Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ioa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 131.A O no hydrogen 2.519 N/A GLY 4.A N SER 18.A O no hydrogen 2.840 N/A THR 5.A N PRO 2.A O no hydrogen 3.167 N/A THR 5.A OG1 PRO 2.A O no hydrogen 3.157 N/A LEU 7.A N ILE 16.A O no hydrogen 2.921 N/A ALA 10.A N VAL 14.A O no hydrogen 2.695 N/A GLY 13.A N ALA 10.A O no hydrogen 2.868 N/A VAL 14.A N ALA 10.A O no hydrogen 3.073 N/A ILE 16.A N GLY 8.A O no hydrogen 2.925 N/A TYR 17.A N GLN 127.A OE1 no hydrogen 3.323 N/A SER 18.A N THR 5.A O no hydrogen 2.852 N/A SER 18.A OG ALA 1.A O no hydrogen 2.526 N/A SER 18.A OG PRO 2.A O no hydrogen 3.139 N/A SER 19.A OG TRP 36.A O no hydrogen 3.445 N/A SER 19.A OG HIS 131.A NE2 no hydrogen 3.176 N/A TYR 21.A OH LYS 35.A O no hydrogen 2.536 N/A TYR 21.A OH GLN 37.A OE1 no hydrogen 2.811 N/A ARG 24.A NH1 TYR 26.A OH no hydrogen 2.813 N/A SER 25.A OG GLU 40.A OE1 no hydrogen 3.183 N/A ILE 27.A N GLU 30.A O no hydrogen 3.058 N/A MET 32.A N SER 25.A O no hydrogen 2.639 N/A LYS 35.A N PHE 23.A O no hydrogen 2.949 N/A LYS 35.A NZ VAL 22.A O no hydrogen 2.783 N/A GLN 37.A N HIS 34.A O no hydrogen 3.036 N/A GLU 40.A N GLN 37.A O no hydrogen 3.240 N/A PHE 41.A N GLN 37.A O no hydrogen 3.501 N/A ALA 42.A N CYS 38.A O no hydrogen 3.344 N/A ARG 43.A N VAL 39.A O no hydrogen 2.942 N/A ARG 43.A NE PHE 54.A O no hydrogen 2.981 N/A ARG 43.A NH1 MET 32.A O no hydrogen 2.592 N/A ARG 43.A NH2 PHE 54.A O no hydrogen 2.912 N/A ARG 43.A NH2 THR 55.A O no hydrogen 2.634 N/A ARG 44.A N GLU 40.A O no hydrogen 2.946 N/A ARG 44.A NE GLU 40.A OE1 no hydrogen 2.520 N/A ARG 44.A NH1 ALA 15.A O no hydrogen 2.970 N/A ARG 44.A NH2 ALA 15.A O no hydrogen 3.384 N/A ARG 44.A NH2 GLU 40.A OE1 no hydrogen 3.327 N/A ARG 44.A NH2 GLU 40.A OE2 no hydrogen 2.945 N/A PHE 45.A N PHE 41.A O no hydrogen 2.625 N/A LEU 46.A N ALA 42.A O no hydrogen 3.143 N/A PHE 47.A N ARG 43.A O no hydrogen 2.870 N/A LEU 48.A N ARG 44.A O no hydrogen 2.800 N/A ASN 49.A N PHE 45.A O no hydrogen 3.194 N/A TYR 50.A N LEU 46.A O no hydrogen 2.855 N/A GLY 51.A N PHE 47.A O no hydrogen 2.909 N/A VAL 52.A N LEU 46.A O no hydrogen 3.435 N/A VAL 53.A N ARG 70.A O no hydrogen 2.989 N/A MET 59.A N GLU 62.A OE1 no hydrogen 2.764 N/A TRP 61.A N THR 108.A O no hydrogen 3.177 N/A GLU 62.A N MET 59.A O no hydrogen 3.039 N/A ILE 63.A N ALA 60.A O no hydrogen 2.803 N/A SER 65.A N GLU 62.A O no hydrogen 3.093 N/A LEU 66.A N ILE 63.A O no hydrogen 3.349 N/A ARG 67.A NE LEU 178.A O no hydrogen 3.285 N/A ARG 67.A NH1 PHE 64.A O no hydrogen 3.061 N/A ARG 67.A NH1 LEU 66.A O no hydrogen 3.027 N/A ARG 67.A NH2 LEU 178.A O no hydrogen 3.218 N/A ARG 67.A NH2 PRO 179.A O no hydrogen 3.375 N/A LEU 69.A N LEU 78.A O no hydrogen 2.669 N/A ARG 70.A N VAL 53.A O no hydrogen 2.828 N/A ARG 70.A NE ASP 75.A OD2 no hydrogen 3.131 N/A ARG 70.A NH1 GLU 30.A OE2 no hydrogen 2.809 N/A ARG 70.A NH2 GLU 30.A OE1 no hydrogen 2.898 N/A ARG 70.A NH2 GLU 30.A OE2 no hydrogen 3.273 N/A ARG 70.A NH2 ASP 75.A OD2 no hydrogen 3.222 N/A GLU 71.A N ASN 76.A O no hydrogen 2.599 N/A VAL 72.A N GLY 51.A O no hydrogen 3.143 N/A ASN 74.A ND2 GLU 71.A O no hydrogen 2.902 N/A ASN 76.A N GLU 71.A O no hydrogen 3.211 N/A ASN 76.A ND2 GLU 71.A OE2 no hydrogen 3.247 N/A LEU 78.A N LEU 69.A O no hydrogen 2.635 N/A LEU 80.A N ARG 67.A O no hydrogen 3.348 N/A GLN 81.A N ILE 169.A O no hydrogen 2.908 N/A GLN 81.A NE2 THR 171.A O no hydrogen 3.247 N/A PHE 83.A N TRP 167.A O no hydrogen 2.811 N/A ASN 85.A N LEU 165.A O no hydrogen 3.099 N/A ASN 85.A ND2 LEU 155.A O no hydrogen 3.060 N/A ASN 85.A ND2 ILE 164.A O no hydrogen 3.681 N/A ARG 89.A N SER 87.A OG no hydrogen 3.078 N/A VAL 92.A N ALA 90.A O no hydrogen 2.848 N/A GLY 94.A N ILE 114.A O no hydrogen 2.626 N/A ALA 95.A N VAL 92.A O no hydrogen 3.390 N/A LEU 96.A N MET 168.A O no hydrogen 3.182 N/A LEU 97.A N ALA 112.A O no hydrogen 2.678 N/A ILE 98.A N GLY 166.A O no hydrogen 2.795 N/A TRP 99.A N HIS 110.A O no hydrogen 2.707 N/A ASP 100.A N THR 163.A O no hydrogen 2.987 N/A LYS 101.A N ASP 100.A OD2 no hydrogen 2.736 N/A GLY 102.A N PHE 105.A O no hydrogen 3.291 N/A GLU 104.A N ASP 161.A OD2 no hydrogen 3.103 N/A THR 108.A OG1 GLY 109.A O no hydrogen 3.152 N/A HIS 110.A N TRP 99.A O no hydrogen 3.172 N/A ALA 112.A N LEU 97.A O no hydrogen 2.969 N/A ILE 113.A N ALA 125.A O no hydrogen 3.012 N/A ILE 114.A N ALA 95.A O no hydrogen 3.085 N/A THR 115.A N ARG 123.A O no hydrogen 2.666 N/A THR 115.A OG1 ARG 123.A O no hydrogen 3.306 N/A GLN 116.A N ARG 123.A O no hydrogen 3.232 N/A HIS 118.A N LYS 121.A O no hydrogen 2.925 N/A LYS 121.A NZ GLU 143.A OE2 no hydrogen 2.661 N/A VAL 122.A N LEU 144.A O no hydrogen 3.137 N/A ARG 123.A N GLN 116.A O no hydrogen 2.616 N/A ARG 123.A NE GLU 143.A OE2 no hydrogen 3.039 N/A ARG 123.A NH2 GLU 143.A OE2 no hydrogen 3.454 N/A ILE 124.A N ARG 142.A O no hydrogen 3.042 N/A ALA 125.A N ILE 113.A O no hydrogen 2.807 N/A GLN 127.A NE2 GLN 37.A O no hydrogen 3.521 N/A GLN 127.A NE2 GLU 40.A OE2 no hydrogen 2.645 N/A LEU 134.A N LEU 7.A O no hydrogen 2.671 N/A GLN 138.A N PRO 135.A O no hydrogen 2.715 N/A THR 141.A N ILE 124.A O no hydrogen 2.758 N/A THR 141.A OG1 ILE 124.A O no hydrogen 3.057 N/A ARG 142.A N ILE 124.A O no hydrogen 3.329 N/A ARG 142.A NE GLU 126.A OE1 no hydrogen 2.748 N/A ARG 142.A NH1 ASP 157.A OD1 no hydrogen 3.242 N/A ARG 142.A NH2 ASP 157.A OD1 no hydrogen 3.489 N/A LEU 144.A N VAL 122.A O no hydrogen 2.940 N/A MET 146.A N ASN 120.A O no hydrogen 3.131 N/A VAL 147.A N THR 154.A O no hydrogen 3.038 N/A GLU 149.A N CYS 152.A O no hydrogen 3.048 N/A CYS 152.A SG ASN 150.A O no hydrogen 3.462 N/A TYR 153.A N SER 87.A O no hydrogen 3.065 N/A THR 154.A N VAL 147.A O no hydrogen 3.156 N/A LEU 155.A N ASN 85.A OD1 no hydrogen 2.704 N/A LYS 156.A N GLU 145.A O no hydrogen 2.977 N/A LYS 156.A NZ GLU 145.A OE2 no hydrogen 3.449 N/A PHE 159.A N ASP 157.A OD2 no hydrogen 3.164 N/A THR 162.A OG1 ASP 157.A OD2 no hydrogen 2.619 N/A THR 162.A OG1 PHE 159.A O no hydrogen 3.461 N/A GLY 166.A N ILE 98.A O no hydrogen 3.434 N/A TRP 167.A N PHE 83.A O no hydrogen 3.140 N/A MET 168.A N LEU 96.A O no hydrogen 2.904 N/A ILE 169.A N GLN 81.A O no hydrogen 3.081 N/A GLN 170.A NE2 PRO 79.A O no hydrogen 3.158 N/A ASP 173.A N THR 171.A OG1 no hydrogen 3.262 N/A SER 177.A N THR 174.A O no hydrogen 2.886 N/A SER 177.A OG GLN 81.A OE1 no hydrogen 3.487 N/A SER 177.A OG THR 174.A O no hydrogen 2.392 N/A LEU 178.A N ALA 82.A O no hydrogen 3.181 N/A LEU 187.A N ALA 184.A O no hydrogen 2.575 N/A LEU 188.A N GLY 185.A O no hydrogen 2.744 N/A SER 191.A N THR 233.A O no hydrogen 3.074 N/A ALA 193.A N TYR 231.A O no hydrogen 2.983 N/A ARG 194.A NH1 ASP 227.A OD2 no hydrogen 3.028 N/A LEU 195.A N TYR 229.A O no hydrogen 2.927 N/A LYS 198.A N GLN 200.A OE1 no hydrogen 2.816 N/A GLY 199.A N ASN 197.A OD1 no hydrogen 2.817 N/A GLN 200.A N GLN 200.A OE1 no hydrogen 2.640 N/A GLN 200.A NE2 GLU 196.A O no hydrogen 3.138 N/A PHE 201.A N TYR 229.A OH no hydrogen 2.956 N/A ASP 202.A N GLY 199.A O no hydrogen 3.212 N/A LYS 204.A NZ GLU 208.A OE2 no hydrogen 2.804 N/A TRP 205.A N GLY 203.A O no hydrogen 3.102 N/A LEU 206.A N GLN 222.A OE1 no hydrogen 2.832 N/A LYS 209.A N ASP 207.A OD2 no hydrogen 2.447 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 3.030 N/A LEU 212.A N ASP 210.A OD2 no hydrogen 2.919 N/A GLN 213.A NE2 ASP 210.A OD1 no hydrogen 2.803 N/A ASN 214.A N ASP 210.A O no hydrogen 3.037 N/A ASN 214.A ND2 GLU 208.A O no hydrogen 3.270 N/A ALA 215.A N PRO 211.A O no hydrogen 3.014 N/A TYR 216.A N LEU 212.A O no hydrogen 3.195 N/A TYR 216.A OH VAL 223.A O no hydrogen 2.854 N/A VAL 217.A N GLN 213.A O no hydrogen 2.694 N/A GLN 218.A N ASN 214.A O no hydrogen 2.698 N/A ALA 219.A N TYR 216.A O no hydrogen 2.992 N/A ASN 220.A N TYR 216.A O no hydrogen 2.906 N/A GLY 221.A N VAL 217.A O no hydrogen 2.461 N/A GLN 222.A NE2 LEU 206.A O no hydrogen 2.855 N/A VAL 223.A N GLY 221.A O no hydrogen 2.544 N/A ASN 225.A ND2 ASP 227.A O no hydrogen 2.864 N/A TYR 229.A N ASP 227.A OD1 no hydrogen 2.876 N/A HIS 230.A N ASP 227.A O no hydrogen 3.254 N/A HIS 230.A NE2 ASP 548.A OD2 no hydrogen 3.074 N/A TYR 231.A N ALA 193.A O no hydrogen 3.046 N/A TYR 232.A N PRO 584.A O no hydrogen 3.078 N/A TYR 232.A OH VAL 547.A O no hydrogen 2.699 N/A THR 233.A N SER 191.A O no hydrogen 2.794 N/A THR 233.A OG1 SER 191.A O no hydrogen 3.430 N/A ILE 234.A N ILE 586.A O no hydrogen 3.229 N/A THR 235.A OG1 LEU 187.A O no hydrogen 2.758 N/A GLU 236.A N VAL 588.A O no hydrogen 2.779 N/A ALA 238.A N THR 235.A O no hydrogen 2.692 N/A ALA 238.A N THR 235.A OG1 no hydrogen 2.961 N/A GLU 239.A N THR 235.A O no hydrogen 2.939 N/A GLN 240.A N GLU 236.A O no hydrogen 2.983 N/A GLU 241.A N SER 237.A O no hydrogen 3.130 N/A LEU 242.A N ALA 238.A O no hydrogen 2.866 N/A ILE 243.A N GLU 239.A O no hydrogen 2.796 N/A LYS 244.A N GLN 240.A O no hydrogen 2.944 N/A LYS 244.A NZ SER 65.A O no hydrogen 3.120 N/A LYS 244.A NZ GLN 180.A OE1 no hydrogen 3.216 N/A ALA 245.A N GLU 241.A O no hydrogen 2.945 N/A THR 246.A N LEU 242.A O no hydrogen 2.966 N/A THR 246.A OG1 LEU 242.A O no hydrogen 2.892 N/A THR 246.A OG1 THR 556.A OG1 no hydrogen 2.880 N/A ASN 247.A N ILE 243.A O no hydrogen 3.201 N/A GLU 248.A N LYS 244.A O no hydrogen 3.139 N/A LEU 249.A N ALA 245.A O no hydrogen 2.865 N/A HIS 250.A N THR 246.A O no hydrogen 3.096 N/A HIS 250.A ND1 TYR 310.A OH no hydrogen 2.725 N/A MET 252.A N GLU 248.A O no hydrogen 3.135 N/A TYR 253.A N LEU 249.A O no hydrogen 2.774 N/A LEU 254.A N HIS 250.A O no hydrogen 2.867 N/A HIS 255.A N LEU 251.A O no hydrogen 2.809 N/A ALA 256.A N MET 252.A O no hydrogen 2.868 N/A THR 257.A N TYR 253.A O no hydrogen 2.884 N/A THR 257.A OG1 TYR 253.A O no hydrogen 2.967 N/A ASP 258.A N LEU 254.A O no hydrogen 2.958 N/A LYS 259.A N HIS 255.A O no hydrogen 3.137 N/A VAL 260.A N ALA 256.A O no hydrogen 2.949 N/A LEU 261.A N THR 257.A O no hydrogen 2.967 N/A LYS 262.A N LYS 259.A O no hydrogen 3.322 N/A LYS 262.A NZ ASP 258.A OD2 no hydrogen 2.799 N/A ASP 263.A N VAL 260.A O no hydrogen 3.133 N/A ASN 265.A N ASP 263.A OD2 no hydrogen 2.925 N/A LEU 266.A N ASP 263.A O no hydrogen 2.838 N/A LEU 267.A N ASP 263.A O no hydrogen 3.047 N/A ALA 268.A N ASP 264.A O no hydrogen 2.864 N/A LEU 269.A N LEU 266.A O no hydrogen 2.913 N/A PHE 270.A N LEU 267.A O no hydrogen 3.412 N/A LEU 276.A N PRO 273.A O no hydrogen 2.846 N/A TRP 277.A N LYS 274.A O no hydrogen 2.963 N/A TRP 277.A NE1 ILE 272.A O no hydrogen 3.181 N/A ARG 279.A N LEU 276.A O no hydrogen 2.767 N/A LEU 280.A N LEU 276.A O no hydrogen 2.926 N/A ARG 281.A N TRP 277.A O no hydrogen 3.087 N/A ARG 281.A NE LEU 261.A O no hydrogen 2.773 N/A ARG 281.A NH1 ASP 264.A OD2 no hydrogen 3.505 N/A ARG 281.A NH2 LEU 261.A O no hydrogen 3.241 N/A ARG 281.A NH2 ASP 264.A OD2 no hydrogen 2.708 N/A LEU 282.A N PRO 278.A O no hydrogen 3.308 N/A SER 283.A N ARG 279.A O no hydrogen 3.125 N/A TRP 284.A N LEU 280.A O no hydrogen 2.896 N/A TRP 284.A NE1 ASP 258.A OD1 no hydrogen 3.181 N/A GLN 285.A N ARG 281.A O no hydrogen 2.989 N/A ARG 286.A N LEU 282.A O no hydrogen 2.878 N/A ARG 287.A N SER 283.A O no hydrogen 2.702 N/A ARG 287.A NE HIS 290.A ND1 no hydrogen 2.657 N/A ARG 287.A NH1 VAL 457.A O no hydrogen 2.907 N/A ARG 287.A NH2 VAL 457.A O no hydrogen 2.644 N/A ARG 288.A NE ASP 75.A OD1 no hydrogen 2.403 N/A ARG 288.A NH1 ARG 288.A O no hydrogen 3.235 N/A ARG 288.A NH2 ASP 75.A OD1 no hydrogen 2.384 N/A ARG 288.A NH2 ASP 75.A OD2 no hydrogen 2.618 N/A HIS 290.A N ARG 287.A O no hydrogen 2.934 N/A ILE 292.A N GLU 459.A OE1 no hydrogen 3.135 N/A ILE 292.A N GLU 459.A OE2 no hydrogen 2.959 N/A THR 293.A N GLU 459.A OE1 no hydrogen 3.099 N/A THR 293.A OG1 THR 558.A O no hydrogen 2.851 N/A GLY 294.A N THR 558.A O no hydrogen 2.880 N/A ARG 295.A N ASN 311.A O no hydrogen 3.258 N/A ARG 295.A NH1 SER 316.A O no hydrogen 2.925 N/A ARG 295.A NH2 ASP 297.A OD1 no hydrogen 3.454 N/A MET 296.A N THR 556.A O no hydrogen 2.704 N/A ASP 297.A N GLU 309.A O no hydrogen 3.055 N/A PHE 298.A N VAL 554.A O no hydrogen 2.720 N/A CYS 299.A N LYS 306.A O no hydrogen 2.874 N/A CYS 299.A SG CYS 543.A O no hydrogen 3.929 N/A ASP 301.A N GLY 304.A O no hydrogen 3.258 N/A ARG 303.A N ASP 301.A OD2 no hydrogen 3.058 N/A ARG 303.A NE ASP 301.A OD1 no hydrogen 2.652 N/A ARG 303.A NE ASP 301.A OD2 no hydrogen 3.118 N/A ARG 303.A NH2 ASP 301.A OD1 no hydrogen 2.683 N/A ARG 303.A NH2 CYS 543.A O no hydrogen 2.487 N/A GLY 304.A N ASP 301.A O no hydrogen 2.631 N/A LYS 306.A N CYS 299.A O no hydrogen 3.026 N/A LYS 306.A NZ ARG 483.A O no hydrogen 2.926 N/A LYS 306.A NZ LEU 485.A O no hydrogen 2.706 N/A VAL 307.A N TYR 484.A O no hydrogen 3.161 N/A TYR 308.A N ASP 297.A O no hydrogen 2.573 N/A TYR 308.A OH TRP 542.A O no hydrogen 2.883 N/A TYR 310.A OH HIS 250.A ND1 no hydrogen 2.725 N/A TYR 310.A OH THR 558.A OG1 no hydrogen 2.765 N/A ASN 311.A N ARG 295.A O no hydrogen 2.859 N/A ASN 311.A ND2 ARG 295.A O no hydrogen 3.376 N/A ASN 311.A ND2 GLU 309.A OE2 no hydrogen 3.347 N/A ALA 312.A N TYR 310.A O no hydrogen 2.975 N/A SER 316.A OG GLU 370.A OE2 no hydrogen 2.832 N/A GLU 320.A N GLU 320.A OE2 no hydrogen 2.999 N/A ALA 321.A N CYS 317.A O no hydrogen 2.924 N/A GLY 322.A N HIS 318.A O no hydrogen 2.883 N/A LEU 323.A N THR 319.A O no hydrogen 2.836 N/A ILE 324.A N THR 319.A O no hydrogen 3.099 N/A LEU 325.A N GLU 320.A O no hydrogen 2.971 N/A GLU 326.A N LEU 323.A O no hydrogen 3.003 N/A ARG 327.A N LEU 323.A O no hydrogen 3.080 N/A ARG 327.A NH1 GLN 213.A OE1 no hydrogen 3.487 N/A TRP 328.A N ILE 324.A O no hydrogen 2.739 N/A TRP 328.A NE1 PRO 228.A O no hydrogen 3.047 N/A ALA 329.A N LEU 325.A O no hydrogen 3.164 N/A GLU 330.A N GLU 326.A O no hydrogen 3.027 N/A GLN 331.A N TRP 328.A O no hydrogen 2.983 N/A GLY 332.A N TRP 328.A O no hydrogen 2.762 N/A TYR 333.A N ALA 329.A O no hydrogen 2.874 N/A GLY 337.A N TYR 333.A OH no hydrogen 3.110 N/A PHE 338.A N VAL 587.A O no hydrogen 3.091 N/A ASN 339.A ND2 ALA 321.A O no hydrogen 3.129 N/A ASN 339.A ND2 GLU 326.A OE2 no hydrogen 2.517 N/A ALA 341.A N ASN 339.A OD1 no hydrogen 2.989 N/A GLU 342.A N ASN 339.A O no hydrogen 3.125 N/A LEU 344.A N ALA 341.A O no hydrogen 3.114 N/A GLU 347.A N GLY 343.A O no hydrogen 3.192 N/A LEU 348.A N LEU 344.A O no hydrogen 3.014 N/A LEU 348.A N ILE 345.A O no hydrogen 2.972 N/A ALA 349.A N ILE 345.A O no hydrogen 2.919 N/A GLY 350.A N ASN 346.A O no hydrogen 2.942 N/A ALA 351.A N GLU 347.A O no hydrogen 3.340 N/A TRP 352.A N LEU 348.A O no hydrogen 3.089 N/A LYS 353.A N ALA 349.A O no hydrogen 2.784 N/A HIS 354.A N GLY 350.A O no hydrogen 3.229 N/A SER 355.A N TRP 352.A O no hydrogen 2.821 N/A SER 355.A OG TRP 352.A O no hydrogen 2.580 N/A ALA 357.A N SER 355.A OG no hydrogen 3.399 N/A ARG 358.A NH2 GLU 454.A O no hydrogen 3.156 N/A VAL 361.A N GLU 388.A O no hydrogen 2.624 N/A HIS 362.A N CYS 412.A O no hydrogen 2.763 N/A HIS 362.A NE2 ASP 404.A OD1 no hydrogen 2.761 N/A ILE 363.A N ARG 390.A O no hydrogen 2.894 N/A MET 364.A N TRP 414.A O no hydrogen 2.817 N/A GLN 365.A N LEU 392.A O no hydrogen 2.915 N/A GLN 365.A NE2 ASP 366.A O no hydrogen 2.715 N/A ASP 366.A N GLU 371.A OE1 no hydrogen 3.372 N/A LYS 367.A N ASP 366.A OD1 no hydrogen 2.364 N/A ASN 372.A N ASP 368.A O no hydrogen 3.029 N/A TYR 373.A N GLU 370.A O no hydrogen 3.118 N/A TYR 373.A OH GLU 320.A OE1 no hydrogen 2.736 N/A HIS 374.A N GLU 370.A O no hydrogen 3.066 N/A ALA 375.A N GLU 371.A O no hydrogen 2.872 N/A PHE 377.A N TYR 373.A O no hydrogen 2.964 N/A PHE 377.A N HIS 374.A O no hydrogen 2.868 N/A MET 378.A N HIS 374.A O no hydrogen 2.929 N/A GLU 379.A N ALA 375.A O no hydrogen 2.863 N/A GLN 380.A N GLN 376.A O no hydrogen 3.265 N/A ALA 381.A N MET 378.A O no hydrogen 3.117 N/A LEU 382.A N MET 378.A O no hydrogen 3.197 N/A HIS 383.A N GLU 379.A O no hydrogen 3.007 N/A GLN 384.A N GLN 380.A O no hydrogen 3.319 N/A ALA 385.A N ALA 381.A O no hydrogen 3.076 N/A GLY 386.A N HIS 383.A O no hydrogen 3.239 N/A PHE 387.A N LEU 382.A O no hydrogen 2.723 N/A GLU 388.A N PRO 359.A O no hydrogen 3.222 N/A THR 389.A OG1 GLU 379.A OE1 no hydrogen 2.880 N/A THR 389.A OG1 HIS 383.A NE2 no hydrogen 2.811 N/A ARG 390.A NE GLU 397.A OE1 no hydrogen 2.281 N/A ARG 390.A NH2 GLU 397.A OE1 no hydrogen 2.545 N/A LEU 392.A N ILE 363.A O no hydrogen 2.651 N/A GLY 394.A N GLN 365.A O no hydrogen 2.883 N/A LEU 398.A N LEU 395.A O no hydrogen 2.684 N/A GLY 399.A N ILE 403.A O no hydrogen 2.920 N/A ILE 403.A N GLY 399.A O no hydrogen 2.655 N/A ASP 404.A N ARG 408.A O no hydrogen 2.863 N/A GLY 405.A N GLU 397.A OE1 no hydrogen 2.951 N/A GLY 407.A N ASP 404.A O no hydrogen 3.381 N/A GLY 407.A N GLY 405.A O no hydrogen 2.489 N/A ARG 408.A N ASP 404.A OD2 no hydrogen 2.633 N/A VAL 410.A N LEU 402.A O no hydrogen 3.050 N/A CYS 412.A SG LEU 456.A O no hydrogen 3.754 N/A VAL 413.A N LEU 456.A O no hydrogen 2.603 N/A TRP 414.A N HIS 362.A O no hydrogen 2.936 N/A LYS 415.A N PHE 458.A O no hydrogen 2.996 N/A LYS 415.A NZ ASP 313.A OD1 no hydrogen 2.905 N/A LYS 415.A NZ TRP 417.A O no hydrogen 3.154 N/A THR 416.A N MET 364.A O no hydrogen 2.937 N/A THR 416.A OG1 GLU 371.A OE1 no hydrogen 2.307 N/A TRP 419.A N ASP 313.A OD1 no hydrogen 3.439 N/A TRP 419.A N ASP 313.A OD2 no hydrogen 3.290 N/A TRP 419.A NE1 GLU 459.A O no hydrogen 2.781 N/A THR 421.A N ALA 418.A O no hydrogen 2.900 N/A PHE 423.A N TRP 419.A O no hydrogen 3.012 N/A ASP 424.A N GLU 420.A O no hydrogen 2.992 N/A ASP 424.A N THR 421.A O no hydrogen 3.165 N/A GLN 425.A N THR 421.A O no hydrogen 3.464 N/A ARG 427.A N PHE 423.A O no hydrogen 2.893 N/A ARG 427.A NH1 ASP 271.A O no hydrogen 2.823 N/A ARG 427.A NH2 ASP 271.A O no hydrogen 3.415 N/A ARG 427.A NH2 GLU 420.A OE2 no hydrogen 2.987 N/A GLU 428.A N ASP 424.A O no hydrogen 2.707 N/A ILE 435.A N VAL 433.A O no hydrogen 2.801 N/A ARG 436.A N ASP 448.A OD2 no hydrogen 2.995 N/A ARG 436.A NH2 GLU 443.A O no hydrogen 2.382 N/A GLN 441.A N HIS 439.A ND1 no hydrogen 3.161 N/A ASN 442.A N HIS 439.A O no hydrogen 2.864 N/A GLU 443.A N HIS 439.A ND1 no hydrogen 3.347 N/A ARG 445.A N ASP 448.A OD1 no hydrogen 2.948 N/A ARG 445.A NE ASP 448.A OD1 no hydrogen 2.665 N/A ARG 445.A NH2 PRO 434.A O no hydrogen 3.260 N/A ARG 445.A NH2 ASP 448.A OD1 no hydrogen 3.174 N/A ILE 447.A N GLN 425.A OE1 no hydrogen 2.681 N/A VAL 449.A N LEU 446.A O no hydrogen 2.837 N/A LEU 450.A N LEU 446.A O no hydrogen 3.157 N/A LEU 451.A N ILE 447.A O no hydrogen 3.308 N/A GLU 454.A N GLU 454.A OE1 no hydrogen 2.572 N/A VAL 455.A N ARG 452.A O no hydrogen 3.033 N/A LEU 456.A N ASN 411.A O no hydrogen 2.712 N/A PHE 458.A N VAL 413.A O no hydrogen 2.886 N/A TRP 462.A N SER 283.A OG no hydrogen 3.100 N/A TRP 462.A NE1 ARG 287.A O no hydrogen 2.912 N/A THR 463.A N PRO 460.A O no hydrogen 3.240 N/A THR 463.A OG1 PRO 460.A O no hydrogen 2.890 N/A VAL 464.A N LEU 461.A O no hydrogen 3.357 N/A ILE 465.A N TRP 462.A O no hydrogen 2.847 N/A GLY 467.A N THR 463.A O no hydrogen 3.147 N/A ASN 468.A N ILE 465.A O no hydrogen 3.219 N/A LYS 469.A N ILE 506.A O no hydrogen 2.802 N/A LYS 469.A NZ GLU 309.A OE1 no hydrogen 2.942 N/A ALA 470.A N ASN 468.A OD1 no hydrogen 2.544 N/A ILE 471.A N ASN 468.A O no hydrogen 3.100 N/A LEU 472.A N LYS 469.A O no hydrogen 2.906 N/A LEU 475.A N ILE 471.A O no hydrogen 2.889 N/A TRP 476.A N LEU 472.A O no hydrogen 2.934 N/A SER 477.A N PRO 473.A O no hydrogen 2.936 N/A LEU 478.A N ILE 474.A O no hydrogen 2.906 N/A PHE 479.A N LEU 475.A O no hydrogen 2.896 N/A HIS 482.A N PHE 479.A O no hydrogen 2.975 N/A HIS 482.A NE2 GLU 248.A OE2 no hydrogen 2.571 N/A ARG 483.A NH2 GLU 248.A OE1 no hydrogen 2.557 N/A ARG 483.A NH2 TYR 484.A OH no hydrogen 3.541 N/A TYR 484.A N HIS 482.A ND1 no hydrogen 3.097 N/A TYR 484.A OH GLU 241.A OE2 no hydrogen 2.694 N/A LEU 485.A N HIS 482.A O no hydrogen 3.008 N/A ASP 487.A N GLN 540.A OE1 no hydrogen 3.307 N/A THR 488.A OG1 LEU 486.A O no hydrogen 3.321 N/A ASP 489.A N TYR 538.A O no hydrogen 2.738 N/A PHE 490.A N ASP 489.A OD1 no hydrogen 2.602 N/A ASN 493.A ND2 ASP 489.A OD2 no hydrogen 2.754 N/A LEU 496.A N ASN 493.A O no hydrogen 3.139 N/A LEU 496.A N ASN 493.A OD1 no hydrogen 2.992 N/A VAL 497.A N ASN 493.A O no hydrogen 3.262 N/A VAL 497.A N ASP 494.A O no hydrogen 3.139 N/A LYS 498.A N ASP 494.A O no hydrogen 3.364 N/A THR 499.A OG1 GLU 495.A O no hydrogen 3.189 N/A THR 499.A OG1 LEU 496.A O no hydrogen 3.346 N/A THR 499.A OG1 GLY 500.A O no hydrogen 3.120 N/A GLY 500.A N LEU 496.A O no hydrogen 2.690 N/A TYR 501.A N VAL 517.A O no hydrogen 2.889 N/A ALA 502.A N GLN 539.A O no hydrogen 2.793 N/A VAL 503.A N ASP 515.A O no hydrogen 2.646 N/A LYS 504.A N ILE 537.A O no hydrogen 3.123 N/A LYS 504.A NZ TYR 308.A O no hydrogen 3.381 N/A ILE 506.A N LYS 535.A O no hydrogen 2.952 N/A SER 512.A N ARG 509.A O no hydrogen 3.241 N/A SER 512.A OG ARG 509.A O no hydrogen 2.894 N/A ASN 513.A N SER 528.A O no hydrogen 3.131 N/A ASN 513.A ND2 GLY 529.A O no hydrogen 3.137 N/A ILE 514.A N THR 527.A OG1 no hydrogen 2.773 N/A ASP 515.A N VAL 503.A O no hydrogen 3.184 N/A LEU 516.A N ASP 525.A O no hydrogen 2.963 N/A VAL 517.A N TYR 501.A O no hydrogen 2.874 N/A SER 518.A N GLU 522.A O no hydrogen 2.889 N/A SER 518.A OG GLU 522.A O no hydrogen 3.316 N/A GLU 521.A N SER 518.A O no hydrogen 2.761 N/A GLU 522.A N SER 518.A OG no hydrogen 3.324 N/A LEU 524.A N LEU 516.A O no hydrogen 2.640 N/A LYS 526.A N ASP 525.A OD1 no hydrogen 2.960 N/A THR 527.A OG1 GLY 511.A O no hydrogen 2.908 N/A GLN 534.A N PHE 531.A O no hydrogen 3.328 N/A ILE 537.A N LYS 504.A O no hydrogen 2.766 N/A TYR 538.A N ASP 489.A O no hydrogen 2.651 N/A GLN 539.A N ALA 502.A O no hydrogen 3.087 N/A GLN 540.A N ASP 487.A O no hydrogen 2.683 N/A LEU 541.A N GLY 500.A O no hydrogen 2.796 N/A VAL 547.A N LYS 550.A O no hydrogen 2.815 N/A LYS 550.A N VAL 547.A O no hydrogen 3.442 N/A LYS 550.A NZ GLY 570.A O no hydrogen 3.437 N/A LYS 550.A NZ GLU 583.A OE1 no hydrogen 2.864 N/A TYR 551.A N ASP 571.A O no hydrogen 2.952 N/A ILE 552.A N PRO 545.A O no hydrogen 3.071 N/A GLN 553.A N ARG 569.A O no hydrogen 2.863 N/A VAL 554.A N PHE 298.A O no hydrogen 3.018 N/A CYS 555.A N CYS 567.A O no hydrogen 2.853 N/A CYS 555.A SG ASP 297.A OD1 no hydrogen 2.996 N/A CYS 555.A SG GLN 553.A OE1 no hydrogen 3.345 N/A THR 556.A N MET 296.A O no hydrogen 3.111 N/A THR 556.A OG1 THR 246.A OG1 no hydrogen 2.880 N/A PHE 557.A N GLY 565.A O no hydrogen 2.985 N/A THR 558.A N GLY 294.A O no hydrogen 2.560 N/A THR 558.A OG1 TYR 310.A OH no hydrogen 2.765 N/A VAL 559.A N ASN 562.A O no hydrogen 2.701 N/A GLY 560.A N ILE 292.A O no hydrogen 2.797 N/A ASN 562.A N VAL 559.A O no hydrogen 3.381 N/A TYR 563.A OH GLU 239.A OE1 no hydrogen 3.240 N/A TYR 563.A OH THR 566.A OG1 no hydrogen 2.578 N/A GLY 564.A N PHE 557.A O no hydrogen 2.735 N/A THR 566.A OG1 TYR 563.A OH no hydrogen 2.578 N/A CYS 567.A N CYS 555.A O no hydrogen 2.772 N/A ARG 569.A N GLN 553.A O no hydrogen 3.220 N/A ARG 569.A NH2 SER 580.A O no hydrogen 3.446 N/A GLY 570.A N ASP 581.A O no hydrogen 3.084 N/A ASP 571.A N TYR 551.A O no hydrogen 3.055 N/A SER 573.A N ASP 571.A OD1 no hydrogen 2.960 N/A SER 573.A OG ASP 571.A OD1 no hydrogen 3.028 N/A VAL 575.A N SER 573.A OG no hydrogen 3.236 N/A LYS 577.A N SER 580.A OG no hydrogen 2.766 N/A LYS 577.A NZ VAL 575.A O no hydrogen 2.928 N/A SER 580.A OG ASP 571.A OD2 no hydrogen 2.837 N/A SER 580.A OG LYS 577.A O no hydrogen 3.389 N/A ILE 586.A N TYR 232.A O no hydrogen 2.997 N/A VAL 587.A N PHE 338.A O no hydrogen 2.771 N/A VAL 588.A N ILE 234.A O no hydrogen 2.865 N/A