Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N TYR 36.A OH no hydrogen 3.106 N/A CYS 9.A N LYS 6.A O no hydrogen 3.138 N/A CYS 9.A SG LYS 6.A O no hydrogen 3.226 N/A CYS 9.A SG ILE 82.A O no hydrogen 3.987 N/A LEU 11.A N ASN 8.A O no hydrogen 3.223 N/A LEU 13.A N LEU 10.A O no hydrogen 3.235 N/A THR 14.A N SER 49.A OG no hydrogen 2.783 N/A ILE 15.A N ARG 39.A O no hydrogen 2.748 N/A VAL 16.A N VAL 50.A O no hydrogen 3.279 N/A THR 18.A N VAL 52.A O no hydrogen 3.073 N/A VAL 20.A N ASP 55.A O no hydrogen 2.913 N/A ARG 26.A N GLU 25.A OE2 no hydrogen 3.076 N/A ARG 26.A NH2 GLU 30.A OE1 no hydrogen 3.499 N/A SER 29.A N GLU 25.A O no hydrogen 2.723 N/A SER 29.A OG ARG 26.A O no hydrogen 2.749 N/A GLU 30.A N ARG 26.A O no hydrogen 2.891 N/A ALA 31.A N GLY 27.A O no hydrogen 2.923 N/A LEU 32.A N ALA 28.A O no hydrogen 2.897 N/A ALA 33.A N SER 29.A O no hydrogen 2.874 N/A LYS 34.A N GLU 30.A O no hydrogen 2.953 N/A ARG 35.A N LEU 32.A O no hydrogen 3.090 N/A ARG 35.A NH2 HIS 372.A NE2 no hydrogen 2.931 N/A GLY 37.A N LYS 34.A O no hydrogen 3.166 N/A ALA 38.A N ALA 33.A O no hydrogen 3.058 N/A ARG 39.A N LEU 13.A O no hydrogen 2.751 N/A THR 41.A OG1 SER 43.A O no hydrogen 3.239 N/A SER 45.A N THR 48.A OG1 no hydrogen 3.010 N/A LYS 47.A N SER 45.A OG no hydrogen 3.147 N/A THR 48.A N SER 45.A O no hydrogen 3.132 N/A THR 48.A OG1 SER 45.A O no hydrogen 2.967 N/A SER 49.A N THR 14.A O no hydrogen 2.967 N/A SER 49.A OG THR 14.A O no hydrogen 2.799 N/A VAL 50.A N THR 14.A O no hydrogen 3.222 N/A VAL 51.A N LYS 71.A O no hydrogen 3.414 N/A VAL 52.A N VAL 16.A O no hydrogen 2.987 N/A LEU 53.A N ILE 73.A O no hydrogen 2.612 N/A ASP 55.A N VAL 20.A O no hydrogen 3.360 N/A LEU 62.A N GLY 58.A O no hydrogen 3.293 N/A GLU 63.A N PRO 59.A O no hydrogen 2.917 N/A LYS 64.A N LYS 60.A O no hydrogen 2.901 N/A ILE 65.A N LYS 61.A O no hydrogen 2.933 N/A LYS 66.A N LEU 62.A O no hydrogen 2.883 N/A GLN 67.A N GLU 63.A O no hydrogen 2.942 N/A LEU 68.A N LYS 64.A O no hydrogen 2.918 N/A ILE 70.A N ILE 65.A O no hydrogen 3.344 N/A ILE 73.A N VAL 51.A O no hydrogen 2.990 N/A GLU 75.A N ASP 74.A OD2 no hydrogen 2.458 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.544 N/A PHE 78.A N ASP 74.A O no hydrogen 2.925 N/A LYS 79.A N GLU 75.A O no hydrogen 2.914 N/A LYS 79.A NZ SER 1.A O no hydrogen 2.747 N/A GLN 80.A N GLU 76.A O no hydrogen 2.912 N/A LEU 81.A N GLY 77.A O no hydrogen 2.883 N/A ILE 82.A N PHE 78.A O no hydrogen 2.915 N/A ALA 83.A N LYS 79.A O no hydrogen 2.948 N/A GLY 84.A N GLN 80.A O no hydrogen 2.853 N/A MET 85.A N LEU 81.A O no hydrogen 3.394 N/A GLU 88.A N PRO 7.A O no hydrogen 2.906 N/A GLY 90.A N ALA 87.A O no hydrogen 3.179 N/A GLU 94.A N GLU 94.A OE2 no hydrogen 2.663 N/A ALA 96.A N ALA 92.A O no hydrogen 2.917 N/A ARG 97.A N ALA 93.A O no hydrogen 2.911 N/A ARG 97.A NH2 GLY 90.A O no hydrogen 3.484 N/A ARG 98.A N GLU 94.A O no hydrogen 2.881 N/A LYS 99.A N LYS 95.A O no hydrogen 2.932 N/A LEU 100.A N ALA 96.A O no hydrogen 2.892 N/A GLU 101.A N ARG 97.A O no hydrogen 2.893 N/A GLU 102.A N ARG 98.A O no hydrogen 2.903 N/A GLN 103.A N LYS 99.A O no hydrogen 2.940 N/A HIS 104.A N LEU 100.A O no hydrogen 2.933 N/A ASN 105.A N GLU 101.A O no hydrogen 2.888 N/A ILE 106.A N GLU 102.A O no hydrogen 2.912 N/A ALA 107.A N GLN 103.A O no hydrogen 2.903 N/A THR 108.A N HIS 104.A O no hydrogen 2.932 N/A THR 108.A OG1 HIS 104.A O no hydrogen 2.873 N/A LYS 109.A N ASN 105.A O no hydrogen 2.883 N/A GLU 110.A N ILE 106.A O no hydrogen 2.958 N/A ALA 111.A N ALA 107.A O no hydrogen 2.908 N/A GLU 112.A N THR 108.A O no hydrogen 2.935 N/A LEU 113.A N LYS 109.A O no hydrogen 2.931 N/A LEU 114.A N GLU 110.A O no hydrogen 2.872 N/A VAL 115.A N ALA 111.A O no hydrogen 2.970 N/A LYS 116.A N GLU 112.A O no hydrogen 2.920 N/A LYS 117.A N LEU 113.A O no hydrogen 2.939 N/A GLU 118.A N LEU 114.A O no hydrogen 2.939 N/A GLU 119.A N VAL 115.A O no hydrogen 2.893 N/A GLU 120.A N LYS 116.A O no hydrogen 2.911 N/A ARG 121.A N LYS 117.A O no hydrogen 2.892 N/A SER 122.A N GLU 118.A O no hydrogen 2.920 N/A SER 122.A OG GLU 118.A O no hydrogen 3.022 N/A SER 122.A OG GLU 119.A O no hydrogen 2.566 N/A SER 122.A OG GLU 119.A OE1 no hydrogen 3.530 N/A LYS 123.A N GLU 119.A O no hydrogen 2.910 N/A LYS 124.A N GLU 120.A O no hydrogen 2.909 N/A LEU 125.A N ARG 121.A O no hydrogen 2.897 N/A ALA 126.A N SER 122.A O no hydrogen 2.899 N/A ALA 127.A N LYS 123.A O no hydrogen 2.907 N/A THR 128.A N LYS 124.A O no hydrogen 3.040 N/A ASP 134.A N ARG 131.A O no hydrogen 3.135 N/A LYS 135.A N GLU 132.A O no hydrogen 3.247 N/A THR 138.A OG1 ASN 358.A OD1 no hydrogen 2.801 N/A VAL 139.A N LEU 136.A O no hydrogen 3.181 N/A LYS 140.A N LEU 136.A O no hydrogen 2.769 N/A LYS 140.A NZ GLU 132.A O no hydrogen 3.013 N/A TYR 141.A N TRP 137.A O no hydrogen 3.335 N/A TYR 141.A OH GLU 333.A OE1 no hydrogen 2.331 N/A ALA 142.A N VAL 139.A O no hydrogen 3.477 N/A THR 144.A N GLN 148.A OE1 no hydrogen 2.914 N/A THR 144.A OG1 GLN 148.A OE1 no hydrogen 3.119 N/A GLN 148.A N ASN 145.A O no hydrogen 3.171 N/A GLN 148.A NE2 THR 144.A OG1 no hydrogen 3.251 N/A VAL 149.A N LEU 146.A O no hydrogen 3.169 N/A CYS 150.A SG GLN 148.A O no hydrogen 3.448 N/A CYS 150.A SG SER 321.A O no hydrogen 3.816 N/A ASN 152.A ND2 ARG 315.A O no hydrogen 2.938 N/A SER 155.A OG GLN 313.A O no hydrogen 2.731 N/A VAL 156.A N ASN 152.A O no hydrogen 3.101 N/A MET 157.A N LYS 153.A O no hydrogen 2.908 N/A LYS 158.A N GLY 154.A O no hydrogen 2.895 N/A LYS 158.A NZ ASP 311.A O no hydrogen 3.163 N/A LEU 159.A N SER 155.A O no hydrogen 2.919 N/A LYS 160.A N VAL 156.A O no hydrogen 2.891 N/A ASN 161.A N MET 157.A O no hydrogen 2.910 N/A ASN 161.A ND2 MET 157.A O no hydrogen 2.608 N/A TRP 162.A N LYS 158.A O no hydrogen 2.916 N/A TRP 162.A NE1 PHE 185.A O no hydrogen 2.961 N/A LEU 163.A N LEU 159.A O no hydrogen 2.917 N/A ALA 164.A N LYS 160.A O no hydrogen 2.879 N/A ASN 165.A N ASN 161.A O no hydrogen 2.943 N/A TRP 166.A N LEU 163.A O no hydrogen 3.384 N/A TRP 166.A NE1 ARG 186.A O no hydrogen 2.949 N/A SER 169.A N ASN 165.A O no hydrogen 2.923 N/A SER 169.A OG ASN 165.A O no hydrogen 2.816 N/A SER 169.A OG TRP 166.A O no hydrogen 2.672 N/A LYS 170.A N TRP 166.A O no hydrogen 2.877 N/A LYS 171.A N GLU 167.A O no hydrogen 2.924 N/A ASN 172.A N SER 169.A O no hydrogen 3.157 N/A SER 173.A N LYS 170.A O no hydrogen 2.875 N/A SER 173.A OG ASN 172.A O no hydrogen 2.447 N/A PHE 174.A N SER 169.A O no hydrogen 2.564 N/A LYS 175.A N ASN 172.A O no hydrogen 3.279 N/A GLY 181.A N GLY 178.A O no hydrogen 3.342 N/A ALA 188.A N LEU 290.A O no hydrogen 2.911 N/A MET 189.A N LEU 310.A O no hydrogen 2.880 N/A LEU 190.A N LEU 292.A O no hydrogen 2.630 N/A TYR 191.A N ILE 312.A O no hydrogen 2.940 N/A LYS 198.A NZ PRO 193.A O no hydrogen 3.095 N/A THR 199.A OG1 ASP 263.A OD1 no hydrogen 3.471 N/A THR 199.A OG1 ASP 263.A OD2 no hydrogen 2.797 N/A ALA 201.A N GLY 197.A O no hydrogen 2.781 N/A ALA 202.A N LYS 198.A O no hydrogen 2.911 N/A HIS 203.A N THR 199.A O no hydrogen 2.916 N/A LEU 204.A N THR 200.A O no hydrogen 2.883 N/A VAL 205.A N ALA 201.A O no hydrogen 2.929 N/A ALA 206.A N ALA 202.A O no hydrogen 2.913 N/A GLN 207.A N HIS 203.A O no hydrogen 2.914 N/A GLU 208.A N LEU 204.A O no hydrogen 2.927 N/A LEU 209.A N VAL 205.A O no hydrogen 3.278 N/A LEU 214.A N VAL 259.A O no hydrogen 2.916 N/A GLN 216.A N ILE 261.A O no hydrogen 3.004 N/A ALA 218.A N ASP 263.A O no hydrogen 2.736 N/A SER 219.A N ASN 217.A OD1 no hydrogen 2.587 N/A SER 219.A OG ASN 217.A OD1 no hydrogen 2.305 N/A VAL 221.A N ASN 217.A O no hydrogen 3.065 N/A ARG 222.A NE GLY 267.A O no hydrogen 3.090 N/A SER 223.A OG ARG 222.A O no hydrogen 2.649 N/A LYS 224.A NZ GLN 278.A OE1 no hydrogen 3.297 N/A LEU 227.A N SER 223.A O no hydrogen 2.775 N/A ASN 228.A N LYS 224.A O no hydrogen 2.911 N/A ASN 228.A ND2 LYS 224.A O no hydrogen 2.379 N/A ALA 229.A N THR 225.A O no hydrogen 2.902 N/A GLY 230.A N LEU 226.A O no hydrogen 2.918 N/A VAL 231.A N LEU 227.A O no hydrogen 2.918 N/A ALA 234.A N VAL 231.A O no hydrogen 2.729 N/A LEU 235.A N LYS 232.A O no hydrogen 3.213 N/A SER 239.A N LYS 256.A O no hydrogen 3.264 N/A SER 239.A OG ASP 212.A OD1 no hydrogen 2.621 N/A GLY 242.A N SER 239.A OG no hydrogen 3.146 N/A TYR 243.A N VAL 240.A O no hydrogen 3.171 N/A PHE 244.A N VAL 240.A O no hydrogen 2.901 N/A LYS 245.A N VAL 241.A O no hydrogen 2.882 N/A ASN 247.A N GLU 248.A OE1 no hydrogen 3.247 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.637 N/A GLU 249.A N HIS 246.A NE2 no hydrogen 3.121 N/A GLN 251.A N GLU 249.A O no hydrogen 2.924 N/A ASN 254.A N ASN 252.A OD1 no hydrogen 2.857 N/A HIS 257.A N ASN 254.A O no hydrogen 3.477 N/A VAL 259.A N ASP 212.A O no hydrogen 3.044 N/A ILE 260.A N PRO 289.A O no hydrogen 2.945 N/A ILE 261.A N LEU 214.A O no hydrogen 2.520 N/A MET 262.A N ILE 291.A O no hydrogen 2.931 N/A GLU 264.A N ASP 263.A OD1 no hydrogen 2.985 N/A VAL 265.A N ILE 293.A O no hydrogen 3.170 N/A GLY 267.A N GLU 264.A O no hydrogen 2.999 N/A MET 268.A N VAL 265.A O no hydrogen 3.481 N/A GLY 274.A N GLY 271.A O no hydrogen 3.216 N/A LEU 279.A N GLY 275.A O no hydrogen 2.892 N/A ALA 280.A N VAL 276.A O no hydrogen 2.900 N/A GLN 281.A N GLY 277.A O no hydrogen 2.925 N/A PHE 282.A N GLN 278.A O no hydrogen 2.878 N/A CYS 283.A N LEU 279.A O no hydrogen 2.915 N/A CYS 283.A SG LEU 279.A O no hydrogen 3.434 N/A ARG 284.A N GLN 281.A O no hydrogen 3.066 N/A ARG 284.A NE GLN 281.A OE1 no hydrogen 2.797 N/A ARG 284.A NH2 GLN 281.A OE1 no hydrogen 2.958 N/A THR 286.A OG1 THR 288.A O no hydrogen 3.170 N/A THR 288.A N THR 286.A OG1 no hydrogen 3.256 N/A ILE 291.A N ILE 260.A O no hydrogen 2.899 N/A LEU 292.A N ALA 188.A O no hydrogen 2.665 N/A ILE 293.A N MET 262.A O no hydrogen 2.874 N/A CYS 294.A N LEU 190.A O no hydrogen 2.859 N/A CYS 294.A SG LEU 190.A O no hydrogen 4.016 N/A ARG 297.A NH1 ARG 297.A O no hydrogen 3.400 N/A LYS 301.A NZ ASP 266.A O no hydrogen 3.346 N/A LYS 301.A NZ MET 268.A O no hydrogen 2.698 N/A MET 302.A N LEU 299.A O no hydrogen 2.963 N/A ARG 303.A N PRO 300.A O no hydrogen 3.380 N/A ASP 306.A N ARG 303.A O no hydrogen 2.962 N/A CYS 309.A SG LEU 310.A O no hydrogen 3.803 N/A LEU 310.A N ALA 187.A O no hydrogen 2.912 N/A ILE 312.A N MET 189.A O no hydrogen 2.856 N/A PHE 314.A N TYR 191.A O no hydrogen 2.913 N/A ARG 315.A N ASN 152.A OD1 no hydrogen 2.847 N/A ARG 316.A NE ARG 350.A O no hydrogen 2.727 N/A SER 321.A OG ASP 318.A O no hydrogen 2.700 N/A ILE 322.A N ASP 318.A O no hydrogen 3.421 N/A LYS 323.A N ALA 319.A O no hydrogen 2.893 N/A SER 324.A OG SER 321.A O no hydrogen 3.319 N/A ARG 325.A NH1 GLN 148.A O no hydrogen 2.817 N/A ARG 325.A NH2 TYR 141.A O no hydrogen 3.042 N/A LEU 326.A N ILE 322.A O no hydrogen 2.954 N/A MET 327.A N LYS 323.A O no hydrogen 2.885 N/A THR 328.A N SER 324.A O no hydrogen 2.903 N/A THR 328.A OG1 SER 324.A O no hydrogen 3.190 N/A THR 328.A OG1 ARG 325.A O no hydrogen 2.291 N/A ILE 329.A N ARG 325.A O no hydrogen 2.960 N/A ALA 330.A N LEU 326.A O no hydrogen 2.896 N/A ALA 330.A N MET 327.A O no hydrogen 3.199 N/A ILE 331.A N MET 327.A O no hydrogen 2.945 N/A ARG 332.A N THR 328.A O no hydrogen 3.088 N/A GLU 333.A N ILE 329.A O no hydrogen 3.270 N/A LYS 334.A N ILE 331.A O no hydrogen 3.440 N/A PHE 335.A N ALA 330.A O no hydrogen 3.258 N/A ASN 340.A ND2 ARG 35.A O no hydrogen 3.057 N/A VAL 341.A N ASP 338.A OD1 no hydrogen 3.283 N/A ILE 342.A N PRO 339.A O no hydrogen 2.919 N/A ARG 344.A NE ARG 344.A O no hydrogen 3.556 N/A LEU 345.A N VAL 341.A O no hydrogen 2.745 N/A ILE 346.A N ILE 342.A O no hydrogen 2.794 N/A GLN 347.A N ASP 343.A O no hydrogen 2.870 N/A THR 348.A N ARG 344.A O no hydrogen 3.371 N/A THR 348.A OG1 GLU 383.A OE2 no hydrogen 2.886 N/A THR 349.A N LEU 345.A O no hydrogen 3.336 N/A THR 349.A OG1 LEU 345.A O no hydrogen 3.266 N/A ARG 350.A N ILE 346.A O no hydrogen 3.172 N/A ILE 353.A N GLY 195.A O no hydrogen 2.769 N/A GLN 355.A N ASP 352.A OD1 no hydrogen 2.774 N/A VAL 356.A N ASP 352.A O no hydrogen 3.084 N/A ILE 357.A N ILE 353.A O no hydrogen 2.916 N/A ASN 358.A N ARG 354.A O no hydrogen 2.905 N/A LEU 359.A N GLN 355.A O no hydrogen 2.861 N/A LEU 360.A N VAL 356.A O no hydrogen 2.933 N/A SER 361.A N ILE 357.A O no hydrogen 2.897 N/A THR 362.A N ASN 358.A O no hydrogen 2.888 N/A THR 362.A OG1 ASN 358.A O no hydrogen 2.687 N/A ILE 363.A N LEU 359.A O no hydrogen 2.923 N/A SER 364.A N LEU 360.A O no hydrogen 3.178 N/A SER 364.A OG LEU 360.A O no hydrogen 2.430 N/A SER 364.A OG SER 361.A O no hydrogen 3.423 N/A THR 365.A OG1 THR 362.A O no hydrogen 3.388 N/A THR 366.A N ILE 363.A O no hydrogen 3.263 N/A THR 367.A N ILE 363.A O no hydrogen 3.245 N/A THR 367.A OG1 ILE 363.A O no hydrogen 3.352 N/A LYS 368.A NZ SER 364.A O no hydrogen 3.271 N/A ASN 371.A N ASN 374.A OD1 no hydrogen 3.245 N/A HIS 372.A N ASN 371.A OD1 no hydrogen 2.620 N/A ILE 378.A N ASN 374.A O no hydrogen 3.191 N/A SER 379.A N ILE 375.A O no hydrogen 2.914 N/A SER 379.A OG ILE 375.A O no hydrogen 3.107 N/A LYS 380.A N ASN 376.A O no hydrogen 2.893 N/A ALA 381.A N GLU 377.A O no hydrogen 3.243 N/A TRP 382.A N SER 379.A O no hydrogen 3.218 N/A ILE 393.A N LYS 389.A O no hydrogen 2.822 N/A ALA 394.A N PRO 390.A O no hydrogen 2.896 N/A HIS 395.A N PHE 391.A O no hydrogen 2.921 N/A LYS 396.A N ASP 392.A O no hydrogen 2.887 N/A MET 397.A N ILE 393.A O no hydrogen 2.894 N/A LEU 398.A N ALA 394.A O no hydrogen 3.119 N/A ASP 399.A N LYS 396.A O no hydrogen 3.268 N/A GLY 400.A N GLY 497.A O no hydrogen 2.984 N/A ILE 402.A N ASP 399.A O no hydrogen 3.327 N/A TYR 403.A OH MET 397.A O no hydrogen 2.506 N/A SER 404.A N GLN 401.A O no hydrogen 3.197 N/A SER 404.A OG GLN 401.A O no hydrogen 2.247 N/A SER 404.A OG GLN 401.A OE1 no hydrogen 2.754 N/A SER 408.A N SER 404.A O no hydrogen 2.540 N/A SER 408.A OG SER 404.A O no hydrogen 2.628 N/A ARG 409.A N ASP 405.A O no hydrogen 2.914 N/A ASN 410.A N ILE 406.A O no hydrogen 2.903 N/A ASN 410.A ND2 GLU 25.A OE1 no hydrogen 3.403 N/A PHE 411.A N GLY 407.A O no hydrogen 2.514 N/A THR 412.A OG1 ASP 415.A OD2 no hydrogen 2.232 N/A LYS 416.A N THR 412.A O no hydrogen 3.179 N/A LYS 416.A NZ PHE 411.A O no hydrogen 3.394 N/A ILE 417.A N LEU 413.A O no hydrogen 2.923 N/A ALA 418.A N ASN 414.A O no hydrogen 2.899 N/A LEU 419.A N ASP 415.A O no hydrogen 2.863 N/A TYR 420.A N LYS 416.A O no hydrogen 2.956 N/A TYR 420.A OH HIS 483.A ND1 no hydrogen 2.735 N/A PHE 421.A N ILE 417.A O no hydrogen 2.868 N/A ASP 422.A N LEU 419.A O no hydrogen 3.350 N/A ASP 425.A N ASP 423.A OD1 no hydrogen 3.076 N/A PHE 426.A N ASP 423.A OD1 no hydrogen 3.070 N/A THR 427.A N ASP 423.A O no hydrogen 3.358 N/A THR 427.A OG1 TYR 420.A O no hydrogen 3.501 N/A THR 427.A OG1 ASP 423.A O no hydrogen 2.263 N/A MET 430.A N PHE 426.A O no hydrogen 2.908 N/A ILE 431.A N THR 427.A O no hydrogen 2.927 N/A GLN 432.A N PRO 428.A O no hydrogen 2.899 N/A GLU 433.A N LEU 429.A O no hydrogen 2.906 N/A ASN 434.A N MET 430.A O no hydrogen 2.942 N/A ASN 434.A ND2 ASN 504.A O no hydrogen 2.907 N/A THR 438.A OG1 VAL 495.A O no hydrogen 2.844 N/A ARG 439.A N HIS 498.A O no hydrogen 2.893 N/A SER 441.A N ALA 496.A O no hydrogen 2.862 N/A GLN 447.A N LYS 444.A O no hydrogen 2.971 N/A SER 448.A N GLU 451.A OE1 no hydrogen 3.133 N/A LEU 450.A N SER 448.A OG no hydrogen 3.230 N/A ALA 452.A N SER 448.A O no hydrogen 3.273 N/A VAL 453.A N HIS 449.A O no hydrogen 2.902 N/A ALA 454.A N LEU 450.A O no hydrogen 2.890 N/A GLU 455.A N GLU 451.A O no hydrogen 2.957 N/A ALA 456.A N ALA 452.A O no hydrogen 2.889 N/A ALA 457.A N VAL 453.A O no hydrogen 2.859 N/A ASN 458.A N ALA 454.A O no hydrogen 2.925 N/A CYS 459.A N GLU 455.A O no hydrogen 2.956 N/A CYS 459.A SG LEU 486.A O no hydrogen 3.240 N/A ILE 460.A N ALA 456.A O no hydrogen 2.831 N/A SER 461.A N ALA 457.A O no hydrogen 2.883 N/A LEU 462.A N ASN 458.A O no hydrogen 3.014 N/A GLY 463.A N CYS 459.A O no hydrogen 2.862 N/A ASP 464.A N ILE 460.A O no hydrogen 2.863 N/A ILE 465.A N SER 461.A O no hydrogen 2.951 N/A VAL 466.A N LEU 462.A O no hydrogen 2.942 N/A GLU 467.A N GLY 463.A O no hydrogen 2.854 N/A LYS 468.A N ASP 464.A O no hydrogen 2.897 N/A LYS 469.A N ILE 465.A O no hydrogen 2.942 N/A ILE 470.A N VAL 466.A O no hydrogen 2.887 N/A ILE 470.A N GLU 467.A O no hydrogen 3.077 N/A ARG 471.A N GLU 467.A O no hydrogen 2.857 N/A GLN 475.A N SER 472.A O no hydrogen 3.393 N/A TRP 477.A N GLN 475.A O no hydrogen 2.769 N/A LEU 479.A N LEU 476.A O no hydrogen 3.214 N/A LEU 480.A N TRP 477.A O no hydrogen 2.925 N/A HIS 483.A N LEU 479.A O no hydrogen 3.093 N/A ALA 484.A N LEU 480.A O no hydrogen 2.924 N/A ALA 484.A N PRO 481.A O no hydrogen 2.922 N/A VAL 485.A N LEU 482.A O no hydrogen 2.930 N/A LEU 486.A N LEU 482.A O no hydrogen 3.004 N/A SER 487.A N HIS 483.A O no hydrogen 3.469 N/A SER 487.A OG HIS 483.A O no hydrogen 2.207 N/A VAL 489.A N ALA 484.A O no hydrogen 3.303 N/A TYR 490.A N VAL 485.A O no hydrogen 2.795 N/A ALA 492.A N SER 488.A O no hydrogen 3.064 N/A SER 493.A N VAL 489.A O no hydrogen 2.888 N/A LYS 494.A N TYR 490.A O no hydrogen 2.933 N/A VAL 495.A N PRO 491.A O no hydrogen 3.321 N/A VAL 495.A N ALA 492.A O no hydrogen 3.282 N/A HIS 498.A N ARG 439.A O no hydrogen 2.902 N/A GLN 511.A N ALA 507.A O no hydrogen 3.111 N/A ASN 512.A N TRP 508.A O no hydrogen 2.875 N/A SER 513.A N LEU 509.A O no hydrogen 2.924 N/A SER 513.A OG LEU 509.A O no hydrogen 2.995 N/A SER 513.A OG GLY 510.A O no hydrogen 2.621 N/A LYS 514.A N GLY 510.A O no hydrogen 2.917 N/A SER 515.A N GLN 511.A O no hydrogen 2.858 N/A SER 515.A OG GLN 511.A O no hydrogen 3.400 N/A SER 515.A OG ASN 512.A O no hydrogen 2.768 N/A ALA 516.A N ASN 512.A O no hydrogen 2.875 N/A LYS 517.A N SER 513.A O no hydrogen 2.938 N/A TYR 518.A N LYS 514.A O no hydrogen 2.924 N/A TYR 518.A OH GLU 586.A OE2 no hydrogen 2.664 N/A TYR 519.A N SER 515.A O no hydrogen 2.830 N/A ARG 520.A N ALA 516.A O no hydrogen 2.912 N/A LEU 521.A N LYS 517.A O no hydrogen 2.964 N/A LEU 522.A N TYR 518.A O no hydrogen 2.863 N/A GLN 523.A N TYR 519.A O no hydrogen 2.848 N/A GLU 524.A N ARG 520.A O no hydrogen 2.978 N/A ILE 525.A N LEU 521.A O no hydrogen 2.940 N/A HIS 526.A N LEU 522.A O no hydrogen 2.833 N/A TYR 527.A N GLN 523.A O no hydrogen 2.915 N/A HIS 528.A N GLU 524.A O no hydrogen 2.908 N/A THR 529.A N ILE 525.A O no hydrogen 2.941 N/A THR 529.A OG1 ILE 525.A O no hydrogen 2.757 N/A THR 529.A OG1 HIS 526.A O no hydrogen 3.417 N/A GLY 532.A N THR 529.A O no hydrogen 2.877 N/A THR 533.A N THR 529.A O no hydrogen 2.929 N/A SER 534.A OG THR 533.A O no hydrogen 2.680 N/A THR 535.A N THR 533.A OG1 no hydrogen 3.169 N/A THR 535.A OG1 THR 533.A O no hydrogen 3.223 N/A THR 535.A OG1 TYR 544.A OH no hydrogen 3.126 N/A GLY 539.A N ASP 536.A OD2 no hydrogen 3.252 N/A LEU 540.A N ASP 536.A O no hydrogen 2.905 N/A ARG 541.A N LYS 537.A O no hydrogen 2.928 N/A ARG 541.A NH1 ARG 541.A O no hydrogen 2.485 N/A LEU 542.A N ILE 538.A O no hydrogen 2.913 N/A ASP 543.A N GLY 539.A O no hydrogen 3.427 N/A TYR 544.A OH THR 535.A OG1 no hydrogen 3.126 N/A LEU 545.A N LEU 540.A O no hydrogen 3.260 N/A THR 547.A N TYR 544.A O no hydrogen 3.155 N/A PHE 548.A N TYR 544.A O no hydrogen 2.820 N/A ARG 549.A N LEU 545.A O no hydrogen 2.911 N/A ARG 551.A N THR 547.A O no hydrogen 2.886 N/A LEU 552.A N PHE 548.A O no hydrogen 2.927 N/A LEU 553.A N ARG 549.A O no hydrogen 2.760 N/A ASP 554.A N ARG 549.A O no hydrogen 3.370 N/A LEU 557.A N LEU 553.A O no hydrogen 3.375 N/A LYS 558.A N ASP 554.A O no hydrogen 2.937 N/A GLN 559.A N PRO 555.A O no hydrogen 2.882 N/A SER 566.A OG ALA 563.A O no hydrogen 2.776 N/A VAL 567.A N ALA 563.A O no hydrogen 3.250 N/A ILE 568.A N ILE 564.A O no hydrogen 2.896 N/A GLU 569.A N SER 565.A O no hydrogen 2.898 N/A VAL 570.A N SER 566.A O no hydrogen 2.910 N/A MET 571.A N VAL 567.A O no hydrogen 2.909 N/A ASP 572.A N ILE 568.A O no hydrogen 2.887 N/A ASP 573.A N GLU 569.A O no hydrogen 2.918 N/A TYR 575.A N ASP 572.A O no hydrogen 3.360 N/A LEU 576.A N MET 571.A O no hydrogen 2.526 N/A ASP 580.A N THR 577.A OG1 no hydrogen 2.885 N/A TRP 581.A N THR 577.A O no hydrogen 2.660 N/A ASP 582.A N LYS 578.A O no hydrogen 2.908 N/A SER 583.A N GLU 579.A O no hydrogen 2.901 N/A SER 583.A OG GLU 579.A O no hydrogen 3.301 N/A ILE 584.A N ASP 580.A O no hydrogen 2.893 N/A GLU 586.A N SER 583.A O no hydrogen 3.282 N/A PHE 587.A N ILE 584.A O no hydrogen 3.299 N/A ASP 592.A N VAL 589.A O no hydrogen 3.429 N/A THR 594.A OG1 MET 585.A O no hydrogen 3.525 N/A ILE 598.A N THR 594.A O no hydrogen 3.233 N/A LYS 600.A N ALA 596.A O no hydrogen 3.103 N/A ILE 601.A N ILE 597.A O no hydrogen 3.202 N/A ILE 601.A N ILE 598.A O no hydrogen 3.093 N/A LYS 606.A N PRO 602.A O no hydrogen 3.404 N/A SER 607.A N ALA 603.A O no hydrogen 2.904 N/A SER 607.A OG ALA 603.A O no hydrogen 3.325 N/A GLY 608.A N THR 604.A O no hydrogen 2.896 N/A PHE 609.A N VAL 605.A O no hydrogen 2.901 N/A THR 610.A N LYS 606.A O no hydrogen 2.904 N/A THR 610.A OG1 LYS 606.A O no hydrogen 2.719 N/A ARG 611.A N SER 607.A O no hydrogen 2.904 N/A LYS 612.A N GLY 608.A O no hydrogen 2.892 N/A TYR 613.A N PHE 609.A O no hydrogen 2.905 N/A ASN 614.A N THR 610.A O no hydrogen 2.904 N/A SER 615.A N ARG 611.A O no hydrogen 2.914 N/A SER 615.A OG ARG 611.A O no hydrogen 3.357 N/A THR 617.A OG1 MET 616.A O no hydrogen 2.642 N/A THR 617.A OG1 THR 617.A O no hydrogen 2.330 N/A