Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ex3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 32.A OE1 no hydrogen 3.262 N/A TYR 4.A N ASP 52.A O no hydrogen 2.959 N/A TYR 4.A OH GLU 32.A OE2 no hydrogen 2.728 N/A SER 5.A N MET 25.A O no hydrogen 2.829 N/A SER 5.A OG ILE 165.A O no hydrogen 2.689 N/A CYS 6.A N TYR 54.A O no hydrogen 2.746 N/A ALA 7.A N GLY 23.A O no hydrogen 3.001 N/A GLU 9.A N ALA 21.A O no hydrogen 2.874 N/A THR 11.A N ARG 18.A O no hydrogen 3.011 N/A THR 11.A OG1 ASP 16.A O no hydrogen 2.758 N/A THR 11.A OG1 ARG 18.A O no hydrogen 3.406 N/A CYS 17.A SG VAL 560.A O no hydrogen 3.853 N/A ARG 18.A N THR 11.A OG1 no hydrogen 2.917 N/A ARG 18.A NE ASP 16.A OD1 no hydrogen 2.820 N/A ARG 18.A NE ASP 16.A OD2 no hydrogen 3.197 N/A ARG 18.A NH1 ARG 147.A O no hydrogen 3.554 N/A ARG 18.A NH2 ASP 16.A OD2 no hydrogen 2.967 N/A ARG 18.A NH2 ARG 147.A O no hydrogen 2.806 N/A TRP 20.A N GLU 9.A O no hydrogen 2.812 N/A ALA 21.A N GLU 9.A O no hydrogen 3.314 N/A TYR 22.A N GLY 36.A O no hydrogen 2.923 N/A TYR 22.A OH GLU 41.A OE2 no hydrogen 2.430 N/A GLY 23.A N ALA 7.A O no hydrogen 3.042 N/A TYR 24.A N LYS 34.A O no hydrogen 2.990 N/A MET 25.A N SER 5.A O no hydrogen 2.878 N/A ASN 26.A N GLU 32.A O no hydrogen 2.886 N/A ASN 26.A ND2 GLU 32.A OE1 no hydrogen 3.257 N/A ILE 27.A N MET 3.A O no hydrogen 2.824 N/A GLU 28.A N ASN 26.A OD1 no hydrogen 2.841 N/A ASP 29.A N ASN 26.A OD1 no hydrogen 2.983 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.094 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.620 N/A SER 31.A OG ASP 29.A OD2 no hydrogen 3.162 N/A GLU 32.A N ASP 29.A O no hydrogen 3.078 N/A TYR 33.A OH TYR 158.A OH no hydrogen 2.858 N/A LYS 34.A N TYR 24.A O no hydrogen 2.904 N/A GLY 36.A N TYR 22.A O no hydrogen 3.058 N/A ASN 37.A ND2 TYR 151.A O no hydrogen 3.060 N/A GLU 41.A N SER 38.A OG no hydrogen 3.175 N/A PHE 42.A N SER 38.A O no hydrogen 3.136 N/A MET 43.A N LEU 39.A O no hydrogen 2.779 N/A ALA 44.A N ASP 40.A O no hydrogen 3.001 N/A TRP 45.A N GLU 41.A O no hydrogen 3.370 N/A VAL 46.A N PHE 42.A O no hydrogen 2.828 N/A LEU 47.A N MET 43.A O no hydrogen 3.148 N/A LYS 48.A N TRP 45.A O no hydrogen 2.902 N/A VAL 49.A N TRP 45.A O no hydrogen 3.060 N/A ASP 52.A N LYS 2.A O no hydrogen 3.017 N/A LEU 53.A N VAL 113.A O no hydrogen 2.869 N/A TYR 54.A N TYR 4.A O no hydrogen 2.736 N/A PHE 55.A N TYR 115.A O no hydrogen 3.006 N/A HIS 56.A ND1 SER 117.A OG no hydrogen 2.550 N/A HIS 56.A NE2 PHE 123.A O no hydrogen 2.682 N/A ASN 57.A N ASP 116.A OD1 no hydrogen 2.763 N/A LEU 58.A N ASP 116.A OD1 no hydrogen 3.088 N/A LYS 59.A NZ GLY 93.A O no hydrogen 3.282 N/A GLY 62.A N LEU 58.A O no hydrogen 2.495 N/A ALA 63.A N PHE 60.A O no hydrogen 3.225 N/A PHE 64.A N ALA 61.A O no hydrogen 3.035 N/A ILE 65.A N ALA 61.A O no hydrogen 3.361 N/A ILE 66.A N GLY 62.A O no hydrogen 3.014 N/A ASN 67.A N ALA 63.A O no hydrogen 3.293 N/A ASN 67.A ND2 ALA 63.A O no hydrogen 2.961 N/A TRP 68.A N PHE 64.A O no hydrogen 3.235 N/A TRP 68.A NE1 ASP 40.A OD2 no hydrogen 2.704 N/A LEU 69.A N ILE 65.A O no hydrogen 2.816 N/A GLU 70.A N ILE 66.A O no hydrogen 2.924 N/A ARG 71.A N TRP 68.A O no hydrogen 3.042 N/A ARG 71.A NE ASN 67.A O no hydrogen 3.266 N/A ARG 71.A NH2 ASN 67.A OD1 no hydrogen 3.181 N/A ASN 72.A N LEU 69.A O no hydrogen 2.999 N/A ASN 72.A ND2 TRP 68.A O no hydrogen 2.753 N/A PHE 74.A N LEU 69.A O no hydrogen 2.993 N/A TRP 76.A NE1 THR 87.A OG1 no hydrogen 2.779 N/A SER 77.A N TYR 85.A O no hydrogen 2.929 N/A SER 77.A OG THR 84.A OG1 no hydrogen 3.327 N/A THR 84.A N LEU 81.A O no hydrogen 3.209 N/A THR 84.A OG1 SER 77.A OG no hydrogen 3.327 N/A THR 84.A OG1 LEU 81.A O no hydrogen 2.509 N/A TYR 85.A N LYS 75.A O no hydrogen 2.928 N/A TYR 85.A OH GLU 70.A OE1 no hydrogen 2.734 N/A ASN 86.A N ASP 99.A O no hydrogen 2.785 N/A ILE 88.A N MET 97.A O no hydrogen 2.805 N/A SER 90.A N GLN 94.A O no hydrogen 3.021 N/A SER 90.A OG GLN 94.A O no hydrogen 3.533 N/A ARG 91.A NE ASP 393.A OD1 no hydrogen 3.319 N/A ARG 91.A NE ASP 393.A OD2 no hydrogen 3.229 N/A ARG 91.A NH2 ASP 393.A OD1 no hydrogen 3.525 N/A ARG 91.A NH2 ASP 393.A OD2 no hydrogen 2.804 N/A GLY 93.A N SER 90.A O no hydrogen 2.826 N/A GLN 94.A N SER 90.A OG no hydrogen 3.138 N/A TYR 96.A N ILE 88.A O no hydrogen 2.856 N/A ILE 98.A N ILE 114.A O no hydrogen 2.855 N/A ASP 99.A N ASN 86.A O no hydrogen 2.728 N/A ILE 100.A N THR 112.A O no hydrogen 2.842 N/A CYS 101.A N THR 84.A O no hydrogen 2.790 N/A CYS 101.A SG GLY 80.A O no hydrogen 3.492 N/A CYS 101.A SG LEU 81.A O no hydrogen 3.284 N/A LEU 102.A N ILE 110.A O no hydrogen 3.049 N/A TYR 104.A OH GLY 80.A O no hydrogen 3.296 N/A LYS 105.A N ARG 108.A O no hydrogen 3.195 N/A ARG 108.A N LYS 105.A O no hydrogen 3.172 N/A LYS 109.A NZ ASP 99.A OD1 no hydrogen 3.189 N/A ILE 110.A N GLY 103.A O no hydrogen 2.995 N/A HIS 111.A ND1 ASP 99.A OD2 no hydrogen 2.947 N/A THR 112.A N ILE 100.A O no hydrogen 3.121 N/A THR 112.A OG1 VAL 46.A O no hydrogen 2.708 N/A VAL 113.A N ALA 51.A O no hydrogen 3.164 N/A ILE 114.A N ILE 98.A O no hydrogen 2.635 N/A TYR 115.A N LEU 53.A O no hydrogen 2.759 N/A SER 117.A N PHE 55.A O no hydrogen 2.864 N/A SER 117.A OG PHE 55.A O no hydrogen 3.447 N/A SER 117.A OG HIS 56.A ND1 no hydrogen 2.550 N/A LEU 118.A N ASP 116.A OD1 no hydrogen 3.170 N/A LYS 119.A N ASP 116.A O no hydrogen 3.136 N/A LYS 119.A NZ TRP 95.A O no hydrogen 2.864 N/A LYS 119.A NZ ASP 116.A OD2 no hydrogen 2.846 N/A LYS 120.A NZ LEU 180.A O no hydrogen 2.801 N/A LYS 120.A NZ ARG 182.A O no hydrogen 2.883 N/A LYS 120.A NZ ASP 188.A OD2 no hydrogen 2.427 N/A LEU 121.A N SER 117.A O no hydrogen 2.806 N/A PHE 123.A N LEU 121.A O no hydrogen 2.713 N/A LYS 126.A NZ GLY 139.A O no hydrogen 3.532 N/A LYS 126.A NZ ASP 140.A OD2 no hydrogen 3.489 N/A ILE 128.A N PRO 124.A O no hydrogen 3.007 N/A ALA 129.A N VAL 125.A O no hydrogen 2.936 N/A LYS 130.A N LYS 126.A O no hydrogen 2.900 N/A ASP 131.A N LYS 127.A O no hydrogen 3.149 N/A PHE 132.A N ILE 128.A O no hydrogen 2.809 N/A LYS 133.A NZ GLU 370.A OE2 no hydrogen 3.411 N/A LEU 134.A N ALA 129.A O no hydrogen 2.857 N/A LEU 137.A N ASN 163.A OD1 no hydrogen 2.690 N/A ILE 141.A N ASP 140.A OD1 no hydrogen 2.995 N/A TYR 143.A OH GLU 9.A OE1 no hydrogen 3.240 N/A HIS 144.A N ASP 142.A OD1 no hydrogen 2.953 N/A LYS 145.A NZ TYR 151.A OH no hydrogen 2.748 N/A LYS 145.A NZ GLU 157.A OE2 no hydrogen 3.177 N/A ARG 147.A NH1 TYR 151.A OH no hydrogen 3.306 N/A TYR 151.A N PRO 148.A O no hydrogen 3.162 N/A TYR 151.A OH GLU 157.A OE1 no hydrogen 2.793 N/A TYR 151.A OH GLU 157.A OE2 no hydrogen 2.661 N/A THR 154.A N GLU 157.A OE1 no hydrogen 3.070 N/A TYR 158.A N THR 154.A O no hydrogen 2.943 N/A TYR 158.A OH TYR 33.A OH no hydrogen 2.858 N/A ALA 159.A N PRO 155.A O no hydrogen 2.999 N/A TYR 160.A N GLU 156.A O no hydrogen 3.014 N/A TYR 160.A OH LYS 138.A O no hydrogen 2.632 N/A ILE 161.A N GLU 157.A O no hydrogen 2.949 N/A LYS 162.A N TYR 158.A O no hydrogen 3.078 N/A ASN 163.A N ALA 159.A O no hydrogen 2.907 N/A ASN 163.A ND2 THR 135.A O no hydrogen 2.959 N/A ASP 164.A N TYR 160.A O no hydrogen 3.011 N/A ILE 165.A N ILE 161.A O no hydrogen 3.177 N/A GLN 166.A N LYS 162.A O no hydrogen 2.965 N/A ILE 167.A N ASN 163.A O no hydrogen 2.868 N/A ILE 168.A N ASP 164.A O no hydrogen 3.447 N/A ALA 169.A N ILE 165.A O no hydrogen 2.777 N/A GLU 170.A N GLN 166.A O no hydrogen 2.701 N/A ALA 171.A N ILE 167.A O no hydrogen 3.029 N/A LEU 172.A N ILE 168.A O no hydrogen 2.930 N/A LEU 173.A N ALA 169.A O no hydrogen 3.082 N/A ILE 174.A N GLU 170.A O no hydrogen 3.348 N/A GLN 175.A N ALA 171.A O no hydrogen 3.162 N/A GLN 175.A NE2 LYS 120.A O no hydrogen 3.449 N/A PHE 176.A N LEU 172.A O no hydrogen 2.796 N/A LYS 177.A N LEU 173.A O no hydrogen 2.961 N/A GLN 178.A N GLN 175.A O no hydrogen 3.014 N/A GLN 178.A NE2 ILE 174.A O no hydrogen 3.353 N/A GLY 179.A N PHE 176.A O no hydrogen 2.909 N/A LEU 180.A N GLN 175.A O no hydrogen 3.195 N/A ARG 182.A N ASP 188.A OD1 no hydrogen 2.836 N/A THR 184.A OG1 SER 187.A OG no hydrogen 3.134 N/A ALA 185.A N LYS 119.A O no hydrogen 2.904 N/A SER 187.A N THR 184.A OG1 no hydrogen 3.161 N/A SER 187.A OG THR 184.A OG1 no hydrogen 3.134 N/A ASP 188.A N THR 184.A O no hydrogen 3.107 N/A SER 189.A N ALA 185.A O no hydrogen 2.986 N/A LEU 190.A N GLY 186.A O no hydrogen 2.825 N/A LYS 191.A N SER 187.A O no hydrogen 2.809 N/A LYS 191.A NZ GLY 179.A O no hydrogen 2.966 N/A LYS 191.A NZ ASP 181.A OD2 no hydrogen 2.732 N/A GLY 192.A N ASP 188.A O no hydrogen 2.957 N/A PHE 193.A N SER 189.A O no hydrogen 3.132 N/A LYS 194.A N LEU 190.A O no hydrogen 2.907 N/A ASP 195.A N LYS 191.A O no hydrogen 2.953 N/A ILE 196.A N GLY 192.A O no hydrogen 3.404 N/A ILE 197.A N PHE 193.A O no hydrogen 3.047 N/A THR 198.A N LYS 194.A O no hydrogen 2.799 N/A THR 198.A OG1 ILE 197.A O no hydrogen 2.686 N/A PHE 202.A N THR 198.A O no hydrogen 2.743 N/A LYS 203.A N THR 199.A O no hydrogen 2.936 N/A LYS 204.A N LYS 201.A O no hydrogen 2.885 N/A VAL 205.A N LYS 201.A O no hydrogen 2.819 N/A PHE 206.A N PHE 202.A O no hydrogen 2.862 N/A ASP 214.A N SER 210.A O no hydrogen 3.016 N/A LYS 215.A N LEU 211.A O no hydrogen 2.982 N/A GLU 216.A N GLY 212.A O no hydrogen 3.357 N/A VAL 217.A N LEU 213.A O no hydrogen 2.798 N/A ARG 218.A N ASP 214.A O no hydrogen 3.054 N/A ARG 218.A NH2 ASP 214.A OD1 no hydrogen 2.528 N/A TYR 219.A N GLU 216.A O no hydrogen 3.217 N/A ALA 220.A N VAL 217.A O no hydrogen 3.099 N/A TYR 221.A N ARG 218.A O no hydrogen 3.055 N/A TYR 221.A OH TYR 385.A OH no hydrogen 3.175 N/A ARG 222.A NH1 GLN 298.A O no hydrogen 2.901 N/A THR 226.A OG1 ASP 451.A OD1 no hydrogen 3.222 N/A TRP 227.A N CYS 450.A O no hydrogen 3.038 N/A ASN 229.A N ILE 448.A O no hydrogen 2.943 N/A ASN 229.A ND2 ILE 447.A O no hydrogen 3.232 N/A ARG 231.A N ASN 229.A OD1 no hydrogen 3.127 N/A PHE 232.A N ASN 229.A O no hydrogen 2.868 N/A LYS 233.A N ASP 230.A O no hydrogen 3.131 N/A GLU 234.A N TYR 489.A O no hydrogen 2.679 N/A ILE 237.A N ALA 487.A O no hydrogen 2.931 N/A GLY 240.A N PHE 484.A O no hydrogen 2.998 N/A MET 241.A N LEU 457.A O no hydrogen 2.880 N/A VAL 242.A N SER 482.A O no hydrogen 2.823 N/A PHE 243.A N ILE 455.A O no hydrogen 2.812 N/A ASP 244.A N ALA 479.A O no hydrogen 2.967 N/A VAL 245.A N ASP 453.A O no hydrogen 2.918 N/A ASN 246.A N TYR 477.A O no hydrogen 2.858 N/A ASN 246.A ND2 ASP 471.A O no hydrogen 3.157 N/A ASN 246.A ND2 LYS 474.A O no hydrogen 2.818 N/A ALA 251.A N SER 247.A O no hydrogen 2.846 N/A GLN 252.A N LEU 248.A O no hydrogen 3.245 N/A GLN 252.A NE2 LEU 248.A O no hydrogen 2.955 N/A MET 253.A N TYR 249.A O no hydrogen 2.962 N/A TYR 254.A N PRO 250.A O no hydrogen 2.841 N/A TYR 254.A OH ASP 360.A OD1 no hydrogen 2.877 N/A SER 255.A OG ALA 251.A O no hydrogen 3.136 N/A ARG 256.A N GLN 252.A O no hydrogen 2.987 N/A ARG 256.A NE GLN 252.A OE1 no hydrogen 2.935 N/A ARG 256.A NH2 THR 435.A OG1 no hydrogen 3.030 N/A LEU 258.A N THR 351.A O no hydrogen 2.786 N/A TYR 260.A N LYS 349.A O no hydrogen 2.848 N/A GLY 261.A N VAL 205.A O no hydrogen 2.636 N/A ILE 264.A N LYS 347.A O no hydrogen 2.900 N/A PHE 266.A N GLY 345.A O no hydrogen 2.959 N/A GLY 268.A N ILE 343.A O no hydrogen 2.912 N/A TYR 270.A N GLN 281.A OE1 no hydrogen 3.153 N/A TYR 270.A OH TYR 276.A O no hydrogen 2.826 N/A ASP 273.A N TYR 270.A OH no hydrogen 3.107 N/A ASP 275.A N ASP 273.A OD1 no hydrogen 3.035 N/A TYR 276.A N ASP 273.A O no hydrogen 3.004 N/A ILE 280.A N LEU 346.A O no hydrogen 2.817 N/A GLN 281.A N LEU 323.A O no hydrogen 2.790 N/A GLN 281.A NE2 GLY 268.A O no hydrogen 2.852 N/A GLN 281.A NE2 SER 344.A O no hydrogen 3.273 N/A HIS 282.A N SER 344.A O no hydrogen 2.913 N/A HIS 282.A NE2 ASP 320.A OD1 no hydrogen 3.046 N/A HIS 282.A NE2 ASP 320.A OD2 no hydrogen 3.105 N/A ILE 283.A N LEU 321.A O no hydrogen 2.776 N/A ARG 284.A N GLU 341.A O no hydrogen 2.877 N/A ARG 284.A NE GLU 341.A OE1 no hydrogen 3.092 N/A CYS 285.A N ALA 319.A O no hydrogen 2.917 N/A CYS 285.A SG GLU 286.A O no hydrogen 3.671 N/A GLU 286.A N TYR 338.A O no hydrogen 2.962 N/A PHE 287.A N SER 314.A OG no hydrogen 3.013 N/A GLU 288.A N ASP 336.A O no hydrogen 2.871 N/A LEU 289.A N LYS 312.A O no hydrogen 2.800 N/A LYS 290.A N HIS 334.A O no hydrogen 2.776 N/A LYS 290.A NZ LYS 332.A O no hydrogen 3.098 N/A LYS 290.A NZ GLU 333.A O no hydrogen 2.958 N/A ILE 294.A N GLN 441.A OE1 no hydrogen 2.961 N/A THR 296.A N TYR 335.A OH no hydrogen 2.847 N/A ILE 297.A N TYR 335.A OH no hydrogen 3.113 N/A GLN 298.A NE2 ASN 308.A O no hydrogen 2.781 N/A PHE 304.A N SER 302.A OG no hydrogen 3.419 N/A TYR 305.A OH SER 314.A O no hydrogen 2.764 N/A LEU 311.A N ILE 297.A O no hydrogen 2.825 N/A SER 313.A OG GLU 288.A OE1 no hydrogen 3.519 N/A SER 313.A OG GLU 288.A OE2 no hydrogen 3.294 N/A SER 314.A N PHE 287.A O no hydrogen 3.063 N/A SER 314.A OG PHE 287.A O no hydrogen 3.444 N/A GLY 315.A N SER 313.A OG no hydrogen 2.858 N/A GLU 317.A N SER 314.A O no hydrogen 3.299 N/A ALA 319.A N CYS 285.A O no hydrogen 2.769 N/A LEU 321.A N ILE 283.A O no hydrogen 3.025 N/A LEU 323.A N GLN 281.A O no hydrogen 2.935 N/A SER 324.A OG ASP 327.A OD2 no hydrogen 2.475 N/A ASN 325.A N HIS 279.A O no hydrogen 2.901 N/A ASN 325.A ND2 HIS 279.A O no hydrogen 3.474 N/A ASP 327.A N SER 324.A OG no hydrogen 3.113 N/A LEU 328.A N SER 324.A O no hydrogen 2.936 N/A GLU 329.A N ASN 325.A O no hydrogen 2.925 N/A LEU 330.A N VAL 326.A O no hydrogen 3.323 N/A MET 331.A N ASP 327.A O no hydrogen 2.832 N/A LYS 332.A N LEU 328.A O no hydrogen 3.013 N/A GLU 333.A N LEU 330.A O no hydrogen 3.316 N/A HIS 334.A N LEU 330.A O no hydrogen 3.211 N/A HIS 334.A N MET 331.A O no hydrogen 3.101 N/A HIS 334.A ND1 ILE 294.A O no hydrogen 2.672 N/A TYR 335.A N MET 331.A O no hydrogen 2.832 N/A TYR 335.A OH LEU 311.A O no hydrogen 2.727 N/A ASP 336.A N GLU 288.A O no hydrogen 2.740 N/A TYR 338.A N GLU 286.A O no hydrogen 2.771 N/A GLU 341.A N ARG 284.A O no hydrogen 2.669 N/A ILE 343.A N HIS 282.A O no hydrogen 3.046 N/A GLY 345.A N PHE 266.A O no hydrogen 2.976 N/A LEU 346.A N ILE 280.A O no hydrogen 2.952 N/A LYS 347.A N ILE 264.A O no hydrogen 2.929 N/A LYS 347.A NZ ASP 273.A OD2 no hydrogen 3.157 N/A PHE 348.A N LEU 278.A O no hydrogen 2.764 N/A THR 351.A N LEU 258.A O no hydrogen 2.961 N/A GLY 353.A N THR 351.A OG1 no hydrogen 3.175 N/A LYS 356.A N GLY 353.A O no hydrogen 3.289 N/A LYS 356.A NZ TYR 254.A O no hydrogen 3.183 N/A LYS 356.A NZ THR 352.A O no hydrogen 3.508 N/A ILE 359.A N PHE 355.A O no hydrogen 3.097 N/A ASP 360.A N LYS 356.A O no hydrogen 2.795 N/A LYS 361.A N ASP 357.A O no hydrogen 3.067 N/A TRP 362.A N PHE 358.A O no hydrogen 3.302 N/A THR 363.A N ILE 359.A O no hydrogen 2.661 N/A THR 363.A OG1 ILE 359.A O no hydrogen 2.684 N/A TYR 364.A N ASP 360.A O no hydrogen 2.891 N/A ILE 365.A N LYS 361.A O no hydrogen 3.255 N/A LYS 366.A N TRP 362.A O no hydrogen 3.023 N/A THR 367.A N THR 363.A O no hydrogen 3.175 N/A THR 367.A OG1 THR 363.A O no hydrogen 3.331 N/A THR 367.A OG1 TYR 364.A O no hydrogen 3.176 N/A THR 368.A N TYR 364.A O no hydrogen 2.898 N/A SER 369.A N LYS 366.A O no hydrogen 3.322 N/A GLN 375.A N GLY 371.A O no hydrogen 3.024 N/A LEU 376.A N ALA 372.A O no hydrogen 2.979 N/A ALA 377.A N ILE 373.A O no hydrogen 3.076 N/A LYS 378.A N LYS 374.A O no hydrogen 3.126 N/A LEU 379.A N GLN 375.A O no hydrogen 3.041 N/A MET 380.A N LEU 376.A O no hydrogen 3.049 N/A LEU 381.A N ALA 377.A O no hydrogen 3.112 N/A ASN 382.A N LYS 378.A O no hydrogen 2.850 N/A SER 383.A OG LEU 379.A O no hydrogen 3.049 N/A TYR 385.A OH TYR 221.A OH no hydrogen 3.175 N/A LYS 387.A N LEU 384.A O no hydrogen 2.982 N/A PHE 388.A N TYR 385.A O no hydrogen 2.926 N/A ALA 389.A N GLY 386.A O no hydrogen 3.173 N/A ASP 393.A N ASN 391.A OD1 no hydrogen 2.788 N/A VAL 394.A N GLU 415.A O no hydrogen 2.908 N/A THR 395.A N ASP 393.A OD1 no hydrogen 2.868 N/A THR 395.A OG1 ASP 393.A OD1 no hydrogen 2.726 N/A THR 395.A OG1 GLU 414.A OE1 no hydrogen 3.434 N/A LYS 397.A N ILE 89.A O no hydrogen 2.715 N/A LYS 397.A NZ ARG 91.A O no hydrogen 3.286 N/A VAL 398.A N ARG 410.A O no hydrogen 2.641 N/A TYR 400.A N GLY 408.A O no hydrogen 2.912 N/A LYS 402.A N ALA 406.A O no hydrogen 2.792 N/A GLY 405.A N LYS 402.A O no hydrogen 3.082 N/A GLY 408.A N TYR 400.A O no hydrogen 2.936 N/A ARG 410.A N VAL 398.A O no hydrogen 2.970 N/A GLY 412.A N GLY 396.A O no hydrogen 2.837 N/A GLU 415.A N THR 395.A OG1 no hydrogen 3.291 N/A LYS 417.A N PRO 392.A O no hydrogen 2.773 N/A TYR 421.A OH GLY 261.A O no hydrogen 2.633 N/A THR 422.A OG1 ASP 214.A OD2 no hydrogen 2.715 N/A MET 424.A N TYR 421.A O no hydrogen 3.251 N/A VAL 426.A N THR 422.A O no hydrogen 3.035 N/A PHE 427.A N PRO 423.A O no hydrogen 3.053 N/A ILE 428.A N MET 424.A O no hydrogen 3.011 N/A THR 429.A N GLY 425.A O no hydrogen 3.304 N/A THR 429.A OG1 GLY 425.A O no hydrogen 2.996 N/A THR 429.A OG1 VAL 426.A O no hydrogen 3.036 N/A ALA 430.A N VAL 426.A O no hydrogen 3.027 N/A TRP 431.A N PHE 427.A O no hydrogen 2.891 N/A TRP 431.A NE1 LEU 257.A O no hydrogen 2.901 N/A ALA 432.A N ILE 428.A O no hydrogen 2.924 N/A ARG 433.A N THR 429.A O no hydrogen 2.746 N/A ARG 433.A NE ASP 327.A OD1 no hydrogen 2.938 N/A ARG 433.A NH2 ASP 327.A OD1 no hydrogen 2.993 N/A ARG 433.A NH2 ASP 327.A OD2 no hydrogen 3.034 N/A TYR 434.A N ALA 430.A O no hydrogen 2.846 N/A THR 435.A N TRP 431.A O no hydrogen 2.918 N/A THR 435.A OG1 GLN 252.A OE1 no hydrogen 3.299 N/A THR 435.A OG1 TRP 431.A O no hydrogen 2.969 N/A THR 436.A N ALA 432.A O no hydrogen 3.175 N/A THR 436.A OG1 THR 452.A O no hydrogen 2.547 N/A ILE 437.A N ARG 433.A O no hydrogen 2.813 N/A THR 438.A N TYR 434.A O no hydrogen 2.978 N/A THR 438.A OG1 TYR 434.A O no hydrogen 2.884 N/A ALA 439.A N THR 435.A O no hydrogen 3.405 N/A ALA 440.A N THR 436.A O no hydrogen 2.900 N/A GLN 441.A N ILE 437.A O no hydrogen 2.774 N/A GLN 441.A NE2 GLY 292.A O no hydrogen 2.968 N/A ALA 442.A N THR 438.A O no hydrogen 3.088 N/A CYS 443.A N ALA 440.A O no hydrogen 3.111 N/A CYS 443.A SG ALA 439.A O no hydrogen 3.397 N/A TYR 444.A N GLN 441.A O no hydrogen 2.831 N/A ARG 446.A N CYS 443.A O no hydrogen 2.802 N/A ARG 446.A NE THR 458.A O no hydrogen 2.857 N/A ARG 446.A NH1 GLU 461.A O no hydrogen 3.091 N/A ARG 446.A NH2 THR 458.A O no hydrogen 2.822 N/A ARG 446.A NH2 GLU 461.A O no hydrogen 2.581 N/A ILE 447.A N CYS 443.A O no hydrogen 2.909 N/A ILE 448.A N HIS 456.A O no hydrogen 2.865 N/A TYR 449.A OH ASP 451.A OD2 no hydrogen 3.212 N/A CYS 450.A N TRP 227.A O no hydrogen 2.790 N/A ASP 451.A N SER 454.A O no hydrogen 3.096 N/A THR 452.A N PHE 225.A O no hydrogen 2.716 N/A SER 454.A N ASP 451.A O no hydrogen 3.102 N/A SER 454.A OG ASP 451.A O no hydrogen 3.564 N/A ILE 455.A N PHE 243.A O no hydrogen 2.879 N/A HIS 456.A N TYR 449.A O no hydrogen 2.889 N/A HIS 456.A ND1 TYR 489.A OH no hydrogen 2.752 N/A LEU 457.A N MET 241.A O no hydrogen 2.782 N/A THR 458.A N ARG 446.A O no hydrogen 2.786 N/A GLY 459.A N GLU 239.A O no hydrogen 3.037 N/A ILE 466.A N PRO 463.A O no hydrogen 3.000 N/A LYS 467.A N ASP 464.A O no hydrogen 3.049 N/A ILE 469.A N ILE 466.A O no hydrogen 2.888 N/A VAL 470.A N LYS 467.A O no hydrogen 3.443 N/A ASP 471.A N TRP 478.A O no hydrogen 2.683 N/A LYS 473.A N ASP 471.A OD1 no hydrogen 2.727 N/A LYS 474.A N ASP 471.A OD1 no hydrogen 2.788 N/A GLY 476.A N ASN 246.A O no hydrogen 2.810 N/A TYR 477.A N LYS 474.A O no hydrogen 3.236 N/A TRP 478.A N ILE 469.A O no hydrogen 2.971 N/A ALA 479.A N ASP 244.A O no hydrogen 2.699 N/A GLU 481.A N VAL 242.A O no hydrogen 2.817 N/A SER 482.A N VAL 242.A O no hydrogen 3.440 N/A PHE 484.A N GLY 240.A O no hydrogen 2.727 N/A LYS 485.A N ASP 498.A O no hydrogen 2.800 N/A ARG 486.A NE ASP 498.A OD2 no hydrogen 3.260 N/A ARG 486.A NH1 GLU 236.A OE2 no hydrogen 3.435 N/A ALA 487.A N ILE 237.A O no hydrogen 3.221 N/A LYS 488.A N ILE 496.A O no hydrogen 3.064 N/A TYR 489.A OH HIS 456.A ND1 no hydrogen 2.752 N/A LEU 490.A N THR 494.A O no hydrogen 2.775 N/A ARG 491.A N THR 494.A O no hydrogen 3.377 N/A ARG 491.A NH2 LYS 570.A OXT no hydrogen 2.733 N/A LYS 493.A N TYR 449.A OH no hydrogen 2.968 N/A THR 494.A N ARG 491.A O no hydrogen 2.797 N/A THR 494.A OG1 GLN 492.A O no hydrogen 3.314 N/A TYR 495.A N LYS 524.A O no hydrogen 2.865 N/A ILE 496.A N LYS 488.A O no hydrogen 3.004 N/A GLN 497.A N SER 522.A O no hydrogen 3.002 N/A GLN 497.A NE2 TYR 489.A OH no hydrogen 2.940 N/A ASP 498.A N ARG 486.A O no hydrogen 2.935 N/A ILE 499.A N LYS 520.A O no hydrogen 2.843 N/A TYR 500.A N THR 483.A O no hydrogen 2.995 N/A TYR 500.A OH GLU 239.A OE2 no hydrogen 2.713 N/A MET 501.A N ASP 518.A O no hydrogen 2.725 N/A LYS 502.A N VAL 509.A O no hydrogen 2.647 N/A LYS 502.A NZ ASP 515.A OD1 no hydrogen 3.250 N/A VAL 504.A N LYS 507.A O no hydrogen 3.023 N/A LYS 507.A N ASP 505.A O no hydrogen 2.408 N/A VAL 509.A N LYS 502.A O no hydrogen 2.790 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.544 N/A GLY 511.A N TYR 500.A O no hydrogen 2.845 N/A SER 512.A N ASP 515.A O no hydrogen 2.997 N/A ASP 515.A N SER 512.A OG no hydrogen 3.341 N/A THR 517.A N MET 501.A O no hydrogen 2.725 N/A ASP 518.A N MET 501.A O no hydrogen 2.962 N/A LYS 520.A N ILE 499.A O no hydrogen 2.850 N/A SER 522.A N GLN 497.A O no hydrogen 3.034 N/A LYS 524.A N TYR 495.A O no hydrogen 2.894 N/A CYS 525.A SG ALA 526.A O no hydrogen 4.014 N/A MET 528.A N CYS 525.A O no hydrogen 3.148 N/A ILE 532.A N THR 529.A OG1 no hydrogen 3.207 N/A LYS 533.A N THR 529.A O no hydrogen 3.007 N/A LYS 533.A NZ VAL 523.A O no hydrogen 2.748 N/A GLU 535.A N ILE 532.A O no hydrogen 2.821 N/A VAL 536.A N LYS 533.A O no hydrogen 2.945 N/A THR 537.A N ASN 540.A OD1 no hydrogen 2.581 N/A GLU 539.A N GLU 539.A OE1 no hydrogen 2.711 N/A ASN 540.A N THR 537.A OG1 no hydrogen 3.380 N/A ASN 540.A ND2 GLU 535.A O no hydrogen 2.919 N/A PHE 541.A N THR 537.A O no hydrogen 3.309 N/A GLY 544.A N ILE 569.A O no hydrogen 2.984 N/A PHE 545.A N LYS 542.A O no hydrogen 3.067 N/A SER 546.A OG PHE 567.A O no hydrogen 3.395 N/A SER 546.A OG THR 568.A OG1 no hydrogen 3.410 N/A ARG 547.A N PHE 567.A O no hydrogen 3.019 N/A ARG 547.A NE SER 546.A O no hydrogen 2.826 N/A ARG 547.A NH1 GLU 535.A OE1 no hydrogen 2.587 N/A LYS 550.A N ASP 565.A O no hydrogen 3.064 N/A LYS 552.A N VAL 563.A O no hydrogen 2.643 N/A VAL 554.A N VAL 561.A O no hydrogen 2.822 N/A VAL 556.A N GLY 559.A O no hydrogen 2.956 N/A GLY 558.A N ASN 67.A OD1 no hydrogen 3.200 N/A GLY 559.A N VAL 556.A O no hydrogen 3.252 N/A VAL 561.A N VAL 554.A O no hydrogen 2.989 N/A VAL 563.A N LYS 552.A O no hydrogen 2.862 N/A ASP 565.A N LYS 550.A O no hydrogen 2.675 N/A PHE 567.A N ARG 547.A O no hydrogen 2.803 N/A THR 568.A OG1 SER 546.A OG no hydrogen 3.410 N/A ILE 569.A N PHE 545.A O no hydrogen 2.994 N/A