Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tpp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 2.A O no hydrogen 3.088 N/A ASN 2.A ND2 HIS 130.A O no hydrogen 3.662 N/A ASP 6.A N VAL 53.A O no hydrogen 3.216 N/A PHE 7.A N VAL 53.A O no hydrogen 2.944 N/A VAL 8.A N PHE 127.A O no hydrogen 3.169 N/A ILE 9.A N VAL 51.A O no hydrogen 2.888 N/A HIS 10.A N SER 125.A O no hydrogen 3.402 N/A TYR 11.A OH ALA 21.A O no hydrogen 2.253 N/A VAL 13.A N GLU 47.A O no hydrogen 3.439 N/A ALA 21.A N GLU 17.A O no hydrogen 2.708 N/A GLU 22.A N ARG 18.A O no hydrogen 3.134 N/A ALA 23.A N ASP 19.A O no hydrogen 2.882 N/A GLY 24.A N GLU 20.A O no hydrogen 2.952 N/A PHE 25.A N ALA 21.A O no hydrogen 2.851 N/A VAL 26.A N GLU 22.A O no hydrogen 3.042 N/A GLN 27.A N ALA 23.A O no hydrogen 3.017 N/A LEU 28.A N GLY 24.A O no hydrogen 2.722 N/A ILE 29.A N PHE 25.A O no hydrogen 2.830 N/A ARG 30.A N VAL 26.A O no hydrogen 2.992 N/A ARG 30.A N GLN 27.A O no hydrogen 2.956 N/A ALA 31.A N GLN 27.A O no hydrogen 2.749 N/A LEU 32.A N LEU 28.A O no hydrogen 3.143 N/A THR 33.A N ARG 30.A O no hydrogen 2.924 N/A THR 33.A OG1 ILE 29.A O no hydrogen 2.373 N/A THR 33.A OG1 ARG 30.A O no hydrogen 3.203 N/A ALA 38.A N LYS 54.A O no hydrogen 2.913 N/A GLU 40.A N PHE 52.A O no hydrogen 2.943 N/A ARG 42.A N LEU 50.A O no hydrogen 2.855 N/A ARG 42.A NH1 VAL 41.A O no hydrogen 2.779 N/A SER 48.A N GLY 44.A O no hydrogen 2.922 N/A SER 48.A OG GLU 45.A O no hydrogen 2.883 N/A LEU 49.A N HIS 10.A O no hydrogen 3.410 N/A LEU 50.A N ARG 42.A O no hydrogen 2.953 N/A VAL 51.A N ILE 9.A O no hydrogen 2.934 N/A PHE 52.A N GLU 40.A O no hydrogen 2.857 N/A VAL 53.A N PHE 7.A O no hydrogen 2.916 N/A LYS 54.A N ALA 38.A O no hydrogen 3.296 N/A LYS 54.A NZ GLU 40.A OE2 no hydrogen 2.780 N/A ALA 62.A N PRO 58.A O no hydrogen 2.889 N/A LYS 63.A N ASP 59.A O no hydrogen 2.910 N/A GLN 64.A N LEU 60.A O no hydrogen 2.925 N/A VAL 65.A N PHE 61.A O no hydrogen 2.875 N/A TYR 66.A N ALA 62.A O no hydrogen 2.912 N/A ARG 67.A N LYS 63.A O no hydrogen 2.901 N/A ALA 68.A N GLN 64.A O no hydrogen 2.922 N/A ARG 69.A N VAL 65.A O no hydrogen 2.902 N/A LEU 70.A N TYR 66.A O no hydrogen 2.899 N/A GLY 71.A N ARG 67.A O no hydrogen 2.901 N/A ASP 72.A N ALA 68.A O no hydrogen 2.947 N/A TRP 73.A N ARG 69.A O no hydrogen 2.904 N/A LEU 74.A N LEU 70.A O no hydrogen 2.914 N/A GLY 76.A N TRP 73.A O no hydrogen 3.313 N/A VAL 77.A N ASP 72.A O no hydrogen 2.984 N/A GLU 87.A N ALA 83.A O no hydrogen 2.922 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.486 N/A ALA 92.A N ASP 158.A O no hydrogen 3.297 N/A ARG 94.A N VAL 90.A O no hydrogen 2.969 N/A ARG 94.A NH2 ASP 6.A OD2 no hydrogen 2.920 N/A LEU 95.A N GLU 91.A O no hydrogen 2.910 N/A ARG 96.A N ALA 92.A O no hydrogen 2.923 N/A LEU 97.A N GLU 93.A O no hydrogen 2.898 N/A ILE 98.A N ARG 94.A O no hydrogen 2.952 N/A TYR 99.A N LEU 95.A O no hydrogen 2.911 N/A LEU 100.A N ARG 96.A O no hydrogen 2.883 N/A MET 101.A N LEU 97.A O no hydrogen 2.900 N/A ILE 102.A N ILE 98.A O no hydrogen 2.934 N/A THR 103.A N TYR 99.A O no hydrogen 2.897 N/A THR 103.A N LEU 100.A O no hydrogen 3.047 N/A THR 103.A OG1 TYR 99.A O no hydrogen 3.070 N/A LYS 104.A N LEU 100.A O no hydrogen 2.548 N/A GLU 108.A N PRO 105.A O no hydrogen 3.452 N/A GLY 109.A N HIS 106.A O no hydrogen 3.379 N/A GLY 110.A N PRO 105.A O no hydrogen 3.259 N/A ALA 111.A N MET 101.A O no hydrogen 3.297 N/A VAL 113.A N ILE 102.A O no hydrogen 3.411 N/A ASN 117.A ND2 PRO 238.A O no hydrogen 2.921 N/A LYS 121.A N LYS 119.A O no hydrogen 2.712 N/A PHE 127.A N VAL 8.A O no hydrogen 3.289 N/A HIS 130.A NE2 SER 478.A O no hydrogen 3.040 N/A ASN 135.A N SER 131.A O no hydrogen 3.020 N/A ASN 135.A ND2 HIS 130.A ND1 no hydrogen 3.451 N/A LYS 136.A N HIS 132.A O no hydrogen 2.902 N/A GLU 137.A N SER 133.A O no hydrogen 2.956 N/A TRP 138.A N PHE 134.A O no hydrogen 2.849 N/A ILE 139.A N ASN 135.A O no hydrogen 2.928 N/A LYS 140.A N LYS 136.A O no hydrogen 2.942 N/A LYS 141.A N GLU 137.A O no hydrogen 2.886 N/A TRP 142.A N TRP 138.A O no hydrogen 2.926 N/A SER 143.A N ILE 139.A O no hydrogen 2.931 N/A SER 143.A OG ILE 139.A O no hydrogen 3.046 N/A SER 144.A N LYS 141.A O no hydrogen 3.400 N/A LYS 145.A NZ GLU 149.A OE1 no hydrogen 2.426 N/A LYS 145.A NZ GLU 149.A OE2 no hydrogen 3.303 N/A LYS 145.A NZ ASP 152.A OD2 no hydrogen 2.516 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.760 N/A THR 151.A OG1 ASP 152.A OD1 no hydrogen 3.272 N/A ASP 152.A N GLU 149.A O no hydrogen 3.248 N/A ASP 154.A N GLN 150.A O no hydrogen 2.910 N/A ASN 155.A N THR 151.A O no hydrogen 2.891 N/A ILE 156.A N ASP 152.A O no hydrogen 2.931 N/A ARG 157.A N ILE 153.A O no hydrogen 2.890 N/A ARG 157.A NE GLU 162.A OE2 no hydrogen 2.893 N/A ARG 157.A NH2 GLU 162.A OE2 no hydrogen 2.662 N/A ASP 158.A N ASP 154.A O no hydrogen 2.881 N/A LYS 159.A N ASN 155.A O no hydrogen 2.959 N/A PHE 160.A N ILE 156.A O no hydrogen 2.882 N/A PHE 166.A N GLU 162.A O no hydrogen 2.891 N/A TYR 167.A N SER 163.A O no hydrogen 2.948 N/A TYR 167.A OH ASP 470.A OD2 no hydrogen 2.228 N/A PHE 168.A N VAL 164.A O no hydrogen 2.926 N/A ALA 169.A N ALA 165.A O no hydrogen 2.903 N/A PHE 170.A N PHE 166.A O no hydrogen 2.911 N/A LEU 171.A N TYR 167.A O no hydrogen 2.908 N/A ARG 172.A N PHE 168.A O no hydrogen 2.901 N/A ARG 172.A NH1 LEU 148.A O no hydrogen 2.466 N/A SER 173.A N ALA 169.A O no hydrogen 2.932 N/A SER 173.A OG GLN 217.A OE1 no hydrogen 3.270 N/A TYR 174.A N PHE 170.A O no hydrogen 2.898 N/A PHE 175.A N LEU 171.A O no hydrogen 2.889 N/A ARG 176.A N ARG 172.A O no hydrogen 2.929 N/A PHE 177.A N SER 173.A O no hydrogen 2.906 N/A LEU 178.A N TYR 174.A O no hydrogen 2.914 N/A SER 182.A N LEU 178.A O no hydrogen 3.314 N/A SER 182.A OG LEU 178.A O no hydrogen 2.885 N/A ALA 183.A N VAL 179.A O no hydrogen 2.997 N/A PHE 184.A N ILE 180.A O no hydrogen 2.931 N/A GLY 185.A N PRO 181.A O no hydrogen 2.846 N/A PHE 186.A N SER 182.A O no hydrogen 2.917 N/A GLY 187.A N ALA 183.A O no hydrogen 2.916 N/A ALA 188.A N PHE 184.A O no hydrogen 2.903 N/A TRP 189.A N GLY 185.A O no hydrogen 2.872 N/A LEU 190.A N PHE 186.A O no hydrogen 2.919 N/A LEU 191.A N GLY 187.A O no hydrogen 3.358 N/A TYR 197.A OH SER 524.A O no hydrogen 3.125 N/A TYR 197.A OH SER 524.A OG no hydrogen 3.418 N/A TYR 199.A OH SER 449.A OG no hydrogen 3.331 N/A ALA 200.A N SER 196.A O no hydrogen 3.461 N/A LEU 201.A N TYR 197.A O no hydrogen 2.982 N/A LEU 202.A N LEU 198.A O no hydrogen 2.920 N/A CYS 203.A N TYR 199.A O no hydrogen 2.885 N/A CYS 203.A SG TYR 199.A O no hydrogen 3.643 N/A CYS 203.A SG SER 449.A OG no hydrogen 3.310 N/A GLY 204.A N ALA 200.A O no hydrogen 2.978 N/A LEU 205.A N LEU 201.A O no hydrogen 2.962 N/A TRP 206.A N LEU 202.A O no hydrogen 2.888 N/A TRP 206.A NE1 PHE 177.A O no hydrogen 2.873 N/A SER 207.A N CYS 203.A O no hydrogen 2.928 N/A SER 207.A OG CYS 203.A O no hydrogen 2.800 N/A SER 207.A OG GLY 204.A O no hydrogen 2.548 N/A VAL 208.A N GLY 204.A O no hydrogen 3.026 N/A VAL 209.A N LEU 205.A O no hydrogen 2.945 N/A PHE 210.A N TRP 206.A O no hydrogen 2.886 N/A PHE 211.A N SER 207.A O no hydrogen 2.963 N/A GLU 212.A N VAL 208.A O no hydrogen 3.014 N/A TYR 213.A N VAL 209.A O no hydrogen 2.924 N/A TRP 214.A N PHE 210.A O no hydrogen 2.893 N/A LYS 215.A N PHE 211.A O no hydrogen 2.983 N/A LYS 216.A N GLU 212.A O no hydrogen 3.008 N/A LYS 216.A NZ ASP 220.A OD2 no hydrogen 3.320 N/A GLN 217.A N TYR 213.A O no hydrogen 2.896 N/A GLU 218.A N TRP 214.A O no hydrogen 2.873 N/A VAL 219.A N LYS 215.A O no hydrogen 2.998 N/A ASP 220.A N LYS 216.A O no hydrogen 2.986 N/A LEU 221.A N GLN 217.A O no hydrogen 2.877 N/A ALA 222.A N GLU 218.A O no hydrogen 2.902 N/A VAL 223.A N VAL 219.A O no hydrogen 2.972 N/A GLN 224.A N ASP 220.A O no hydrogen 2.912 N/A TRP 225.A N LEU 221.A O no hydrogen 3.095 N/A TRP 225.A NE1 ASP 154.A OD1 no hydrogen 3.048 N/A GLY 226.A N VAL 223.A O no hydrogen 3.208 N/A VAL 227.A N ALA 222.A O no hydrogen 3.224 N/A SER 232.A N GLY 229.A O no hydrogen 3.233 N/A SER 232.A OG GLY 229.A O no hydrogen 3.521 N/A ILE 233.A N VAL 230.A O no hydrogen 3.136 N/A ARG 237.A N ALA 324.A O no hydrogen 3.242 N/A ARG 237.A NH1 TYR 323.A O no hydrogen 2.840 N/A PHE 240.A N ARG 237.A O no hydrogen 3.130 N/A VAL 252.A N HIS 244.A O no hydrogen 3.439 N/A LYS 257.A N PRO 254.A O no hydrogen 3.206 N/A ARG 258.A NE ASN 322.A O no hydrogen 2.919 N/A ARG 258.A NH2 ASN 322.A O no hydrogen 2.835 N/A VAL 259.A N PRO 255.A O no hydrogen 2.926 N/A LYS 260.A N MET 256.A O no hydrogen 2.887 N/A THR 261.A N LYS 257.A O no hydrogen 2.926 N/A THR 261.A OG1 LYS 257.A O no hydrogen 3.053 N/A GLN 262.A N ARG 258.A O no hydrogen 2.869 N/A GLN 262.A NE2 GLU 321.A OE2 no hydrogen 3.199 N/A LEU 263.A N VAL 259.A O no hydrogen 2.939 N/A LEU 264.A N THR 261.A O no hydrogen 3.147 N/A GLN 265.A N GLN 262.A O no hydrogen 2.930 N/A ALA 269.A N GLN 265.A O no hydrogen 2.930 N/A LEU 270.A N ILE 266.A O no hydrogen 2.928 N/A ALA 271.A N PRO 267.A O no hydrogen 2.904 N/A CYS 272.A N PHE 268.A O no hydrogen 2.930 N/A CYS 272.A SG PHE 268.A O no hydrogen 3.245 N/A VAL 273.A N ALA 269.A O no hydrogen 2.907 N/A VAL 274.A N LEU 270.A O no hydrogen 2.926 N/A ALA 275.A N ALA 271.A O no hydrogen 2.941 N/A LEU 276.A N CYS 272.A O no hydrogen 2.929 N/A GLY 277.A N VAL 273.A O no hydrogen 2.868 N/A ALA 278.A N VAL 274.A O no hydrogen 2.927 N/A LEU 279.A N ALA 275.A O no hydrogen 2.943 N/A ILE 280.A N LEU 276.A O no hydrogen 2.925 N/A VAL 281.A N GLY 277.A O no hydrogen 2.911 N/A THR 282.A N ALA 278.A O no hydrogen 2.918 N/A THR 282.A OG1 ALA 278.A O no hydrogen 2.536 N/A CYS 283.A N LEU 279.A O no hydrogen 2.942 N/A CYS 283.A SG PRO 295.A O no hydrogen 3.157 N/A ASN 284.A N ILE 280.A O no hydrogen 2.895 N/A SER 285.A N VAL 281.A O no hydrogen 2.884 N/A SER 285.A OG THR 282.A O no hydrogen 2.766 N/A LEU 286.A N THR 282.A O no hydrogen 2.932 N/A GLU 287.A N CYS 283.A O no hydrogen 2.923 N/A VAL 288.A N ASN 284.A O no hydrogen 2.897 N/A PHE 289.A N SER 285.A O no hydrogen 2.897 N/A ILE 290.A N LEU 286.A O no hydrogen 2.911 N/A ASN 291.A N GLU 287.A O no hydrogen 2.910 N/A GLU 292.A N VAL 288.A O no hydrogen 2.887 N/A VAL 293.A N PHE 289.A O no hydrogen 3.145 N/A PHE 298.A N LEU 294.A O no hydrogen 2.878 N/A LEU 299.A N PRO 295.A O no hydrogen 2.909 N/A VAL 300.A N THR 296.A O no hydrogen 2.900 N/A ILE 301.A N ILE 297.A O no hydrogen 2.909 N/A GLY 302.A N PHE 298.A O no hydrogen 2.894 N/A GLY 302.A N LEU 299.A O no hydrogen 3.229 N/A THR 303.A N LEU 299.A O no hydrogen 2.926 N/A SER 307.A N THR 303.A O no hydrogen 2.912 N/A GLY 308.A N PRO 304.A O no hydrogen 2.875 N/A VAL 309.A N THR 305.A O no hydrogen 2.962 N/A LEU 310.A N ILE 306.A O no hydrogen 2.942 N/A MET 311.A N SER 307.A O no hydrogen 2.864 N/A GLY 312.A N GLY 308.A O no hydrogen 2.932 N/A ALA 313.A N VAL 309.A O no hydrogen 2.990 N/A ALA 314.A N LEU 310.A O no hydrogen 2.888 N/A GLU 315.A N MET 311.A O no hydrogen 2.929 N/A LYS 316.A N GLY 312.A O no hydrogen 2.941 N/A LEU 317.A N ALA 313.A O no hydrogen 2.938 N/A ASN 318.A N ALA 314.A O no hydrogen 2.910 N/A ASN 318.A ND2 HIS 329.A O no hydrogen 3.405 N/A ALA 319.A N GLU 315.A O no hydrogen 2.918 N/A MET 320.A N LYS 316.A O no hydrogen 2.925 N/A GLU 321.A N LEU 317.A O no hydrogen 2.976 N/A TYR 323.A OH GLU 321.A OE2 no hydrogen 2.582 N/A THR 325.A OG1 ASP 327.A OD1 no hydrogen 2.832 N/A VAL 326.A N GLN 235.A O no hydrogen 3.265 N/A ALA 328.A N ASP 327.A OD1 no hydrogen 2.578 N/A HIS 329.A N THR 325.A O no hydrogen 3.273 N/A ASP 330.A N VAL 326.A O no hydrogen 2.912 N/A ALA 331.A N ASP 327.A O no hydrogen 2.892 N/A ALA 332.A N ALA 328.A O no hydrogen 2.933 N/A LEU 333.A N HIS 329.A O no hydrogen 2.961 N/A ILE 334.A N ASP 330.A O no hydrogen 2.888 N/A GLN 335.A N ALA 331.A O no hydrogen 2.913 N/A LYS 336.A N ALA 332.A O no hydrogen 3.005 N/A LYS 336.A NZ ASN 318.A OD1 no hydrogen 3.147 N/A GLN 337.A N LEU 333.A O no hydrogen 2.922 N/A PHE 338.A N ILE 334.A O no hydrogen 2.881 N/A VAL 339.A N GLN 335.A O no hydrogen 2.961 N/A LEU 340.A N LYS 336.A O no hydrogen 3.021 N/A ASN 341.A N GLN 337.A O no hydrogen 2.934 N/A PHE 342.A N PHE 338.A O no hydrogen 2.850 N/A MET 343.A N VAL 339.A O no hydrogen 3.004 N/A THR 344.A N LEU 340.A O no hydrogen 2.964 N/A THR 344.A OG1 LEU 340.A O no hydrogen 3.300 N/A SER 345.A N ASN 341.A O no hydrogen 2.895 N/A SER 345.A OG TYR 444.A OH no hydrogen 2.482 N/A TYR 346.A N MET 343.A O no hydrogen 3.330 N/A TYR 346.A OH MET 440.A O no hydrogen 2.968 N/A MET 347.A N MET 343.A O no hydrogen 2.994 N/A PHE 350.A N TYR 346.A O no hydrogen 2.974 N/A PHE 351.A N MET 347.A O no hydrogen 2.886 N/A THR 352.A N ALA 348.A O no hydrogen 2.949 N/A THR 352.A OG1 ALA 348.A O no hydrogen 3.044 N/A ALA 353.A N LEU 349.A O no hydrogen 2.914 N/A PHE 354.A N PHE 350.A O no hydrogen 2.913 N/A VAL 355.A N PHE 351.A O no hydrogen 3.122 N/A TYR 356.A N PHE 351.A O no hydrogen 3.178 N/A LEU 367.A N LEU 363.A O no hydrogen 3.284 N/A ASN 368.A N HIS 364.A O no hydrogen 2.906 N/A PHE 369.A N PRO 365.A O no hydrogen 2.885 N/A TRP 370.A N PHE 366.A O no hydrogen 2.914 N/A ARG 371.A N LEU 367.A O no hydrogen 2.824 N/A ALA 378.A N ASN 375.A O no hydrogen 3.207 N/A SER 380.A OG ALA 451.A O no hydrogen 3.408 N/A ASN 381.A ND2 ALA 377.A O no hydrogen 3.387 N/A GLN 382.A N ALA 378.A O no hydrogen 2.949 N/A MET 383.A N ILE 379.A O no hydrogen 2.595 N/A PHE 384.A N SER 380.A O no hydrogen 3.161 N/A TYR 385.A N ASN 381.A O no hydrogen 3.016 N/A PHE 386.A N MET 383.A O no hydrogen 2.932 N/A THR 387.A N MET 383.A O no hydrogen 2.935 N/A THR 387.A N PHE 384.A O no hydrogen 2.956 N/A THR 387.A OG1 MET 383.A O no hydrogen 3.383 N/A VAL 388.A N PHE 384.A O no hydrogen 3.152 N/A THR 389.A OG1 TYR 385.A O no hydrogen 2.848 N/A GLN 391.A N THR 387.A O no hydrogen 2.854 N/A ILE 392.A N VAL 388.A O no hydrogen 2.962 N/A ILE 392.A N THR 389.A O no hydrogen 2.948 N/A VAL 393.A N THR 389.A O no hydrogen 2.997 N/A ASN 394.A N ALA 390.A O no hydrogen 2.779 N/A PHE 395.A N ILE 392.A O no hydrogen 2.930 N/A ALA 396.A N VAL 393.A O no hydrogen 2.912 N/A THR 397.A N VAL 393.A O no hydrogen 2.952 N/A VAL 401.A N ALA 396.A O no hydrogen 3.090 N/A ILE 404.A N VAL 400.A O no hydrogen 2.905 N/A LYS 405.A N VAL 401.A O no hydrogen 2.905 N/A GLN 406.A N PRO 402.A O no hydrogen 2.896 N/A GLN 407.A N TYR 403.A O no hydrogen 2.906 N/A ALA 408.A N ILE 404.A O no hydrogen 2.897 N/A PHE 409.A N LYS 405.A O no hydrogen 2.911 N/A GLN 410.A N GLN 406.A O no hydrogen 2.902 N/A LYS 411.A N GLN 407.A O no hydrogen 3.026 N/A LEU 417.A N GLU 413.A O no hydrogen 3.344 N/A GLN 418.A N ALA 414.A O no hydrogen 2.886 N/A ARG 419.A N GLU 415.A O no hydrogen 2.907 N/A ARG 419.A NH2 SER 1.A O no hydrogen 3.439 N/A VAL 420.A N PHE 416.A O no hydrogen 2.928 N/A ARG 421.A N LEU 417.A O no hydrogen 2.889 N/A ARG 421.A NE HIS 43.A O no hydrogen 3.283 N/A ARG 421.A NH2 HIS 43.A O no hydrogen 3.426 N/A GLU 422.A N GLN 418.A O no hydrogen 2.934 N/A GLU 423.A N ARG 419.A O no hydrogen 2.897 N/A CYS 424.A N VAL 420.A O no hydrogen 2.918 N/A CYS 424.A SG ARG 421.A O no hydrogen 3.167 N/A THR 425.A OG1 GLU 422.A O no hydrogen 3.031 N/A LEU 426.A N GLU 423.A O no hydrogen 3.278 N/A TYR 429.A OH ASP 434.A OD2 no hydrogen 2.542 N/A SER 432.A OG ASP 430.A OD2 no hydrogen 2.722 N/A TYR 435.A N VAL 431.A O no hydrogen 3.483 N/A ARG 436.A N SER 432.A O no hydrogen 2.899 N/A GLU 437.A N GLY 433.A O no hydrogen 2.931 N/A MET 438.A N ASP 434.A O no hydrogen 2.941 N/A VAL 439.A N TYR 435.A O no hydrogen 2.901 N/A MET 440.A N ARG 436.A O no hydrogen 2.926 N/A GLN 441.A N GLU 437.A O no hydrogen 2.963 N/A GLN 441.A NE2 ASN 463.A OD1 no hydrogen 2.681 N/A PHE 442.A N MET 438.A O no hydrogen 2.919 N/A GLY 443.A N VAL 439.A O no hydrogen 2.902 N/A TYR 444.A N MET 440.A O no hydrogen 2.917 N/A TYR 444.A OH SER 345.A O no hydrogen 2.981 N/A VAL 445.A N GLN 441.A O no hydrogen 3.000 N/A ALA 446.A N PHE 442.A O no hydrogen 2.862 N/A MET 447.A N GLY 443.A O no hydrogen 2.962 N/A PHE 448.A N TYR 444.A O no hydrogen 2.928 N/A SER 449.A OG TYR 199.A OH no hydrogen 3.331 N/A SER 449.A OG VAL 445.A O no hydrogen 2.926 N/A ALA 455.A N TRP 452.A O no hydrogen 3.046 N/A CYS 457.A SG SER 182.A O no hydrogen 3.168 N/A CYS 458.A SG LEU 454.A O no hydrogen 4.023 N/A PHE 459.A N ALA 455.A O no hydrogen 3.179 N/A LEU 460.A N ALA 456.A O no hydrogen 2.940 N/A VAL 461.A N CYS 457.A O no hydrogen 3.304 N/A ASN 462.A N CYS 458.A O no hydrogen 3.149 N/A ASN 462.A ND2 GLN 441.A OE1 no hydrogen 3.143 N/A ASN 463.A N PHE 459.A O no hydrogen 2.865 N/A TRP 464.A N LEU 460.A O no hydrogen 3.189 N/A VAL 465.A N VAL 461.A O no hydrogen 3.266 N/A GLU 466.A N ASN 462.A O no hydrogen 2.784 N/A LEU 467.A N ASN 463.A O no hydrogen 2.918 N/A ARG 468.A N VAL 465.A O no hydrogen 2.943 N/A ARG 468.A NE TRP 142.A O no hydrogen 2.928 N/A ARG 468.A NH2 TRP 142.A O no hydrogen 3.390 N/A SER 469.A N VAL 465.A O no hydrogen 2.558 N/A ASP 470.A N GLU 466.A O no hydrogen 2.866 N/A LEU 472.A N ARG 468.A O no hydrogen 3.061 N/A LYS 473.A N SER 469.A O no hydrogen 2.962 N/A LYS 473.A NZ ASP 434.A OD1 no hydrogen 2.932 N/A ILE 474.A N ASP 470.A O no hydrogen 3.123 N/A ILE 474.A N ALA 471.A O no hydrogen 2.941 N/A ALA 475.A N ALA 471.A O no hydrogen 2.987 N/A ALA 475.A N LEU 472.A O no hydrogen 2.928 N/A ILE 476.A N LEU 472.A O no hydrogen 3.238 N/A SER 478.A OG LYS 473.A O no hydrogen 3.275 N/A ARG 479.A N GLU 427.A O no hydrogen 3.497 N/A ARG 479.A NE LEU 426.A O no hydrogen 3.368 N/A ARG 479.A NH2 LEU 426.A O no hydrogen 2.659 N/A ARG 480.A NH1 LEU 129.A O no hydrogen 3.338 N/A ARG 480.A NH2 LYS 159.A O no hydrogen 3.060 N/A THR 486.A OG1 SER 488.A O no hydrogen 2.350 N/A SER 488.A OG GLU 218.A OE1 no hydrogen 2.750 N/A SER 488.A OG GLU 218.A OE2 no hydrogen 2.767 N/A LEU 496.A N TRP 492.A O no hydrogen 2.907 N/A SER 497.A N LEU 493.A O no hydrogen 2.941 N/A PHE 498.A N THR 494.A O no hydrogen 2.911 N/A LEU 499.A N ALA 495.A O no hydrogen 2.905 N/A SER 500.A N LEU 496.A O no hydrogen 2.918 N/A SER 500.A OG LEU 496.A O no hydrogen 2.972 N/A TRP 501.A N SER 497.A O no hydrogen 2.978 N/A LEU 502.A N PHE 498.A O no hydrogen 2.913 N/A GLY 503.A N LEU 499.A O no hydrogen 2.862 N/A SER 504.A N SER 500.A O no hydrogen 2.956 N/A SER 504.A OG ALA 528.A O no hydrogen 3.354 N/A ILE 505.A N TRP 501.A O no hydrogen 2.995 N/A THR 506.A N LEU 502.A O no hydrogen 2.862 N/A THR 506.A N GLY 503.A O no hydrogen 3.182 N/A THR 506.A OG1 LEU 502.A O no hydrogen 3.272 N/A SER 507.A N GLY 503.A O no hydrogen 2.931 N/A SER 507.A OG GLY 503.A O no hydrogen 3.188 N/A ILE 510.A N THR 506.A O no hydrogen 2.907 N/A VAL 511.A N SER 507.A O no hydrogen 2.924 N/A TYR 512.A N SER 508.A O no hydrogen 2.934 N/A TYR 512.A OH LYS 517.A O no hydrogen 2.900 N/A LEU 513.A N ALA 509.A O no hydrogen 2.908 N/A CYS 514.A N ILE 510.A O no hydrogen 2.913 N/A CYS 514.A SG ILE 510.A O no hydrogen 3.354 N/A SER 515.A N VAL 511.A O no hydrogen 2.925 N/A SER 515.A OG VAL 511.A O no hydrogen 2.465 N/A LYS 517.A NZ TYR 512.A OH no hydrogen 3.561 N/A LEU 522.A N ALA 518.A O no hydrogen 2.932 N/A LEU 523.A N TRP 519.A O no hydrogen 2.898 N/A SER 524.A N GLY 520.A O no hydrogen 2.922 N/A SER 524.A OG TYR 197.A OH no hydrogen 3.418 N/A ILE 525.A N LEU 521.A O no hydrogen 2.951 N/A LEU 526.A N LEU 522.A O no hydrogen 2.924 N/A PHE 527.A N LEU 523.A O no hydrogen 2.907 N/A ALA 528.A N SER 524.A O no hydrogen 2.954 N/A GLU 529.A N ILE 525.A O no hydrogen 2.949 N/A HIS 530.A N LEU 526.A O no hydrogen 2.966 N/A PHE 531.A N PHE 527.A O no hydrogen 2.903 N/A TYR 532.A N ALA 528.A O no hydrogen 2.936 N/A LEU 533.A N GLU 529.A O no hydrogen 2.972 N/A VAL 534.A N HIS 530.A O no hydrogen 2.934 N/A VAL 535.A N PHE 531.A O no hydrogen 2.905 N/A GLN 536.A N TYR 532.A O no hydrogen 2.910 N/A LEU 537.A N LEU 533.A O no hydrogen 2.975 N/A ALA 538.A N VAL 534.A O no hydrogen 2.919 N/A VAL 539.A N VAL 535.A O no hydrogen 2.890 N/A ARG 540.A N GLN 536.A O no hydrogen 2.957 N/A ARG 540.A NE GLU 212.A OE2 no hydrogen 3.266 N/A PHE 541.A N LEU 537.A O no hydrogen 2.937 N/A VAL 542.A N ALA 538.A O no hydrogen 2.915 N/A LEU 543.A N VAL 539.A O no hydrogen 2.903 N/A SER 544.A N ARG 540.A O no hydrogen 2.936 N/A SER 544.A OG PHE 541.A O no hydrogen 2.964 N/A LYS 545.A N VAL 542.A O no hydrogen 3.157 N/A LYS 545.A NZ SER 544.A OG no hydrogen 3.399 N/A LEU 546.A N LEU 543.A O no hydrogen 3.457 N/A LYS 552.A N PRO 548.A O no hydrogen 2.912 N/A GLU 553.A N GLY 549.A O no hydrogen 2.931 N/A ARG 554.A N LEU 550.A O no hydrogen 2.869 N/A LYS 555.A N GLN 551.A O no hydrogen 2.896 N/A GLU 556.A N LYS 552.A O no hydrogen 2.912 N/A ARG 557.A N GLU 553.A O no hydrogen 2.910 N/A PHE 558.A N ARG 554.A O no hydrogen 2.881 N/A GLN 559.A N LYS 555.A O no hydrogen 2.905 N/A THR 560.A N GLU 556.A O no hydrogen 2.857 N/A GLN 565.A N TRP 562.A O no hydrogen 3.496 N/A THR 571.A OG1 GLY 567.A O no hydrogen 3.096 N/A ILE 572.A N MET 568.A O no hydrogen 3.141 N/A GLU 573.A N GLN 569.A O no hydrogen 2.914 N/A ILE 574.A N GLU 570.A O no hydrogen 2.909 N/A GLY 575.A N THR 571.A O no hydrogen 2.899 N/A ARG 576.A N ILE 572.A O no hydrogen 2.890 N/A ARG 577.A N GLU 573.A O no hydrogen 2.937 N/A MET 578.A N ILE 574.A O no hydrogen 2.930 N/A ILE 579.A N GLY 575.A O no hydrogen 2.914 N/A GLU 580.A N ARG 576.A O no hydrogen 2.889 N/A GLN 581.A N ARG 577.A O no hydrogen 2.935 N/A GLN 582.A N MET 578.A O no hydrogen 2.916 N/A