Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yo8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 1.A O no hydrogen 3.047 N/A ASN 6.A N CYS 3.A O no hydrogen 3.143 N/A ALA 12.A N PHE 9.A O no hydrogen 2.767 N/A SER 15.A N SER 23.A O no hydrogen 2.765 N/A PHE 17.A N SER 21.A O no hydrogen 3.205 N/A GLY 20.A N PHE 17.A O no hydrogen 3.307 N/A SER 21.A N ASP 19.A OD1 no hydrogen 3.277 N/A SER 21.A OG ASP 19.A OD1 no hydrogen 2.580 N/A SER 21.A OG ASP 19.A OD2 no hydrogen 3.529 N/A SER 23.A N SER 15.A O no hydrogen 2.901 N/A SER 23.A OG TRP 22.A O no hydrogen 3.237 N/A GLY 25.A N GLN 13.A O no hydrogen 2.911 N/A CYS 27.A SG LEU 32.A O no hydrogen 3.509 N/A CYS 27.A SG GLY 33.A O no hydrogen 3.887 N/A CYS 27.A SG ASN 34.A O no hydrogen 3.614 N/A LEU 32.A N GLU 39.A O no hydrogen 2.423 N/A THR 36.A OG1 ASN 34.A OD1 no hydrogen 3.265 N/A CYS 38.A SG LEU 32.A O no hydrogen 3.329 N/A CYS 38.A SG GLY 33.A O no hydrogen 3.174 N/A CYS 38.A SG ASN 34.A O no hydrogen 3.536 N/A LEU 41.A N GLY 30.A O no hydrogen 2.942 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.788 N/A ALA 45.A N ASP 42.A OD1 no hydrogen 2.662 N/A CYS 51.A SG ARG 59.A O no hydrogen 4.028 N/A PHE 52.A N GLN 94.A OE1 no hydrogen 3.144 N/A THR 54.A OG1 PHE 52.A O no hydrogen 3.484 N/A VAL 61.A N HIS 68.A O no hydrogen 2.635 N/A ASN 62.A ND2 ASP 40.A OD1 no hydrogen 3.327 N/A THR 63.A N GLY 66.A O no hydrogen 3.215 N/A THR 63.A OG1 PRO 65.A O no hydrogen 3.288 N/A PHE 67.A N GLY 83.A O no hydrogen 2.988 N/A HIS 68.A N VAL 61.A O no hydrogen 2.680 N/A CYS 69.A N PRO 81.A O no hydrogen 3.016 N/A CYS 69.A SG GLN 94.A OE1 no hydrogen 3.675 N/A LEU 70.A N ARG 59.A O no hydrogen 3.415 N/A ARG 75.A NE ASP 375.A O no hydrogen 2.741 N/A ARG 75.A NH1 HIS 120.A O no hydrogen 2.732 N/A ARG 75.A NH1 SER 122.A O no hydrogen 2.802 N/A ARG 75.A NH2 SER 122.A O no hydrogen 3.434 N/A ARG 75.A NH2 ASP 375.A OD2 no hydrogen 3.255 N/A TYR 76.A N PRO 73.A O no hydrogen 3.067 N/A ARG 77.A N GLU 97.A O no hydrogen 2.977 N/A GLN 80.A NE2 CYS 69.A O no hydrogen 2.839 N/A GLY 83.A N PHE 67.A O no hydrogen 3.526 N/A ALA 89.A N LEU 86.A O no hydrogen 3.335 N/A THR 91.A OG1 GLU 87.A O no hydrogen 3.127 N/A GLN 94.A N ILE 50.A O no hydrogen 3.089 N/A GLN 94.A NE2 LEU 70.A O no hydrogen 2.967 N/A GLN 94.A NE2 ASN 79.A O no hydrogen 2.852 N/A GLU 97.A N ARG 77.A O no hydrogen 2.795 N/A GLU 99.A N ARG 75.A O no hydrogen 2.827 N/A ASP 104.A N ASN 100.A O no hydrogen 2.701 N/A LYS 105.A NZ ASP 104.A O no hydrogen 2.653 N/A THR 106.A N PRO 101.A O no hydrogen 3.256 N/A HIS 107.A ND1 PRO 101.A O no hydrogen 3.304 N/A ASN 108.A N ASN 108.A OD1 no hydrogen 2.660 N/A HIS 110.A N GLY 137.A O no hydrogen 3.120 N/A HIS 112.A N HIS 110.A ND1 no hydrogen 3.032 N/A ALA 113.A N HIS 110.A O no hydrogen 2.590 N/A GLU 114.A N GLU 128.A O no hydrogen 2.603 N/A ILE 116.A N LYS 126.A O no hydrogen 2.877 N/A SER 122.A N GLY 119.A O no hydrogen 3.144 N/A SER 122.A OG PRO 124.A O no hydrogen 2.681 N/A ASP 123.A N ASP 392.A OD2 no hydrogen 3.196 N/A TYR 125.A OH ASN 108.A OD1 no hydrogen 2.458 N/A LYS 126.A N ILE 116.A O no hydrogen 2.914 N/A LYS 126.A NZ GLU 128.A OE2 no hydrogen 3.065 N/A GLU 128.A N GLU 114.A O no hydrogen 3.070 N/A CYS 129.A SG ILE 139.A O no hydrogen 3.805 N/A GLN 130.A N HIS 112.A O no hydrogen 2.872 N/A GLN 130.A NE2 ALA 113.A O no hydrogen 3.123 N/A TYR 133.A N GLN 130.A O no hydrogen 2.872 N/A ALA 134.A N GLY 141.A O no hydrogen 2.766 N/A ASP 136.A N ILE 139.A O no hydrogen 3.277 N/A LEU 138.A N ASP 136.A OD1 no hydrogen 2.936 N/A ILE 139.A N ASP 136.A OD1 no hydrogen 2.936 N/A CYS 140.A SG HIS 112.A O no hydrogen 3.746 N/A GLY 141.A N ALA 134.A O no hydrogen 2.762 N/A ASP 143.A N GLY 132.A O no hydrogen 2.833 N/A SER 144.A N ASN 151.A OD1 no hydrogen 2.809 N/A SER 144.A OG PRO 170.A O no hydrogen 3.309 N/A LEU 146.A N ASP 143.A O no hydrogen 3.252 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 3.188 N/A GLY 148.A N ASP 143.A OD2 no hydrogen 2.987 N/A TRP 149.A N ASP 147.A OD1 no hydrogen 3.013 N/A TRP 149.A NE1 SER 175.A O no hydrogen 2.792 N/A ASN 151.A N GLU 142.A O no hydrogen 2.903 N/A ALA 157.A N LEU 154.A O no hydrogen 2.826 N/A HIS 163.A ND1 GLY 148.A O no hydrogen 2.801 N/A CYS 164.A SG TYR 162.A O no hydrogen 3.757 N/A LYS 166.A N ASN 153.A OD1 no hydrogen 2.719 N/A ASP 167.A N PRO 150.A O no hydrogen 2.830 N/A ASN 168.A ND2 GLN 177.A O no hydrogen 2.855 N/A CYS 169.A N ASP 167.A OD1 no hydrogen 2.850 N/A CYS 169.A SG ASN 168.A O no hydrogen 3.379 N/A CYS 169.A SG ASN 168.A OD1 no hydrogen 4.046 N/A CYS 169.A SG GLY 186.A O no hydrogen 3.625 N/A LEU 172.A N CYS 169.A O no hydrogen 3.190 N/A ASN 174.A N ASP 147.A OD2 no hydrogen 3.082 N/A ASN 174.A ND2 ASN 168.A OD1 no hydrogen 2.701 N/A SER 175.A N GLU 435.A OE2 no hydrogen 3.190 N/A SER 175.A OG HIS 431.A ND1 no hydrogen 2.834 N/A SER 175.A OG GLU 435.A OE2 no hydrogen 3.449 N/A SER 175.A OG SER 608.A OG no hydrogen 3.001 N/A GLN 177.A N ASN 174.A O no hydrogen 2.681 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.808 N/A PHE 180.A N ASP 187.A OD1 no hydrogen 2.938 N/A LYS 182.A NZ ASP 179.A O no hydrogen 3.111 N/A ASP 183.A N ASP 181.A OD1 no hydrogen 3.077 N/A GLY 184.A N ASP 179.A OD2 no hydrogen 2.770 N/A ILE 185.A N ASP 183.A OD1 no hydrogen 3.083 N/A GLY 186.A N ASN 168.A O no hydrogen 2.891 N/A ASP 187.A N GLU 178.A O no hydrogen 2.680 N/A CYS 189.A N GLY 186.A O no hydrogen 3.236 N/A CYS 189.A SG ASN 168.A O no hydrogen 3.602 N/A CYS 189.A SG GLY 186.A O no hydrogen 3.637 N/A ASP 190.A N GLY 186.A O no hydrogen 2.853 N/A ASP 192.A N ASP 190.A OD1 no hydrogen 3.064 N/A ASN 195.A N ASP 192.A O no hydrogen 3.391 N/A ASN 195.A ND2 ASP 183.A OD2 no hydrogen 3.204 N/A GLY 197.A N ASP 192.A OD2 no hydrogen 3.119 N/A VAL 198.A N ASP 196.A OD1 no hydrogen 3.092 N/A THR 199.A OG1 ASP 191.A O no hydrogen 3.523 N/A ASP 200.A N ASP 191.A O no hydrogen 3.190 N/A LYS 202.A N THR 199.A O no hydrogen 2.894 N/A ASP 203.A N THR 199.A O no hydrogen 2.749 N/A ASN 204.A N GLN 213.A OE1 no hydrogen 3.275 N/A ASN 204.A ND2 GLN 213.A O no hydrogen 3.118 N/A CYS 205.A N ASP 203.A OD1 no hydrogen 2.863 N/A CYS 205.A SG ASN 204.A O no hydrogen 3.371 N/A CYS 205.A SG GLY 222.A O no hydrogen 3.185 N/A LEU 208.A N CYS 205.A O no hydrogen 3.189 N/A ASN 210.A N ASP 196.A OD2 no hydrogen 3.186 N/A ASN 210.A ND2 ASN 204.A OD1 no hydrogen 3.534 N/A GLN 213.A NE2 ASP 203.A OD1 no hydrogen 3.326 N/A GLN 213.A NE2 ASN 210.A O no hydrogen 2.998 N/A TYR 216.A N ASP 223.A OD1 no hydrogen 2.968 N/A GLU 220.A N ASP 215.A OD2 no hydrogen 2.875 N/A VAL 221.A N ASP 219.A OD1 no hydrogen 2.994 N/A GLY 222.A N ASN 204.A O no hydrogen 2.817 N/A ASP 223.A N ALA 214.A O no hydrogen 2.532 N/A ARG 224.A NH1 PHE 209.A O no hydrogen 3.212 N/A CYS 225.A N GLY 222.A O no hydrogen 3.393 N/A CYS 225.A SG ASN 204.A O no hydrogen 3.823 N/A CYS 225.A SG GLY 222.A O no hydrogen 3.638 N/A ASP 226.A N ASP 223.A O no hydrogen 3.267 N/A ASN 227.A N GLN 236.A OE1 no hydrogen 2.672 N/A ASN 227.A ND2 GLN 236.A O no hydrogen 3.004 N/A CYS 228.A N ASP 226.A OD1 no hydrogen 2.835 N/A CYS 228.A SG ASN 227.A O no hydrogen 3.398 N/A CYS 228.A SG GLY 245.A O no hydrogen 3.049 N/A VAL 231.A N CYS 228.A O no hydrogen 3.148 N/A ASN 233.A N ASP 219.A OD2 no hydrogen 2.892 N/A ASN 233.A ND2 ASN 227.A OD1 no hydrogen 3.066 N/A GLN 236.A N ASN 233.A O no hydrogen 3.059 N/A GLN 236.A NE2 ASP 226.A OD1 no hydrogen 2.957 N/A GLN 236.A NE2 ASN 233.A O no hydrogen 3.031 N/A THR 239.A N ASP 246.A OD2 no hydrogen 2.842 N/A THR 239.A OG1 ASP 246.A OD1 no hydrogen 2.671 N/A THR 239.A OG1 ASP 246.A OD2 no hydrogen 3.243 N/A ASN 241.A N ASP 238.A O no hydrogen 3.002 N/A GLY 243.A N ASP 238.A OD2 no hydrogen 2.836 N/A GLU 244.A N ASN 242.A OD1 no hydrogen 2.799 N/A GLY 245.A N ASN 227.A O no hydrogen 3.109 N/A ASP 246.A N ILE 237.A O no hydrogen 2.626 N/A CYS 248.A N GLY 245.A O no hydrogen 3.366 N/A CYS 248.A SG ASN 227.A O no hydrogen 3.755 N/A CYS 248.A SG GLY 245.A O no hydrogen 3.650 N/A SER 249.A N ASP 246.A O no hydrogen 2.953 N/A ASP 251.A N SER 249.A OG no hydrogen 3.032 N/A ILE 252.A N ASN 259.A OD1 no hydrogen 3.178 N/A GLY 254.A N ASP 251.A O no hydrogen 3.142 N/A ASP 256.A N ASP 251.A OD2 no hydrogen 2.751 N/A VAL 257.A N ASP 255.A OD1 no hydrogen 3.077 N/A ASN 259.A N VAL 250.A O no hydrogen 2.874 N/A ASN 259.A ND2 SER 249.A O no hydrogen 3.002 N/A ARG 261.A N PHE 258.A O no hydrogen 3.001 N/A ASP 262.A N PHE 258.A O no hydrogen 2.843 N/A ASN 263.A N GLN 272.A OE1 no hydrogen 3.064 N/A ASN 263.A ND2 GLN 272.A O no hydrogen 2.926 N/A CYS 264.A N ASP 262.A OD1 no hydrogen 3.111 N/A CYS 264.A SG ASN 263.A O no hydrogen 3.359 N/A CYS 264.A SG GLY 281.A O no hydrogen 3.203 N/A VAL 267.A N CYS 264.A O no hydrogen 2.956 N/A ASN 269.A N ASP 255.A OD2 no hydrogen 2.940 N/A ASN 269.A ND2 ASN 263.A OD1 no hydrogen 2.924 N/A GLN 272.A N ASN 269.A O no hydrogen 2.822 N/A GLN 272.A NE2 ASP 262.A OD1 no hydrogen 2.772 N/A GLN 272.A NE2 ASN 269.A O no hydrogen 3.096 N/A ARG 273.A N ASP 271.A OD2 no hydrogen 3.352 N/A THR 275.A N ASP 282.A OD1 no hydrogen 3.093 N/A THR 275.A OG1 ASP 282.A OD1 no hydrogen 3.442 N/A THR 275.A OG1 ASP 282.A OD2 no hydrogen 2.567 N/A GLY 277.A N ASP 274.A O no hydrogen 2.951 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 3.293 N/A GLY 279.A N ASP 274.A OD2 no hydrogen 2.739 N/A VAL 280.A N ASP 278.A OD1 no hydrogen 3.042 N/A GLY 281.A N ASN 263.A O no hydrogen 2.787 N/A ASP 282.A N ARG 273.A O no hydrogen 2.939 N/A CYS 284.A N GLY 281.A O no hydrogen 2.820 N/A CYS 284.A SG ASN 263.A O no hydrogen 3.432 N/A CYS 284.A SG GLY 281.A O no hydrogen 3.344 N/A ASP 285.A N ASP 282.A O no hydrogen 3.029 N/A ASN 286.A N GLN 295.A OE1 no hydrogen 2.870 N/A ASN 286.A ND2 GLN 295.A O no hydrogen 2.902 N/A CYS 287.A N ASP 285.A OD1 no hydrogen 2.862 N/A CYS 287.A SG ASN 286.A O no hydrogen 3.519 N/A CYS 287.A SG GLY 304.A O no hydrogen 3.339 N/A VAL 290.A N CYS 287.A O no hydrogen 3.105 N/A ASN 292.A N ASP 278.A OD2 no hydrogen 2.948 N/A ASN 292.A ND2 ASN 286.A OD1 no hydrogen 3.048 N/A GLN 295.A N ASN 292.A O no hydrogen 3.083 N/A GLN 295.A NE2 ASP 285.A OD1 no hydrogen 3.175 N/A GLN 295.A NE2 ASN 292.A O no hydrogen 3.059 N/A THR 296.A OG1 ASP 305.A OD2 no hydrogen 2.871 N/A VAL 298.A N ASP 305.A OD1 no hydrogen 2.973 N/A ASN 300.A ND2 SER 482.A OG no hydrogen 2.776 N/A LEU 302.A N ASP 297.A OD2 no hydrogen 2.675 N/A VAL 303.A N ASP 301.A OD1 no hydrogen 2.996 N/A GLY 304.A N ASN 286.A O no hydrogen 2.962 N/A ASP 305.A N THR 296.A O no hydrogen 2.996 N/A CYS 307.A N GLY 304.A O no hydrogen 3.084 N/A CYS 307.A SG ASN 286.A O no hydrogen 4.035 N/A ASP 308.A N ASP 305.A O no hydrogen 3.341 N/A ASN 309.A N GLN 319.A OE1 no hydrogen 3.225 N/A ASN 310.A N ASP 308.A OD1 no hydrogen 3.286 N/A GLU 311.A N ASN 309.A OD1 no hydrogen 2.783 N/A ILE 313.A N ASN 320.A OD1 no hydrogen 3.062 N/A ASP 315.A N ASP 312.A O no hydrogen 3.112 N/A GLY 317.A N ASP 312.A OD2 no hydrogen 2.816 N/A HIS 318.A N ASP 316.A OD1 no hydrogen 3.149 N/A HIS 318.A NE2 ALA 331.A O no hydrogen 2.819 N/A GLN 319.A NE2 CYS 307.A O no hydrogen 3.104 N/A GLN 319.A NE2 ASN 321.A OD1 no hydrogen 2.744 N/A ASN 320.A N GLU 311.A O no hydrogen 2.750 N/A GLN 322.A N GLN 319.A O no hydrogen 2.882 N/A ASN 324.A N GLN 333.A OE1 no hydrogen 2.925 N/A ASN 324.A ND2 GLN 333.A O no hydrogen 2.766 N/A CYS 325.A N ASP 323.A OD1 no hydrogen 3.009 N/A CYS 325.A SG GLY 342.A O no hydrogen 3.428 N/A ILE 328.A N CYS 325.A O no hydrogen 3.308 N/A SER 329.A OG ASP 314.A O no hydrogen 2.961 N/A ASN 330.A N ASP 316.A OD2 no hydrogen 2.847 N/A ASN 330.A ND2 ASN 324.A OD1 no hydrogen 2.855 N/A GLN 333.A N ASN 330.A O no hydrogen 2.746 N/A GLN 333.A NE2 ASP 323.A OD1 no hydrogen 3.143 N/A GLN 333.A NE2 ASN 330.A O no hydrogen 2.702 N/A GLN 333.A NE2 ASN 330.A OD1 no hydrogen 2.702 N/A HIS 336.A N ASP 343.A OD1 no hydrogen 3.053 N/A HIS 336.A ND1 ASP 343.A OD2 no hydrogen 2.606 N/A ARG 338.A N ASP 335.A O no hydrogen 2.826 N/A ASP 339.A N ASP 337.A OD1 no hydrogen 3.134 N/A GLY 340.A N ASP 335.A OD2 no hydrogen 2.766 N/A GLN 341.A N ASP 339.A OD1 no hydrogen 3.065 N/A GLY 342.A N ASN 324.A O no hydrogen 3.490 N/A ASP 343.A N ALA 334.A O no hydrogen 2.803 N/A CYS 345.A N GLY 342.A O no hydrogen 2.877 N/A CYS 345.A SG ASN 324.A O no hydrogen 3.579 N/A CYS 345.A SG GLY 342.A O no hydrogen 3.646 N/A ASP 346.A N GLY 342.A O no hydrogen 2.920 N/A ASP 346.A N ASP 343.A O no hydrogen 3.335 N/A ASP 348.A N ASP 346.A OD1 no hydrogen 2.660 N/A ASP 349.A N ASP 356.A OD1 no hydrogen 2.896 N/A ASN 351.A N ASP 348.A O no hydrogen 3.210 N/A ASN 351.A ND2 ASP 339.A OD2 no hydrogen 3.029 N/A GLY 353.A N ASP 348.A OD2 no hydrogen 2.995 N/A ASP 356.A N PRO 347.A O no hydrogen 2.927 N/A ARG 358.A N PRO 355.A O no hydrogen 2.935 N/A ASP 359.A N ASP 356.A O no hydrogen 3.199 N/A ASN 360.A N GLN 369.A OE1 no hydrogen 2.789 N/A CYS 361.A N ASP 359.A OD1 no hydrogen 3.049 N/A CYS 361.A SG ASN 360.A O no hydrogen 3.367 N/A CYS 361.A SG GLY 378.A O no hydrogen 3.112 N/A ARG 362.A NH1 GLU 399.A OE1 no hydrogen 3.270 N/A ARG 362.A NH2 GLU 399.A OE1 no hydrogen 2.484 N/A VAL 364.A N CYS 361.A O no hydrogen 3.264 N/A ASN 366.A N ASP 352.A OD2 no hydrogen 2.845 N/A GLN 369.A N ASN 366.A O no hydrogen 2.814 N/A GLN 369.A NE2 ASP 359.A OD1 no hydrogen 2.638 N/A GLN 369.A NE2 ASN 366.A O no hydrogen 3.051 N/A GLU 370.A N GLU 370.A OE1 no hydrogen 2.938 N/A LEU 372.A N ASP 379.A OD1 no hydrogen 3.291 N/A LEU 372.A N ASP 379.A OD2 no hydrogen 2.667 N/A GLY 374.A N ASP 371.A O no hydrogen 3.283 N/A ASP 375.A N ASP 371.A OD1 no hydrogen 3.098 N/A GLY 376.A N ASP 371.A OD2 no hydrogen 2.579 N/A ARG 377.A N ASP 375.A OD1 no hydrogen 3.293 N/A ARG 377.A NE PHE 121.A O no hydrogen 3.076 N/A ARG 377.A NH1 CYS 381.A O no hydrogen 2.383 N/A ARG 377.A NH2 PHE 121.A O no hydrogen 3.111 N/A ARG 377.A NH2 ASP 392.A OD2 no hydrogen 2.333 N/A GLY 378.A N ASN 360.A O no hydrogen 3.105 N/A ASP 379.A N GLU 370.A O no hydrogen 2.663 N/A CYS 381.A N GLY 378.A O no hydrogen 3.271 N/A CYS 381.A SG ASN 360.A O no hydrogen 3.982 N/A CYS 381.A SG GLY 378.A O no hydrogen 3.727 N/A PHE 385.A N ASP 392.A OD1 no hydrogen 3.116 N/A ASN 387.A N ASP 384.A O no hydrogen 2.720 N/A ASP 388.A N ASP 384.A OD1 no hydrogen 3.328 N/A ASN 389.A N ASP 384.A OD2 no hydrogen 2.627 N/A ILE 390.A N ASP 388.A OD1 no hydrogen 3.248 N/A ASP 392.A N ASP 383.A O no hydrogen 2.768 N/A ASP 394.A N PRO 391.A O no hydrogen 3.012 N/A ASP 395.A N ASP 392.A O no hydrogen 2.899 N/A VAL 396.A N SER 404.A O no hydrogen 2.960 N/A CYS 397.A N ASP 395.A OD1 no hydrogen 2.828 N/A ASN 400.A N ASP 386.A OD2 no hydrogen 3.060 N/A ASN 400.A N CYS 397.A O no hydrogen 3.195 N/A ASN 401.A N HIS 336.A NE2 no hydrogen 2.935 N/A ALA 402.A N ASN 400.A OD1 no hydrogen 2.848 N/A ILE 403.A N ASN 400.A O no hydrogen 3.352 N/A SER 404.A OG ASP 395.A OD1 no hydrogen 3.193 N/A SER 404.A OG ASP 395.A OD2 no hydrogen 3.104 N/A ASP 407.A N TYR 612.A OH no hydrogen 2.929 N/A PHE 408.A N GLY 433.A O no hydrogen 2.813 N/A ARG 409.A N ASP 407.A OD1 no hydrogen 2.607 N/A ARG 409.A NE ASP 407.A OD1 no hydrogen 3.444 N/A ARG 409.A NE ASP 407.A OD2 no hydrogen 3.055 N/A ARG 409.A NH2 ASP 407.A OD2 no hydrogen 2.690 N/A GLN 412.A N VAL 448.A O no hydrogen 2.905 N/A GLN 412.A NE2 ASN 300.A O no hydrogen 3.240 N/A LEU 415.A N PRO 444.A O no hydrogen 3.074 N/A LYS 418.A N GLN 422.A OE1 no hydrogen 2.849 N/A LYS 418.A NZ ASP 416.A OD2 no hydrogen 3.463 N/A THR 420.A OG1 GLY 419.A O no hydrogen 2.702 N/A VAL 428.A N VAL 437.A O no hydrogen 2.894 N/A ARG 430.A N GLU 435.A O no hydrogen 2.828 N/A ARG 430.A NE GLU 435.A OE1 no hydrogen 2.749 N/A ARG 430.A NH2 GLU 435.A OE1 no hydrogen 3.032 N/A HIS 431.A N GLU 178.A OE2 no hydrogen 2.787 N/A HIS 431.A ND1 SER 175.A OG no hydrogen 2.834 N/A GLY 433.A N ARG 430.A O no hydrogen 3.032 N/A LYS 434.A N HIS 431.A O no hydrogen 3.088 N/A LEU 436.A N PHE 607.A O no hydrogen 3.088 N/A VAL 437.A N VAL 428.A O no hydrogen 2.925 N/A GLN 438.A N VAL 605.A O no hydrogen 2.819 N/A GLN 438.A NE2 ASN 426.A O no hydrogen 3.255 N/A THR 439.A N ASN 426.A O no hydrogen 2.952 N/A SER 442.A OG ASP 443.A O no hydrogen 2.732 N/A ASP 443.A N ILE 423.A O no hydrogen 2.874 N/A GLY 445.A N VAL 600.A O no hydrogen 3.042 N/A ILE 446.A N VAL 413.A O no hydrogen 2.878 N/A ALA 447.A N LEU 598.A O no hydrogen 2.901 N/A VAL 448.A N GLN 412.A O no hydrogen 2.949 N/A GLY 449.A N LEU 596.A O no hydrogen 2.933 N/A PHE 453.A N GLY 594.A O no hydrogen 2.919 N/A SER 455.A N ASP 616.A OD2 no hydrogen 3.292 N/A SER 455.A OG ASP 616.A OD1 no hydrogen 3.174 N/A VAL 456.A N HIS 563.A O no hydrogen 2.918 N/A ASP 457.A N GLU 613.A O no hydrogen 2.943 N/A PHE 458.A N LEU 561.A O no hydrogen 2.925 N/A SER 459.A N LYS 611.A O no hydrogen 2.889 N/A GLY 460.A N TRP 559.A O no hydrogen 3.316 N/A THR 461.A N SER 608.A O no hydrogen 2.607 N/A THR 461.A OG1 LEU 146.A O no hydrogen 2.492 N/A PHE 462.A N TYR 557.A O no hydrogen 2.767 N/A TYR 463.A N TYR 606.A O no hydrogen 3.078 N/A ASN 465.A ND2 TYR 606.A OH no hydrogen 3.139 N/A ARG 468.A N THR 466.A OG1 no hydrogen 3.332 N/A ASP 470.A N ASP 469.A OD2 no hydrogen 3.023 N/A ASP 471.A N GLN 603.A OE1 no hydrogen 2.769 N/A TYR 472.A N PHE 601.A O no hydrogen 3.134 N/A TYR 472.A OH TRP 530.A O no hydrogen 2.756 N/A ALA 473.A N TRP 489.A O no hydrogen 3.266 N/A GLY 474.A N PHE 599.A O no hydrogen 2.867 N/A PHE 475.A N VAL 488.A O no hydrogen 2.740 N/A VAL 476.A N GLY 597.A O no hydrogen 2.775 N/A PHE 477.A N TYR 486.A O no hydrogen 2.896 N/A TYR 479.A N ARG 595.A O no hydrogen 2.718 N/A TYR 479.A OH ASN 300.A O no hydrogen 2.693 N/A GLN 480.A N ARG 484.A O no hydrogen 2.740 N/A GLN 480.A NE2 ASP 315.A O no hydrogen 2.651 N/A GLN 480.A NE2 GLY 593.A O no hydrogen 2.956 N/A SER 481.A N ARG 484.A O no hydrogen 3.164 N/A SER 482.A N ASP 299.A O no hydrogen 2.716 N/A SER 483.A N SER 481.A OG no hydrogen 3.030 N/A ARG 484.A N SER 481.A O no hydrogen 2.691 N/A ARG 484.A NE GLN 480.A OE1 no hydrogen 2.923 N/A ARG 484.A NH2 ASP 315.A OD1 no hydrogen 3.235 N/A ARG 484.A NH2 GLN 480.A OE1 no hydrogen 2.920 N/A TYR 486.A N PHE 477.A O no hydrogen 2.906 N/A TYR 486.A OH ASP 588.A OD1 no hydrogen 2.644 N/A VAL 487.A N LYS 513.A O no hydrogen 2.737 N/A VAL 488.A N PHE 475.A O no hydrogen 2.779 N/A TRP 489.A NE1 ILE 549.A O no hydrogen 3.045 N/A LYS 490.A NZ ASP 470.A O no hydrogen 3.170 N/A LYS 490.A NZ ASP 470.A OD1 no hydrogen 3.396 N/A LYS 490.A NZ ASP 471.A OD1 no hydrogen 2.997 N/A LYS 490.A NZ VAL 492.A O no hydrogen 2.624 N/A LYS 490.A NZ GLN 494.A OE1 no hydrogen 3.027 N/A GLN 491.A NE2 TRP 551.A O no hydrogen 2.738 N/A GLN 491.A NE2 ASP 553.A OD1 no hydrogen 3.011 N/A VAL 492.A N ASP 470.A O no hydrogen 3.389 N/A THR 493.A OG1 SER 508.A OG no hydrogen 3.335 N/A GLN 494.A N GLY 506.A O no hydrogen 2.878 N/A THR 495.A OG1 TYR 496.A O no hydrogen 3.517 N/A TYR 496.A N ALA 504.A O no hydrogen 2.893 N/A TYR 505.A N HIS 531.A ND1 no hydrogen 3.123 N/A GLY 506.A N GLN 494.A O no hydrogen 3.115 N/A TYR 507.A N THR 532.A OG1 no hydrogen 2.777 N/A SER 508.A N THR 493.A OG1 no hydrogen 2.918 N/A SER 508.A OG THR 493.A OG1 no hydrogen 3.335 N/A SER 508.A OG ASN 548.A O no hydrogen 2.644 N/A GLY 509.A N LYS 490.A O no hydrogen 3.222 N/A SER 511.A OG HIS 544.A ND1 no hydrogen 2.530 N/A LEU 512.A N TRP 543.A O no hydrogen 2.739 N/A LYS 513.A N VAL 487.A O no hydrogen 2.851 N/A LYS 513.A NZ LEU 529.A O no hydrogen 3.040 N/A VAL 514.A N ARG 540.A O no hydrogen 2.840 N/A VAL 515.A N PHE 485.A O no hydrogen 2.822 N/A ASN 516.A N GLN 538.A O no hydrogen 2.777 N/A SER 517.A N SER 483.A O no hydrogen 3.251 N/A SER 517.A OG THR 519.A OG1 no hydrogen 3.239 N/A THR 518.A N GLY 537.A O no hydrogen 2.776 N/A THR 518.A OG1 GLY 537.A O no hydrogen 3.100 N/A THR 519.A N SER 517.A OG no hydrogen 3.159 N/A THR 519.A OG1 SER 517.A OG no hydrogen 3.239 N/A THR 519.A OG1 GLY 520.A O no hydrogen 3.385 N/A GLY 520.A N SER 517.A OG no hydrogen 2.668 N/A GLY 522.A N LEU 415.A O no hydrogen 2.995 N/A ARG 526.A N GLY 522.A O no hydrogen 2.889 N/A ARG 526.A NE ASN 527.A OD1 no hydrogen 2.984 N/A ARG 526.A NH1 ASP 416.A OD1 no hydrogen 3.379 N/A ARG 526.A NH1 ASP 416.A OD2 no hydrogen 2.884 N/A ARG 526.A NH2 GLN 500.A O no hydrogen 3.326 N/A ARG 526.A NH2 ASN 527.A OD1 no hydrogen 3.157 N/A ASN 527.A N GLU 523.A O no hydrogen 3.047 N/A ASN 527.A ND2 GLU 498.A O no hydrogen 2.995 N/A ASN 527.A ND2 GLN 500.A O no hydrogen 2.842 N/A ASN 527.A ND2 THR 502.A O no hydrogen 2.637 N/A ALA 528.A N HIS 524.A O no hydrogen 3.219 N/A LEU 529.A N LEU 525.A O no hydrogen 2.832 N/A LEU 529.A N ARG 526.A O no hydrogen 2.981 N/A TRP 530.A N ARG 526.A O no hydrogen 3.273 N/A TRP 530.A NE1 GLN 494.A O no hydrogen 2.949 N/A HIS 531.A N ASN 527.A O no hydrogen 2.939 N/A THR 532.A N TYR 505.A O no hydrogen 3.012 N/A THR 532.A OG1 TYR 505.A O no hydrogen 3.465 N/A GLY 533.A N THR 541.A OG1 no hydrogen 3.158 N/A THR 535.A N VAL 539.A O no hydrogen 2.683 N/A GLN 538.A N THR 535.A O no hydrogen 2.915 N/A GLN 538.A NE2 THR 519.A OG1 no hydrogen 2.977 N/A VAL 539.A N THR 535.A O no hydrogen 3.075 N/A ARG 540.A N VAL 514.A O no hydrogen 2.965 N/A ARG 540.A NH1 ASP 588.A OD2 no hydrogen 2.973 N/A THR 541.A N ASN 534.A OD1 no hydrogen 2.963 N/A THR 541.A OG1 GLY 533.A O no hydrogen 2.855 N/A LEU 542.A N LEU 512.A O no hydrogen 2.824 N/A TRP 543.A N LEU 512.A O no hydrogen 3.281 N/A HIS 544.A ND1 SER 511.A OG no hydrogen 2.530 N/A HIS 544.A NE2 ASN 548.A OD1 no hydrogen 2.761 N/A ASP 545.A N VAL 510.A O no hydrogen 3.070 N/A ARG 547.A N ASP 545.A OD1 no hydrogen 3.189 N/A ARG 547.A NE ASP 545.A OD1 no hydrogen 2.875 N/A ARG 547.A NH2 ASP 545.A OD1 no hydrogen 3.258 N/A ASN 548.A N ASP 545.A O no hydrogen 3.005 N/A ILE 549.A N ASP 545.A OD2 no hydrogen 3.250 N/A TRP 551.A NE1 ASP 471.A O no hydrogen 3.107 N/A TRP 551.A NE1 TRP 489.A O no hydrogen 2.923 N/A LYS 552.A N TYR 557.A OH no hydrogen 2.955 N/A LYS 552.A NZ GLU 576.A OE1 no hydrogen 3.236 N/A LYS 552.A NZ GLU 576.A OE2 no hydrogen 2.540 N/A TYR 554.A N VAL 464.A O no hydrogen 2.906 N/A TYR 554.A OH ASP 467.A OD2 no hydrogen 3.173 N/A THR 555.A OG1 ASP 553.A O no hydrogen 2.667 N/A TYR 557.A N PHE 462.A O no hydrogen 2.798 N/A ARG 558.A N HIS 575.A O no hydrogen 2.958 N/A ARG 558.A NH1 THR 461.A OG1 no hydrogen 3.015 N/A ARG 558.A NH1 ASP 609.A O no hydrogen 2.937 N/A ARG 558.A NH2 SER 459.A OG no hydrogen 3.427 N/A ARG 558.A NH2 ASP 609.A O no hydrogen 3.087 N/A TRP 559.A N GLY 460.A O no hydrogen 3.030 N/A HIS 560.A N LEU 573.A O no hydrogen 2.597 N/A LEU 561.A N PHE 458.A O no hydrogen 2.636 N/A THR 562.A N ARG 571.A O no hydrogen 2.778 N/A HIS 563.A N VAL 456.A O no hydrogen 2.844 N/A ARG 564.A N TYR 569.A O no hydrogen 2.778 N/A ARG 564.A NH1 VAL 456.A O no hydrogen 2.890 N/A ARG 564.A NH1 ASP 457.A OD1 no hydrogen 2.915 N/A ARG 564.A NH1 HIS 563.A O no hydrogen 2.963 N/A ARG 564.A NH2 ASP 457.A OD1 no hydrogen 2.824 N/A ARG 564.A NH2 ASP 457.A OD2 no hydrogen 3.403 N/A THR 567.A N ARG 564.A O no hydrogen 3.062 N/A THR 567.A OG1 ARG 564.A O no hydrogen 3.221 N/A GLY 568.A N ARG 564.A O no hydrogen 2.754 N/A TYR 569.A N ARG 564.A O no hydrogen 3.162 N/A TYR 569.A N THR 567.A OG1 no hydrogen 3.284 N/A ILE 570.A N ILE 586.A O no hydrogen 2.828 N/A ARG 571.A N THR 562.A O no hydrogen 2.871 N/A ARG 571.A NE ASP 582.A OD1 no hydrogen 2.806 N/A ARG 571.A NE ASP 582.A OD2 no hydrogen 3.275 N/A ARG 571.A NH2 ASP 582.A OD2 no hydrogen 2.767 N/A VAL 572.A N SER 583.A OG no hydrogen 2.959 N/A LEU 573.A N HIS 560.A O no hydrogen 2.889 N/A VAL 574.A N ALA 581.A O no hydrogen 2.933 N/A HIS 575.A N ARG 558.A O no hydrogen 2.645 N/A GLU 576.A N GLN 579.A O no hydrogen 2.949 N/A LYS 578.A NZ GLU 142.A OE1 no hydrogen 3.106 N/A LYS 578.A NZ GLU 142.A OE2 no hydrogen 2.731 N/A GLN 579.A N GLU 576.A O no hydrogen 3.065 N/A SER 583.A N VAL 572.A O no hydrogen 3.101 N/A SER 583.A OG GLY 584.A O no hydrogen 2.712 N/A GLY 584.A N ASP 582.A OD1 no hydrogen 2.775 N/A ILE 586.A N ILE 570.A O no hydrogen 2.814 N/A ASP 588.A N GLY 568.A O no hydrogen 2.855 N/A GLN 589.A NE2 PRO 565.A O no hydrogen 3.676 N/A THR 590.A N ASP 588.A OD1 no hydrogen 3.139 N/A THR 590.A OG1 ASP 588.A OD1 no hydrogen 2.472 N/A THR 590.A OG1 ASP 588.A OD2 no hydrogen 3.483 N/A TYR 591.A N TYR 486.A OH no hydrogen 3.289 N/A TYR 591.A OH VAL 515.A O no hydrogen 2.599 N/A ALA 592.A N ASP 315.A O no hydrogen 2.961 N/A GLY 594.A N PHE 453.A O no hydrogen 2.857 N/A ARG 595.A N TYR 479.A O no hydrogen 2.862 N/A ARG 595.A NH1 GLY 449.A O no hydrogen 2.569 N/A ARG 595.A NH2 GLN 412.A OE1 no hydrogen 2.366 N/A GLY 597.A N VAL 476.A O no hydrogen 3.109 N/A LEU 598.A N ALA 447.A O no hydrogen 2.752 N/A PHE 599.A N GLY 474.A O no hydrogen 2.862 N/A VAL 600.A N GLY 445.A O no hydrogen 3.126 N/A PHE 601.A N TYR 472.A O no hydrogen 3.117 N/A SER 602.A OG ASN 441.A OD1 no hydrogen 2.895 N/A SER 602.A OG ASP 471.A OD2 no hydrogen 3.306 N/A GLN 603.A NE2 ARG 468.A O no hydrogen 3.090 N/A GLN 603.A NE2 GLU 604.A O no hydrogen 3.170 N/A TYR 606.A N TYR 463.A O no hydrogen 2.704 N/A PHE 607.A N LEU 436.A O no hydrogen 2.727 N/A SER 608.A N THR 461.A O no hydrogen 2.638 N/A SER 608.A OG SER 175.A OG no hydrogen 3.001 N/A SER 608.A OG GLU 435.A OE2 no hydrogen 2.453 N/A ASP 609.A N SER 175.A OG no hydrogen 3.032 N/A LEU 610.A N LYS 434.A O no hydrogen 2.845 N/A LYS 611.A N SER 459.A O no hydrogen 2.994 N/A LYS 611.A NZ ASP 609.A OD2 no hydrogen 3.371 N/A TYR 612.A N THR 406.A OG1 no hydrogen 2.765 N/A TYR 612.A OH ASP 407.A O no hydrogen 3.275 N/A TYR 612.A OH ASP 451.A OD2 no hydrogen 2.420 N/A GLU 613.A N ASP 457.A O no hydrogen 2.820 N/A CYS 614.A N VAL 396.A O no hydrogen 2.841 N/A