Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gym_C1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N ASN 5.A OD1 no hydrogen 2.902 N/A ASP 11.A N PHE 7.A O no hydrogen 2.985 N/A ARG 12.A N TYR 8.A O no hydrogen 2.936 N/A ILE 13.A N TYR 9.A O no hydrogen 2.897 N/A LYS 14.A N LEU 10.A O no hydrogen 2.865 N/A LYS 15.A N ASP 11.A O no hydrogen 2.951 N/A LEU 16.A N ARG 12.A O no hydrogen 2.913 N/A PHE 17.A N ILE 13.A O no hydrogen 2.903 N/A THR 18.A N LYS 14.A O no hydrogen 2.943 N/A THR 18.A OG1 LYS 14.A O no hydrogen 3.044 N/A TYR 19.A N LYS 15.A O no hydrogen 2.880 N/A LEU 20.A N LEU 16.A O no hydrogen 2.900 N/A ASN 21.A N PHE 17.A O no hydrogen 2.959 N/A ASP 22.A N THR 18.A O no hydrogen 2.924 N/A LEU 23.A N TYR 19.A O no hydrogen 2.865 N/A ARG 24.A N LEU 20.A O no hydrogen 2.897 N/A ARG 24.A NE ASN 21.A OD1 no hydrogen 3.057 N/A ARG 24.A NH2 ASN 21.A OD1 no hydrogen 2.591 N/A LYS 25.A N ASN 21.A O no hydrogen 2.984 N/A HIS 26.A N ASP 22.A O no hydrogen 2.875 N/A ILE 27.A N LEU 23.A O no hydrogen 2.866 N/A LEU 28.A N ARG 24.A O no hydrogen 2.945 N/A LYS 29.A N LYS 25.A O no hydrogen 2.921 N/A LYS 30.A N HIS 26.A O no hydrogen 2.894 N/A LYS 30.A N ILE 27.A O no hydrogen 3.319 N/A TYR 31.A N ILE 27.A O no hydrogen 2.907 N/A VAL 32.A N LEU 28.A O no hydrogen 3.278 N/A TYR 33.A N LEU 28.A O no hydrogen 2.838 N/A ASN 36.A N THR 34.A OG1 no hydrogen 2.929 N/A HIS 37.A ND1 ASN 107.A O no hydrogen 2.859 N/A LYS 38.A NZ TYR 112.A OH no hydrogen 2.600 N/A ARG 39.A N ASN 36.A OD1 no hydrogen 3.171 N/A ARG 39.A NH1 LYS 30.A O no hydrogen 3.544 N/A ILE 40.A N ASN 36.A O no hydrogen 2.941 N/A ALA 41.A N HIS 37.A O no hydrogen 2.855 N/A ILE 42.A N LYS 38.A O no hydrogen 2.930 N/A ASN 43.A N ARG 39.A O no hydrogen 2.929 N/A ASN 43.A ND2 TYR 31.A O no hydrogen 2.884 N/A TYR 44.A N ILE 40.A O no hydrogen 2.856 N/A LEU 45.A N ALA 41.A O no hydrogen 2.867 N/A TYR 46.A N ILE 42.A O no hydrogen 2.981 N/A PHE 47.A N ASN 43.A O no hydrogen 2.923 N/A SER 48.A N TYR 44.A O no hydrogen 2.832 N/A SER 48.A OG TYR 44.A O no hydrogen 2.623 N/A MET 49.A N LEU 45.A O no hydrogen 2.872 N/A VAL 50.A N TYR 46.A O no hydrogen 3.014 N/A THR 51.A N PHE 47.A O no hydrogen 2.926 N/A THR 51.A OG1 PHE 47.A O no hydrogen 3.396 N/A THR 51.A OG1 SER 48.A O no hydrogen 2.891 N/A THR 51.A OG1 PHE 95.A O no hydrogen 2.664 N/A GLY 52.A N SER 48.A O no hydrogen 2.798 N/A LEU 53.A N MET 49.A O no hydrogen 2.933 N/A SER 54.A N VAL 50.A O no hydrogen 2.963 N/A GLY 55.A N THR 51.A O no hydrogen 2.889 N/A ALA 56.A N GLY 52.A O no hydrogen 2.858 N/A ALA 57.A N LEU 53.A O no hydrogen 2.877 N/A LEU 58.A N SER 54.A O no hydrogen 2.950 N/A ALA 59.A N GLY 55.A O no hydrogen 2.889 N/A THR 60.A N ALA 56.A O no hydrogen 2.840 N/A THR 60.A OG1 ALA 56.A O no hydrogen 2.688 N/A THR 60.A OG1 HIS 595.A NE2 no hydrogen 2.622 N/A MET 61.A N ALA 57.A O no hydrogen 2.905 N/A ILE 62.A N LEU 58.A O no hydrogen 2.950 N/A ARG 63.A N ALA 59.A O no hydrogen 2.882 N/A ARG 63.A NE THR 592.A OG1 no hydrogen 3.386 N/A ARG 63.A NH2 HIS 588.A O no hydrogen 2.784 N/A ARG 63.A NH2 THR 592.A OG1 no hydrogen 3.302 N/A LEU 64.A N THR 60.A O no hydrogen 2.851 N/A GLU 65.A N MET 61.A O no hydrogen 2.951 N/A LEU 66.A N ILE 62.A O no hydrogen 2.908 N/A ALA 67.A N LEU 64.A O no hydrogen 3.451 N/A HIS 68.A ND1 PRO 69.A O no hydrogen 3.170 N/A GLY 70.A N ASP 579.A OD1 no hydrogen 2.641 N/A SER 71.A OG GLU 65.A OE2 no hydrogen 2.790 N/A PHE 74.A N GLU 65.A OE1 no hydrogen 2.567 N/A LYS 75.A NZ PRO 72.A O no hydrogen 3.381 N/A GLY 76.A N SER 71.A OG no hydrogen 2.524 N/A ASP 77.A N PHE 74.A O no hydrogen 3.314 N/A SER 78.A N GLY 76.A O no hydrogen 2.882 N/A SER 78.A OG GLY 76.A O no hydrogen 3.504 N/A SER 78.A OG HIS 578.A NE2 no hydrogen 2.472 N/A ARG 80.A NE ASP 77.A OD2 no hydrogen 3.138 N/A TYR 81.A N ASP 77.A O no hydrogen 2.942 N/A LEU 82.A N SER 78.A O no hydrogen 2.890 N/A GLN 83.A N LEU 79.A O no hydrogen 2.929 N/A VAL 84.A N ARG 80.A O no hydrogen 2.917 N/A VAL 85.A N TYR 81.A O no hydrogen 2.911 N/A THR 86.A N LEU 82.A O no hydrogen 2.922 N/A THR 86.A OG1 LEU 82.A O no hydrogen 2.797 N/A THR 86.A OG1 THR 258.A OG1 no hydrogen 2.746 N/A ALA 87.A N GLN 83.A O no hydrogen 2.897 N/A HIS 88.A N VAL 84.A O no hydrogen 2.894 N/A GLY 89.A N VAL 85.A O no hydrogen 2.967 N/A LEU 90.A N THR 86.A O no hydrogen 2.906 N/A ILE 91.A N ALA 87.A O no hydrogen 2.930 N/A MET 92.A N HIS 88.A O no hydrogen 2.902 N/A VAL 93.A N GLY 89.A O no hydrogen 2.956 N/A PHE 94.A N LEU 90.A O no hydrogen 2.804 N/A PHE 95.A N ILE 91.A O no hydrogen 3.089 N/A VAL 97.A N MET 92.A O no hydrogen 3.356 N/A ILE 100.A N VAL 96.A O no hydrogen 2.917 N/A LEU 101.A N VAL 97.A O no hydrogen 2.917 N/A PHE 102.A N VAL 98.A O no hydrogen 2.916 N/A GLY 104.A N PRO 99.A O no hydrogen 3.324 N/A PHE 105.A N ILE 100.A O no hydrogen 3.341 N/A PHE 105.A N LEU 101.A O no hydrogen 2.950 N/A ALA 106.A N LEU 101.A O no hydrogen 3.247 N/A ALA 106.A N PHE 102.A O no hydrogen 2.870 N/A ASN 107.A N GLY 103.A O no hydrogen 2.934 N/A PHE 108.A N GLY 104.A O no hydrogen 2.937 N/A LEU 109.A N PHE 105.A O no hydrogen 2.844 N/A LEU 109.A N ALA 106.A O no hydrogen 3.163 N/A ILE 110.A N ALA 106.A O no hydrogen 2.894 N/A HIS 113.A N LEU 109.A O no hydrogen 2.497 N/A VAL 114.A N ILE 110.A O no hydrogen 2.887 N/A GLY 115.A N PRO 111.A O no hydrogen 3.223 N/A SER 116.A N PRO 111.A O no hydrogen 3.114 N/A SER 116.A OG ASP 118.A O no hydrogen 3.084 N/A ALA 120.A N THR 303.A OG1 no hydrogen 2.607 N/A TYR 121.A N ASN 299.A OD1 no hydrogen 2.765 N/A ASN 125.A N TYR 121.A O no hydrogen 2.936 N/A SER 126.A N PRO 122.A O no hydrogen 2.978 N/A ILE 127.A N ARG 123.A O no hydrogen 2.874 N/A GLY 128.A N LEU 124.A O no hydrogen 2.873 N/A PHE 129.A N ASN 125.A O no hydrogen 3.052 N/A TRP 130.A N SER 126.A O no hydrogen 2.955 N/A ILE 131.A N ILE 127.A O no hydrogen 2.913 N/A ILE 131.A N GLY 128.A O no hydrogen 3.269 N/A GLN 132.A N GLY 128.A O no hydrogen 3.056 N/A CYS 134.A SG ILE 131.A O no hydrogen 3.187 N/A TYR 136.A N GLN 132.A O no hydrogen 3.019 N/A ILE 137.A N PRO 133.A O no hydrogen 2.897 N/A LEU 138.A N CYS 134.A O no hydrogen 2.921 N/A LEU 139.A N GLY 135.A O no hydrogen 2.936 N/A ALA 140.A N ILE 137.A O no hydrogen 3.435 N/A LYS 141.A NZ TYR 136.A OH no hydrogen 3.495 N/A ARG 146.A NE GLN 148.A O no hydrogen 3.079 N/A ARG 146.A NH1 ASP 77.A OD2 no hydrogen 3.479 N/A ARG 146.A NH2 ASP 77.A OD2 no hydrogen 3.014 N/A ARG 151.A N ASP 154.A OD2 no hydrogen 2.886 N/A ASP 154.A N ARG 151.A O no hydrogen 2.924 N/A PHE 158.A N LYS 155.A O no hydrogen 3.062 N/A SER 159.A N THR 156.A O no hydrogen 3.317 N/A PHE 160.A N THR 156.A O no hydrogen 2.880 N/A PHE 162.A N SER 159.A O no hydrogen 2.906 N/A LEU 163.A N PHE 160.A O no hydrogen 2.892 N/A LYS 167.A NZ ASP 191.A O no hydrogen 3.120 N/A LYS 167.A NZ ASP 191.A OD2 no hydrogen 3.199 N/A LYS 167.A NZ SER 194.A O no hydrogen 3.151 N/A TYR 168.A N LYS 165.A O no hydrogen 3.248 N/A ASN 169.A N MET 166.A O no hydrogen 3.302 N/A LYS 172.A N ASN 169.A O no hydrogen 2.923 N/A LYS 172.A NZ ASN 169.A OD1 no hydrogen 3.274 N/A GLU 173.A N GLN 170.A O no hydrogen 2.924 N/A TYR 181.A N TYR 178.A O no hydrogen 3.004 N/A PHE 184.A N PHE 180.A O no hydrogen 2.971 N/A LEU 185.A N TYR 181.A O no hydrogen 2.996 N/A LEU 185.A N LEU 182.A O no hydrogen 2.931 N/A LYS 186.A N ASP 183.A O no hydrogen 2.931 N/A LYS 187.A NZ ASP 192.A OD1 no hydrogen 3.312 N/A THR 190.A OG1 ASP 191.A OD1 no hydrogen 3.056 N/A TRP 197.A NE1 SER 157.A O no hydrogen 2.843 N/A ARG 200.A NH1 PHE 213.A O no hydrogen 3.026 N/A ARG 200.A NH2 PHE 213.A O no hydrogen 3.118 N/A TYR 208.A N LEU 205.A O no hydrogen 3.158 N/A LYS 217.A NZ TYR 233.A O no hydrogen 3.455 N/A LEU 218.A N PRO 215.A O no hydrogen 3.038 N/A THR 223.A OG1 MET 220.A O no hydrogen 2.617 N/A MET 224.A N TRP 221.A O no hydrogen 2.920 N/A ILE 225.A N LYS 222.A O no hydrogen 2.953 N/A ALA 234.A N PHE 231.A O no hydrogen 3.290 N/A ALA 235.A N TRP 232.A O no hydrogen 3.034 N/A SER 236.A N TRP 232.A O no hydrogen 2.924 N/A ARG 242.A NH1 VAL 239.A O no hydrogen 2.447 N/A ARG 242.A NH1 SER 241.A O no hydrogen 2.680 N/A ARG 242.A NH2 VAL 239.A O no hydrogen 2.938 N/A LYS 250.A NZ LYS 75.A O no hydrogen 2.794 N/A LYS 250.A NZ LYS 245.A O no hydrogen 3.093 N/A SER 252.A OG SER 252.A O no hydrogen 2.585 N/A LEU 256.A N ALA 253.A O no hydrogen 2.645 N/A THR 257.A OG1 THR 258.A O no hydrogen 3.272 N/A THR 258.A N THR 257.A OG1 no hydrogen 2.560 N/A THR 258.A OG1 THR 86.A OG1 no hydrogen 2.746 N/A ALA 259.A N GLN 279.A OE1 no hydrogen 3.331 N/A THR 265.A OG1 PRO 366.A O no hydrogen 3.081 N/A SER 268.A N ILE 264.A O no hydrogen 2.662 N/A SER 268.A OG ILE 264.A O no hydrogen 2.603 N/A SER 269.A N PRO 266.A O no hydrogen 2.933 N/A LYS 272.A N ASN 270.A OD1 no hydrogen 2.944 N/A LYS 272.A NZ TYR 273.A OH no hydrogen 3.470 N/A TYR 273.A N ASN 270.A O no hydrogen 3.226 N/A THR 274.A N ASN 270.A O no hydrogen 2.982 N/A THR 274.A OG1 PHE 267.A O no hydrogen 2.516 N/A THR 274.A OG1 SER 268.A O no hydrogen 3.310 N/A THR 274.A OG1 ASN 270.A O no hydrogen 3.170 N/A GLY 275.A N THR 255.A O no hydrogen 2.859 N/A GLY 277.A N ASP 280.A OD2 no hydrogen 3.079 N/A SER 278.A OG GLN 83.A OE1 no hydrogen 2.616 N/A ILE 281.A N GLY 277.A O no hydrogen 2.932 N/A LEU 282.A N SER 278.A O no hydrogen 2.872 N/A ILE 283.A N GLN 279.A O no hydrogen 2.959 N/A LEU 284.A N ASP 280.A O no hydrogen 2.956 N/A SER 285.A N ILE 281.A O no hydrogen 2.862 N/A SER 285.A OG ILE 281.A O no hydrogen 2.527 N/A VAL 286.A N LEU 282.A O no hydrogen 2.874 N/A VAL 287.A N ILE 283.A O no hydrogen 2.997 N/A PHE 288.A N LEU 284.A O no hydrogen 2.929 N/A ALA 289.A N SER 285.A O no hydrogen 2.834 N/A GLY 290.A N VAL 286.A O no hydrogen 2.881 N/A ILE 291.A N VAL 287.A O no hydrogen 2.993 N/A SER 292.A N PHE 288.A O no hydrogen 2.902 N/A SER 292.A OG GLN 132.A OE1 no hydrogen 2.777 N/A THR 293.A N ALA 289.A O no hydrogen 2.856 N/A THR 293.A OG1 ALA 289.A O no hydrogen 2.876 N/A THR 294.A N GLY 290.A O no hydrogen 2.884 N/A THR 294.A OG1 GLY 290.A O no hydrogen 2.860 N/A ILE 295.A N ILE 291.A O no hydrogen 2.976 N/A SER 296.A N SER 292.A O no hydrogen 2.901 N/A PHE 297.A N THR 293.A O no hydrogen 2.900 N/A THR 298.A N THR 294.A O no hydrogen 2.931 N/A THR 298.A OG1 THR 294.A O no hydrogen 2.748 N/A ASN 299.A N ILE 295.A O no hydrogen 2.957 N/A LEU 300.A N SER 296.A O no hydrogen 2.942 N/A LEU 301.A N PHE 297.A O no hydrogen 2.862 N/A ILE 302.A N THR 298.A O no hydrogen 2.970 N/A THR 303.A N ASN 299.A O no hydrogen 3.394 N/A THR 303.A OG1 ASN 299.A O no hydrogen 2.781 N/A ARG 305.A N LEU 301.A O no hydrogen 3.253 N/A THR 306.A N ILE 302.A O no hydrogen 3.038 N/A THR 306.A OG1 ILE 302.A O no hydrogen 3.199 N/A LEU 307.A N THR 303.A O no hydrogen 2.716 N/A MET 309.A N VAL 114.A O no hydrogen 3.184 N/A LEU 312.A N MET 309.A O no hydrogen 3.153 N/A ARG 313.A NH1 THR 306.A O no hydrogen 2.647 N/A ARG 313.A NH1 ALA 308.A O no hydrogen 2.764 N/A ARG 313.A NH2 THR 306.A O no hydrogen 3.055 N/A THR 323.A OG1 PRO 320.A O no hydrogen 2.432 N/A ILE 324.A N PRO 320.A O no hydrogen 2.998 N/A SER 325.A N PHE 321.A O no hydrogen 2.889 N/A SER 325.A OG PHE 321.A O no hydrogen 2.864 N/A SER 325.A OG ILE 386.A O no hydrogen 3.524 N/A ILE 326.A N VAL 322.A O no hydrogen 2.860 N/A PHE 327.A N THR 323.A O no hydrogen 2.927 N/A LEU 328.A N ILE 324.A O no hydrogen 2.978 N/A THR 329.A N SER 325.A O no hydrogen 2.905 N/A THR 329.A OG1 SER 325.A O no hydrogen 3.087 N/A THR 329.A OG1 ILE 326.A O no hydrogen 2.709 N/A LEU 330.A N ILE 326.A O no hydrogen 2.863 N/A ARG 331.A N PHE 327.A O no hydrogen 2.974 N/A ARG 331.A NH2 TYR 415.A OH no hydrogen 2.990 N/A MET 332.A N LEU 328.A O no hydrogen 2.951 N/A LEU 333.A N THR 329.A O no hydrogen 2.868 N/A ALA 334.A N LEU 330.A O no hydrogen 2.882 N/A THR 335.A N ARG 331.A O no hydrogen 3.005 N/A THR 335.A OG1 ARG 331.A O no hydrogen 3.184 N/A ILE 336.A N MET 332.A O no hydrogen 3.092 N/A THR 337.A N LEU 333.A O no hydrogen 2.967 N/A THR 337.A OG1 LEU 333.A O no hydrogen 2.530 N/A LEU 340.A N ILE 336.A O no hydrogen 2.974 N/A GLY 341.A N THR 337.A O no hydrogen 2.898 N/A ALA 342.A N PRO 338.A O no hydrogen 2.891 N/A ALA 343.A N VAL 339.A O no hydrogen 2.956 N/A VAL 344.A N LEU 340.A O no hydrogen 2.967 N/A ILE 345.A N GLY 341.A O no hydrogen 2.890 N/A MET 346.A N ALA 342.A O no hydrogen 2.920 N/A MET 347.A N ALA 343.A O no hydrogen 2.942 N/A ALA 348.A N VAL 344.A O no hydrogen 2.911 N/A PHE 349.A N ILE 345.A O no hydrogen 2.916 N/A ASP 350.A N MET 346.A O no hydrogen 2.897 N/A ARG 351.A N MET 347.A O no hydrogen 2.914 N/A ARG 351.A NE ASP 280.A OD1 no hydrogen 2.342 N/A ARG 351.A NH1 SER 268.A O no hydrogen 2.590 N/A ARG 351.A NH1 THR 274.A O no hydrogen 3.022 N/A ARG 351.A NH1 THR 274.A OG1 no hydrogen 2.574 N/A ARG 351.A NH2 THR 274.A O no hydrogen 2.723 N/A ARG 351.A NH2 GLY 275.A O no hydrogen 2.955 N/A ARG 351.A NH2 ASP 280.A OD2 no hydrogen 3.532 N/A HIS 352.A N ALA 348.A O no hydrogen 2.951 N/A HIS 352.A NE2 ASP 280.A OD1 no hydrogen 2.913 N/A TRP 353.A N PHE 349.A O no hydrogen 2.703 N/A THR 356.A OG1 THR 355.A O no hydrogen 2.547 N/A PHE 358.A N ASP 350.A OD2 no hydrogen 2.816 N/A ASP 365.A N PHE 357.A O no hydrogen 3.413 N/A LEU 368.A N ASP 365.A O no hydrogen 3.132 N/A GLN 370.A N PRO 366.A O no hydrogen 2.992 N/A HIS 371.A N ILE 367.A O no hydrogen 2.858 N/A LEU 372.A N LEU 368.A O no hydrogen 2.926 N/A PHE 373.A N SER 369.A O no hydrogen 2.956 N/A TRP 374.A N GLN 370.A O no hydrogen 2.921 N/A PHE 375.A N HIS 371.A O no hydrogen 2.853 N/A PHE 376.A N LEU 372.A O no hydrogen 3.016 N/A GLY 377.A N PHE 373.A O no hydrogen 2.435 N/A HIS 378.A N TRP 374.A O no hydrogen 3.303 N/A GLU 380.A N PHE 376.A O no hydrogen 3.199 N/A GLU 380.A N GLY 377.A O no hydrogen 2.953 N/A VAL 381.A N GLY 377.A O no hydrogen 3.344 N/A TYR 382.A N HIS 378.A O no hydrogen 2.999 N/A VAL 383.A N PRO 379.A O no hydrogen 2.840 N/A LEU 384.A N GLU 380.A O no hydrogen 2.922 N/A ILE 385.A N VAL 381.A O no hydrogen 2.962 N/A ILE 386.A N TYR 382.A O no hydrogen 3.307 N/A THR 388.A N ILE 385.A O no hydrogen 3.234 N/A THR 388.A OG1 ILE 385.A O no hydrogen 2.588 N/A PHE 389.A N ILE 386.A O no hydrogen 2.840 N/A PHE 391.A N PRO 387.A O no hydrogen 2.946 N/A ILE 392.A N THR 388.A O no hydrogen 2.981 N/A ASN 393.A N PHE 389.A O no hydrogen 2.894 N/A MET 394.A N GLY 390.A O no hydrogen 2.914 N/A MET 394.A N PHE 391.A O no hydrogen 3.267 N/A ILE 395.A N PHE 391.A O no hydrogen 2.949 N/A VAL 396.A N ILE 392.A O no hydrogen 2.933 N/A HIS 398.A N MET 394.A O no hydrogen 3.404 N/A ASN 399.A N ILE 395.A O no hydrogen 3.182 N/A ASN 399.A ND2 ILE 395.A O no hydrogen 2.707 N/A ASN 400.A N VAL 396.A O no hydrogen 3.047 N/A ASN 400.A ND2 SER 463.A O no hydrogen 2.741 N/A THR 401.A N HIS 398.A O no hydrogen 3.398 N/A THR 401.A OG1 PRO 627.A O no hydrogen 2.451 N/A ARG 402.A N PRO 397.A O no hydrogen 3.405 N/A ARG 402.A NE ARG 403.A O no hydrogen 2.825 N/A ARG 402.A NH1 VAL 465.A O no hydrogen 2.434 N/A ARG 402.A NH2 ARG 403.A O no hydrogen 3.187 N/A ARG 403.A NH1 VAL 404.A O no hydrogen 2.313 N/A ARG 403.A NH1 ALA 405.A O no hydrogen 2.584 N/A ALA 405.A N SER 463.A OG no hydrogen 3.031 N/A LYS 407.A NZ VAL 317.A O no hydrogen 3.316 N/A LYS 407.A NZ MET 319.A O no hydrogen 2.563 N/A MET 410.A N SER 406.A O no hydrogen 2.925 N/A ILE 411.A N LYS 407.A O no hydrogen 2.902 N/A TRP 412.A N HIS 408.A O no hydrogen 2.943 N/A ALA 413.A N HIS 409.A O no hydrogen 2.853 N/A ILE 414.A N MET 410.A O no hydrogen 2.939 N/A TYR 415.A N ILE 411.A O no hydrogen 2.923 N/A VAL 416.A N TRP 412.A O no hydrogen 2.889 N/A MET 417.A N ALA 413.A O no hydrogen 2.906 N/A ALA 418.A N ILE 414.A O no hydrogen 2.908 N/A TYR 419.A N TYR 415.A O no hydrogen 2.900 N/A MET 420.A N VAL 416.A O no hydrogen 2.886 N/A GLY 421.A N MET 417.A O no hydrogen 2.924 N/A GLY 421.A N ALA 418.A O no hydrogen 3.228 N/A TYR 422.A N TYR 419.A O no hydrogen 3.223 N/A TYR 422.A OH MET 332.A O no hydrogen 3.128 N/A LEU 423.A N MET 420.A O no hydrogen 3.110 N/A TRP 425.A NE1 HIS 371.A ND1 no hydrogen 3.245 N/A HIS 427.A N VAL 424.A O no hydrogen 3.319 N/A HIS 427.A ND1 THR 446.A OG1 no hydrogen 2.796 N/A HIS 427.A NE2 HIS 428.A NE2 no hydrogen 2.910 N/A MET 429.A N GLY 426.A O no hydrogen 2.894 N/A TYR 430.A OH SER 443.A OG no hydrogen 2.882 N/A ARG 439.A N ASP 435.A O no hydrogen 2.912 N/A ARG 439.A NH2 HIS 436.A ND1 no hydrogen 2.984 N/A THR 440.A N HIS 436.A O no hydrogen 2.863 N/A THR 440.A OG1 HIS 436.A O no hydrogen 2.727 N/A THR 440.A OG1 ARG 437.A O no hydrogen 2.650 N/A MET 441.A N ARG 437.A O no hydrogen 2.962 N/A TYR 442.A N SER 438.A O no hydrogen 2.892 N/A SER 443.A N ARG 439.A O no hydrogen 2.919 N/A SER 443.A OG TYR 430.A OH no hydrogen 2.882 N/A SER 443.A OG ARG 439.A O no hydrogen 2.958 N/A THR 444.A N THR 440.A O no hydrogen 2.901 N/A THR 444.A OG1 THR 440.A O no hydrogen 2.512 N/A THR 444.A OG1 MET 441.A O no hydrogen 3.090 N/A ILE 445.A N MET 441.A O no hydrogen 2.945 N/A THR 446.A N TYR 442.A O no hydrogen 2.870 N/A THR 446.A OG1 HIS 427.A ND1 no hydrogen 2.796 N/A THR 446.A OG1 TYR 442.A O no hydrogen 2.628 N/A ILE 447.A N SER 443.A O no hydrogen 2.938 N/A ILE 449.A N THR 446.A O no hydrogen 3.096 N/A SER 450.A N ILE 447.A O no hydrogen 3.453 N/A SER 450.A OG ILE 447.A O no hydrogen 2.729 N/A MET 451.A N MET 448.A O no hydrogen 3.291 N/A THR 454.A N SER 450.A O no hydrogen 3.177 N/A THR 454.A OG1 SER 450.A O no hydrogen 2.797 N/A ILE 455.A N MET 451.A O no hydrogen 3.471 N/A LYS 456.A N PRO 452.A O no hydrogen 3.208 N/A VAL 457.A N ALA 453.A O no hydrogen 2.940 N/A VAL 458.A N THR 454.A O no hydrogen 2.887 N/A ASN 459.A N ILE 455.A O no hydrogen 2.908 N/A TRP 460.A N LYS 456.A O no hydrogen 2.918 N/A THR 461.A N VAL 457.A O no hydrogen 2.945 N/A THR 461.A OG1 VAL 457.A O no hydrogen 2.828 N/A LEU 462.A N VAL 458.A O no hydrogen 2.897 N/A SER 463.A N ASN 459.A O no hydrogen 2.861 N/A SER 463.A OG ASN 459.A O no hydrogen 2.576 N/A LEU 464.A N TRP 460.A O no hydrogen 2.987 N/A LEU 464.A N THR 461.A O no hydrogen 3.181 N/A LYS 470.A N ASN 399.A O no hydrogen 2.917 N/A PHE 477.A N LEU 473.A O no hydrogen 3.360 N/A SER 478.A N PRO 474.A O no hydrogen 2.923 N/A SER 478.A OG PRO 474.A O no hydrogen 3.056 N/A MET 479.A N PHE 475.A O no hydrogen 2.930 N/A SER 480.A N LEU 476.A O no hydrogen 2.932 N/A SER 480.A OG LEU 476.A O no hydrogen 3.177 N/A SER 480.A OG SER 555.A OG no hydrogen 3.189 N/A PHE 481.A N PHE 477.A O no hydrogen 2.872 N/A LEU 482.A N SER 478.A O no hydrogen 2.917 N/A LEU 483.A N MET 479.A O no hydrogen 2.952 N/A LEU 484.A N SER 480.A O no hydrogen 2.914 N/A PHE 485.A N PHE 481.A O no hydrogen 2.869 N/A LEU 486.A N LEU 482.A O no hydrogen 2.963 N/A ALA 488.A N LEU 484.A O no hydrogen 3.271 N/A GLY 489.A N PHE 485.A O no hydrogen 3.228 N/A THR 491.A N VAL 487.A O no hydrogen 2.960 N/A THR 491.A OG1 VAL 487.A O no hydrogen 3.067 N/A THR 491.A OG1 ALA 488.A O no hydrogen 2.749 N/A GLY 492.A N ALA 488.A O no hydrogen 2.892 N/A MET 493.A N GLY 489.A O no hydrogen 2.922 N/A TRP 494.A N PHE 490.A O no hydrogen 2.889 N/A LEU 495.A N THR 491.A O no hydrogen 2.938 N/A SER 496.A N MET 493.A O no hydrogen 3.014 N/A SER 496.A OG SER 443.A O no hydrogen 3.373 N/A HIS 497.A N TRP 494.A O no hydrogen 3.019 N/A LEU 500.A N HIS 497.A ND1 no hydrogen 3.021 N/A ASN 501.A N HIS 497.A O no hydrogen 2.856 N/A ASN 501.A ND2 LEU 495.A O no hydrogen 2.924 N/A VAL 502.A N VAL 498.A O no hydrogen 2.889 N/A SER 503.A N SER 499.A O no hydrogen 2.963 N/A SER 503.A OG SER 499.A O no hydrogen 3.328 N/A SER 503.A OG LEU 500.A O no hydrogen 2.683 N/A MET 504.A N ASN 501.A O no hydrogen 3.032 N/A THR 507.A OG1 HIS 505.A O no hydrogen 2.651 N/A PHE 508.A N MET 573.A O no hydrogen 3.228 N/A TYR 509.A OH THR 491.A O no hydrogen 3.357 N/A VAL 511.A N THR 507.A O no hydrogen 3.011 N/A ALA 512.A N PHE 508.A O no hydrogen 2.840 N/A HIS 513.A N TYR 509.A O no hydrogen 2.904 N/A HIS 513.A ND1 ALA 488.A O no hydrogen 3.125 N/A PHE 514.A N VAL 510.A O no hydrogen 2.998 N/A HIS 515.A N VAL 511.A O no hydrogen 2.924 N/A HIS 515.A ND1 VAL 511.A O no hydrogen 2.556 N/A ILE 516.A N ALA 512.A O no hydrogen 2.882 N/A MET 517.A N HIS 513.A O no hydrogen 2.969 N/A LEU 518.A N PHE 514.A O no hydrogen 2.895 N/A SER 519.A OG GLN 558.A OE1 no hydrogen 2.404 N/A GLY 520.A N HIS 515.A O no hydrogen 2.848 N/A ALA 521.A N ILE 516.A O no hydrogen 3.004 N/A ALA 522.A N MET 517.A O no hydrogen 3.177 N/A MET 523.A N LEU 518.A O no hydrogen 3.180 N/A THR 524.A N GLY 520.A O no hydrogen 2.906 N/A THR 524.A OG1 GLY 520.A O no hydrogen 2.283 N/A GLY 525.A N ALA 521.A O no hydrogen 2.901 N/A ILE 526.A N ALA 522.A O no hydrogen 2.918 N/A PHE 527.A N MET 523.A O no hydrogen 2.879 N/A SER 528.A N THR 524.A O no hydrogen 2.893 N/A SER 528.A OG THR 524.A O no hydrogen 3.484 N/A SER 528.A OG GLY 525.A O no hydrogen 2.494 N/A GLY 529.A N GLY 525.A O no hydrogen 2.913 N/A ILE 530.A N ILE 526.A O no hydrogen 2.907 N/A TYR 531.A N PHE 527.A O no hydrogen 2.907 N/A TYR 531.A OH HIS 550.A ND1 no hydrogen 2.942 N/A TYR 532.A N SER 528.A O no hydrogen 2.855 N/A TYR 533.A N GLY 529.A O no hydrogen 3.021 N/A PHE 534.A N TYR 531.A O no hydrogen 3.289 N/A LEU 537.A N TYR 533.A O no hydrogen 2.758 N/A LEU 537.A N PHE 534.A O no hydrogen 3.236 N/A PHE 538.A N PHE 534.A O no hydrogen 2.828 N/A GLY 539.A N ASN 535.A O no hydrogen 2.711 N/A LYS 541.A N ARG 617.A O no hydrogen 2.722 N/A SER 543.A OG ASP 611.A OD2 no hydrogen 2.736 N/A SER 543.A OG SER 612.A OG no hydrogen 2.922 N/A GLY 547.A N SER 543.A O no hydrogen 2.935 N/A TYR 548.A N ARG 544.A O no hydrogen 2.858 N/A MET 549.A N MET 545.A O no hydrogen 2.955 N/A HIS 550.A N PHE 546.A O no hydrogen 2.897 N/A HIS 550.A ND1 TYR 531.A OH no hydrogen 2.942 N/A LEU 551.A N GLY 547.A O no hydrogen 2.883 N/A ILE 552.A N TYR 548.A O no hydrogen 2.898 N/A TYR 553.A N MET 549.A O no hydrogen 2.940 N/A TYR 554.A N HIS 550.A O no hydrogen 2.882 N/A SER 555.A N LEU 551.A O no hydrogen 3.138 N/A SER 555.A OG SER 480.A OG no hydrogen 3.189 N/A GLY 556.A N ILE 552.A O no hydrogen 3.367 N/A GLY 557.A N TYR 553.A O no hydrogen 3.128 N/A GLN 558.A N TYR 554.A O no hydrogen 3.352 N/A GLN 558.A NE2 TYR 554.A O no hydrogen 3.647 N/A VAL 560.A N GLY 556.A O no hydrogen 2.964 N/A ALA 561.A N GLY 557.A O no hydrogen 2.875 N/A PHE 562.A N GLN 558.A O no hydrogen 2.934 N/A PHE 562.A N TRP 559.A O no hydrogen 3.255 N/A VAL 563.A N TRP 559.A O no hydrogen 2.950 N/A TYR 567.A N VAL 563.A O no hydrogen 3.024 N/A LEU 568.A N PRO 564.A O no hydrogen 2.864 N/A GLY 569.A N LEU 565.A O no hydrogen 2.878 N/A PHE 570.A N PHE 566.A O no hydrogen 2.969 N/A SER 571.A N LEU 568.A O no hydrogen 2.969 N/A SER 571.A OG TYR 567.A O no hydrogen 2.912 N/A GLY 572.A N GLY 569.A O no hydrogen 3.322 N/A ARG 575.A N ASP 506.A O no hydrogen 3.197 N/A ARG 576.A NH2 THR 262.A OG1 no hydrogen 3.268 N/A HIS 578.A NE2 SER 78.A OG no hydrogen 2.472 N/A TYR 580.A OH LEU 66.A O no hydrogen 2.662 N/A PHE 584.A N PRO 581.A O no hydrogen 3.224 N/A HIS 588.A N PHE 584.A O no hydrogen 2.974 N/A HIS 588.A ND1 PHE 584.A O no hydrogen 2.790 N/A SER 589.A N MET 585.A O no hydrogen 2.861 N/A SER 589.A OG ALA 67.A O no hydrogen 3.057 N/A SER 589.A OG MET 585.A O no hydrogen 2.713 N/A MET 590.A N GLY 586.A O no hydrogen 2.963 N/A SER 591.A N TRP 587.A O no hydrogen 2.887 N/A SER 591.A OG ALA 561.A O no hydrogen 2.578 N/A THR 592.A N HIS 588.A O no hydrogen 2.936 N/A THR 592.A OG1 ARG 63.A O no hydrogen 3.190 N/A THR 592.A OG1 HIS 588.A O no hydrogen 2.841 N/A THR 593.A N SER 589.A O no hydrogen 2.899 N/A THR 593.A OG1 SER 589.A O no hydrogen 3.351 N/A GLY 594.A N MET 590.A O no hydrogen 2.932 N/A HIS 595.A N SER 591.A O no hydrogen 2.912 N/A HIS 595.A NE2 THR 60.A OG1 no hydrogen 2.622 N/A PHE 596.A N THR 592.A O no hydrogen 2.934 N/A ILE 597.A N THR 593.A O no hydrogen 2.915 N/A THR 598.A N GLY 594.A O no hydrogen 2.931 N/A THR 598.A OG1 GLY 594.A O no hydrogen 3.331 N/A LEU 599.A N HIS 595.A O no hydrogen 2.893 N/A VAL 600.A N PHE 596.A O no hydrogen 2.915 N/A GLY 601.A N ILE 597.A O no hydrogen 2.924 N/A ILE 602.A N THR 598.A O no hydrogen 2.909 N/A ILE 603.A N LEU 599.A O no hydrogen 2.923 N/A PHE 604.A N VAL 600.A O no hydrogen 2.901 N/A PHE 605.A N GLY 601.A O no hydrogen 2.900 N/A PHE 606.A N ILE 602.A O no hydrogen 2.987 N/A LEU 607.A N ILE 603.A O no hydrogen 2.904 N/A MET 608.A N PHE 604.A O no hydrogen 2.813 N/A MET 609.A N PHE 605.A O no hydrogen 2.999 N/A PHE 610.A N PHE 606.A O no hydrogen 2.981 N/A ASP 611.A N LEU 607.A O no hydrogen 2.844 N/A SER 612.A N MET 608.A O no hydrogen 2.843 N/A SER 612.A OG SER 543.A OG no hydrogen 2.922 N/A SER 612.A OG MET 608.A O no hydrogen 2.634 N/A HIS 613.A N MET 609.A O no hydrogen 2.999 N/A HIS 613.A ND1 MET 609.A O no hydrogen 2.873 N/A ILE 614.A N PHE 610.A O no hydrogen 2.925 N/A GLU 615.A N ASP 611.A O no hydrogen 2.881 N/A ARG 616.A N SER 612.A O no hydrogen 3.182 N/A ARG 617.A NH1 ARG 616.A O no hydrogen 2.361 N/A SER 621.A OG THR 623.A OG1 no hydrogen 2.853 N/A THR 623.A OG1 SER 621.A OG no hydrogen 2.853 N/A LEU 624.A N SER 621.A O no hydrogen 3.271 N/A LEU 626.A N THR 623.A O no hydrogen 3.020 N/A ARG 628.A NH1 PRO 627.A O no hydrogen 2.914 N/A TYR 635.A N LYS 631.A O no hydrogen 2.986 N/A TYR 636.A N ARG 632.A O no hydrogen 2.875 N/A ILE 637.A N ILE 633.A O no hydrogen 2.925 N/A PHE 638.A N SER 634.A O no hydrogen 2.952 N/A LYS 639.A N TYR 635.A O no hydrogen 2.892 N/A ILE 640.A N TYR 636.A O no hydrogen 2.923 N/A ARG 641.A N ILE 637.A O no hydrogen 2.995 N/A ARG 641.A NH1 ARG 641.A O no hydrogen 3.122 N/A TYR 642.A N PHE 638.A O no hydrogen 2.815 N/A LEU 643.A N LYS 639.A O no hydrogen 2.918 N/A GLN 644.A N ILE 640.A O no hydrogen 2.988 N/A HIS 645.A N ARG 641.A O no hydrogen 2.864 N/A HIS 645.A ND1 SER 648.A OG no hydrogen 3.288 N/A THR 646.A N TYR 642.A O no hydrogen 2.880 N/A THR 646.A OG1 TYR 642.A O no hydrogen 2.768 N/A LYS 647.A N LEU 643.A O no hydrogen 2.920 N/A SER 648.A N GLN 644.A O no hydrogen 2.918 N/A SER 648.A OG GLN 644.A O no hydrogen 3.409 N/A SER 648.A OG HIS 645.A O no hydrogen 2.453 N/A LYS 649.A N HIS 645.A O no hydrogen 2.904 N/A MET 650.A N THR 646.A O no hydrogen 2.920 N/A ARG 659.A N GLY 655.A O no hydrogen 2.938 N/A LEU 660.A N SER 656.A O no hydrogen 2.892 N/A MET 661.A N THR 657.A O no hydrogen 2.899 N/A LEU 662.A N VAL 658.A O no hydrogen 2.945 N/A ILE 663.A N ARG 659.A O no hydrogen 2.918 N/A ASN 664.A N LEU 660.A O no hydrogen 2.877 N/A ARG 665.A N MET 661.A O no hydrogen 2.933 N/A HIS 666.A N ILE 663.A O no hydrogen 3.481 N/A HIS 666.A ND1 ILE 663.A O no hydrogen 2.278 N/A