Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ARG 85.A O no hydrogen 3.300 N/A ILE 4.A N ALA 86.A O no hydrogen 2.898 N/A GLY 5.A N VAL 84.A O no hydrogen 2.508 N/A THR 6.A OG1 ARG 3.A O no hydrogen 3.090 N/A LEU 7.A N ARG 3.A O no hydrogen 3.384 N/A LEU 8.A N GLY 5.A O no hydrogen 2.958 N/A GLY 9.A N THR 6.A O no hydrogen 2.655 N/A TRP 10.A NE1 ALA 71.A O no hydrogen 3.211 N/A ASN 11.A N TRP 65.A O no hydrogen 2.708 N/A ASN 11.A ND2 TRP 65.A O no hydrogen 3.470 N/A LEU 13.A N VAL 63.A O no hydrogen 3.013 N/A ARG 19.A N PRO 16.A O no hydrogen 3.006 N/A GLU 22.A N GLU 18.A O no hydrogen 3.320 N/A GLN 24.A N VAL 20.A O no hydrogen 2.890 N/A GLN 24.A NE2 VAL 372.A O no hydrogen 2.507 N/A SER 25.A N GLU 22.A O no hydrogen 3.410 N/A SER 25.A OG GLU 22.A O no hydrogen 3.164 N/A GLU 28.A N SER 33.A OG no hydrogen 2.665 N/A THR 30.A N GLU 28.A O no hydrogen 2.512 N/A SER 33.A N THR 30.A OG1 no hydrogen 3.041 N/A SER 33.A OG SER 26.A O no hydrogen 3.322 N/A SER 33.A OG HIS 373.A NE2 no hydrogen 3.195 N/A TYR 34.A N THR 30.A O no hydrogen 3.091 N/A TYR 34.A OH HIS 366.A O no hydrogen 3.297 N/A ARG 35.A N GLU 31.A O no hydrogen 3.048 N/A ARG 35.A NE GLU 31.A OE1 no hydrogen 2.605 N/A ARG 35.A NH1 GLU 362.A OE1 no hydrogen 3.251 N/A ARG 35.A NH2 GLU 362.A OE1 no hydrogen 3.238 N/A ASN 36.A N GLY 32.A O no hydrogen 2.651 N/A ILE 37.A N SER 33.A O no hydrogen 3.077 N/A PHE 38.A N TYR 34.A O no hydrogen 2.702 N/A ASP 39.A N ARG 35.A O no hydrogen 3.171 N/A ALA 40.A N ASN 36.A O no hydrogen 3.020 N/A LEU 41.A N ILE 37.A O no hydrogen 3.058 N/A LEU 41.A N PHE 38.A O no hydrogen 3.265 N/A ALA 42.A N PHE 38.A O no hydrogen 3.019 N/A HIS 43.A N ASP 39.A O no hydrogen 3.158 N/A LEU 44.A N LEU 41.A O no hydrogen 2.966 N/A VAL 45.A N LEU 41.A O no hydrogen 3.230 N/A VAL 45.A N ALA 42.A O no hydrogen 3.185 N/A GLU 46.A N ALA 42.A O no hydrogen 3.205 N/A GLY 50.A N GLU 46.A O no hydrogen 2.911 N/A HIS 51.A ND1 LEU 49.A O no hydrogen 3.097 N/A ILE 57.A N MET 64.A O no hydrogen 2.966 N/A LYS 59.A N VAL 62.A O no hydrogen 2.969 N/A ASN 61.A N ASN 61.A OD1 no hydrogen 2.472 N/A VAL 63.A N LEU 13.A O no hydrogen 3.377 N/A MET 64.A N ILE 57.A O no hydrogen 2.835 N/A TRP 65.A N ASN 11.A O no hydrogen 3.368 N/A ALA 71.A N LEU 8.A O no hydrogen 2.771 N/A ASN 72.A N ASN 140.A O no hydrogen 2.785 N/A ASN 72.A ND2 GLU 141.A OE1 no hydrogen 3.391 N/A HIS 74.A N ILE 142.A O no hydrogen 2.811 N/A ARG 79.A N PRO 76.A O no hydrogen 3.098 N/A VAL 80.A N GLY 77.A O no hydrogen 3.170 N/A SER 81.A N TRP 78.A O no hydrogen 3.435 N/A ASP 82.A N ARG 79.A O no hydrogen 3.297 N/A PHE 83.A N VAL 80.A O no hydrogen 3.091 N/A SER 88.A N THR 2.A O no hydrogen 2.986 N/A SER 88.A OG HIS 179.A ND1 no hydrogen 2.669 N/A ARG 89.A N ALA 180.A O no hydrogen 2.971 N/A THR 92.A N ILE 178.A O no hydrogen 3.109 N/A THR 92.A OG1 GLU 121.A OE2 no hydrogen 2.503 N/A LEU 94.A N LEU 176.A O no hydrogen 2.953 N/A THR 96.A N ASP 174.A O no hydrogen 2.902 N/A THR 96.A OG1 SER 136.A OG no hydrogen 3.176 N/A THR 96.A OG1 GLY 173.A O no hydrogen 3.212 N/A SER 98.A N PRO 95.A O no hydrogen 2.841 N/A SER 98.A OG PRO 95.A O no hydrogen 2.863 N/A THR 100.A N PRO 159.A O no hydrogen 3.077 N/A LYS 103.A NZ ASP 164.A OD1 no hydrogen 3.091 N/A LYS 103.A NZ ASP 164.A OD2 no hydrogen 3.548 N/A GLY 104.A N ASP 164.A OD1 no hydrogen 3.367 N/A LYS 106.A N ASP 165.A OD1 no hydrogen 2.973 N/A LYS 106.A NZ ASP 110.A OD2 no hydrogen 3.221 N/A GLY 109.A N LYS 106.A O no hydrogen 3.084 N/A ILE 112.A N GLY 109.A O no hydrogen 3.050 N/A VAL 113.A N VAL 149.A O no hydrogen 2.766 N/A ILE 115.A N LEU 160.A O no hydrogen 3.032 N/A PHE 116.A N VAL 151.A O no hydrogen 2.939 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.713 N/A ILE 122.A N MET 119.A O no hydrogen 3.086 N/A VAL 123.A N MET 119.A O no hydrogen 2.918 N/A TRP 129.A NE1 ASP 310.A O no hydrogen 2.784 N/A ALA 130.A N ILE 150.A O no hydrogen 3.135 N/A GLN 131.A N LEU 182.A O no hydrogen 3.115 N/A VAL 132.A N GLY 148.A O no hydrogen 2.820 N/A ARG 133.A N HIS 179.A O no hydrogen 2.844 N/A ARG 133.A NE ASP 82.A O no hydrogen 2.693 N/A ARG 133.A NH1 VAL 132.A O no hydrogen 3.271 N/A ARG 133.A NH2 ASP 82.A O no hydrogen 3.051 N/A MET 134.A N TRP 146.A O no hydrogen 3.020 N/A PHE 135.A N GLU 177.A O no hydrogen 2.826 N/A SER 136.A N ARG 144.A O no hydrogen 2.957 N/A SER 136.A OG VAL 175.A O no hydrogen 3.326 N/A ARG 137.A N VAL 175.A O no hydrogen 2.751 N/A ARG 137.A NH1 GLU 177.A OE2 no hydrogen 2.671 N/A ARG 138.A N GLU 141.A O no hydrogen 2.753 N/A ARG 138.A NE ASP 174.A OD1 no hydrogen 3.088 N/A ARG 138.A NH2 ASP 174.A OD1 no hydrogen 2.835 N/A ILE 142.A N ASN 72.A O no hydrogen 2.977 N/A PHE 143.A N SER 136.A O no hydrogen 3.049 N/A ARG 144.A NE VAL 169.A O no hydrogen 3.390 N/A ARG 144.A NH1 PHE 163.A O no hydrogen 2.758 N/A ARG 144.A NH2 GLY 168.A O no hydrogen 3.559 N/A TRP 146.A N MET 134.A O no hydrogen 2.788 N/A TRP 146.A NE1 ALA 162.A O no hydrogen 2.864 N/A LYS 147.A NZ ASP 82.A OD2 no hydrogen 3.286 N/A LYS 147.A NZ TYR 167.A OH no hydrogen 3.462 N/A GLY 148.A N VAL 132.A O no hydrogen 3.414 N/A VAL 149.A N GLY 111.A O no hydrogen 3.091 N/A ILE 150.A N ALA 130.A O no hydrogen 3.037 N/A VAL 151.A N GLY 114.A O no hydrogen 2.958 N/A THR 152.A OG1 PRO 117.A O no hydrogen 3.559 N/A HIS 153.A N PHE 116.A O no hydrogen 3.121 N/A ASN 155.A N HIS 153.A ND1 no hydrogen 3.312 N/A ASN 155.A ND2 LEU 260.A O no hydrogen 3.194 N/A VAL 156.A N HIS 153.A O no hydrogen 3.072 N/A LEU 160.A N ILE 115.A O no hydrogen 2.964 N/A LEU 161.A N THR 100.A O no hydrogen 3.052 N/A ALA 162.A N VAL 113.A O no hydrogen 2.974 N/A PHE 163.A N VAL 102.A O no hydrogen 3.101 N/A ASP 165.A N ALA 162.A O no hydrogen 3.099 N/A GLY 166.A N PHE 163.A O no hydrogen 3.077 N/A VAL 169.A N PHE 143.A O no hydrogen 2.922 N/A ASP 174.A N ARG 137.A O no hydrogen 2.872 N/A VAL 175.A N ARG 137.A O no hydrogen 3.393 N/A LEU 176.A N LEU 94.A O no hydrogen 2.612 N/A GLU 177.A N PHE 135.A O no hydrogen 2.559 N/A ILE 178.A N THR 92.A O no hydrogen 3.200 N/A HIS 179.A N ARG 133.A O no hydrogen 2.694 N/A HIS 179.A ND1 SER 88.A OG no hydrogen 2.669 N/A ALA 180.A N ALA 90.A O no hydrogen 2.943 N/A ILE 181.A N GLN 131.A O no hydrogen 2.765 N/A LEU 182.A N GLN 131.A O no hydrogen 3.321 N/A GLN 184.A NE2 SER 125.A OG no hydrogen 3.351 N/A GLN 184.A NE2 ASP 310.A OD2 no hydrogen 2.961 N/A THR 185.A OG1 GLN 186.A O no hydrogen 2.777 N/A GLN 186.A NE2 ASP 310.A OD1 no hydrogen 3.039 N/A PHE 187.A N GLY 248.A O no hydrogen 2.896 N/A TYR 191.A OH ASN 244.A OD1 no hydrogen 2.778 N/A THR 192.A N TYR 343.A OH no hydrogen 3.026 N/A THR 192.A OG1 GLN 194.A OE1 no hydrogen 3.396 N/A THR 192.A OG1 ASP 290.A OD2 no hydrogen 3.424 N/A VAL 193.A N GLY 448.A O no hydrogen 3.162 N/A GLN 194.A N GLN 194.A OE1 no hydrogen 2.301 N/A GLN 194.A NE2 GLY 447.A O no hydrogen 3.077 N/A GLY 195.A N THR 192.A OG1 no hydrogen 3.105 N/A LEU 196.A N THR 192.A O no hydrogen 2.758 N/A TYR 197.A N VAL 193.A O no hydrogen 2.714 N/A TYR 197.A OH ASP 390.A OD1 no hydrogen 2.765 N/A TYR 198.A N GLN 194.A O no hydrogen 2.855 N/A TYR 198.A OH GLU 382.A OE2 no hydrogen 2.518 N/A GLN 199.A N GLY 195.A O no hydrogen 2.811 N/A GLN 199.A NE2 ASP 290.A OD1 no hydrogen 2.789 N/A GLY 200.A N LEU 196.A O no hydrogen 3.007 N/A ILE 201.A N LEU 342.A O no hydrogen 2.818 N/A LYS 206.A N GLY 203.A O no hydrogen 3.273 N/A HIS 207.A N TRP 204.A O no hydrogen 2.748 N/A LEU 208.A N TRP 205.A O no hydrogen 3.364 N/A ASP 209.A N LYS 241.A O no hydrogen 3.153 N/A LEU 210.A N ASP 209.A OD1 no hydrogen 2.722 N/A ASP 211.A N LYS 239.A O no hydrogen 2.759 N/A PHE 212.A N ASP 211.A OD1 no hydrogen 2.802 N/A ALA 213.A N TYR 237.A O no hydrogen 2.779 N/A SER 219.A N PRO 215.A O no hydrogen 2.848 N/A ARG 220.A N PRO 216.A O no hydrogen 3.090 N/A ARG 220.A N GLU 217.A O no hydrogen 3.296 N/A ARG 220.A NH2 ARG 563.A O no hydrogen 2.731 N/A VAL 222.A N LYS 218.A O no hydrogen 2.921 N/A GLU 223.A N SER 219.A O no hydrogen 3.076 N/A ALA 224.A N ARG 220.A O no hydrogen 3.198 N/A ALA 224.A N LEU 221.A O no hydrogen 3.073 N/A GLY 225.A N VAL 222.A O no hydrogen 3.024 N/A ALA 226.A N LEU 221.A O no hydrogen 2.977 N/A GLU 229.A N GLU 229.A OE2 no hydrogen 2.865 N/A LEU 230.A N PRO 227.A O no hydrogen 2.963 N/A LEU 231.A N LEU 228.A O no hydrogen 2.903 N/A TYR 232.A N GLU 229.A O no hydrogen 3.487 N/A GLN 236.A N PRO 233.A O no hydrogen 2.991 N/A GLN 236.A NE2 LEU 231.A O no hydrogen 3.263 N/A GLN 236.A NE2 PRO 233.A O no hydrogen 2.822 N/A TYR 237.A N ILE 234.A O no hydrogen 2.925 N/A LEU 238.A N ALA 235.A O no hydrogen 2.929 N/A LYS 239.A N ASP 211.A O no hydrogen 3.039 N/A LYS 239.A NZ GLU 190.A OE1 no hydrogen 2.736 N/A LYS 239.A NZ LEU 240.A O no hydrogen 3.032 N/A LYS 241.A N ASP 209.A O no hydrogen 2.829 N/A ASN 244.A ND2 GLY 340.A O no hydrogen 2.843 N/A THR 245.A OG1 ALA 189.A O no hydrogen 3.215 N/A GLY 246.A N ALA 189.A O no hydrogen 2.765 N/A PHE 247.A N VAL 333.A O no hydrogen 2.837 N/A GLY 249.A N GLY 331.A O no hydrogen 3.015 N/A ILE 250.A N ASP 310.A O no hydrogen 3.006 N/A LEU 251.A N ASP 329.A O no hydrogen 3.137 N/A LEU 252.A N VAL 312.A O no hydrogen 2.788 N/A SER 253.A OG GLU 316.A OE1 no hydrogen 2.781 N/A LYS 255.A N SER 253.A OG no hydrogen 3.207 N/A LYS 255.A NZ LYS 106.A O no hydrogen 3.186 N/A ILE 256.A N SER 253.A O no hydrogen 3.159 N/A LEU 257.A N PRO 254.A O no hydrogen 2.939 N/A LEU 260.A N ILE 256.A O no hydrogen 3.138 N/A LEU 260.A N LEU 257.A O no hydrogen 2.918 N/A GLY 261.A N PRO 258.A O no hydrogen 2.658 N/A LEU 262.A N LEU 257.A O no hydrogen 2.947 N/A HIS 263.A N HIS 263.A ND1 no hydrogen 2.796 N/A GLY 268.A N ASP 318.A OD1 no hydrogen 2.821 N/A VAL 270.A N THR 301.A O no hydrogen 2.795 N/A LEU 271.A N ILE 313.A O no hydrogen 2.932 N/A ALA 272.A N GLY 304.A O no hydrogen 3.329 N/A TYR 273.A N SER 311.A O no hydrogen 3.122 N/A THR 274.A N ALA 272.A O no hydrogen 2.749 N/A ARG 276.A N THR 274.A OG1 no hydrogen 2.875 N/A ARG 276.A NH1 THR 245.A O no hydrogen 2.530 N/A ARG 276.A NH2 THR 245.A O no hydrogen 2.884 N/A LYS 278.A N GLU 281.A OE1 no hydrogen 2.823 N/A GLY 280.A N TYR 302.A O no hydrogen 2.781 N/A GLU 281.A N LYS 278.A O no hydrogen 3.026 N/A ARG 282.A NE GLU 299.A OE2 no hydrogen 3.298 N/A ARG 282.A NH1 THR 301.A OG1 no hydrogen 3.003 N/A VAL 283.A N LEU 300.A O no hydrogen 2.919 N/A ILE 284.A N PHE 334.A O no hydrogen 2.763 N/A PHE 285.A N VAL 298.A O no hydrogen 2.781 N/A ASN 286.A N TYR 332.A O no hydrogen 2.806 N/A ASN 286.A ND2 ASP 290.A OD1 no hydrogen 3.082 N/A ASN 286.A ND2 SER 296.A O no hydrogen 3.089 N/A ARG 287.A N SER 296.A O no hydrogen 3.300 N/A ARG 287.A NE ASP 329.A OD2 no hydrogen 2.859 N/A ARG 287.A NH1 THR 322.A O no hydrogen 3.264 N/A ARG 287.A NH2 ASP 329.A OD2 no hydrogen 3.052 N/A LEU 291.A N SER 296.A OG no hydrogen 3.027 N/A THR 293.A OG1 GLN 295.A OE1 no hydrogen 2.603 N/A GLY 294.A N LEU 291.A O no hydrogen 2.906 N/A GLN 295.A NE2 PRO 321.A O no hydrogen 2.721 N/A SER 296.A OG PRO 289.A O no hydrogen 2.955 N/A VAL 298.A N PHE 285.A O no hydrogen 2.869 N/A LEU 300.A N VAL 283.A O no hydrogen 3.046 N/A THR 301.A N GLY 268.A O no hydrogen 2.979 N/A THR 301.A OG1 GLY 268.A O no hydrogen 3.456 N/A TYR 302.A N GLU 281.A O no hydrogen 2.836 N/A TYR 302.A OH THR 274.A O no hydrogen 2.730 N/A VAL 303.A N VAL 270.A O no hydrogen 2.821 N/A SER 306.A OG ILE 308.A O no hydrogen 2.923 N/A SER 306.A OG SER 311.A OG no hydrogen 2.907 N/A ILE 308.A N SER 306.A OG no hydrogen 3.090 N/A ALA 309.A N ASN 127.A O no hydrogen 2.595 N/A SER 311.A OG SER 306.A OG no hydrogen 2.907 N/A SER 311.A OG ILE 308.A O no hydrogen 2.473 N/A VAL 312.A N ILE 250.A O no hydrogen 2.720 N/A ILE 313.A N LEU 271.A O no hydrogen 2.632 N/A ALA 314.A N LEU 252.A O no hydrogen 3.261 N/A HIS 315.A NE2 LEU 265.A O no hydrogen 2.843 N/A HIS 317.A NE2 ASP 267.A OD1 no hydrogen 2.867 N/A ASP 318.A N HIS 315.A O no hydrogen 2.917 N/A ILE 319.A N GLU 316.A O no hydrogen 3.272 N/A THR 322.A N ILE 319.A O no hydrogen 3.301 N/A THR 322.A OG1 ILE 319.A O no hydrogen 2.920 N/A GLY 323.A N ALA 320.A O no hydrogen 3.062 N/A ASP 325.A N ASP 329.A OD2 no hydrogen 2.953 N/A TYR 326.A N ASP 110.A O no hydrogen 2.796 N/A TYR 326.A OH ALA 314.A O no hydrogen 2.632 N/A GLY 331.A N GLY 249.A O no hydrogen 2.856 N/A TYR 332.A N ASN 286.A O no hydrogen 2.908 N/A VAL 333.A N PHE 247.A O no hydrogen 2.766 N/A PHE 334.A N ILE 284.A O no hydrogen 2.758 N/A MET 339.A N THR 336.A O no hydrogen 3.018 N/A GLY 340.A N PRO 337.A O no hydrogen 2.876 N/A GLY 341.A N THR 336.A O no hydrogen 2.759 N/A LEU 342.A N TYR 191.A OH no hydrogen 3.282 N/A MET 344.A N GLN 199.A O no hydrogen 2.773 N/A PHE 346.A N ALA 297.A O no hydrogen 2.777 N/A THR 358.A OG1 LEU 356.A O no hydrogen 2.791 N/A LYS 359.A N ASP 421.A O no hydrogen 2.978 N/A TYR 361.A OH ARG 417.A O no hydrogen 3.034 N/A SER 363.A OG HIS 366.A ND1 no hydrogen 2.712 N/A LEU 365.A N SER 363.A OG no hydrogen 3.218 N/A HIS 366.A ND1 SER 363.A OG no hydrogen 2.712 N/A ARG 367.A N SER 363.A O no hydrogen 3.417 N/A ARG 367.A NE GLN 418.A O no hydrogen 2.822 N/A ARG 367.A NH1 TRP 78.A O no hydrogen 2.999 N/A ARG 367.A NH1 ASP 82.A OD2 no hydrogen 3.038 N/A ARG 367.A NH2 ASP 82.A OD1 no hydrogen 3.205 N/A ARG 367.A NH2 ASP 82.A OD2 no hydrogen 3.231 N/A ARG 367.A NH2 GLN 418.A O no hydrogen 3.084 N/A TRP 368.A N GLY 364.A O no hydrogen 2.975 N/A TRP 368.A NE1 ASP 60.A O no hydrogen 2.993 N/A ALA 369.A N LEU 365.A O no hydrogen 2.711 N/A GLY 370.A N HIS 366.A O no hydrogen 2.921 N/A GLN 371.A N ARG 367.A O no hydrogen 2.793 N/A GLN 371.A NE2 ASP 60.A OD1 no hydrogen 3.250 N/A VAL 372.A N TRP 368.A O no hydrogen 2.990 N/A HIS 373.A N ALA 369.A O no hydrogen 2.903 N/A HIS 373.A NE2 GLU 28.A O no hydrogen 2.771 N/A ALA 374.A N GLY 370.A O no hydrogen 2.762 N/A ALA 375.A N GLN 371.A O no hydrogen 2.882 N/A HIS 376.A N HIS 373.A O no hydrogen 3.037 N/A ILE 377.A N HIS 373.A O no hydrogen 3.355 N/A LEU 378.A N ALA 374.A O no hydrogen 2.819 N/A GLY 379.A N ALA 375.A O no hydrogen 3.300 N/A ARG 380.A N HIS 376.A O no hydrogen 2.840 N/A ARG 380.A NH1 ALA 27.A O no hydrogen 3.264 N/A ARG 380.A NH1 GLU 28.A OE1 no hydrogen 2.937 N/A VAL 381.A N ILE 377.A O no hydrogen 2.909 N/A GLU 382.A N LEU 378.A O no hydrogen 2.962 N/A VAL 383.A N GLY 379.A O no hydrogen 2.942 N/A ASN 384.A N ARG 380.A O no hydrogen 2.841 N/A ASN 384.A ND2 LYS 430.A O no hydrogen 2.537 N/A THR 385.A N VAL 381.A O no hydrogen 2.930 N/A THR 385.A OG1 VAL 381.A O no hydrogen 2.753 N/A ARG 386.A N GLU 382.A O no hydrogen 3.086 N/A ARG 386.A NH1 GLU 382.A OE1 no hydrogen 3.327 N/A ARG 387.A N VAL 383.A O no hydrogen 2.790 N/A ARG 387.A NE ASP 439.A OD2 no hydrogen 3.195 N/A ARG 387.A NH2 ASP 439.A OD2 no hydrogen 3.244 N/A LEU 388.A N ASN 384.A O no hydrogen 2.852 N/A LEU 389.A N THR 385.A O no hydrogen 3.064 N/A ASP 390.A N ARG 386.A O no hydrogen 3.202 N/A ASP 390.A N ARG 387.A O no hydrogen 2.649 N/A ALA 391.A N ARG 387.A O no hydrogen 3.035 N/A ALA 392.A N LEU 388.A O no hydrogen 2.827 N/A TRP 393.A N LEU 389.A O no hydrogen 2.986 N/A ALA 394.A N ASP 390.A O no hydrogen 2.921 N/A ASN 395.A N ALA 391.A O no hydrogen 3.000 N/A GLY 396.A N TRP 393.A O no hydrogen 3.189 N/A GLU 397.A N ALA 392.A O no hydrogen 2.974 N/A VAL 399.A N GLU 398.A OE2 no hydrogen 3.161 N/A GLN 401.A NE2 THR 293.A O no hydrogen 3.533 N/A GLN 401.A NE2 HIS 405.A NE2 no hydrogen 3.697 N/A TYR 403.A N SER 400.A O no hydrogen 2.882 N/A TYR 403.A OH ASN 384.A OD1 no hydrogen 3.265 N/A TYR 403.A OH ASP 428.A O no hydrogen 2.937 N/A HIS 405.A N GLN 401.A O no hydrogen 3.063 N/A HIS 405.A ND1 HIS 352.A NE2 no hydrogen 3.236 N/A ALA 406.A N ASP 402.A O no hydrogen 3.101 N/A ALA 407.A N TYR 403.A O no hydrogen 2.750 N/A THR 408.A N LEU 404.A O no hydrogen 2.695 N/A THR 408.A OG1 LEU 404.A O no hydrogen 2.905 N/A GLU 409.A N HIS 405.A O no hydrogen 2.888 N/A MET 410.A N ALA 406.A O no hydrogen 3.106 N/A ILE 411.A N ALA 407.A O no hydrogen 2.921 N/A GLN 412.A N THR 408.A O no hydrogen 3.116 N/A VAL 413.A N GLU 409.A O no hydrogen 3.194 N/A ALA 414.A N MET 410.A O no hydrogen 2.810 N/A VAL 415.A N ILE 411.A O no hydrogen 2.968 N/A ASP 416.A N GLN 412.A O no hydrogen 2.961 N/A ARG 417.A N VAL 413.A O no hydrogen 2.742 N/A ARG 417.A N ALA 414.A O no hydrogen 3.242 N/A ARG 417.A NH1 ASP 421.A OD2 no hydrogen 3.024 N/A ARG 417.A NH1 ILE 422.A O no hydrogen 3.172 N/A ARG 417.A NH2 HIS 373.A ND1 no hydrogen 3.503 N/A GLN 418.A N VAL 415.A O no hydrogen 3.238 N/A LYS 419.A N ASP 416.A O no hydrogen 2.977 N/A ARG 420.A N ASP 416.A O no hydrogen 3.317 N/A GLN 423.A N PRO 357.A O no hydrogen 3.304 N/A VAL 436.A N ASP 439.A OD1 no hydrogen 2.695 N/A MET 437.A N VAL 475.A O no hydrogen 2.870 N/A THR 438.A N ASP 390.A OD2 no hydrogen 2.740 N/A THR 438.A OG1 ASP 390.A OD2 no hydrogen 2.401 N/A ASP 439.A N VAL 436.A O no hydrogen 2.458 N/A PHE 440.A N VAL 436.A O no hydrogen 3.435 N/A TRP 441.A N MET 437.A O no hydrogen 2.984 N/A ARG 442.A N THR 438.A O no hydrogen 3.055 N/A LEU 443.A N ASP 439.A O no hydrogen 3.355 N/A ALA 444.A N PHE 440.A O no hydrogen 2.832 N/A VAL 445.A N TRP 441.A O no hydrogen 2.755 N/A GLY 448.A N VAL 445.A O no hydrogen 2.847 N/A THR 451.A OG1 GLU 190.A OE2 no hydrogen 2.797 N/A ASN 455.A N GLU 453.A O no hydrogen 2.553 N/A LYS 460.A N PRO 457.A O no hydrogen 2.737 N/A ILE 461.A N PRO 457.A O no hydrogen 3.348 N/A ARG 464.A N LYS 460.A O no hydrogen 3.120 N/A TRP 465.A N ILE 461.A O no hydrogen 3.261 N/A ARG 466.A N THR 462.A O no hydrogen 2.968 N/A ARG 466.A NH1 ASN 463.A OD1 no hydrogen 3.179 N/A ALA 467.A N ASN 463.A O no hydrogen 3.037 N/A ALA 467.A N ARG 464.A O no hydrogen 3.085 N/A TRP 468.A N TRP 465.A O no hydrogen 3.337 N/A GLU 469.A N ARG 466.A O no hydrogen 2.953 N/A THR 470.A N ALA 467.A O no hydrogen 3.041 N/A THR 470.A OG1 ALA 467.A O no hydrogen 2.908 N/A GLY 473.A N THR 470.A O no hydrogen 3.061 N/A TYR 474.A N LEU 471.A O no hydrogen 3.138 N/A VAL 475.A N PRO 435.A O no hydrogen 2.664 N/A ASP 479.A N HIS 477.A ND1 no hydrogen 3.125 N/A MET 480.A N HIS 477.A ND1 no hydrogen 3.392 N/A LYS 481.A N HIS 477.A O no hydrogen 3.323 N/A LYS 481.A NZ TYR 474.A O no hydrogen 2.375 N/A ASP 482.A N PRO 478.A O no hydrogen 3.215 N/A GLY 483.A N ASP 479.A O no hydrogen 2.810 N/A LEU 484.A N MET 480.A O no hydrogen 2.923 N/A LYS 485.A N ASP 482.A O no hydrogen 3.420 N/A LYS 485.A NZ ASP 482.A OD1 no hydrogen 2.701 N/A ALA 488.A N LEU 484.A O no hydrogen 3.037 N/A SER 489.A N LYS 485.A O no hydrogen 2.868 N/A SER 489.A OG LYS 485.A O no hydrogen 3.470 N/A LYS 490.A N PRO 486.A O no hydrogen 2.914 N/A LYS 490.A NZ ASP 209.A OD1 no hydrogen 3.335 N/A VAL 491.A N LEU 487.A O no hydrogen 2.884 N/A SER 492.A N ALA 488.A O no hydrogen 2.914 N/A ARG 493.A N SER 489.A O no hydrogen 2.906 N/A ARG 493.A NE ALA 589.A O no hydrogen 2.907 N/A ARG 493.A NH2 LEU 590.A O no hydrogen 2.862 N/A VAL 494.A N LYS 490.A O no hydrogen 3.137 N/A LEU 495.A N VAL 491.A O no hydrogen 2.994 N/A ALA 496.A N SER 492.A O no hydrogen 2.983 N/A ARG 497.A N ARG 493.A O no hydrogen 2.756 N/A ARG 497.A NE GLU 585.A OE1 no hydrogen 3.021 N/A ARG 497.A NH1 GLU 588.A OE2 no hydrogen 2.975 N/A ARG 497.A NH2 GLU 585.A OE1 no hydrogen 3.140 N/A ARG 497.A NH2 GLU 588.A OE2 no hydrogen 2.704 N/A GLY 498.A N LEU 495.A O no hydrogen 3.138 N/A GLU 499.A N ALA 496.A O no hydrogen 3.186 N/A ARG 501.A N GLY 498.A O no hydrogen 3.185 N/A ARG 501.A NE GLU 229.A OE1 no hydrogen 2.588 N/A ARG 501.A NH1 GLU 585.A OE1 no hydrogen 2.674 N/A ARG 501.A NH1 GLU 585.A OE2 no hydrogen 3.254 N/A ARG 501.A NH2 GLU 229.A OE1 no hydrogen 3.243 N/A ARG 501.A NH2 GLU 229.A OE2 no hydrogen 3.282 N/A ARG 501.A NH2 GLU 585.A OE2 no hydrogen 2.678 N/A ARG 502.A NH1 GLU 499.A O no hydrogen 3.248 N/A LEU 507.A N PRO 503.A O no hydrogen 2.862 N/A ALA 508.A N GLY 504.A O no hydrogen 2.925 N/A ALA 509.A N PRO 505.A O no hydrogen 2.911 N/A LEU 510.A N VAL 506.A O no hydrogen 2.956 N/A ALA 511.A N LEU 507.A O no hydrogen 3.249 N/A PHE 512.A N ALA 508.A O no hydrogen 3.379 N/A PHE 512.A N ALA 509.A O no hydrogen 3.087 N/A ALA 513.A N ALA 509.A O no hydrogen 2.980 N/A LEU 514.A N LEU 510.A O no hydrogen 3.058 N/A GLU 518.A N SER 552.A O no hydrogen 2.955 N/A ARG 520.A NE GLU 525.A OE2 no hydrogen 2.533 N/A ARG 520.A NH1 GLN 553.A O no hydrogen 2.441 N/A ARG 520.A NH1 ASP 556.A OD1 no hydrogen 2.989 N/A ARG 520.A NH2 GLU 525.A OE2 no hydrogen 2.731 N/A ARG 520.A NH2 ASP 556.A OD1 no hydrogen 3.389 N/A ARG 520.A NH2 ASP 556.A OD2 no hydrogen 2.712 N/A VAL 524.A N PRO 521.A O no hydrogen 2.922 N/A GLU 525.A N PRO 521.A O no hydrogen 3.063 N/A ASP 526.A N LYS 522.A O no hydrogen 2.775 N/A LEU 527.A N GLU 523.A O no hydrogen 3.000 N/A LEU 528.A N VAL 524.A O no hydrogen 3.012 N/A THR 529.A N GLU 525.A O no hydrogen 3.089 N/A THR 529.A OG1 GLU 525.A O no hydrogen 2.725 N/A ALA 530.A N ASP 526.A O no hydrogen 2.859 N/A GLY 531.A N LEU 527.A O no hydrogen 2.792 N/A LEU 532.A N LEU 528.A O no hydrogen 3.009 N/A GLN 533.A N THR 529.A O no hydrogen 2.983 N/A SER 534.A N GLY 531.A O no hydrogen 3.089 N/A SER 534.A OG ALA 530.A O no hydrogen 2.572 N/A SER 534.A OG GLY 531.A O no hydrogen 3.368 N/A GLY 535.A N GLY 531.A O no hydrogen 2.885 N/A LYS 536.A N GLY 531.A O no hydrogen 3.185 N/A ALA 539.A N LYS 536.A O no hydrogen 2.742 N/A VAL 540.A N LYS 536.A O no hydrogen 3.125 N/A TYR 541.A N ARG 537.A O no hydrogen 2.632 N/A TYR 541.A OH HIS 557.A ND1 no hydrogen 2.728 N/A ASP 542.A N HIS 538.A O no hydrogen 2.858 N/A ALA 543.A N ALA 539.A O no hydrogen 2.890 N/A LEU 544.A N VAL 540.A O no hydrogen 2.846 N/A VAL 545.A N TYR 541.A O no hydrogen 2.965 N/A GLN 546.A N ASP 542.A O no hydrogen 3.023 N/A MET 547.A N ALA 543.A O no hydrogen 2.652 N/A GLY 548.A N VAL 545.A O no hydrogen 3.004 N/A LEU 549.A N LEU 544.A O no hydrogen 2.945 N/A GLN 553.A N PRO 550.A O no hydrogen 3.011 N/A ALA 554.A N ALA 551.A O no hydrogen 2.806 N/A THR 555.A OG1 PRO 515.A O no hydrogen 2.740 N/A HIS 557.A N ALA 554.A O no hydrogen 2.559 N/A HIS 557.A ND1 TYR 541.A OH no hydrogen 2.728 N/A TRP 561.A N HIS 557.A O no hydrogen 2.649 N/A LEU 562.A N PRO 558.A O no hydrogen 2.763 N/A ARG 563.A N LEU 560.A O no hydrogen 2.808 N/A ARG 563.A NE GLU 217.A OE1 no hydrogen 2.876 N/A ARG 563.A NE GLU 217.A OE2 no hydrogen 2.769 N/A ARG 563.A NH1 ASP 542.A OD1 no hydrogen 2.729 N/A ARG 563.A NH2 GLU 217.A OE2 no hydrogen 3.052 N/A ARG 563.A NH2 ASP 542.A OD1 no hydrogen 3.075 N/A LEU 564.A N TRP 561.A O no hydrogen 2.946 N/A ALA 565.A N TRP 561.A O no hydrogen 2.950 N/A SER 566.A N GLU 569.A OE2 no hydrogen 2.965 N/A SER 566.A OG GLU 568.A OE1 no hydrogen 3.469 N/A LYS 567.A NZ GLU 571.A OE2 no hydrogen 3.280 N/A GLU 569.A N SER 566.A OG no hydrogen 3.280 N/A LEU 570.A N SER 566.A O no hydrogen 2.880 N/A GLU 571.A N LYS 567.A O no hydrogen 2.930 N/A ALA 572.A N GLU 568.A O no hydrogen 2.925 N/A VAL 573.A N GLU 569.A O no hydrogen 3.308 N/A VAL 573.A N LEU 570.A O no hydrogen 3.033 N/A PHE 574.A N LEU 570.A O no hydrogen 2.969 N/A LYS 575.A N GLU 571.A O no hydrogen 2.999 N/A GLN 576.A N ALA 572.A O no hydrogen 3.131 N/A LEU 577.A N VAL 573.A O no hydrogen 3.173 N/A LEU 577.A N PHE 574.A O no hydrogen 3.134 N/A GLY 578.A N PHE 574.A O no hydrogen 2.833 N/A GLY 578.A N LYS 575.A O no hydrogen 2.902 N/A TYR 579.A N PHE 574.A O no hydrogen 3.284 N/A ARG 580.A NE GLU 584.A OE2 no hydrogen 2.942 N/A ARG 580.A NH1 GLU 588.A OE1 no hydrogen 3.511 N/A ARG 580.A NH2 GLU 588.A OE1 no hydrogen 2.801 N/A ALA 582.A N ALA 226.A O no hydrogen 2.919 N/A GLU 585.A N PRO 581.A O no hydrogen 3.339 N/A LEU 586.A N ALA 582.A O no hydrogen 2.740 N/A GLU 587.A N MET 583.A O no hydrogen 2.783 N/A GLU 588.A N GLU 584.A O no hydrogen 3.215 N/A ALA 589.A N GLU 585.A O no hydrogen 3.071 N/A LEU 590.A N LEU 586.A O no hydrogen 2.977 N/A ASN 591.A N GLU 587.A O no hydrogen 2.802 N/A ALA 592.A N ALA 589.A O no hydrogen 3.489 N/A