 2.826 N/A ASN 621.A ND2 ARG 639.A O no hydrogen 3.692 N/A GLY 622.A N THR 620.A OG1 no hydrogen 2.633 N/A TYR 623.A N ASN 621.A OD1 no hydrogen 3.178 N/A ARG 624.A N LEU 582.A O no hydrogen 2.820 N/A ARG 624.A NE ASP 289.A OD1 no hydrogen 3.162 N/A ARG 624.A NH2 ASP 289.A OD1 no hydrogen 3.145 N/A LYS 625.A NZ ASP 629.A O no hydrogen 3.292 N/A LYS 625.A NZ CYS 631.A O no hydrogen 3.125 N/A ILE 626.A N ASP 580.A O no hydrogen 2.873 N/A ASP 629.A N ILE 626.A O no hydrogen 2.904 N/A LYS 630.A N LEU 544.A O no hydrogen 2.919 N/A CYS 631.A N ASP 629.A OD1 no hydrogen 3.124 N/A CYS 631.A SG ASP 629.A OD1 no hydrogen 3.273 N/A GLN 632.A N CYS 574.A O no hydrogen 3.157 N/A VAL 635.A N CYS 576.A O no hydrogen 2.890 N/A ARG 639.A NH1 CYS 596.A O no hydrogen 2.866 N/A LYS 642.A N THR 620.A O no hydrogen 2.958 N/A LEU 644.A N LEU 618.A O no hydrogen 2.829 N/A LYS 645.A NZ CYS 610.A O no hydrogen 3.271 N/A LYS 645.A NZ LEU 611.A O no hydrogen 3.194 N/A LYS 647.A N LEU 644.A O no hydrogen 2.832 N/A LYS 647.A NZ GLN 599.A O no hydrogen 2.685 N/A CYS 648.A N LEU 644.A O no hydrogen 3.431 N/A CYS 648.A SG LEU 644.A O no hydrogen 3.570 N/A THR 649.A N LYS 645.A O no hydrogen 3.127 N/A THR 649.A OG1 LYS 645.A O no hydrogen 2.959 N/A ASN 651.A N CYS 648.A O no hydrogen 3.129 N/A ASN 651.A ND2 CYS 648.A O no hydrogen 2.772 N/A PHE 652.A N THR 649.A O no hydrogen 3.272 N/A