Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u8p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N VAL 63.A O no hydrogen 2.937 N/A VAL 5.A N ASP 61.A O no hydrogen 2.899 N/A HIS 6.A N THR 14.A O no hydrogen 2.752 N/A GLY 7.A N THR 14.A O no hydrogen 2.889 N/A SER 9.A N VAL 12.A O no hydrogen 2.949 N/A VAL 13.A N ILE 48.A O no hydrogen 2.891 N/A THR 14.A N GLY 7.A O no hydrogen 2.749 N/A ALA 15.A N ALA 46.A O no hydrogen 2.893 N/A CYS 16.A N TYR 4.A O no hydrogen 3.038 N/A CYS 16.A SG TYR 4.A OH no hydrogen 3.297 N/A MET 18.A N ASP 44.A O no hydrogen 2.710 N/A ALA 21.A N MET 18.A O no hydrogen 3.099 N/A ALA 22.A N GLU 25.A OE1 no hydrogen 2.570 N/A TYR 24.A N ILE 38.A O no hydrogen 2.763 N/A LEU 26.A N LYS 68.A O no hydrogen 3.041 N/A VAL 27.A N GLY 36.A O no hydrogen 2.872 N/A ARG 28.A N LEU 64.A O no hydrogen 2.903 N/A ARG 28.A NE GLU 33.A O no hydrogen 3.101 N/A ARG 28.A NH1 GLU 33.A O no hydrogen 3.175 N/A VAL 29.A N LEU 34.A O no hydrogen 2.870 N/A GLY 30.A N PRO 62.A O no hydrogen 2.804 N/A GLU 33.A N GLY 30.A O no hydrogen 2.781 N/A LEU 34.A N VAL 29.A O no hydrogen 2.833 N/A VAL 35.A N GLU 52.A OE1 no hydrogen 3.426 N/A GLY 36.A N VAL 27.A O no hydrogen 2.913 N/A GLU 37.A N GLN 49.A O no hydrogen 2.917 N/A ILE 38.A N GLU 25.A O no hydrogen 3.291 N/A ILE 39.A N THR 47.A O no hydrogen 2.905 N/A ARG 40.A NH1 LEU 341.A O no hydrogen 2.830 N/A GLU 42.A N MET 45.A O no hydrogen 2.886 N/A MET 45.A N GLU 42.A O no hydrogen 2.906 N/A ALA 46.A N ALA 15.A O no hydrogen 2.889 N/A THR 47.A N ARG 40.A O no hydrogen 2.706 N/A ILE 48.A N VAL 13.A O no hydrogen 2.747 N/A GLN 49.A N GLU 37.A O no hydrogen 2.794 N/A VAL 50.A N PRO 11.A O no hydrogen 2.960 N/A TYR 51.A N VAL 35.A O no hydrogen 2.889 N/A THR 54.A OG1 GLY 10.A O no hydrogen 2.819 N/A VAL 57.A N THR 54.A O no hydrogen 3.077 N/A SER 58.A N ASP 61.A OD2 no hydrogen 2.854 N/A GLY 60.A N VAL 5.A O no hydrogen 2.840 N/A ASP 61.A N SER 58.A O no hydrogen 3.053 N/A VAL 63.A N GLY 3.A O no hydrogen 2.861 N/A LEU 64.A N ARG 28.A O no hydrogen 2.901 N/A ARG 65.A N THR 1.A O no hydrogen 3.089 N/A THR 66.A N LEU 26.A O no hydrogen 2.848 N/A VAL 72.A N TRP 193.A O no hydrogen 3.179 N/A LEU 74.A N GLN 191.A O no hydrogen 2.851 N/A GLY 77.A N GLU 142.A OE2 no hydrogen 2.673 N/A ILE 78.A N GLY 75.A O no hydrogen 3.347 N/A GLY 80.A N THR 285.A O no hydrogen 2.693 N/A PHE 83.A N LEU 287.A O no hydrogen 3.037 N/A ASP 84.A N ARG 88.A O no hydrogen 2.760 N/A ILE 86.A N ASP 84.A OD2 no hydrogen 3.489 N/A GLN 87.A N ASP 84.A O no hydrogen 2.784 N/A ARG 88.A NE ASP 84.A OD2 no hydrogen 3.227 N/A ARG 88.A NH1 ASP 84.A OD2 no hydrogen 2.766 N/A LEU 90.A N ILE 82.A O no hydrogen 2.828 N/A ILE 93.A N PRO 89.A O no hydrogen 2.999 N/A SER 94.A N LEU 90.A O no hydrogen 2.913 N/A SER 95.A N SER 91.A O no hydrogen 2.906 N/A GLN 96.A N ASP 92.A O no hydrogen 2.804 N/A THR 97.A N ILE 93.A O no hydrogen 2.841 N/A THR 97.A OG1 ILE 93.A O no hydrogen 3.001 N/A GLN 98.A N SER 94.A O no hydrogen 2.679 N/A GLN 98.A NE2 SER 95.A O no hydrogen 2.411 N/A TYR 101.A N SER 99.A OG no hydrogen 3.360 N/A ARG 104.A NH2 GLU 53.A O no hydrogen 2.833 N/A GLY 105.A N GLU 52.A OE2 no hydrogen 2.942 N/A SER 109.A OG LEU 111.A O no hydrogen 2.765 N/A ALA 110.A N GLU 73.A OE2 no hydrogen 3.140 N/A LEU 111.A N GLU 73.A OE1 no hydrogen 3.480 N/A SER 112.A OG ASP 114.A OD2 no hydrogen 2.872 N/A ARG 113.A NE LEU 111.A O no hydrogen 3.183 N/A ARG 113.A NH1 LEU 111.A O no hydrogen 2.986 N/A ARG 113.A NH2 THR 171.A O no hydrogen 3.288 N/A TRP 117.A N TYR 169.A O no hydrogen 2.827 N/A PHE 119.A N GLY 167.A O no hydrogen 2.862 N/A SER 122.A N TYR 137.A O no hydrogen 3.313 N/A LYS 123.A NZ ASN 124.A OD1 no hydrogen 3.233 N/A ASN 124.A N SER 122.A O no hydrogen 2.753 N/A GLY 128.A N VAL 160.A O no hydrogen 2.369 N/A SER 129.A N ARG 126.A O no hydrogen 3.040 N/A SER 129.A OG ARG 126.A O no hydrogen 2.747 N/A ILE 131.A N GLY 158.A O no hydrogen 2.824 N/A THR 132.A N ASP 135.A OD2 no hydrogen 2.762 N/A THR 132.A OG1 ASP 135.A OD1 no hydrogen 3.149 N/A THR 132.A OG1 ASP 135.A OD2 no hydrogen 3.157 N/A GLY 134.A N LEU 152.A O no hydrogen 2.695 N/A ASP 135.A N THR 132.A O no hydrogen 3.016 N/A TYR 137.A N ILE 150.A O no hydrogen 3.049 N/A ILE 139.A N THR 120.A O no hydrogen 2.865 N/A ASN 141.A N GLU 118.A O no hydrogen 2.933 N/A ASN 141.A ND2 GLU 118.A OE1 no hydrogen 3.161 N/A LYS 147.A N TYR 318.A OH no hydrogen 3.038 N/A LYS 147.A NZ ASN 141.A OD1 no hydrogen 3.334 N/A ILE 150.A N GLY 138.A O no hydrogen 2.742 N/A LEU 152.A N ASP 135.A O no hydrogen 3.032 N/A ASN 156.A N PRO 153.A O no hydrogen 3.221 N/A GLY 158.A N ILE 131.A O no hydrogen 2.927 N/A THR 159.A N GLU 179.A O no hydrogen 2.892 N/A THR 159.A OG1 SER 129.A O no hydrogen 3.130 N/A VAL 160.A N SER 129.A O no hydrogen 2.737 N/A THR 161.A N GLU 177.A O no hydrogen 2.761 N/A THR 161.A OG1 GLU 177.A O no hydrogen 2.657 N/A TYR 162.A N GLU 177.A O no hydrogen 2.942 N/A ALA 164.A N VAL 175.A O no hydrogen 2.902 N/A GLY 167.A N PHE 119.A O no hydrogen 2.954 N/A TYR 169.A N TRP 117.A O no hydrogen 3.020 N/A TYR 169.A OH PRO 165.A O no hydrogen 2.378 N/A THR 171.A OG1 ASP 170.A O no hydrogen 2.525 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.363 N/A ASP 173.A N ASP 170.A OD1 no hydrogen 3.068 N/A VAL 175.A N PHE 187.A O no hydrogen 3.209 N/A LEU 176.A N PHE 187.A O no hydrogen 2.954 N/A GLU 177.A N TYR 162.A O no hydrogen 2.873 N/A LEU 178.A N GLU 185.A O no hydrogen 2.916 N/A GLU 179.A N THR 159.A O no hydrogen 2.792 N/A PHE 180.A N VAL 183.A O no hydrogen 2.884 N/A GLY 182.A N GLU 179.A OE2 no hydrogen 2.689 N/A VAL 183.A N PHE 180.A O no hydrogen 2.915 N/A LYS 184.A NZ GLU 177.A OE1 no hydrogen 3.135 N/A GLU 185.A N LEU 178.A O no hydrogen 2.891 N/A PHE 187.A N LEU 176.A O no hydrogen 2.850 N/A SER 188.A OG VAL 190.A O no hydrogen 3.555 N/A VAL 190.A N SER 188.A OG no hydrogen 3.162 N/A GLN 191.A N LEU 74.A O no hydrogen 2.868 N/A GLN 191.A NE2 MET 151.A O no hydrogen 2.591 N/A TRP 193.A N VAL 72.A O no hydrogen 3.133 N/A TRP 193.A NE1 GLN 197.A O no hydrogen 2.912 N/A VAL 195.A N LEU 70.A O no hydrogen 3.147 N/A GLN 197.A N PRO 194.A O no hydrogen 3.276 N/A ARG 199.A N GLU 311.A OE1 no hydrogen 3.001 N/A ARG 199.A NE ASP 315.A OD2 no hydrogen 3.086 N/A THR 202.A N LYS 369.A O no hydrogen 2.865 N/A THR 202.A OG1 CYS 370.A O no hydrogen 3.185 N/A GLU 203.A N LYS 369.A O no hydrogen 3.300 N/A LYS 204.A NZ ALA 365.A O no hydrogen 3.166 N/A LEU 205.A N ARG 367.A O no hydrogen 2.797 N/A ASN 208.A ND2 GLU 434.A OE2 no hydrogen 3.275 N/A HIS 209.A ND1 PRO 210.A O no hydrogen 2.831 N/A LEU 211.A N CYS 224.A O no hydrogen 2.855 N/A LEU 212.A N ASN 244.A OD1 no hydrogen 3.004 N/A THR 213.A N ASP 219.A OD1 no hydrogen 2.948 N/A THR 213.A OG1 ASP 219.A OD1 no hydrogen 2.734 N/A GLN 215.A N THR 213.A OG1 no hydrogen 3.122 N/A ARG 216.A N GLN 493.A OE1 no hydrogen 2.847 N/A ARG 216.A NE PHE 490.A O no hydrogen 2.781 N/A ARG 216.A NH1 GLN 492.A O no hydrogen 2.914 N/A ARG 216.A NH1 ASP 500.A OD2 no hydrogen 2.780 N/A ARG 216.A NH2 ASP 500.A OD1 no hydrogen 2.845 N/A ARG 216.A NH2 ASP 500.A OD2 no hydrogen 2.945 N/A ASP 219.A N GLN 215.A O no hydrogen 3.190 N/A ALA 220.A N ARG 216.A O no hydrogen 2.777 N/A LEU 221.A N VAL 217.A O no hydrogen 3.073 N/A CYS 224.A SG VAL 225.A O no hydrogen 3.175 N/A CYS 224.A SG THR 230.A OG1 no hydrogen 3.699 N/A GLN 226.A N HIS 209.A O no hydrogen 2.663 N/A GLN 226.A NE2 ASN 244.A O no hydrogen 2.819 N/A GLY 227.A N THR 381.A OG1 no hydrogen 2.842 N/A GLY 228.A N VAL 225.A O no hydrogen 2.769 N/A THR 229.A OG1 GLY 228.A O no hydrogen 2.792 N/A THR 230.A N ILE 382.A O no hydrogen 2.979 N/A ALA 231.A N VAL 402.A O no hydrogen 2.909 N/A GLN 237.A N VAL 234.A O no hydrogen 3.395 N/A GLN 237.A NE2 VAL 234.A O no hydrogen 3.004 N/A SER 238.A N ILE 235.A O no hydrogen 3.295 N/A SER 238.A OG ILE 235.A O no hydrogen 3.297 N/A LEU 239.A N SER 236.A O no hydrogen 2.822 N/A LYS 241.A N SER 238.A O no hydrogen 2.911 N/A SER 243.A N LEU 239.A O no hydrogen 2.956 N/A SER 243.A OG SER 245.A OG no hydrogen 2.393 N/A SER 245.A OG SER 243.A OG no hydrogen 2.393 N/A SER 245.A OG SER 321.A OG no hydrogen 2.730 N/A ASP 246.A N HIS 319.A O no hydrogen 2.898 N/A VAL 247.A N HIS 319.A O no hydrogen 3.279 N/A ILE 248.A N ARG 284.A O no hydrogen 3.013 N/A ILE 249.A N SER 321.A O no hydrogen 3.495 N/A TYR 250.A N ALA 286.A O no hydrogen 2.919 N/A VAL 251.A N MET 323.A O no hydrogen 2.935 N/A GLY 252.A N VAL 288.A O no hydrogen 2.823 N/A CYS 253.A SG ARG 299.A O no hydrogen 3.309 N/A GLU 255.A N ASN 290.A O no hydrogen 3.234 N/A MET 260.A N ARG 256.A O no hydrogen 2.925 N/A SER 261.A N VAL 257.A O no hydrogen 2.836 N/A GLU 262.A N ASN 258.A O no hydrogen 2.894 N/A VAL 263.A N GLU 259.A O no hydrogen 2.875 N/A LEU 264.A N MET 260.A O no hydrogen 2.843 N/A ARG 265.A N SER 261.A O no hydrogen 2.920 N/A ASP 266.A N GLU 262.A O no hydrogen 2.869 N/A PHE 267.A N VAL 263.A O no hydrogen 2.982 N/A LEU 270.A N ASP 266.A O no hydrogen 2.664 N/A LEU 270.A N PHE 267.A O no hydrogen 2.939 N/A MET 272.A N GLU 279.A O no hydrogen 2.886 N/A VAL 274.A N LYS 277.A O no hydrogen 3.215 N/A GLY 276.A N GLU 273.A OE2 no hydrogen 2.599 N/A LYS 277.A N ASP 275.A OD1 no hydrogen 2.937 N/A GLU 279.A N MET 272.A O no hydrogen 2.926 N/A SER 280.A OG PRO 268.A O no hydrogen 3.049 N/A SER 280.A OG LEU 270.A O no hydrogen 3.292 N/A ILE 281.A N LEU 270.A O no hydrogen 3.028 N/A LYS 283.A N SER 280.A O no hydrogen 3.351 N/A LYS 283.A NZ GLU 279.A OE1 no hydrogen 2.903 N/A LYS 283.A NZ GLU 279.A OE2 no hydrogen 3.390 N/A ARG 284.A N ILE 281.A O no hydrogen 2.574 N/A ARG 284.A NE ASP 246.A O no hydrogen 2.934 N/A THR 285.A OG1 ILE 248.A O no hydrogen 2.645 N/A THR 285.A OG1 ALA 286.A O no hydrogen 3.516 N/A ALA 286.A N ILE 248.A O no hydrogen 2.894 N/A LEU 287.A N ALA 81.A O no hydrogen 3.338 N/A VAL 288.A N TYR 250.A O no hydrogen 2.894 N/A ALA 289.A N PHE 83.A O no hydrogen 3.010 N/A ASN 290.A N GLY 252.A O no hydrogen 2.870 N/A THR 291.A OG1 ASN 293.A OD1 no hydrogen 3.161 N/A ASN 293.A N THR 291.A OG1 no hydrogen 2.947 N/A MET 294.A N THR 291.A O no hydrogen 2.944 N/A ARG 299.A N PRO 295.A O no hydrogen 3.133 N/A ARG 299.A NH2 SER 292.A O no hydrogen 3.038 N/A ARG 299.A NH2 MET 294.A O no hydrogen 2.878 N/A GLU 300.A N VAL 296.A O no hydrogen 3.007 N/A ALA 301.A N ALA 297.A O no hydrogen 2.895 N/A SER 302.A N ALA 298.A O no hydrogen 2.904 N/A SER 302.A N ARG 299.A O no hydrogen 3.197 N/A SER 302.A OG ASN 290.A OD1 no hydrogen 2.994 N/A TYR 304.A OH SER 360.A OG no hydrogen 3.207 N/A THR 305.A N ALA 301.A O no hydrogen 2.911 N/A THR 305.A OG1 GLY 85.A O no hydrogen 2.923 N/A THR 305.A OG1 ALA 301.A O no hydrogen 3.162 N/A GLY 306.A N SER 302.A O no hydrogen 2.921 N/A ILE 307.A N ILE 303.A O no hydrogen 2.925 N/A THR 308.A N TYR 304.A O no hydrogen 2.881 N/A THR 308.A OG1 VAL 195.A O no hydrogen 3.265 N/A THR 308.A OG1 TYR 304.A O no hydrogen 2.621 N/A LEU 309.A N THR 305.A O no hydrogen 2.942 N/A SER 310.A N GLY 306.A O no hydrogen 2.927 N/A SER 310.A OG ILE 307.A O no hydrogen 2.683 N/A GLU 311.A N ILE 307.A O no hydrogen 2.862 N/A TYR 312.A N THR 308.A O no hydrogen 2.900 N/A TYR 312.A OH HIS 148.A NE2 no hydrogen 3.137 N/A PHE 313.A N LEU 309.A O no hydrogen 2.971 N/A ARG 314.A N SER 310.A O no hydrogen 2.897 N/A ARG 314.A NE ASP 315.A OD1 no hydrogen 3.262 N/A ARG 314.A NH1 ARG 199.A O no hydrogen 3.342 N/A ARG 314.A NH1 ASP 315.A OD1 no hydrogen 3.132 N/A ARG 314.A NH2 GLU 311.A OE2 no hydrogen 2.720 N/A ASP 315.A N GLU 311.A O no hydrogen 2.932 N/A MET 316.A N TYR 312.A O no hydrogen 2.959 N/A GLY 317.A N PHE 313.A O no hydrogen 3.311 N/A GLY 317.A N ARG 314.A O no hydrogen 2.804 N/A TYR 318.A N PHE 313.A O no hydrogen 3.204 N/A TYR 318.A OH LYS 147.A O no hydrogen 2.907 N/A VAL 320.A N SER 379.A O no hydrogen 2.641 N/A SER 321.A N VAL 247.A O no hydrogen 3.054 N/A SER 321.A OG SER 245.A OG no hydrogen 2.730 N/A MET 322.A N THR 381.A O no hydrogen 2.914 N/A MET 323.A N ILE 249.A O no hydrogen 3.030 N/A ALA 324.A N VAL 383.A O no hydrogen 3.189 N/A ASN 325.A N VAL 251.A O no hydrogen 2.814 N/A ASN 325.A ND2 CYS 253.A O no hydrogen 2.546 N/A ASN 325.A ND2 GLU 255.A OE1 no hydrogen 3.374 N/A THR 327.A N ALA 385.A O no hydrogen 2.855 N/A THR 327.A OG1 ALA 385.A O no hydrogen 3.127 N/A SER 328.A OG SER 387.A O no hydrogen 2.732 N/A ARG 329.A N SER 326.A O no hydrogen 3.202 N/A ARG 329.A N SER 326.A OG no hydrogen 3.174 N/A TRP 330.A N SER 326.A O no hydrogen 3.449 N/A TRP 330.A NE1 GLU 300.A OE1 no hydrogen 2.563 N/A ALA 331.A N THR 327.A O no hydrogen 2.906 N/A GLU 332.A N SER 328.A O no hydrogen 2.889 N/A ALA 333.A N ARG 329.A O no hydrogen 2.895 N/A LEU 334.A N TRP 330.A O no hydrogen 2.927 N/A ARG 335.A N ALA 331.A O no hydrogen 2.889 N/A ARG 335.A NH2 SER 348.A O no hydrogen 3.049 N/A GLU 336.A N GLU 332.A O no hydrogen 2.950 N/A ILE 337.A N ALA 333.A O no hydrogen 2.953 N/A SER 338.A N LEU 334.A O no hydrogen 2.897 N/A SER 338.A OG LEU 334.A O no hydrogen 3.157 N/A GLY 339.A N ARG 335.A O no hydrogen 2.933 N/A ARG 340.A N GLU 336.A O no hydrogen 2.981 N/A ARG 340.A NH1 GLU 336.A OE2 no hydrogen 2.826 N/A LEU 341.A N ILE 337.A O no hydrogen 2.991 N/A LEU 341.A N SER 338.A O no hydrogen 3.212 N/A GLU 343.A N SER 338.A O no hydrogen 3.146 N/A ALA 346.A N TYR 350.A O no hydrogen 2.675 N/A GLY 349.A N ALA 346.A O no hydrogen 2.864 N/A TYR 350.A N ASP 347.A O no hydrogen 3.032 N/A TYR 353.A OH SER 338.A OG no hydrogen 3.112 N/A LEU 354.A N PRO 351.A O no hydrogen 3.002 N/A ARG 357.A N TYR 353.A O no hydrogen 3.019 N/A LEU 358.A N LEU 354.A O no hydrogen 2.869 N/A ALA 359.A N GLY 355.A O no hydrogen 2.740 N/A SER 360.A N ALA 356.A O no hydrogen 2.677 N/A SER 360.A OG TYR 304.A OH no hydrogen 3.207 N/A SER 360.A OG ARG 357.A O no hydrogen 2.512 N/A PHE 361.A N ARG 357.A O no hydrogen 2.813 N/A PHE 361.A N LEU 358.A O no hydrogen 2.963 N/A TYR 362.A N LEU 358.A O no hydrogen 2.717 N/A TYR 362.A OH THR 230.A O no hydrogen 3.145 N/A GLU 363.A N ALA 359.A O no hydrogen 2.747 N/A ARG 364.A N PHE 361.A O no hydrogen 3.435 N/A ARG 364.A NH1 VAL 195.A O no hydrogen 3.562 N/A ARG 364.A NH1 GLN 197.A O no hydrogen 3.239 N/A ARG 364.A NH2 VAL 195.A O no hydrogen 2.847 N/A ARG 364.A NH2 GLN 197.A O no hydrogen 3.255 N/A GLY 366.A N VAL 380.A O no hydrogen 3.065 N/A ARG 367.A NE PRO 206.A O no hydrogen 3.439 N/A ARG 367.A NH1 PRO 206.A O no hydrogen 2.835 N/A VAL 368.A N GLY 378.A O no hydrogen 2.763 N/A LYS 369.A N GLU 203.A O no hydrogen 2.996 N/A CYS 370.A N ARG 376.A O no hydrogen 3.356 N/A CYS 370.A SG ARG 314.A O no hydrogen 3.203 N/A CYS 370.A SG ASP 315.A O no hydrogen 3.622 N/A CYS 370.A SG VAL 368.A O no hydrogen 3.794 N/A CYS 370.A SG ARG 376.A O no hydrogen 3.344 N/A ARG 376.A NH1 LEU 371.A O no hydrogen 2.843 N/A ARG 376.A NH2 LEU 371.A O no hydrogen 3.195 N/A ARG 376.A NH2 PRO 374.A O no hydrogen 2.833 N/A GLY 378.A N VAL 368.A O no hydrogen 3.098 N/A SER 379.A OG HIS 319.A ND1 no hydrogen 3.268 N/A THR 381.A N VAL 320.A O no hydrogen 2.893 N/A ILE 382.A N GLY 228.A O no hydrogen 3.189 N/A VAL 383.A N MET 322.A O no hydrogen 2.864 N/A ALA 385.A N ALA 324.A O no hydrogen 2.879 N/A VAL 386.A N ILE 232.A O no hydrogen 2.802 N/A SER 387.A OG PRO 388.A O no hydrogen 3.059 N/A SER 394.A N ASP 390.A O no hydrogen 2.717 N/A ALA 395.A N PRO 391.A O no hydrogen 2.906 N/A THR 396.A N VAL 392.A O no hydrogen 2.899 N/A LEU 397.A N THR 393.A O no hydrogen 2.916 N/A GLY 398.A N ALA 395.A O no hydrogen 3.264 N/A ILE 399.A N THR 396.A O no hydrogen 2.865 N/A VAL 400.A N THR 396.A O no hydrogen 2.833 N/A GLN 401.A N GLN 401.A OE1 no hydrogen 2.770 N/A PHE 403.A N TYR 425.A O no hydrogen 2.901 N/A TRP 404.A N ALA 231.A O no hydrogen 2.977 N/A TRP 404.A NE1 PHE 222.A O no hydrogen 2.770 N/A ASP 407.A N SER 418.A O no hydrogen 2.757 N/A LEU 410.A N ASP 407.A OD2 no hydrogen 2.852 N/A ALA 411.A N ASP 407.A O no hydrogen 3.100 N/A GLN 412.A N LYS 408.A O no hydrogen 2.950 N/A ARG 413.A N LYS 409.A O no hydrogen 2.999 N/A LYS 414.A N ALA 411.A O no hydrogen 2.816 N/A HIS 415.A N LEU 410.A O no hydrogen 2.886 N/A HIS 415.A NE2 LYS 487.A O no hydrogen 2.884 N/A SER 418.A OG HIS 415.A O no hydrogen 2.835 N/A VAL 419.A N PRO 417.A O no hydrogen 2.815 N/A ASN 420.A N GLY 405.A O no hydrogen 2.866 N/A ASN 420.A ND2 ASP 407.A OD1 no hydrogen 2.830 N/A TRP 421.A N SER 424.A OG no hydrogen 2.915 N/A LEU 422.A N ASN 420.A OD1 no hydrogen 2.848 N/A ILE 423.A N ASN 420.A OD1 no hydrogen 2.606 N/A TYR 425.A N PHE 403.A O no hydrogen 2.951 N/A TYR 425.A OH VAL 400.A O no hydrogen 2.763 N/A SER 426.A OG PRO 223.A O no hydrogen 2.709 N/A LYS 427.A N GLN 401.A O no hydrogen 2.842 N/A TYR 428.A N SER 426.A OG no hydrogen 3.414 N/A LEU 432.A N TYR 428.A O no hydrogen 3.081 N/A ASP 433.A N MET 429.A O no hydrogen 2.878 N/A TYR 435.A N LEU 432.A O no hydrogen 2.987 N/A TYR 436.A N LEU 432.A O no hydrogen 3.212 N/A ASP 437.A N ASP 433.A O no hydrogen 2.730 N/A LYS 438.A N TYR 435.A O no hydrogen 2.958 N/A HIS 439.A N TYR 435.A O no hydrogen 2.954 N/A HIS 439.A N TYR 436.A O no hydrogen 3.218 N/A HIS 439.A ND1 TYR 435.A O no hydrogen 2.846 N/A PHE 440.A N TYR 436.A O no hydrogen 2.826 N/A THR 441.A OG1 GLU 442.A OE1 no hydrogen 2.699 N/A PHE 443.A N PHE 440.A O no hydrogen 2.790 N/A LEU 446.A N GLU 442.A O no hydrogen 3.267 N/A ARG 447.A N PHE 443.A O no hydrogen 2.747 N/A THR 448.A N VAL 444.A O no hydrogen 2.919 N/A THR 448.A OG1 VAL 444.A O no hydrogen 2.842 N/A LYS 449.A N PRO 445.A O no hydrogen 2.868 N/A ALA 450.A N LEU 446.A O no hydrogen 2.773 N/A LYS 451.A N ARG 447.A O no hydrogen 2.739 N/A LYS 451.A NZ LEU 221.A O no hydrogen 3.079 N/A GLU 452.A N THR 448.A O no hydrogen 2.904 N/A ILE 453.A N LYS 449.A O no hydrogen 2.889 N/A LEU 454.A N ALA 450.A O no hydrogen 3.217 N/A GLN 455.A N LYS 451.A O no hydrogen 3.471 N/A GLN 455.A N GLU 452.A O no hydrogen 2.985 N/A GLN 455.A NE2 GLN 455.A O no hydrogen 2.666 N/A GLU 456.A N GLU 456.A OE1 no hydrogen 2.702 N/A GLU 457.A N ILE 453.A O no hydrogen 3.148 N/A GLU 458.A N LEU 454.A O no hydrogen 3.145 N/A ASP 459.A N GLN 455.A O no hydrogen 3.185 N/A LEU 460.A N GLU 456.A O no hydrogen 2.505 N/A ALA 461.A N GLU 457.A O no hydrogen 2.540 N/A GLU 462.A N GLU 458.A O no hydrogen 2.910 N/A ILE 463.A N ASP 459.A O no hydrogen 3.002 N/A ILE 463.A N LEU 460.A O no hydrogen 2.949 N/A VAL 464.A N LEU 460.A O no hydrogen 2.571 N/A GLN 465.A N ALA 461.A O no hydrogen 3.159 N/A LEU 466.A N ILE 463.A O no hydrogen 2.912 N/A VAL 467.A N ILE 463.A O no hydrogen 3.063 N/A VAL 467.A N VAL 464.A O no hydrogen 2.932 N/A GLY 468.A N VAL 464.A O no hydrogen 2.364 N/A ALA 470.A N VAL 467.A O no hydrogen 3.325 N/A LYS 477.A N ALA 473.A O no hydrogen 2.843 N/A LYS 477.A NZ GLU 474.A OE2 no hydrogen 2.764 N/A ILE 478.A N GLU 474.A O no hydrogen 2.892 N/A THR 479.A N THR 475.A O no hydrogen 2.900 N/A THR 479.A OG1 THR 475.A O no hydrogen 2.812 N/A LEU 480.A N ASP 476.A O no hydrogen 2.888 N/A GLU 481.A N LYS 477.A O no hydrogen 2.953 N/A VAL 482.A N ILE 478.A O no hydrogen 2.861 N/A ALA 483.A N THR 479.A O no hydrogen 2.876 N/A LYS 484.A N LEU 480.A O no hydrogen 2.900 N/A LYS 484.A NZ ASP 488.A OD1 no hydrogen 2.705 N/A LYS 484.A NZ ASP 488.A OD2 no hydrogen 3.054 N/A LEU 485.A N GLU 481.A O no hydrogen 2.864 N/A ILE 486.A N VAL 482.A O no hydrogen 2.883 N/A LYS 487.A N ALA 483.A O no hydrogen 2.869 N/A LYS 487.A NZ ASP 488.A OD1 no hydrogen 2.956 N/A ASP 488.A N LYS 484.A O no hydrogen 2.980 N/A ASP 489.A N LEU 485.A O no hydrogen 2.804 N/A LEU 491.A N ILE 486.A O no hydrogen 2.841 N/A GLN 492.A NE2 ASP 488.A O no hydrogen 3.095 N/A GLN 493.A N PHE 416.A O no hydrogen 2.990 N/A GLN 493.A NE2 GLY 214.A O no hydrogen 2.721 N/A GLN 493.A NE2 ASP 500.A O no hydrogen 2.769 N/A TYR 496.A N ASN 494.A OD1 no hydrogen 2.884 N/A ASP 500.A N THR 497.A O no hydrogen 3.280 N/A ARG 501.A NH2 GLY 495.A O no hydrogen 3.034 N/A CYS 503.A N GLY 214.A O no hydrogen 3.294 N/A CYS 503.A SG PRO 504.A O no hydrogen 3.774 N/A CYS 503.A SG THR 508.A OG1 no hydrogen 3.404 N/A LYS 507.A NZ ASP 500.A OD1 no hydrogen 2.716 N/A LYS 507.A NZ LYS 556.A O no hydrogen 2.823 N/A LYS 507.A NZ LYS 558.A O no hydrogen 2.780 N/A THR 508.A N PRO 504.A O no hydrogen 3.066 N/A THR 508.A OG1 PRO 504.A O no hydrogen 2.785 N/A VAL 509.A N PHE 505.A O no hydrogen 2.831 N/A GLY 510.A N TYR 506.A O no hydrogen 2.901 N/A MET 511.A N LYS 507.A O no hydrogen 3.098 N/A LEU 512.A N THR 508.A O no hydrogen 3.050 N/A SER 513.A N VAL 509.A O no hydrogen 2.802 N/A SER 513.A OG GLY 510.A O no hydrogen 2.676 N/A ASN 514.A N GLY 510.A O no hydrogen 2.941 N/A MET 515.A N MET 511.A O no hydrogen 2.979 N/A ILE 516.A N LEU 512.A O no hydrogen 2.900 N/A ALA 517.A N SER 513.A O no hydrogen 3.020 N/A PHE 518.A N ASN 514.A O no hydrogen 2.858 N/A TYR 519.A N MET 515.A O no hydrogen 2.876 N/A ASP 520.A N ILE 516.A O no hydrogen 2.899 N/A LEU 521.A N ALA 517.A O no hydrogen 2.780 N/A ALA 522.A N PHE 518.A O no hydrogen 3.016 N/A ARG 523.A N TYR 519.A O no hydrogen 2.777 N/A ARG 524.A N ASP 520.A O no hydrogen 2.721 N/A ARG 524.A NH1 GLU 587.A OE1 no hydrogen 2.943 N/A ARG 524.A NH2 LEU 521.A O no hydrogen 2.958 N/A ALA 525.A N LEU 521.A O no hydrogen 2.969 N/A VAL 526.A N ALA 522.A O no hydrogen 2.969 N/A GLU 527.A N ARG 523.A O no hydrogen 2.904 N/A THR 528.A N ARG 524.A O no hydrogen 2.809 N/A THR 528.A OG1 ARG 524.A O no hydrogen 2.745 N/A THR 528.A OG1 GLU 527.A OE2 no hydrogen 3.165 N/A THR 529.A N ALA 525.A O no hydrogen 3.069 N/A THR 529.A OG1 ALA 525.A O no hydrogen 3.094 N/A THR 529.A OG1 VAL 526.A O no hydrogen 3.049 N/A ALA 530.A N GLU 527.A O no hydrogen 3.139 N/A SER 532.A OG ASN 534.A OD1 no hydrogen 2.316 N/A LYS 535.A N SER 532.A O no hydrogen 3.187 N/A ILE 536.A N THR 529.A OG1 no hydrogen 2.972 N/A THR 537.A OG1 SER 539.A OG no hydrogen 2.748 N/A TRP 538.A N GLU 474.A OE1 no hydrogen 2.729 N/A SER 539.A OG THR 537.A OG1 no hydrogen 2.748 N/A ILE 540.A N THR 537.A O no hydrogen 3.089 N/A ILE 540.A N THR 537.A OG1 no hydrogen 3.080 N/A ILE 541.A N THR 537.A O no hydrogen 2.965 N/A ARG 542.A N TRP 538.A O no hydrogen 2.837 N/A GLU 543.A N ILE 540.A O no hydrogen 2.895 N/A HIS 544.A N ILE 540.A O no hydrogen 3.087 N/A MET 545.A N ILE 541.A O no hydrogen 2.885 N/A GLY 546.A N GLU 543.A O no hydrogen 2.996 N/A LEU 549.A N MET 545.A O no hydrogen 2.827 N/A TYR 550.A N GLY 546.A O no hydrogen 3.021 N/A LYS 551.A N GLU 547.A O no hydrogen 2.827 N/A LEU 552.A N ILE 548.A O no hydrogen 2.790 N/A SER 553.A N LEU 549.A O no hydrogen 2.985 N/A SER 553.A OG ASP 489.A OD2 no hydrogen 2.537 N/A SER 554.A N TYR 550.A O no hydrogen 2.809 N/A SER 554.A OG LYS 551.A O no hydrogen 2.582 N/A MET 555.A N LEU 552.A O no hydrogen 3.199 N/A LYS 556.A NZ ASP 489.A OD1 no hydrogen 2.773 N/A PHE 557.A N SER 554.A O no hydrogen 2.924 N/A LYS 558.A NZ ASP 571.A OD1 no hydrogen 3.449 N/A LYS 558.A NZ ASP 571.A OD2 no hydrogen 2.824 N/A ASP 559.A N ASP 563.A OD2 no hydrogen 2.806 N/A VAL 561.A N ASP 559.A OD1 no hydrogen 3.089 N/A LYS 562.A N ASP 559.A O no hydrogen 3.105 N/A LYS 562.A NZ ASP 559.A OD2 no hydrogen 2.753 N/A ASP 563.A N ASP 559.A O no hydrogen 2.730 N/A LYS 567.A NZ ASP 571.A OD2 no hydrogen 2.907 N/A ILE 568.A N GLY 564.A O no hydrogen 2.920 N/A LYS 569.A N GLU 565.A O no hydrogen 2.885 N/A ALA 570.A N ALA 566.A O no hydrogen 2.835 N/A ASP 571.A N LYS 567.A O no hydrogen 2.851 N/A TYR 572.A N ILE 568.A O no hydrogen 2.876 N/A TYR 572.A OH MET 555.A O no hydrogen 2.783 N/A ALA 573.A N LYS 569.A O no hydrogen 2.936 N/A GLN 574.A N ALA 570.A O no hydrogen 2.819 N/A LEU 575.A N ASP 571.A O no hydrogen 2.864 N/A LEU 576.A N TYR 572.A O no hydrogen 2.996 N/A GLU 577.A N ALA 573.A O no hydrogen 3.060 N/A ASP 578.A N GLN 574.A O no hydrogen 3.002 N/A VAL 579.A N LEU 575.A O no hydrogen 2.930 N/A GLN 580.A N LEU 576.A O no hydrogen 2.976 N/A ASN 581.A N GLU 577.A O no hydrogen 2.861 N/A ASN 581.A ND2 GLU 577.A O no hydrogen 2.787 N/A ALA 582.A N ASP 578.A O no hydrogen 2.800 N/A PHE 583.A N VAL 579.A O no hydrogen 2.855 N/A ARG 584.A N GLN 580.A O no hydrogen 2.937 N/A ARG 584.A NH1 ASN 581.A OD1 no hydrogen 2.898 N/A SER 585.A N ASN 581.A O no hydrogen 2.876 N/A SER 585.A OG ASN 581.A O no hydrogen 2.738 N/A LEU 586.A N ALA 582.A O no hydrogen 2.874 N/A GLU 587.A N PHE 583.A O no hydrogen 2.782 N/A