Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kyy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N THR 1.A O no hydrogen 3.275 N/A ILE 6.A N TYR 2.A O no hydrogen 3.003 N/A GLN 7.A N LEU 3.A O no hydrogen 3.130 N/A GLN 8.A N GLU 4.A O no hydrogen 3.062 N/A GLN 8.A N PHE 5.A O no hydrogen 3.062 N/A ASN 9.A N PHE 5.A O no hydrogen 2.940 N/A ASN 9.A ND2 PHE 5.A O no hydrogen 3.349 N/A GLU 10.A N ILE 6.A O no hydrogen 2.949 N/A GLU 11.A N GLN 7.A O no hydrogen 3.462 N/A ARG 12.A N GLN 8.A O no hydrogen 3.070 N/A ASP 13.A N ASN 9.A O no hydrogen 3.114 N/A GLY 14.A N GLU 10.A O no hydrogen 2.740 N/A ARG 16.A N LEU 39.A O no hydrogen 2.859 N/A ARG 16.A NE ASP 490.A OD2 no hydrogen 3.347 N/A ARG 16.A NH2 ASP 490.A OD1 no hydrogen 2.415 N/A ARG 16.A NH2 ASP 490.A OD2 no hydrogen 2.955 N/A ARG 16.A NH2 GLU 492.A OE1 no hydrogen 3.506 N/A SER 18.A N ALA 37.A O no hydrogen 2.863 N/A SER 18.A OG PRO 35.A O no hydrogen 2.534 N/A SER 18.A OG ALA 37.A O no hydrogen 3.145 N/A TRP 19.A NE1 VAL 34.A O no hydrogen 2.788 N/A ASN 20.A N SER 488.A O no hydrogen 3.379 N/A ASN 20.A ND2 SER 488.A O no hydrogen 3.275 N/A VAL 21.A N SER 488.A OG no hydrogen 2.930 N/A TRP 22.A N ASN 474.A O no hydrogen 2.851 N/A TRP 22.A NE1 TRP 19.A O no hydrogen 2.834 N/A SER 24.A N ALA 476.A O no hydrogen 3.131 N/A SER 24.A OG ALA 476.A O no hydrogen 2.822 N/A SER 25.A OG GLU 28.A OE1 no hydrogen 2.775 N/A ARG 26.A NH2 ASN 418.A OD1 no hydrogen 3.164 N/A ALA 29.A N SER 25.A O no hydrogen 3.364 N/A THR 30.A N ARG 26.A O no hydrogen 3.244 N/A THR 30.A OG1 ARG 26.A O no hydrogen 3.199 N/A ARG 31.A N LEU 27.A O no hydrogen 3.226 N/A MET 32.A N ALA 29.A O no hydrogen 3.047 N/A VAL 34.A N MET 32.A O no hydrogen 2.804 N/A ALA 37.A N SER 18.A OG no hydrogen 2.766 N/A ALA 38.A N ILE 441.A O no hydrogen 2.680 N/A LEU 39.A N ARG 16.A O no hydrogen 2.793 N/A PHE 40.A N LEU 439.A O no hydrogen 2.870 N/A THR 41.A N GLY 14.A O no hydrogen 2.812 N/A THR 41.A OG1 THR 438.A OG1 no hydrogen 2.842 N/A LYS 44.A NZ GLU 10.A OE2 no hydrogen 3.518 N/A ARG 46.A NE ARG 12.A O no hydrogen 3.418 N/A ILE 52.A N GLU 116.A O no hydrogen 3.310 N/A TYR 54.A N ILE 52.A O no hydrogen 3.032 N/A TYR 54.A OH TYR 96.A OH no hydrogen 3.075 N/A CYS 59.A N ALA 66.A O no hydrogen 2.792 N/A SER 60.A N ASN 90.A OD1 no hydrogen 3.110 N/A SER 60.A OG ASN 90.A OD1 no hydrogen 2.918 N/A ARG 61.A NE GLN 88.A OE1 no hydrogen 2.926 N/A ARG 61.A NH2 GLN 88.A OE1 no hydrogen 3.302 N/A CYS 64.A N ARG 61.A O no hydrogen 3.329 N/A ARG 65.A N ARG 61.A O no hydrogen 3.023 N/A ARG 65.A NH1 CYS 59.A O no hydrogen 3.203 N/A VAL 67.A N GLN 452.A OE1 no hydrogen 2.841 N/A LEU 68.A N VAL 57.A O no hydrogen 2.979 N/A ASN 69.A ND2 VAL 67.A O no hydrogen 2.757 N/A ASN 69.A ND2 ASN 84.A OD1 no hydrogen 3.450 N/A CYS 72.A N ASN 69.A O no hydrogen 3.338 N/A CYS 72.A SG ALA 82.A O no hydrogen 3.712 N/A CYS 72.A SG ASN 84.A OD1 no hydrogen 3.569 N/A ASP 75.A N LEU 80.A O no hydrogen 2.568 N/A LYS 79.A N TYR 76.A O no hydrogen 3.145 N/A LEU 80.A N ASP 75.A O no hydrogen 3.006 N/A TRP 81.A N ASN 90.A O no hydrogen 3.044 N/A ALA 82.A N GLN 73.A O no hydrogen 3.418 N/A CYS 83.A N GLN 88.A O no hydrogen 2.617 N/A GLN 88.A NE2 ARG 89.A O no hydrogen 3.620 N/A ASN 90.A N TRP 81.A O no hydrogen 2.555 N/A TYR 96.A N PRO 93.A O no hydrogen 3.201 N/A TYR 96.A OH GLU 107.A OE2 no hydrogen 3.380 N/A ALA 97.A N PRO 94.A O no hydrogen 2.928 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.451 N/A LEU 108.A N PRO 105.A O no hydrogen 3.196 N/A LEU 109.A N ALA 106.A O no hydrogen 2.619 N/A PHE 112.A N LEU 109.A O no hydrogen 2.630 N/A ILE 115.A N VAL 468.A O no hydrogen 2.835 N/A TYR 117.A N ILE 466.A O no hydrogen 2.532 N/A VAL 118.A N ILE 52.A O no hydrogen 3.182 N/A PHE 129.A N LEU 161.A O no hydrogen 2.657 N/A TYR 131.A N GLY 163.A O no hydrogen 3.002 N/A TYR 131.A OH SER 152.A OG no hydrogen 2.952 N/A VAL 132.A N MET 269.A O no hydrogen 2.831 N/A VAL 133.A N ILE 165.A O no hydrogen 2.776 N/A ASP 134.A N PHE 271.A O no hydrogen 3.071 N/A THR 135.A N PHE 167.A O no hydrogen 3.105 N/A THR 135.A OG1 PHE 167.A O no hydrogen 2.697 N/A CYS 136.A N ASP 134.A OD1 no hydrogen 2.872 N/A CYS 136.A SG ASP 134.A OD1 no hydrogen 3.839 N/A CYS 136.A SG ASP 232.A OD2 no hydrogen 3.786 N/A LEU 142.A N GLU 138.A O no hydrogen 2.969 N/A GLN 143.A N ASP 139.A O no hydrogen 3.103 N/A ALA 144.A N GLU 140.A O no hydrogen 3.297 N/A LEU 145.A N ASP 141.A O no hydrogen 3.022 N/A LYS 146.A N LEU 142.A O no hydrogen 2.942 N/A LYS 146.A NZ GLN 143.A OE1 no hydrogen 2.743 N/A LYS 146.A NZ LEU 229.A O no hydrogen 3.055 N/A GLU 147.A N GLN 143.A O no hydrogen 2.935 N/A SER 148.A N ALA 144.A O no hydrogen 3.105 N/A SER 148.A OG ALA 144.A O no hydrogen 3.309 N/A MET 149.A N LEU 145.A O no hydrogen 2.983 N/A MET 149.A N LYS 146.A O no hydrogen 3.117 N/A GLN 150.A N LYS 146.A O no hydrogen 3.042 N/A GLN 150.A NE2 THR 223.A O no hydrogen 3.058 N/A MET 151.A N GLU 147.A O no hydrogen 3.444 N/A SER 152.A OG TYR 131.A OH no hydrogen 2.952 N/A SER 152.A OG SER 148.A O no hydrogen 3.414 N/A SER 152.A OG MET 149.A O no hydrogen 2.564 N/A LEU 153.A N MET 149.A O no hydrogen 3.026 N/A SER 154.A N GLN 150.A O no hydrogen 3.332 N/A SER 154.A OG MET 151.A O no hydrogen 2.496 N/A LEU 155.A N MET 151.A O no hydrogen 3.058 N/A LEU 155.A N SER 152.A O no hydrogen 3.207 N/A LEU 156.A N LEU 153.A O no hydrogen 3.479 N/A ALA 160.A N PRO 157.A O no hydrogen 2.872 N/A LEU 161.A N LEU 127.A O no hydrogen 2.675 N/A VAL 162.A N GLN 213.A O no hydrogen 3.461 N/A GLY 163.A N PHE 129.A O no hydrogen 3.232 N/A ILE 165.A N TYR 131.A O no hydrogen 2.880 N/A THR 166.A N GLN 172.A O no hydrogen 2.739 N/A THR 166.A OG1 HIS 174.A NE2 no hydrogen 2.573 N/A PHE 167.A N VAL 133.A O no hydrogen 2.934 N/A GLY 168.A N MET 170.A O no hydrogen 2.924 N/A ARG 169.A N ASP 232.A OD2 no hydrogen 3.032 N/A VAL 171.A N PHE 187.A O no hydrogen 3.200 N/A GLN 172.A N THR 166.A O no hydrogen 2.500 N/A VAL 173.A N TYR 185.A O no hydrogen 2.976 N/A HIS 174.A N LEU 164.A O no hydrogen 3.156 N/A HIS 174.A NE2 THR 166.A OG1 no hydrogen 2.573 N/A GLU 175.A N LYS 183.A O no hydrogen 2.928 N/A LEU 176.A N ARG 210.A O no hydrogen 2.992 N/A CYS 178.A SG GLU 175.A OE2 no hydrogen 3.269 N/A CYS 178.A SG ILE 181.A O no hydrogen 3.923 N/A LYS 183.A NZ TYR 185.A OH no hydrogen 2.259 N/A TYR 185.A N VAL 173.A O no hydrogen 2.895 N/A PHE 187.A N VAL 171.A O no hydrogen 3.006 N/A SER 194.A N GLN 197.A OE1 no hydrogen 2.654 N/A GLN 197.A N SER 194.A OG no hydrogen 3.197 N/A LEU 198.A N SER 194.A O no hydrogen 2.855 N/A GLN 199.A N ALA 195.A O no hydrogen 2.670 N/A GLU 200.A N LYS 196.A O no hydrogen 3.045 N/A MET 201.A N GLN 197.A O no hydrogen 2.964 N/A LEU 202.A N LEU 198.A O no hydrogen 2.999 N/A GLY 203.A N GLU 200.A O no hydrogen 3.131 N/A LEU 204.A N GLN 199.A O no hydrogen 2.755 N/A ASN 209.A N LEU 212.A O no hydrogen 3.299 N/A ARG 210.A NE GLU 175.A OE1 no hydrogen 2.573 N/A ARG 210.A NH1 GLY 203.A O no hydrogen 3.475 N/A ARG 210.A NH2 GLU 175.A OE1 no hydrogen 3.286 N/A ARG 210.A NH2 LEU 202.A O no hydrogen 2.954 N/A GLN 213.A N VAL 162.A O no hydrogen 3.132 N/A GLN 213.A NE2 ASN 209.A O no hydrogen 3.094 N/A VAL 215.A N ALA 160.A O no hydrogen 2.838 N/A GLN 216.A N PRO 158.A O no hydrogen 3.368 N/A LYS 217.A N PRO 214.A O no hydrogen 3.025 N/A LYS 217.A NZ GLN 213.A OE1 no hydrogen 3.006 N/A ILE 218.A N PRO 214.A O no hydrogen 2.927 N/A THR 223.A N ASP 219.A O no hydrogen 3.029 N/A ASP 224.A N MET 220.A O no hydrogen 3.064 N/A LEU 225.A N ASN 221.A O no hydrogen 2.803 N/A LEU 226.A N LEU 222.A O no hydrogen 2.751 N/A GLY 227.A N THR 223.A O no hydrogen 2.826 N/A GLU 228.A N ASP 224.A O no hydrogen 3.048 N/A GLU 228.A N LEU 225.A O no hydrogen 2.923 N/A LEU 229.A N LEU 226.A O no hydrogen 3.050 N/A ASP 232.A N THR 135.A O no hydrogen 2.891 N/A LYS 240.A NZ ASP 286.A OD2 no hydrogen 3.029 N/A ARG 241.A N ASP 286.A O no hydrogen 3.068 N/A ARG 241.A NE GLY 285.A O no hydrogen 3.079 N/A ARG 241.A NH2 GLY 285.A O no hydrogen 2.996 N/A ARG 241.A NH2 THR 290.A O no hydrogen 3.009 N/A ARG 244.A N THR 277.A OG1 no hydrogen 2.845 N/A ARG 244.A NE PRO 275.A O no hydrogen 2.827 N/A ARG 244.A NH1 ASP 134.A OD2 no hydrogen 3.160 N/A SER 245.A N GLY 168.A O no hydrogen 3.195 N/A SER 245.A OG GLY 168.A O no hydrogen 3.035 N/A SER 245.A OG ARG 169.A O no hydrogen 3.483 N/A SER 245.A OG GLY 189.A O no hydrogen 2.915 N/A SER 245.A OG GLN 278.A OE1 no hydrogen 2.639 N/A ALA 249.A N SER 245.A O no hydrogen 3.253 N/A LEU 250.A N SER 246.A O no hydrogen 3.316 N/A SER 251.A N GLY 247.A O no hydrogen 3.279 N/A SER 251.A OG ASP 192.A OD1 no hydrogen 2.911 N/A ILE 252.A N VAL 248.A O no hydrogen 2.887 N/A ALA 253.A N ALA 249.A O no hydrogen 2.927 N/A VAL 254.A N LEU 250.A O no hydrogen 2.746 N/A GLY 255.A N SER 251.A O no hydrogen 3.067 N/A LEU 256.A N ILE 252.A O no hydrogen 2.820 N/A LEU 257.A N ALA 253.A O no hydrogen 3.354 N/A GLU 258.A N VAL 254.A O no hydrogen 2.996 N/A CYS 259.A N GLY 255.A O no hydrogen 3.168 N/A CYS 259.A SG GLY 255.A O no hydrogen 3.470 N/A CYS 259.A SG LEU 256.A O no hydrogen 3.834 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.802 N/A PHE 261.A N LEU 257.A O no hydrogen 3.117 N/A ASN 263.A N THR 323.A O no hydrogen 2.994 N/A ASN 263.A ND2 THR 322.A O no hydrogen 3.541 N/A ARG 267.A N ILE 128.A O no hydrogen 2.956 N/A ARG 267.A NH2 ASP 328.A OD2 no hydrogen 2.306 N/A ILE 268.A N VAL 326.A O no hydrogen 2.554 N/A MET 269.A N LEU 130.A O no hydrogen 2.963 N/A MET 270.A N ASP 328.A O no hydrogen 3.254 N/A PHE 271.A N VAL 132.A O no hydrogen 3.059 N/A ILE 272.A N TYR 330.A O no hydrogen 3.202 N/A GLY 273.A N ASP 134.A OD2 no hydrogen 2.849 N/A THR 277.A N ARG 244.A O no hydrogen 2.903 N/A THR 277.A OG1 PRO 242.A O no hydrogen 2.502 N/A VAL 283.A N ALA 276.A O no hydrogen 2.943 N/A VAL 284.A N ALA 276.A O no hydrogen 3.327 N/A LEU 288.A N GLY 239.A O no hydrogen 3.141 N/A THR 290.A N GLU 287.A O no hydrogen 3.185 N/A ARG 293.A NE GLU 341.A OE1 no hydrogen 2.560 N/A ARG 293.A NE GLU 341.A OE2 no hydrogen 2.488 N/A ARG 293.A NH1 GLU 341.A OE1 no hydrogen 2.738 N/A ARG 293.A NH1 ASP 570.A OD1 no hydrogen 2.270 N/A ARG 293.A NH2 GLN 336.A OE1 no hydrogen 2.389 N/A ASP 297.A N SER 294.A OG no hydrogen 2.707 N/A ILE 298.A N SER 294.A O no hydrogen 2.720 N/A ASP 299.A N TRP 295.A O no hydrogen 2.927 N/A ASP 299.A N HIS 296.A O no hydrogen 2.997 N/A LYS 300.A N HIS 296.A O no hydrogen 2.872 N/A ASN 302.A N ASP 297.A O no hydrogen 2.836 N/A GLY 309.A N TYR 305.A O no hydrogen 3.349 N/A THR 310.A N VAL 306.A O no hydrogen 3.130 N/A THR 310.A OG1 VAL 306.A O no hydrogen 2.971 N/A LYS 311.A N LYS 307.A O no hydrogen 3.303 N/A HIS 312.A N LYS 308.A O no hydrogen 3.288 N/A PHE 313.A N GLY 309.A O no hydrogen 3.450 N/A GLU 314.A N THR 310.A O no hydrogen 2.852 N/A ALA 315.A N HIS 312.A O no hydrogen 2.693 N/A LEU 316.A N HIS 312.A O no hydrogen 3.130 N/A ALA 317.A N PHE 313.A O no hydrogen 2.906 N/A ASN 318.A ND2 GLU 314.A O no hydrogen 2.997 N/A ARG 319.A N ALA 315.A O no hydrogen 2.897 N/A ARG 319.A NE GLU 258.A OE1 no hydrogen 3.317 N/A ARG 319.A NH2 GLU 258.A OE1 no hydrogen 3.262 N/A ALA 320.A N LEU 316.A O no hydrogen 2.507 N/A ALA 321.A N ALA 317.A O no hydrogen 2.721 N/A THR 322.A N ASN 318.A O no hydrogen 3.058 N/A THR 322.A OG1 ASN 318.A O no hydrogen 2.435 N/A THR 323.A OG1 ARG 319.A O no hydrogen 3.379 N/A THR 323.A OG1 ALA 320.A O no hydrogen 3.191 N/A THR 323.A OG1 HIS 325.A ND1 no hydrogen 2.981 N/A GLY 324.A N ALA 321.A O no hydrogen 3.255 N/A HIS 325.A N ALA 320.A O no hydrogen 2.973 N/A HIS 325.A NE2 PHE 261.A O no hydrogen 3.111 N/A VAL 326.A N ALA 266.A O no hydrogen 2.997 N/A ILE 327.A N THR 349.A OG1 no hydrogen 3.163 N/A ASP 328.A N ILE 268.A O no hydrogen 2.625 N/A ILE 329.A N TYR 352.A O no hydrogen 2.908 N/A TYR 330.A N MET 270.A O no hydrogen 2.873 N/A TYR 330.A OH ASP 328.A OD2 no hydrogen 3.333 N/A ALA 331.A N VAL 354.A O no hydrogen 2.779 N/A CYS 332.A N ILE 272.A O no hydrogen 3.346 N/A ALA 333.A N GLY 356.A O no hydrogen 3.185 N/A GLN 336.A N ASP 335.A OD1 no hydrogen 2.535 N/A GLN 336.A NE2 ARG 293.A O no hydrogen 3.202 N/A THR 337.A N ASP 570.A OD2 no hydrogen 2.858 N/A GLY 338.A N ASP 570.A OD2 no hydrogen 3.001 N/A LEU 339.A N ASP 570.A OD2 no hydrogen 3.176 N/A LEU 340.A N ASP 570.A OD1 no hydrogen 2.843 N/A GLU 341.A N GLY 338.A O no hydrogen 3.185 N/A MET 342.A N GLY 338.A O no hydrogen 3.025 N/A LYS 343.A NZ LEU 340.A O no hydrogen 3.361 N/A CYS 344.A SG GLU 314.A OE2 no hydrogen 2.917 N/A CYS 345.A N MET 342.A O no hydrogen 3.334 N/A CYS 345.A SG PHE 313.A O no hydrogen 3.496 N/A ASN 347.A N LYS 343.A O no hydrogen 3.056 N/A LEU 348.A N CYS 344.A O no hydrogen 2.728 N/A THR 349.A OG1 CYS 345.A O no hydrogen 2.514 N/A TYR 352.A N ASP 328.A OD1 no hydrogen 2.828 N/A VAL 354.A N ILE 329.A O no hydrogen 2.889 N/A GLY 356.A N ALA 331.A O no hydrogen 2.925 N/A THR 361.A OG1 SER 358.A O no hydrogen 2.944 N/A PHE 364.A N THR 361.A O no hydrogen 3.260 N/A PHE 364.A N THR 361.A OG1 no hydrogen 3.250 N/A LYS 365.A N THR 361.A O no hydrogen 3.057 N/A LYS 365.A NZ ASN 360.A OD1 no hydrogen 2.951 N/A GLN 366.A N SER 362.A O no hydrogen 2.840 N/A THR 367.A N LEU 363.A O no hydrogen 3.342 N/A THR 367.A OG1 LEU 363.A O no hydrogen 2.421 N/A PHE 368.A N PHE 364.A O no hydrogen 2.679 N/A GLN 369.A N LYS 365.A O no hydrogen 3.087 N/A ARG 370.A N GLN 366.A O no hydrogen 3.049 N/A ARG 370.A NH2 LEU 668.A O no hydrogen 2.550 N/A PHE 372.A N GLN 369.A O no hydrogen 3.137 N/A THR 373.A N ARG 370.A O no hydrogen 2.376 N/A THR 373.A OG1 ARG 370.A O no hydrogen 3.133 N/A ASP 375.A N GLN 379.A O no hydrogen 2.836 N/A GLY 378.A N ASP 375.A O no hydrogen 3.169 N/A GLN 379.A N ASP 375.A OD1 no hydrogen 2.635 N/A GLN 379.A NE2 ASP 375.A OD2 no hydrogen 3.565 N/A LYS 381.A NZ GLU 45.A OE1 no hydrogen 3.043 N/A LYS 381.A NZ GLU 45.A OE2 no hydrogen 2.865 N/A PHE 384.A N GLN 458.A O no hydrogen 3.008 N/A GLY 385.A N CYS 431.A O no hydrogen 2.925 N/A THR 387.A N GLN 456.A O no hydrogen 2.710 N/A LEU 388.A N TRP 428.A O no hydrogen 2.834 N/A GLU 389.A N VAL 454.A O no hydrogen 2.677 N/A ILE 390.A N CYS 426.A O no hydrogen 3.401 N/A LYS 391.A N GLN 452.A O no hydrogen 2.937 N/A LYS 391.A NZ ARG 65.A O no hydrogen 3.231 N/A LYS 391.A NZ GLU 389.A OE1 no hydrogen 3.186 N/A THR 392.A OG1 SER 393.A O no hydrogen 3.023 N/A THR 392.A OG1 ILE 396.A O no hydrogen 2.504 N/A SER 393.A N ALA 450.A O no hydrogen 3.057 N/A SER 393.A OG ALA 450.A O no hydrogen 2.930 N/A GLU 395.A N GLU 395.A OE1 no hydrogen 2.294 N/A ILE 396.A N SER 393.A O no hydrogen 3.171 N/A LYS 397.A N GLU 444.A O no hydrogen 2.989 N/A LYS 397.A NZ PRO 413.A O no hydrogen 3.236 N/A ILE 398.A N CYS 414.A O no hydrogen 2.743 N/A SER 399.A N TYR 442.A O no hydrogen 2.644 N/A SER 399.A OG TYR 442.A O no hydrogen 2.588 N/A ALA 401.A N THR 422.A O no hydrogen 2.829 N/A ILE 402.A N ALA 440.A O no hydrogen 2.832 N/A CYS 405.A SG GLY 403.A O no hydrogen 4.049 N/A VAL 406.A N LYS 429.A O no hydrogen 3.196 N/A LEU 408.A N GLN 427.A O no hydrogen 3.039 N/A ASN 409.A N SER 407.A OG no hydrogen 2.936 N/A SER 410.A OG GLN 427.A OE1 no hydrogen 2.924 N/A LYS 411.A NZ GLY 424.A O no hydrogen 3.244 N/A CYS 414.A SG THR 392.A O no hydrogen 3.769 N/A VAL 415.A N GLY 412.A O no hydrogen 3.207 N/A SER 416.A N ILE 398.A O no hydrogen 2.913 N/A SER 416.A OG ASN 418.A O no hydrogen 3.049 N/A SER 416.A OG GLU 444.A OE1 no hydrogen 3.145 N/A SER 416.A OG GLU 444.A OE2 no hydrogen 3.031 N/A THR 422.A N ALA 401.A O no hydrogen 2.635 N/A THR 425.A OG1 GLN 427.A O no hydrogen 2.878 N/A CYS 426.A N SER 410.A O no hydrogen 3.323 N/A CYS 426.A SG SER 410.A O no hydrogen 3.848 N/A GLN 427.A N THR 425.A OG1 no hydrogen 2.914 N/A TRP 428.A N LEU 388.A O no hydrogen 3.165 N/A TRP 428.A NE1 THR 422.A O no hydrogen 3.207 N/A LYS 429.A N VAL 406.A O no hydrogen 2.804 N/A LYS 429.A NZ ALA 321.A O no hydrogen 3.051 N/A LYS 429.A NZ THR 322.A O no hydrogen 3.266 N/A ILE 430.A N GLY 386.A O no hydrogen 2.870 N/A CYS 431.A SG ALA 321.A O no hydrogen 3.874 N/A CYS 431.A SG HIS 325.A O no hydrogen 3.773 N/A LEU 433.A N GLY 383.A O no hydrogen 2.875 N/A SER 434.A N THR 437.A OG1 no hydrogen 2.750 N/A SER 434.A OG THR 437.A OG1 no hydrogen 2.704 N/A THR 437.A N SER 434.A O no hydrogen 2.750 N/A THR 437.A OG1 SER 434.A O no hydrogen 3.294 N/A THR 437.A OG1 SER 434.A OG no hydrogen 2.704 N/A THR 438.A N ARG 581.A O no hydrogen 2.683 N/A THR 438.A OG1 THR 41.A OG1 no hydrogen 2.842 N/A THR 438.A OG1 THR 436.A O no hydrogen 2.874 N/A LEU 439.A N PHE 40.A O no hydrogen 2.897 N/A ALA 440.A N ILE 402.A O no hydrogen 2.804 N/A ILE 441.A N ALA 38.A O no hydrogen 2.793 N/A TYR 442.A N GLY 400.A O no hydrogen 2.977 N/A TYR 442.A OH LEU 497.A O no hydrogen 2.611 N/A PHE 443.A N VAL 36.A O no hydrogen 2.765 N/A GLY 449.A N ARG 473.A O no hydrogen 3.041 N/A ALA 450.A N SER 393.A OG no hydrogen 2.560 N/A ILE 451.A N ILE 471.A O no hydrogen 3.219 N/A GLN 452.A N LYS 391.A O no hydrogen 2.799 N/A GLN 452.A NE2 VAL 67.A O no hydrogen 3.296 N/A PHE 453.A N THR 469.A O no hydrogen 2.769 N/A VAL 454.A N GLU 389.A O no hydrogen 2.772 N/A THR 455.A N ARG 467.A O no hydrogen 2.712 N/A GLN 456.A N THR 387.A O no hydrogen 3.225 N/A TYR 457.A N ARG 465.A O no hydrogen 2.986 N/A TYR 457.A OH GLU 116.A OE1 no hydrogen 3.246 N/A TYR 457.A OH GLU 116.A OE2 no hydrogen 2.623 N/A GLN 458.A N PHE 384.A O no hydrogen 2.847 N/A HIS 459.A N GLN 463.A O no hydrogen 3.049 N/A HIS 459.A ND1 SER 461.A OG no hydrogen 3.031 N/A SER 460.A OG PHE 380.A O no hydrogen 2.838 N/A SER 461.A N HIS 459.A ND1 no hydrogen 2.964 N/A SER 461.A OG HIS 459.A ND1 no hydrogen 3.031 N/A SER 461.A OG GLN 463.A OE1 no hydrogen 3.520 N/A GLY 462.A N HIS 459.A O no hydrogen 2.572 N/A GLN 463.A N SER 461.A OG no hydrogen 3.212 N/A ARG 465.A N TYR 457.A O no hydrogen 3.176 N/A ARG 465.A NH1 GLU 116.A OE1 no hydrogen 3.216 N/A ARG 465.A NH2 GLN 463.A OE1 no hydrogen 2.525 N/A ILE 466.A N TYR 117.A O no hydrogen 2.979 N/A ARG 467.A N THR 455.A O no hydrogen 2.732 N/A ARG 467.A NE GLU 116.A OE2 no hydrogen 3.040 N/A ARG 467.A NH1 LYS 44.A O no hydrogen 3.511 N/A ARG 467.A NH2 GLU 116.A OE2 no hydrogen 3.441 N/A VAL 468.A N ILE 115.A O no hydrogen 2.786 N/A THR 469.A N PHE 453.A O no hydrogen 2.944 N/A THR 470.A N SER 113.A O no hydrogen 3.218 N/A THR 470.A OG1 SER 113.A O no hydrogen 3.538 N/A ILE 471.A N ILE 451.A O no hydrogen 3.165 N/A ARG 473.A N GLY 449.A O no hydrogen 3.164 N/A ARG 473.A NE ASN 20.A OD1 no hydrogen 2.854 N/A ARG 473.A NH1 ALA 472.A O no hydrogen 2.439 N/A TRP 475.A N GLY 447.A O no hydrogen 3.055 N/A ALA 476.A N TRP 22.A O no hydrogen 3.030 N/A GLN 479.A N ASP 477.A OD1 no hydrogen 3.024 N/A THR 480.A N ASP 477.A O no hydrogen 2.883 N/A GLN 481.A N ASP 477.A O no hydrogen 2.482 N/A GLN 483.A N GLN 483.A OE1 no hydrogen 2.703 N/A ILE 485.A N GLN 481.A O no hydrogen 2.837 N/A ILE 485.A N ILE 482.A O no hydrogen 2.869 N/A ALA 486.A N ILE 482.A O no hydrogen 2.678 N/A ALA 487.A N GLN 483.A O no hydrogen 2.793 N/A SER 488.A N ILE 485.A O no hydrogen 2.910 N/A SER 488.A OG ILE 485.A O no hydrogen 2.499 N/A ASP 490.A N SER 18.A O no hydrogen 3.132 N/A ALA 493.A N ASP 490.A OD1 no hydrogen 3.197 N/A ALA 494.A N ASP 490.A O no hydrogen 2.766 N/A ALA 495.A N GLN 491.A O no hydrogen 3.113 N/A ILE 496.A N GLU 492.A O no hydrogen 3.243 N/A LEU 497.A N ALA 493.A O no hydrogen 2.856 N/A MET 498.A N ALA 494.A O no hydrogen 2.827 N/A ALA 499.A N ALA 495.A O no hydrogen 2.873 N/A ARG 500.A N ILE 496.A O no hydrogen 3.149 N/A ARG 500.A NH1 THR 438.A O no hydrogen 3.297 N/A ARG 500.A NH2 PHE 579.A O no hydrogen 3.098 N/A ARG 500.A NH2 GLN 582.A O no hydrogen 2.514 N/A ALA 502.A N MET 498.A O no hydrogen 2.735 N/A ILE 503.A N ALA 499.A O no hydrogen 2.600 N/A TYR 504.A N ARG 500.A O no hydrogen 2.591 N/A ARG 505.A N LEU 501.A O no hydrogen 3.220 N/A ARG 505.A N ALA 502.A O no hydrogen 3.068 N/A ARG 505.A NH1 GLU 510.A OE2 no hydrogen 2.862 N/A ALA 506.A N ALA 502.A O no hydrogen 3.184 N/A ALA 506.A N ILE 503.A O no hydrogen 2.732 N/A THR 508.A OG1 TYR 504.A O no hydrogen 3.394 N/A TRP 517.A N ASP 513.A O no hydrogen 3.136 N/A LEU 518.A N VAL 514.A O no hydrogen 2.592 N/A ASP 519.A N LEU 515.A O no hydrogen 3.263 N/A ASP 519.A N ARG 516.A O no hydrogen 3.256 N/A ARG 520.A N ARG 516.A O no hydrogen 3.158 N/A ARG 520.A NE GLN 521.A OE1 no hydrogen 3.001 N/A ARG 520.A NH2 GLN 521.A OE1 no hydrogen 2.691 N/A GLN 521.A N TRP 517.A O no hydrogen 3.486 N/A GLN 521.A NE2 VAL 33.A O no hydrogen 3.497 N/A ILE 523.A N ASP 519.A O no hydrogen 2.779 N/A ARG 524.A N ARG 520.A O no hydrogen 2.977 N/A LEU 525.A N GLN 521.A O no hydrogen 2.666 N/A CYS 526.A N LEU 522.A O no hydrogen 3.320 N/A CYS 526.A SG LEU 522.A O no hydrogen 3.059 N/A GLN 527.A N ILE 523.A O no hydrogen 3.009 N/A GLN 527.A NE2 ALA 714.A O no hydrogen 3.556 N/A LYS 528.A N ARG 524.A O no hydrogen 2.953 N/A PHE 529.A N LEU 525.A O no hydrogen 3.158 N/A GLU 531.A N ARG 541.A O no hydrogen 3.087 N/A TYR 532.A OH GLN 527.A O no hydrogen 3.149 N/A HIS 533.A N SER 539.A OG no hydrogen 2.973 N/A ASP 536.A N HIS 533.A O no hydrogen 3.083 N/A SER 539.A N ASP 536.A O no hydrogen 2.128 N/A SER 539.A OG HIS 533.A O no hydrogen 3.459 N/A PHE 540.A N PRO 537.A O no hydrogen 2.825 N/A ARG 541.A N GLU 531.A O no hydrogen 3.028 N/A PHE 546.A N SER 543.A O no hydrogen 2.832 N/A SER 547.A N SER 543.A O no hydrogen 2.761 N/A SER 547.A OG SER 543.A O no hydrogen 3.110 N/A LEU 548.A N GLN 491.A OE1 no hydrogen 3.071 N/A TYR 549.A N PHE 546.A O no hydrogen 2.780 N/A PHE 552.A N LEU 548.A O no hydrogen 3.136 N/A MET 553.A N TYR 549.A O no hydrogen 3.123 N/A PHE 554.A N PRO 550.A O no hydrogen 2.953 N/A HIS 555.A N GLN 551.A O no hydrogen 3.237 N/A LEU 556.A N PHE 552.A O no hydrogen 2.830 N/A ARG 557.A N MET 553.A O no hydrogen 2.924 N/A SER 559.A N LEU 556.A O no hydrogen 3.266 N/A SER 559.A OG HIS 555.A O no hydrogen 3.455 N/A SER 559.A OG LEU 556.A O no hydrogen 2.285 N/A LEU 562.A N SER 559.A O no hydrogen 3.072 N/A GLN 563.A N SER 559.A O no hydrogen 2.879 N/A ASN 567.A N VAL 564.A O no hydrogen 3.380 N/A ASN 567.A ND2 ASN 566.A O no hydrogen 2.504 N/A SER 572.A N SER 568.A O no hydrogen 3.139 N/A SER 573.A N PRO 569.A O no hydrogen 3.387 N/A SER 573.A OG PRO 569.A O no hydrogen 2.688 N/A TYR 574.A N ASP 570.A O no hydrogen 3.000 N/A TYR 575.A N GLU 571.A O no hydrogen 2.806 N/A ARG 576.A N SER 572.A O no hydrogen 3.072 N/A ARG 576.A NE PHE 561.A O no hydrogen 3.097 N/A ARG 576.A NH1 ALA 506.A O no hydrogen 3.309 N/A ARG 576.A NH1 GLU 507.A OE1 no hydrogen 3.115 N/A ARG 576.A NH2 PHE 561.A O no hydrogen 2.573 N/A HIS 577.A N SER 573.A O no hydrogen 3.032 N/A HIS 577.A ND1 ASN 347.A OD1 no hydrogen 2.941 N/A HIS 578.A N TYR 575.A O no hydrogen 3.018 N/A PHE 579.A N TYR 575.A O no hydrogen 3.218 N/A MET 580.A N ARG 576.A O no hydrogen 3.236 N/A ARG 581.A N HIS 578.A O no hydrogen 3.382 N/A ARG 581.A NH2 PRO 346.A O no hydrogen 3.172 N/A GLN 582.A N PHE 579.A O no hydrogen 3.409 N/A SER 587.A N ASP 583.A O no hydrogen 3.110 N/A SER 587.A OG ASP 583.A O no hydrogen 2.750 N/A SER 587.A OG LEU 584.A O no hydrogen 2.281 N/A LEU 588.A N LEU 584.A O no hydrogen 2.743 N/A ILE 589.A N THR 585.A O no hydrogen 3.089 N/A MET 590.A N GLN 586.A O no hydrogen 2.917 N/A ILE 591.A N SER 587.A O no hydrogen 3.283 N/A GLN 592.A N LEU 588.A O no hydrogen 2.856 N/A TYR 596.A N LEU 621.A O no hydrogen 3.101 N/A ALA 597.A N GLU 605.A O no hydrogen 2.818 N/A TYR 598.A N ILE 619.A O no hydrogen 2.724 N/A TYR 598.A OH ASP 663.A OD2 no hydrogen 2.689 N/A SER 599.A OG SER 601.A O no hydrogen 3.365 N/A SER 599.A OG SER 601.A OG no hydrogen 3.187 N/A SER 601.A OG SER 599.A OG no hydrogen 3.187 N/A GLY 602.A N PHE 600.A O no hydrogen 2.956 N/A GLU 605.A N ALA 597.A O no hydrogen 3.067 N/A VAL 607.A N LEU 595.A O no hydrogen 3.193 N/A SER 613.A N ASP 610.A O no hydrogen 3.032 N/A ILE 614.A N SER 611.A O no hydrogen 2.896 N/A ARG 618.A N LEU 615.A O no hydrogen 3.365 N/A ARG 618.A NH2 SER 613.A O no hydrogen 2.866 N/A ILE 619.A N TYR 598.A O no hydrogen 2.885 N/A LEU 620.A N TYR 631.A O no hydrogen 2.648 N/A LEU 621.A N TYR 596.A O no hydrogen 2.924 N/A MET 622.A N LEU 629.A O no hydrogen 2.616 N/A ASP 623.A N ILE 594.A O no hydrogen 2.793 N/A ILE 628.A N ARG 676.A O no hydrogen 2.879 N/A LEU 629.A N MET 622.A O no hydrogen 2.946 N/A ILE 630.A N ILE 678.A O no hydrogen 3.097 N/A TYR 631.A N LEU 620.A O no hydrogen 2.667 N/A HIS 632.A N THR 680.A O no hydrogen 3.454 N/A GLY 633.A N ARG 618.A O no hydrogen 3.135 N/A THR 635.A N ALA 616.A O no hydrogen 3.096 N/A ILE 636.A N ALA 616.A O no hydrogen 3.212 N/A ALA 637.A N GLY 633.A O no hydrogen 2.987 N/A TRP 639.A N THR 635.A O no hydrogen 3.129 N/A ARG 640.A N ILE 636.A O no hydrogen 2.996 N/A LYS 641.A N ALA 637.A O no hydrogen 2.589 N/A GLY 643.A N ARG 640.A O no hydrogen 3.367 N/A GLN 645.A N GLN 645.A OE1 no hydrogen 2.015 N/A GLN 645.A NE2 ARG 640.A O no hydrogen 3.084 N/A ASP 646.A N GLY 643.A O no hydrogen 3.365 N/A MET 647.A N TYR 644.A O no hydrogen 3.091 N/A PHE 653.A N TYR 650.A O no hydrogen 3.230 N/A ARG 654.A N TYR 650.A O no hydrogen 3.150 N/A HIS 655.A N GLU 651.A O no hydrogen 3.107 N/A LEU 656.A N ASN 652.A O no hydrogen 3.324 N/A LEU 657.A N PHE 653.A O no hydrogen 3.303 N/A GLN 658.A N HIS 655.A O no hydrogen 3.188 N/A GLN 658.A NE2 ASP 662.A OD1 no hydrogen 3.045 N/A ALA 659.A N HIS 655.A O no hydrogen 3.030 N/A ASP 662.A N GLN 658.A O no hydrogen 2.833 N/A ASP 663.A N ALA 659.A O no hydrogen 3.257 N/A ALA 664.A N PRO 660.A O no hydrogen 2.744 N/A GLN 665.A N VAL 661.A O no hydrogen 3.253 N/A GLN 665.A N ASP 662.A O no hydrogen 2.990 N/A GLU 666.A N ASP 662.A O no hydrogen 3.413 N/A ILE 667.A N ASP 663.A O no hydrogen 3.351 N/A LEU 668.A N ALA 664.A O no hydrogen 3.193 N/A HIS 669.A N GLU 666.A O no hydrogen 2.962 N/A SER 670.A N GLU 666.A O no hydrogen 3.212 N/A ARG 671.A NH1 ASP 623.A OD1 no hydrogen 3.227 N/A ARG 671.A NH1 THR 624.A O no hydrogen 3.374 N/A ARG 671.A NH1 PHE 625.A O no hydrogen 2.453 N/A ARG 671.A NH2 ASP 623.A OD1 no hydrogen 3.136 N/A ARG 671.A NH2 ASP 623.A OD2 no hydrogen 3.362 N/A ARG 676.A N PHE 626.A O no hydrogen 3.255 N/A TYR 677.A OH ASP 679.A OD2 no hydrogen 3.126 N/A ILE 678.A N ILE 628.A O no hydrogen 3.017 N/A THR 680.A N ILE 630.A O no hydrogen 3.180 N/A HIS 682.A N HIS 632.A O no hydrogen 3.049 N/A GLY 684.A N GLU 681.A O no hydrogen 2.799 N/A ALA 687.A N GLY 684.A O no hydrogen 2.636 N/A ARG 688.A NH1 SER 685.A O no hydrogen 3.161 N/A LEU 690.A N ALA 687.A O no hydrogen 2.913 N/A LEU 691.A N ALA 687.A O no hydrogen 3.295 N/A SER 692.A N ARG 688.A O no hydrogen 3.158 N/A SER 692.A OG ARG 688.A O no hydrogen 2.286 N/A LYS 693.A N LEU 690.A O no hydrogen 2.958 N/A VAL 694.A N LEU 690.A O no hydrogen 3.256 N/A THR 698.A OG1 ASP 699.A O no hydrogen 3.296 N/A GLN 704.A NE2 ASP 708.A OD1 no hydrogen 3.195 N/A VAL 705.A N SER 702.A OG no hydrogen 3.169 N/A PHE 706.A N SER 702.A O no hydrogen 2.785 N/A MET 707.A N LEU 703.A O no hydrogen 3.110 N/A ASP 708.A N GLN 704.A O no hydrogen 3.142 N/A ASP 708.A N VAL 705.A O no hydrogen 2.856 N/A HIS 709.A N VAL 705.A O no hydrogen 3.284 N/A LEU 710.A N PHE 706.A O no hydrogen 3.251 N/A LYS 711.A N MET 707.A O no hydrogen 2.768 N/A LYS 712.A N ASP 708.A O no hydrogen 3.004 N/A LEU 713.A N HIS 709.A O no hydrogen 3.067 N/A LEU 713.A N LEU 710.A O no hydrogen 2.875 N/A ALA 714.A N LEU 710.A O no hydrogen 2.613 N/A VAL 715.A N LYS 711.A O no hydrogen 2.979 N/A SER 716.A OG LYS 712.A O no hydrogen 3.530 N/A SER 716.A OG LEU 713.A O no hydrogen 2.898 N/A