Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_CR.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 199.A O no hydrogen 2.571 N/A THR 5.A OG1 VAL 6.A O no hydrogen 3.477 N/A ARG 9.A N ASP 7.A OD2 no hydrogen 3.293 N/A ARG 9.A NE ASP 7.A OD1 no hydrogen 2.383 N/A ARG 9.A NE ASP 7.A OD2 no hydrogen 3.214 N/A ARG 9.A NH1 LYS 209.A O no hydrogen 2.430 N/A THR 12.A N SER 8.A O no hydrogen 3.023 N/A LEU 13.A N ARG 9.A O no hydrogen 3.032 N/A LEU 13.A N ILE 10.A O no hydrogen 3.174 N/A ILE 14.A N ILE 10.A O no hydrogen 2.985 N/A ARG 15.A N PRO 11.A O no hydrogen 2.827 N/A ASN 16.A N THR 12.A O no hydrogen 2.933 N/A ASN 16.A ND2 LYS 212.A O no hydrogen 3.027 N/A GLY 17.A N LEU 13.A O no hydrogen 2.913 N/A LEU 18.A N ILE 14.A O no hydrogen 3.015 N/A GLN 19.A N ARG 15.A O no hydrogen 2.990 N/A THR 20.A N ASN 16.A O no hydrogen 2.971 N/A THR 20.A OG1 ASN 16.A O no hydrogen 2.397 N/A LYS 21.A N LEU 18.A O no hydrogen 3.054 N/A LYS 21.A NZ GLY 144.A O no hydrogen 2.965 N/A LYS 22.A N GLY 17.A O no hydrogen 2.990 N/A ARG 23.A N ASP 380.A OD1 no hydrogen 2.666 N/A ARG 23.A NH1 VAL 142.A O no hydrogen 3.181 N/A SER 24.A N GLY 146.A O no hydrogen 2.942 N/A PHE 25.A N SER 192.A O no hydrogen 2.957 N/A PHE 26.A N VAL 148.A O no hydrogen 3.070 N/A VAL 27.A N LEU 194.A O no hydrogen 2.828 N/A VAL 28.A N LEU 150.A O no hydrogen 2.910 N/A VAL 29.A N ILE 196.A O no hydrogen 2.993 N/A ALA 33.A N GLU 35.A OE1 no hydrogen 3.242 N/A LYS 34.A N HIS 32.A O no hydrogen 2.831 N/A LYS 34.A NZ HIS 32.A O no hydrogen 3.460 N/A ILE 37.A N ALA 33.A O no hydrogen 3.101 N/A VAL 38.A N LYS 34.A O no hydrogen 3.240 N/A HIS 39.A N GLU 35.A O no hydrogen 3.004 N/A LEU 40.A N ALA 36.A O no hydrogen 3.055 N/A TYR 41.A N ILE 37.A O no hydrogen 3.171 N/A TYR 41.A OH LYS 53.A O no hydrogen 3.251 N/A TYR 42.A N VAL 38.A O no hydrogen 2.877 N/A ILE 43.A N HIS 39.A O no hydrogen 3.026 N/A MET 44.A N LEU 40.A O no hydrogen 2.991 N/A SER 45.A N TYR 41.A O no hydrogen 2.892 N/A SER 45.A OG TYR 41.A O no hydrogen 2.184 N/A SER 46.A N TYR 42.A O no hydrogen 2.737 N/A SER 46.A OG TYR 42.A O no hydrogen 2.907 N/A SER 46.A OG ILE 43.A O no hydrogen 2.647 N/A MET 47.A N ILE 43.A O no hydrogen 3.011 N/A LYS 53.A NZ ASP 48.A O no hydrogen 3.117 N/A LYS 53.A NZ VAL 49.A O no hydrogen 2.989 N/A LYS 53.A NZ GLN 51.A O no hydrogen 3.261 N/A VAL 55.A N ASP 102.A O no hydrogen 2.952 N/A LEU 56.A N MET 121.A O no hydrogen 3.239 N/A TRP 57.A N ARG 104.A O no hydrogen 2.761 N/A TYR 59.A N CYS 106.A O no hydrogen 3.250 N/A TYR 59.A OH TYR 107.A OH no hydrogen 3.016 N/A LYS 60.A NZ ALA 129.A O no hydrogen 2.808 N/A LYS 61.A NZ TYR 107.A OH no hydrogen 3.232 N/A GLY 65.A N LEU 63.A O no hydrogen 2.791 N/A THR 67.A OG1 HIS 69.A ND1 no hydrogen 3.011 N/A HIS 69.A N THR 67.A OG1 no hydrogen 3.233 N/A ARG 73.A N HIS 69.A O no hydrogen 3.065 N/A ARG 73.A NH1 GLU 95.A OE1 no hydrogen 3.226 N/A GLU 74.A N ARG 70.A O no hydrogen 2.828 N/A ALA 75.A N LYS 71.A O no hydrogen 3.027 N/A LYS 76.A N LYS 72.A O no hydrogen 3.030 N/A ILE 77.A N ARG 73.A O no hydrogen 3.029 N/A LYS 78.A N GLU 74.A O no hydrogen 3.010 N/A LYS 79.A N ALA 75.A O no hydrogen 3.099 N/A LYS 79.A NZ ALA 75.A O no hydrogen 2.855 N/A GLU 80.A N LYS 76.A O no hydrogen 3.057 N/A ILE 81.A N ILE 77.A O no hydrogen 2.988 N/A LYS 82.A N LYS 78.A O no hydrogen 2.864 N/A ARG 83.A N LYS 79.A O no hydrogen 3.027 N/A ILE 85.A N GLU 80.A O no hydrogen 2.916 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.263 N/A GLN 90.A N GLU 87.A O no hydrogen 3.149 N/A GLU 95.A N ASP 92.A OD1 no hydrogen 3.304 N/A LEU 96.A N ASP 92.A O no hydrogen 2.921 N/A PHE 97.A N PRO 93.A O no hydrogen 2.929 N/A ILE 98.A N PHE 94.A O no hydrogen 2.928 N/A SER 99.A N GLU 95.A O no hydrogen 2.932 N/A SER 99.A OG GLU 95.A O no hydrogen 2.499 N/A LEU 100.A N LEU 96.A O no hydrogen 2.849 N/A ASN 101.A N PHE 97.A O no hydrogen 2.977 N/A ARG 104.A N VAL 55.A O no hydrogen 2.894 N/A ARG 104.A NH2 TYR 105.A O no hydrogen 3.109 N/A CYS 106.A N TRP 57.A O no hydrogen 2.756 N/A CYS 106.A SG TYR 107.A O no hydrogen 3.159 N/A TYR 108.A OH ALA 58.A O no hydrogen 3.195 N/A THR 111.A OG1 TYR 107.A O no hydrogen 3.303 N/A LYS 113.A NZ GLU 110.A O no hydrogen 2.229 N/A ASN 117.A ND2 TYR 119.A OH no hydrogen 3.253 N/A GLY 120.A N SER 54.A O no hydrogen 2.715 N/A CYS 122.A SG LEU 56.A O no hydrogen 3.867 N/A CYS 122.A SG THR 138.A O no hydrogen 3.506 N/A CYS 122.A SG THR 141.A O no hydrogen 3.916 N/A ILE 123.A N LEU 56.A O no hydrogen 3.279 N/A LEU 124.A N VAL 149.A O no hydrogen 2.886 N/A GLN 125.A N ALA 58.A O no hydrogen 3.352 N/A GLN 125.A NE2 GLU 62.A O no hydrogen 3.118 N/A ASP 126.A N TYR 108.A OH no hydrogen 3.395 N/A THR 131.A OG1 GLN 447.A OE1 no hydrogen 3.003 N/A LEU 135.A N THR 131.A O no hydrogen 2.912 N/A ALA 136.A N PRO 132.A O no hydrogen 2.786 N/A ARG 137.A N ASN 133.A O no hydrogen 2.857 N/A THR 138.A N ILE 134.A O no hydrogen 2.936 N/A THR 138.A OG1 ILE 134.A O no hydrogen 3.139 N/A THR 138.A OG1 LEU 135.A O no hydrogen 2.783 N/A ILE 139.A N LEU 135.A O no hydrogen 2.939 N/A GLU 140.A N ALA 136.A O no hydrogen 2.862 N/A THR 141.A N ARG 137.A O no hydrogen 2.907 N/A THR 141.A OG1 ARG 137.A O no hydrogen 2.269 N/A GLY 144.A N ARG 375.A O no hydrogen 3.207 N/A GLY 146.A N LYS 22.A O no hydrogen 2.925 N/A VAL 148.A N SER 24.A O no hydrogen 3.072 N/A VAL 149.A N CYS 122.A O no hydrogen 2.957 N/A LEU 150.A N PHE 26.A O no hydrogen 3.000 N/A LEU 151.A N LEU 124.A O no hydrogen 3.002 N/A LEU 152.A N VAL 28.A O no hydrogen 3.015 N/A LYS 153.A NZ HIS 32.A O no hydrogen 2.709 N/A SER 157.A OG LYS 153.A O no hydrogen 3.482 N/A LEU 158.A N GLY 154.A O no hydrogen 3.053 N/A LYS 159.A N MET 155.A O no hydrogen 2.929 N/A GLN 160.A N THR 156.A O no hydrogen 2.812 N/A LEU 161.A N SER 157.A O no hydrogen 2.937 N/A TYR 162.A N LEU 158.A O no hydrogen 2.933 N/A THR 163.A N LYS 159.A O no hydrogen 3.094 N/A THR 163.A OG1 ALA 170.A O no hydrogen 3.435 N/A MET 164.A N GLN 160.A O no hydrogen 2.950 N/A THR 165.A N LEU 161.A O no hydrogen 2.907 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.727 N/A THR 165.A OG1 TYR 162.A O no hydrogen 2.839 N/A MET 166.A N TYR 162.A O no hydrogen 3.112 N/A ASP 167.A N THR 163.A O no hydrogen 2.927 N/A VAL 168.A N HIS 539.A NE2 no hydrogen 2.998 N/A HIS 169.A N HIS 539.A NE2 no hydrogen 3.092 N/A ARG 171.A NH2 PHE 417.A O no hydrogen 2.894 N/A ARG 173.A NH2 ASP 414.A OD2 no hydrogen 2.399 N/A ASN 180.A ND2 GLU 128.A O no hydrogen 3.519 N/A GLU 181.A N ALA 177.A O no hydrogen 3.039 N/A ARG 182.A N ARG 178.A O no hydrogen 2.971 N/A ARG 182.A NE SER 418.A O no hydrogen 3.325 N/A PHE 183.A N PHE 179.A O no hydrogen 2.783 N/A LEU 184.A N ASN 180.A O no hydrogen 2.992 N/A LEU 185.A N GLU 181.A O no hydrogen 3.020 N/A SER 186.A N ARG 182.A O no hydrogen 2.860 N/A SER 186.A OG ARG 182.A O no hydrogen 2.436 N/A LEU 187.A N PHE 183.A O no hydrogen 2.795 N/A GLY 188.A N LEU 184.A O no hydrogen 2.906 N/A SER 189.A N LEU 185.A O no hydrogen 2.988 N/A SER 189.A OG LEU 185.A O no hydrogen 2.276 N/A CYS 190.A N SER 186.A O no hydrogen 2.772 N/A CYS 190.A N LEU 187.A O no hydrogen 3.258 N/A CYS 193.A SG LEU 187.A O no hydrogen 3.533 N/A CYS 193.A SG SER 206.A OG no hydrogen 3.235 N/A LEU 194.A N PHE 25.A O no hydrogen 2.921 N/A ILE 196.A N VAL 27.A O no hydrogen 2.869 N/A ASP 197.A N ASN 201.A O no hydrogen 3.050 N/A ASP 198.A N VAL 29.A O no hydrogen 3.326 N/A ASN 201.A N ASP 197.A O no hydrogen 3.428 N/A ASN 201.A ND2 ASP 198.A O no hydrogen 2.441 N/A GLY 208.A N CYS 193.A O no hydrogen 3.207 N/A LYS 209.A N GLY 207.A O no hydrogen 2.900 N/A LYS 209.A NZ LEU 203.A O no hydrogen 3.163 N/A LYS 209.A NZ SER 206.A O no hydrogen 2.441 N/A LEU 214.A N ASN 16.A OD1 no hydrogen 3.422 N/A ILE 222.A N ILE 218.A O no hydrogen 3.047 N/A LYS 223.A N GLY 219.A O no hydrogen 3.021 N/A THR 226.A OG1 ASP 228.A OD2 no hydrogen 2.378 N/A GLN 229.A N THR 226.A OG1 no hydrogen 3.264 N/A GLN 229.A N ASP 228.A OD2 no hydrogen 2.707 N/A ALA 230.A N THR 226.A O no hydrogen 2.949 N/A LYS 231.A N VAL 227.A O no hydrogen 2.973 N/A ALA 232.A N ASP 228.A O no hydrogen 2.864 N/A LEU 233.A N GLN 229.A O no hydrogen 2.985 N/A LEU 234.A N ALA 230.A O no hydrogen 2.948 N/A THR 235.A N LYS 231.A O no hydrogen 3.016 N/A PHE 236.A N ALA 232.A O no hydrogen 2.830 N/A VAL 237.A N LEU 233.A O no hydrogen 2.987 N/A ASP 238.A N LEU 234.A O no hydrogen 2.921 N/A ALA 239.A N THR 235.A O no hydrogen 2.898 N/A ILE 240.A N PHE 236.A O no hydrogen 3.018 N/A ALA 241.A N VAL 237.A O no hydrogen 2.914 N/A GLU 242.A N ASP 238.A O no hydrogen 2.897 N/A ARG 246.A NE ARG 246.A O no hydrogen 2.460 N/A ARG 246.A NH1 GLU 364.A O no hydrogen 2.662 N/A ARG 246.A NH2 ARG 363.A O no hydrogen 2.267 N/A ARG 246.A NH2 GLU 364.A O no hydrogen 3.541 N/A ASN 247.A N TYR 336.A O no hydrogen 3.009 N/A ASN 247.A ND2 ALA 239.A O no hydrogen 3.357 N/A ASN 247.A ND2 GLU 242.A OE1 no hydrogen 2.851 N/A VAL 249.A N VAL 338.A O no hydrogen 2.991 N/A THR 250.A OG1 SER 342.A OG no hydrogen 3.425 N/A LEU 251.A N MET 340.A O no hydrogen 2.917 N/A THR 252.A N ILE 368.A O no hydrogen 3.044 N/A ALA 253.A N SER 342.A O no hydrogen 3.068 N/A ARG 255.A NE TYR 347.A OH no hydrogen 2.683 N/A ARG 257.A NH1 TYR 376.A OH no hydrogen 3.256 N/A LYS 259.A NZ LEU 251.A O no hydrogen 3.067 N/A ALA 262.A N GLY 258.A O no hydrogen 2.879 N/A MET 263.A N LYS 259.A O no hydrogen 3.022 N/A GLY 264.A N SER 260.A O no hydrogen 2.874 N/A VAL 265.A N ALA 261.A O no hydrogen 3.180 N/A ALA 266.A N ALA 262.A O no hydrogen 2.971 N/A ILE 267.A N MET 263.A O no hydrogen 2.913 N/A ALA 268.A N GLY 264.A O no hydrogen 3.004 N/A ALA 269.A N VAL 265.A O no hydrogen 3.019 N/A ALA 270.A N ALA 266.A O no hydrogen 2.877 N/A VAL 271.A N ILE 267.A O no hydrogen 2.905 N/A ALA 272.A N ALA 268.A O no hydrogen 3.044 N/A TYR 273.A N ALA 269.A O no hydrogen 2.908 N/A GLY 274.A N ALA 270.A O no hydrogen 2.753 N/A PHE 279.A N LEU 315.A O no hydrogen 3.052 N/A THR 281.A N VAL 317.A O no hydrogen 3.028 N/A SER 282.A OG SER 284.A O no hydrogen 3.259 N/A SER 282.A OG TYR 301.A OH no hydrogen 3.043 N/A GLU 286.A N SER 284.A O no hydrogen 2.656 N/A ASN 287.A ND2 ASN 287.A O no hydrogen 2.477 N/A LEU 288.A N GLU 286.A O no hydrogen 2.980 N/A PHE 292.A N LEU 288.A O no hydrogen 2.895 N/A GLU 293.A N LYS 289.A O no hydrogen 2.802 N/A PHE 294.A N THR 290.A O no hydrogen 3.110 N/A ARG 296.A N PHE 292.A O no hydrogen 2.869 N/A ARG 296.A NE GLU 293.A O no hydrogen 2.680 N/A ARG 296.A NH2 GLU 293.A O no hydrogen 3.110 N/A TYR 301.A OH SER 282.A O no hydrogen 2.742 N/A TYR 301.A OH SER 282.A OG no hydrogen 3.043 N/A GLN 305.A N GLN 305.A OE1 no hydrogen 2.804 N/A GLY 311.A N ALA 307.A O no hydrogen 2.907 N/A GLN 312.A N VAL 309.A O no hydrogen 3.244 N/A ALA 313.A N VAL 309.A O no hydrogen 3.068 N/A VAL 316.A N LEU 337.A O no hydrogen 3.136 N/A VAL 317.A N PHE 279.A O no hydrogen 2.827 N/A ILE 318.A N PHE 339.A O no hydrogen 2.944 N/A ASP 319.A N THR 281.A O no hydrogen 3.041 N/A ALA 322.A N GLU 320.A OE1 no hydrogen 3.038 N/A VAL 329.A N PRO 325.A O no hydrogen 2.922 N/A LYS 330.A N LEU 326.A O no hydrogen 2.810 N/A LYS 330.A NZ GLN 361.A OE1 no hydrogen 2.519 N/A LYS 331.A N PRO 327.A O no hydrogen 3.059 N/A LYS 331.A NZ PRO 304.A O no hydrogen 2.570 N/A LEU 332.A N LEU 328.A O no hydrogen 3.097 N/A TYR 336.A N GLY 334.A O no hydrogen 2.850 N/A LEU 337.A N GLU 314.A O no hydrogen 2.781 N/A VAL 338.A N ASN 247.A O no hydrogen 2.840 N/A PHE 339.A N VAL 316.A O no hydrogen 2.943 N/A MET 340.A N VAL 249.A O no hydrogen 2.754 N/A ALA 341.A N ILE 318.A O no hydrogen 2.915 N/A SER 342.A OG THR 250.A OG1 no hydrogen 3.425 N/A SER 342.A OG LEU 251.A O no hydrogen 2.464 N/A ILE 344.A N ALA 253.A O no hydrogen 2.857 N/A SER 345.A OG LEU 392.A O no hydrogen 3.225 N/A THR 350.A OG1 ALA 322.A O no hydrogen 3.102 N/A THR 350.A OG1 TYR 439.A O no hydrogen 3.341 N/A SER 355.A N GLY 351.A O no hydrogen 2.777 N/A SER 355.A OG GLY 351.A O no hydrogen 2.555 N/A LYS 357.A N SER 353.A O no hydrogen 2.893 N/A LEU 358.A N LEU 354.A O no hydrogen 2.994 N/A ILE 359.A N SER 355.A O no hydrogen 2.927 N/A LYS 360.A N LEU 356.A O no hydrogen 3.003 N/A LYS 360.A NZ LEU 356.A O no hydrogen 2.816 N/A GLN 361.A N LYS 357.A O no hydrogen 3.050 N/A LEU 362.A N LEU 358.A O no hydrogen 2.848 N/A LYS 366.A NZ THR 235.A O no hydrogen 3.482 N/A LYS 366.A NZ THR 235.A OG1 no hydrogen 2.500 N/A ILE 368.A N THR 250.A O no hydrogen 3.064 N/A LEU 370.A N THR 252.A O no hydrogen 2.883 N/A SER 371.A N ASP 228.A OD1 no hydrogen 3.426 N/A SER 371.A OG SER 371.A O no hydrogen 2.416 N/A ARG 375.A NH1 ASN 117.A O no hydrogen 3.060 N/A ALA 377.A N LYS 21.A O no hydrogen 3.139 N/A GLN 378.A NE2 SER 371.A O no hydrogen 2.781 N/A LYS 384.A N ASP 380.A O no hydrogen 2.730 N/A TRP 385.A N ASN 381.A O no hydrogen 3.027 N/A LEU 386.A N VAL 382.A O no hydrogen 2.800 N/A ASN 387.A N GLU 383.A O no hydrogen 2.856 N/A THR 388.A N LYS 384.A O no hydrogen 3.142 N/A LEU 389.A N TRP 385.A O no hydrogen 2.782 N/A LEU 390.A N LEU 386.A O no hydrogen 2.828 N/A CYS 391.A SG THR 388.A O no hydrogen 3.237 N/A CYS 391.A SG LEU 389.A O no hydrogen 3.976 N/A LEU 392.A N ASN 387.A O no hydrogen 3.319 N/A CYS 400.A SG PRO 401.A O no hydrogen 3.801 N/A CYS 400.A SG TYR 524.A OH no hydrogen 3.040 N/A SER 404.A OG ASP 402.A OD2 no hydrogen 2.133 N/A CYS 406.A SG PRO 403.A O no hydrogen 3.904 N/A GLU 407.A N GLU 407.A OE1 no hydrogen 2.943 N/A HIS 410.A NE2 GLU 456.A OE2 no hydrogen 3.038 N/A ASN 412.A N LEU 544.A O no hydrogen 3.208 N/A ARG 413.A NH1 ALA 452.A O no hydrogen 2.989 N/A ARG 413.A NH2 ASP 451.A O no hydrogen 3.262 N/A ARG 413.A NH2 ALA 452.A O no hydrogen 2.743 N/A THR 415.A OG1 SER 418.A OG no hydrogen 3.347 N/A THR 415.A OG1 PRO 542.A O no hydrogen 3.299 N/A LEU 416.A N ASN 412.A O no hydrogen 2.938 N/A PHE 417.A N ARG 413.A O no hydrogen 2.847 N/A SER 418.A OG THR 415.A O no hydrogen 2.297 N/A SER 418.A OG THR 415.A OG1 no hydrogen 3.347 N/A SER 423.A OG LEU 416.A O no hydrogen 3.146 N/A SER 423.A OG SER 418.A O no hydrogen 2.787 N/A GLU 424.A N HIS 420.A O no hydrogen 2.781 N/A LYS 425.A N PRO 421.A O no hydrogen 2.899 N/A PHE 426.A N VAL 422.A O no hydrogen 2.728 N/A LEU 427.A N SER 423.A O no hydrogen 2.945 N/A GLN 428.A N GLU 424.A O no hydrogen 2.948 N/A GLN 428.A NE2 ASP 393.A O no hydrogen 2.967 N/A GLN 429.A N LYS 425.A O no hydrogen 3.173 N/A MET 430.A N PHE 426.A O no hydrogen 2.945 N/A VAL 431.A N LEU 427.A O no hydrogen 2.938 N/A ALA 432.A N GLN 428.A O no hydrogen 2.923 N/A LEU 433.A N GLN 429.A O no hydrogen 3.024 N/A TYR 434.A N MET 430.A O no hydrogen 2.974 N/A VAL 435.A N VAL 431.A O no hydrogen 2.960 N/A ALA 436.A N ALA 432.A O no hydrogen 2.979 N/A SER 437.A N LEU 433.A O no hydrogen 2.929 N/A SER 437.A N TYR 434.A O no hydrogen 3.225 N/A SER 437.A OG LEU 433.A O no hydrogen 3.247 N/A SER 437.A OG TYR 434.A O no hydrogen 2.374 N/A HIS 438.A N TYR 434.A O no hydrogen 3.106 N/A TYR 439.A N HIS 438.A ND1 no hydrogen 2.876 N/A LYS 440.A NZ GLU 348.A O no hydrogen 3.214 N/A ASN 441.A ND2 ASP 445.A OD1 no hydrogen 3.143 N/A ASP 445.A N SER 442.A O no hydrogen 2.903 N/A LEU 446.A N ASP 445.A OD2 no hydrogen 2.796 N/A LEU 448.A N ASN 444.A O no hydrogen 2.967 N/A MET 449.A N ASP 445.A O no hydrogen 2.950 N/A SER 450.A N LEU 446.A O no hydrogen 3.102 N/A SER 450.A N GLN 447.A O no hydrogen 3.045 N/A ASP 451.A N GLN 447.A O no hydrogen 2.789 N/A ALA 452.A N LEU 448.A O no hydrogen 3.071 N/A HIS 455.A ND1 VAL 478.A O no hydrogen 3.258 N/A GLU 456.A N VAL 478.A O no hydrogen 2.855 N/A PHE 458.A N ILE 476.A O no hydrogen 2.970 N/A VAL 459.A N LEU 409.A O no hydrogen 2.962 N/A LEU 460.A N CYS 474.A O no hydrogen 2.756 N/A THR 461.A N GLU 407.A O no hydrogen 3.048 N/A THR 461.A OG1 GLU 407.A OE1 no hydrogen 3.566 N/A GLY 462.A N GLU 471.A OE1 no hydrogen 3.136 N/A LEU 473.A N LEU 460.A O no hydrogen 2.791 N/A CYS 474.A N LEU 460.A O no hydrogen 3.203 N/A CYS 474.A SG ALA 514.A O no hydrogen 3.470 N/A CYS 474.A SG THR 515.A OG1 no hydrogen 3.129 N/A VAL 475.A N ALA 514.A O no hydrogen 3.010 N/A ILE 476.A N PHE 458.A O no hydrogen 2.911 N/A GLN 477.A N ARG 512.A O no hydrogen 2.865 N/A VAL 478.A N GLU 456.A O no hydrogen 2.971 N/A SER 479.A N ARG 509.A O no hydrogen 2.851 N/A LEU 480.A N ALA 454.A O no hydrogen 2.843 N/A GLU 481.A N GLY 507.A O no hydrogen 2.912 N/A SER 485.A OG LEU 480.A O no hydrogen 2.951 N/A LEU 488.A N GLU 481.A OE1 no hydrogen 3.143 N/A ILE 489.A N GLU 481.A OE2 no hydrogen 2.642 N/A TRP 491.A N ASP 487.A O no hydrogen 2.834 N/A LEU 492.A N LEU 488.A O no hydrogen 2.943 N/A VAL 493.A N ILE 489.A O no hydrogen 3.087 N/A SER 494.A N PRO 490.A O no hydrogen 2.850 N/A SER 494.A OG PRO 490.A O no hydrogen 2.611 N/A SER 494.A OG TRP 491.A O no hydrogen 3.104 N/A GLN 495.A N TRP 491.A O no hydrogen 2.952 N/A GLN 495.A N LEU 492.A O no hydrogen 3.296 N/A GLN 496.A N LEU 492.A O no hydrogen 3.029 N/A PHE 497.A N VAL 493.A O no hydrogen 2.732 N/A GLN 498.A N GLN 498.A OE1 no hydrogen 2.791 N/A PHE 502.A N ASP 499.A OD2 no hydrogen 2.450 N/A ALA 503.A N ASP 499.A O no hydrogen 3.199 N/A SER 504.A N ASP 500.A O no hydrogen 2.850 N/A SER 504.A OG ASP 500.A O no hydrogen 3.359 N/A LEU 505.A N GLU 501.A O no hydrogen 2.982 N/A GLY 507.A N GLU 481.A O no hydrogen 2.927 N/A ALA 508.A N TYR 558.A O no hydrogen 2.911 N/A ARG 509.A N SER 479.A O no hydrogen 2.807 N/A ILE 510.A N GLY 560.A O no hydrogen 2.598 N/A VAL 511.A N GLN 477.A O no hydrogen 2.965 N/A ARG 512.A N GLN 477.A O no hydrogen 3.169 N/A ASP 518.A N ASP 518.A OD2 no hydrogen 2.557 N/A TYR 519.A N ASN 516.A O no hydrogen 3.130 N/A TYR 524.A OH PRO 401.A O no hydrogen 3.205 N/A SER 526.A OG GLY 523.A O no hydrogen 3.470 N/A LYS 527.A N GLY 523.A O no hydrogen 2.923 N/A LYS 527.A NZ PRO 403.A O no hydrogen 3.296 N/A ALA 528.A N TYR 524.A O no hydrogen 2.902 N/A LEU 529.A N GLY 525.A O no hydrogen 2.904 N/A GLN 530.A N SER 526.A O no hydrogen 2.971 N/A LEU 531.A N LYS 527.A O no hydrogen 3.035 N/A LEU 532.A N ALA 528.A O no hydrogen 2.761 N/A VAL 533.A N LEU 529.A O no hydrogen 3.058 N/A ASP 534.A N GLN 530.A O no hydrogen 2.983 N/A TYR 535.A N LEU 531.A O no hydrogen 3.058 N/A TYR 535.A OH ARG 551.A O no hydrogen 2.322 N/A TYR 536.A N LEU 532.A O no hydrogen 2.855 N/A GLU 537.A N VAL 533.A O no hydrogen 2.773 N/A SER 546.A N HIS 410.A O no hydrogen 2.560 N/A SER 546.A OG HIS 410.A ND1 no hydrogen 3.398 N/A ARG 551.A N SER 549.A O no hydrogen 2.820 N/A VAL 559.A N ARG 600.A O no hydrogen 2.968 N/A GLY 560.A N ALA 508.A O no hydrogen 2.787 N/A VAL 561.A N MET 598.A O no hydrogen 2.867 N/A SER 562.A N ILE 510.A O no hydrogen 3.096 N/A TYR 563.A N CYS 596.A O no hydrogen 3.095 N/A LEU 565.A N HIS 594.A O no hydrogen 2.687 N/A HIS 570.A N THR 566.A O no hydrogen 2.922 N/A LYS 571.A N GLN 567.A O no hydrogen 3.053 N/A LYS 571.A NZ GLN 567.A O no hydrogen 3.491 N/A PHE 572.A N GLN 568.A O no hydrogen 2.738 N/A TRP 573.A N LEU 569.A O no hydrogen 3.034 N/A LYS 574.A N HIS 570.A O no hydrogen 2.988 N/A ARG 575.A N LYS 571.A O no hydrogen 2.756 N/A ARG 575.A NE SER 526.A OG no hydrogen 3.321 N/A ALA 576.A N PHE 572.A O no hydrogen 2.846 N/A PHE 578.A N TRP 573.A O no hydrogen 3.269 N/A VAL 579.A N ILE 599.A O no hydrogen 2.989 N/A VAL 581.A N VAL 597.A O no hydrogen 3.053 N/A ASN 588.A N GLU 593.A O no hydrogen 2.552 N/A THR 591.A N ASN 588.A OD1 no hydrogen 2.910 N/A THR 591.A OG1 ASN 588.A OD1 no hydrogen 2.451 N/A GLY 592.A N ASN 588.A O no hydrogen 3.073 N/A GLU 593.A N ASN 588.A OD1 no hydrogen 3.220 N/A CYS 596.A N TYR 563.A O no hydrogen 2.772 N/A CYS 596.A SG TYR 582.A O no hydrogen 3.340 N/A MET 598.A N VAL 561.A O no hydrogen 3.040 N/A ILE 599.A N VAL 579.A O no hydrogen 2.891 N/A ARG 600.A N VAL 559.A O no hydrogen 2.807 N/A GLN 603.A NE2 GLU 537.A OE1 no hydrogen 3.323 N/A GLN 603.A NE2 LEU 556.A O no hydrogen 2.487 N/A ASN 606.A ND2 ASP 557.A OD1 no hydrogen 3.541 N/A SER 609.A OG ASP 652.A OD1 no hydrogen 2.808 N/A ALA 613.A N SER 609.A O no hydrogen 3.040 N/A PHE 614.A N TRP 610.A O no hydrogen 2.799 N/A ALA 615.A N LEU 611.A O no hydrogen 2.860 N/A ALA 616.A N GLY 612.A O no hydrogen 2.968 N/A ASP 617.A N ALA 613.A O no hydrogen 2.969 N/A PHE 618.A N PHE 614.A O no hydrogen 2.826 N/A HIS 619.A N ALA 615.A O no hydrogen 2.694 N/A HIS 619.A NE2 PHE 702.A O no hydrogen 2.629 N/A LYS 620.A N ALA 616.A O no hydrogen 3.166 N/A LYS 620.A NZ ASP 617.A O no hydrogen 3.209 N/A LYS 620.A NZ ASP 617.A OD1 no hydrogen 2.316 N/A ARG 621.A N ASP 617.A O no hydrogen 2.995 N/A PHE 622.A N PHE 618.A O no hydrogen 2.869 N/A LEU 623.A N HIS 619.A O no hydrogen 3.073 N/A SER 624.A N LYS 620.A O no hydrogen 2.969 N/A SER 624.A OG ARG 621.A O no hydrogen 3.540 N/A LEU 625.A N PHE 622.A O no hydrogen 3.013 N/A SER 627.A OG LEU 626.A O no hydrogen 2.980 N/A SER 635.A OG GLN 726.A OE1 no hydrogen 2.538 N/A ALA 638.A N PRO 634.A O no hydrogen 2.945 N/A LEU 639.A N SER 635.A O no hydrogen 2.845 N/A THR 640.A N ILE 636.A O no hydrogen 2.961 N/A THR 640.A OG1 GLU 643.A OE2 no hydrogen 3.284 N/A ILE 641.A N LEU 637.A O no hydrogen 2.866 N/A GLU 642.A N ALA 638.A O no hydrogen 3.120 N/A GLU 643.A N LEU 639.A O no hydrogen 2.940 N/A SER 644.A N THR 640.A O no hydrogen 2.981 N/A ALA 645.A N ILE 641.A O no hydrogen 2.896 N/A ASN 646.A N GLU 642.A O no hydrogen 2.794 N/A ALA 647.A N GLU 643.A O no hydrogen 2.862 N/A GLY 648.A N SER 644.A O no hydrogen 3.001 N/A ALA 649.A N ASN 646.A O no hydrogen 3.133 N/A MET 650.A N ASN 646.A O no hydrogen 2.876 N/A ASN 655.A ND2 GLY 612.A O no hydrogen 2.722 N/A LEU 665.A N THR 661.A O no hydrogen 2.853 N/A ASP 666.A N LYS 662.A O no hydrogen 3.005 N/A GLN 667.A N ALA 663.A O no hydrogen 2.927 N/A LEU 668.A N GLU 664.A O no hydrogen 2.932 N/A LEU 668.A N LEU 665.A O no hydrogen 3.159 N/A PHE 669.A N LEU 665.A O no hydrogen 2.916 N/A PHE 672.A N THR 670.A OG1 no hydrogen 3.338 N/A ASP 673.A N THR 670.A O no hydrogen 2.867 N/A HIS 674.A N THR 670.A O no hydrogen 3.420 N/A LYS 675.A N PRO 671.A O no hydrogen 2.890 N/A ARG 676.A N PHE 672.A O no hydrogen 2.896 N/A ARG 676.A NH1 VAL 689.A O no hydrogen 3.549 N/A LEU 677.A N ASP 673.A O no hydrogen 2.839 N/A GLU 678.A N HIS 674.A O no hydrogen 2.905 N/A SER 679.A N LYS 675.A O no hydrogen 2.922 N/A SER 679.A OG LYS 675.A O no hydrogen 2.673 N/A SER 679.A OG ARG 676.A O no hydrogen 3.074 N/A TYR 680.A N ARG 676.A O no hydrogen 2.820 N/A ALA 681.A N LEU 677.A O no hydrogen 3.004 N/A ASN 682.A N GLU 678.A O no hydrogen 3.050 N/A GLY 683.A N SER 679.A O no hydrogen 2.849 N/A LEU 684.A N SER 679.A O no hydrogen 3.021 N/A HIS 688.A N ASP 686.A OD2 no hydrogen 2.732 N/A VAL 690.A N ASP 686.A O no hydrogen 3.079 N/A LEU 691.A N TYR 687.A O no hydrogen 2.755 N/A ASP 692.A N HIS 688.A O no hydrogen 3.047 N/A LEU 693.A N VAL 690.A O no hydrogen 2.891 N/A ALA 698.A N MET 694.A O no hydrogen 3.111 N/A GLN 699.A N PRO 695.A O no hydrogen 2.798 N/A LEU 700.A N THR 696.A O no hydrogen 2.829 N/A TYR 701.A N ILE 697.A O no hydrogen 2.787 N/A PHE 702.A N ALA 698.A O no hydrogen 2.989 N/A THR 703.A N GLN 699.A O no hydrogen 2.997 N/A LEU 706.A N LEU 700.A O no hydrogen 3.129 N/A GLU 708.A N GLY 704.A O no hydrogen 3.228 N/A ALA 709.A N ARG 705.A O no hydrogen 3.017 N/A VAL 710.A N LEU 706.A O no hydrogen 2.822 N/A SER 713.A OG GLN 717.A OE1 no hydrogen 2.464 N/A GLN 717.A N SER 713.A O no hydrogen 2.653 N/A ILE 719.A N LEU 715.A O no hydrogen 3.073 N/A LEU 720.A N GLN 716.A O no hydrogen 2.720 N/A LEU 721.A N GLN 717.A O no hydrogen 2.921 N/A ALA 722.A N ALA 718.A O no hydrogen 2.914 N/A LEU 723.A N ILE 719.A O no hydrogen 2.874 N/A GLY 724.A N LEU 720.A O no hydrogen 2.895 N/A LEU 725.A N LEU 721.A O no hydrogen 2.850 N/A GLN 726.A N LEU 721.A O no hydrogen 2.498 N/A GLN 726.A NE2 PHE 633.A O no hydrogen 2.518 N/A ARG 727.A NE GLY 724.A O no hydrogen 2.686 N/A LYS 728.A NZ GLU 736.A OE1 no hydrogen 2.263 N/A ASP 731.A N ASP 729.A OD1 no hydrogen 3.271 N/A LEU 733.A N ASP 729.A O no hydrogen 3.031 N/A ALA 734.A N ILE 730.A O no hydrogen 2.817 N/A THR 735.A N ASP 731.A O no hydrogen 2.962 N/A THR 735.A OG1 ASP 731.A O no hydrogen 3.208 N/A THR 735.A OG1 THR 732.A O no hydrogen 2.950 N/A GLU 736.A N THR 732.A O no hydrogen 2.910 N/A LEU 737.A N LEU 733.A O no hydrogen 2.911 N/A ASN 738.A N THR 735.A O no hydrogen 3.274 N/A LEU 739.A N ALA 734.A O no hydrogen 2.799 N/A SER 742.A OG SER 742.A O no hydrogen 2.378 N/A ALA 746.A N SER 742.A O no hydrogen 2.999 N/A ILE 747.A N GLN 743.A O no hydrogen 2.842 N/A PHE 748.A N VAL 744.A O no hydrogen 2.832 N/A MET 749.A N LEU 745.A O no hydrogen 2.944 N/A LYS 750.A N ALA 746.A O no hydrogen 3.029 N/A ILE 751.A N ILE 747.A O no hydrogen 2.986 N/A MET 752.A N PHE 748.A O no hydrogen 2.824 N/A ARG 753.A N MET 749.A O no hydrogen 2.808 N/A ARG 753.A NH2 ALA 681.A O no hydrogen 3.178 N/A LYS 754.A N LYS 750.A O no hydrogen 3.124 N/A VAL 755.A N ILE 751.A O no hydrogen 3.054 N/A THR 756.A N MET 752.A O no hydrogen 2.914 N/A THR 756.A OG1 MET 752.A O no hydrogen 2.565 N/A THR 756.A OG1 ARG 753.A O no hydrogen 2.551 N/A GLN 757.A N ARG 753.A O no hydrogen 3.069 N/A HIS 758.A N LYS 754.A O no hydrogen 3.062 N/A PHE 759.A N VAL 755.A O no hydrogen 2.926 N/A