Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8hmb_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 SER 3.A O no hydrogen 2.836 N/A ILE 7.A N SER 3.A O no hydrogen 3.279 N/A LYS 8.A N ALA 4.A O no hydrogen 3.009 N/A LYS 8.A NZ GLU 854.A OE1 no hydrogen 2.436 N/A SER 9.A N VAL 5.A O no hydrogen 3.007 N/A SER 9.A OG THR 6.A O no hydrogen 2.420 N/A TRP 10.A N THR 6.A O no hydrogen 3.045 N/A VAL 11.A N ILE 7.A O no hydrogen 2.617 N/A ASP 12.A N LYS 8.A O no hydrogen 2.718 N/A LYS 13.A N SER 9.A O no hydrogen 3.013 N/A MET 14.A N TRP 10.A O no hydrogen 3.199 N/A GLN 15.A N VAL 11.A O no hydrogen 2.986 N/A GLN 15.A NE2 ASP 12.A OD1 no hydrogen 3.183 N/A GLU 16.A N ASP 12.A O no hydrogen 3.348 N/A ASP 17.A N LYS 13.A O no hydrogen 2.955 N/A LEU 18.A N MET 14.A O no hydrogen 3.027 N/A VAL 19.A N GLN 15.A O no hydrogen 2.819 N/A THR 20.A N GLU 16.A O no hydrogen 3.209 N/A THR 20.A OG1 GLU 16.A O no hydrogen 2.794 N/A THR 20.A OG1 GLU 16.A OE2 no hydrogen 2.230 N/A LEU 21.A N ASP 17.A O no hydrogen 2.982 N/A ALA 22.A N LEU 18.A O no hydrogen 2.925 N/A LYS 23.A N VAL 19.A O no hydrogen 2.752 N/A THR 24.A N THR 20.A O no hydrogen 2.899 N/A THR 24.A OG1 THR 20.A O no hydrogen 2.855 N/A THR 24.A OG1 LEU 21.A O no hydrogen 3.156 N/A ALA 25.A N LEU 21.A O no hydrogen 2.751 N/A SER 26.A N ALA 22.A O no hydrogen 3.097 N/A SER 26.A OG ALA 22.A O no hydrogen 2.535 N/A TYR 35.A N LEU 31.A O no hydrogen 3.036 N/A GLU 36.A N VAL 32.A O no hydrogen 2.880 N/A LYS 37.A N ASP 33.A O no hydrogen 2.309 N/A TYR 38.A N ILE 34.A O no hydrogen 3.272 N/A TYR 38.A OH GLU 648.A OE1 no hydrogen 2.695 N/A TYR 38.A OH GLU 648.A OE2 no hydrogen 2.515 N/A TYR 42.A OH TYR 35.A O no hydrogen 3.385 N/A THR 43.A OG1 TYR 42.A O no hydrogen 2.540 N/A GLU 45.A N TYR 571.A O no hydrogen 2.988 N/A ASN 47.A N PHE 569.A O no hydrogen 3.143 N/A ASN 47.A ND2 THR 459.A O no hydrogen 2.924 N/A ASN 47.A ND2 SER 568.A O no hydrogen 2.721 N/A ASN 48.A ND2 GLN 51.A OE1 no hydrogen 3.305 N/A GLU 54.A N ARG 50.A O no hydrogen 3.332 N/A ALA 56.A N VAL 53.A O no hydrogen 3.080 N/A ALA 57.A N VAL 53.A O no hydrogen 2.512 N/A ARG 58.A N GLU 54.A O no hydrogen 3.029 N/A ILE 60.A N ALA 56.A O no hydrogen 3.040 N/A LYS 62.A N ARG 58.A O no hydrogen 3.284 N/A LEU 63.A N ASP 59.A O no hydrogen 3.032 N/A LEU 64.A N ILE 60.A O no hydrogen 3.008 N/A SER 65.A N LYS 62.A O no hydrogen 3.207 N/A ASN 66.A N LYS 62.A O no hydrogen 2.985 N/A ARG 67.A N LEU 63.A O no hydrogen 3.201 N/A SER 68.A N SER 65.A O no hydrogen 3.015 N/A LYS 69.A N SER 65.A O no hydrogen 3.149 N/A LYS 69.A N ASN 66.A O no hydrogen 3.215 N/A ALA 70.A N ASN 66.A O no hydrogen 3.169 N/A VAL 72.A N SER 68.A O no hydrogen 3.051 N/A ARG 73.A N LYS 69.A O no hydrogen 2.912 N/A ARG 73.A NE ASN 157.A OD1 no hydrogen 3.044 N/A ARG 73.A NH2 ASN 157.A OD1 no hydrogen 3.368 N/A LEU 74.A N LEU 71.A O no hydrogen 2.679 N/A ALA 75.A N LEU 71.A O no hydrogen 2.853 N/A LEU 76.A N VAL 72.A O no hydrogen 3.219 N/A ALA 78.A N LEU 74.A O no hydrogen 3.124 N/A GLU 79.A N ALA 75.A O no hydrogen 2.903 N/A LYS 80.A N LEU 76.A O no hydrogen 2.964 N/A GLN 82.A NE2 ASN 422.A OD1 no hydrogen 3.382 N/A ALA 84.A N VAL 81.A O no hydrogen 3.063 N/A GLU 89.A N ASP 90.A OD1 no hydrogen 3.266 N/A ALA 101.A N VAL 127.A O no hydrogen 2.743 N/A LYS 102.A NZ ILE 129.A O no hydrogen 3.367 N/A LYS 102.A NZ ASP 188.A OD2 no hydrogen 2.434 N/A ILE 106.A N TYR 98.A O no hydrogen 2.998 N/A ILE 111.A N ILE 120.A O no hydrogen 2.821 N/A ASP 113.A N ARG 118.A O no hydrogen 3.372 N/A ASN 115.A N ASP 113.A OD1 no hydrogen 3.177 N/A GLY 117.A N ASP 113.A O no hydrogen 3.212 N/A ARG 118.A NH2 PRO 183.A O no hydrogen 2.552 N/A ILE 120.A N ILE 111.A O no hydrogen 3.053 N/A SER 121.A OG ALA 181.A O no hydrogen 3.376 N/A TYR 122.A OH ASP 113.A OD2 no hydrogen 3.000 N/A GLN 123.A NE2 TYR 122.A O no hydrogen 3.139 N/A ALA 126.A N TYR 178.A O no hydrogen 3.182 N/A VAL 127.A N TYR 99.A O no hydrogen 3.060 N/A HIS 128.A N ALA 176.A O no hydrogen 3.030 N/A HIS 128.A NE2 ASP 188.A OD2 no hydrogen 2.875 N/A ILE 133.A N PRO 130.A O no hydrogen 3.295 N/A LEU 141.A N SER 137.A O no hydrogen 2.880 N/A ASN 142.A N THR 138.A O no hydrogen 3.342 N/A LEU 144.A N VAL 140.A O no hydrogen 2.942 N/A ASN 145.A N ASN 142.A O no hydrogen 2.666 N/A TRP 146.A N ASN 142.A O no hydrogen 3.153 N/A THR 147.A OG1 GLU 143.A O no hydrogen 2.234 N/A SER 148.A N ASN 145.A O no hydrogen 2.849 N/A SER 148.A OG LEU 144.A O no hydrogen 2.929 N/A VAL 153.A N LEU 150.A O no hydrogen 2.879 N/A PHE 154.A N LEU 150.A O no hydrogen 2.774 N/A LYS 155.A N ASP 151.A O no hydrogen 3.297 N/A LYS 155.A NZ GLN 123.A O no hydrogen 3.292 N/A ASN 157.A N VAL 153.A O no hydrogen 3.204 N/A ASN 157.A ND2 ALA 70.A O no hydrogen 3.129 N/A GLU 159.A N LYS 155.A O no hydrogen 3.254 N/A GLU 160.A N LYS 156.A O no hydrogen 2.961 N/A GLU 160.A N ASN 157.A O no hydrogen 3.172 N/A ASP 161.A N ASN 157.A O no hydrogen 3.071 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 3.181 N/A VAL 168.A N GLY 443.A O no hydrogen 2.966 N/A GLY 170.A N VAL 441.A O no hydrogen 2.734 N/A SER 171.A N PHE 169.A O no hydrogen 3.164 N/A SER 171.A OG GLU 143.A OE1 no hydrogen 2.445 N/A SER 171.A OG GLU 143.A OE2 no hydrogen 2.706 N/A ALA 172.A N LEU 439.A O no hydrogen 2.585 N/A GLY 174.A N SER 171.A O no hydrogen 3.301 N/A ARG 177.A N PHE 169.A O no hydrogen 3.157 N/A ARG 177.A NE ASP 151.A OD1 no hydrogen 3.558 N/A TYR 178.A OH SER 182.A O no hydrogen 2.778 N/A TYR 179.A N GLN 167.A O no hydrogen 2.988 N/A TYR 179.A OH TYR 122.A O no hydrogen 2.494 N/A SER 182.A OG GLN 119.A O no hydrogen 2.887 N/A SER 182.A OG PRO 180.A O no hydrogen 3.376 N/A TRP 184.A N ALA 101.A O no hydrogen 3.376 N/A LYS 186.A NZ VAL 185.A O no hydrogen 2.991 N/A LEU 189.A N ILE 187.A O no hydrogen 3.016 N/A TYR 190.A N ASP 188.A OD1 no hydrogen 3.118 N/A ARG 193.A NE ASP 191.A OD1 no hydrogen 3.071 N/A ARG 194.A N ASP 191.A O no hydrogen 3.105 N/A ARG 194.A NH1 THR 377.A OG1 no hydrogen 3.235 N/A ARG 194.A NH1 GLN 378.A OE1 no hydrogen 3.454 N/A ARG 194.A NH2 GLU 232.A O no hydrogen 2.450 N/A ARG 195.A N VAL 192.A O no hydrogen 3.009 N/A ARG 195.A NH1 TYR 190.A OH no hydrogen 3.521 N/A TYR 198.A N ARG 195.A O no hydrogen 2.764 N/A ILE 199.A N ARG 195.A O no hydrogen 3.321 N/A GLN 200.A NE2 TRP 400.A O no hydrogen 3.539 N/A ALA 202.A N TYR 198.A O no hydrogen 2.881 N/A SER 204.A OG ASN 309.A OD1 no hydrogen 2.342 N/A SER 204.A OG PHE 903.A O no hydrogen 3.096 N/A LYS 206.A NZ ASP 241.A OD2 no hydrogen 3.376 N/A ASP 207.A N ASN 309.A O no hydrogen 2.709 N/A MET 208.A N PHE 242.A O no hydrogen 3.002 N/A ILE 210.A N ASN 244.A O no hydrogen 2.952 N/A LEU 211.A N MET 313.A O no hydrogen 3.255 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 3.182 N/A SER 215.A OG THR 285.A OG1 no hydrogen 2.474 N/A GLY 216.A N GLY 283.A O no hydrogen 2.680 N/A SER 217.A OG ASP 317.A OD2 no hydrogen 2.524 N/A SER 219.A N GLY 216.A O no hydrogen 3.029 N/A LEU 225.A N LEU 221.A O no hydrogen 3.130 N/A ILE 226.A N THR 222.A O no hydrogen 3.124 N/A ARG 227.A N LEU 223.A O no hydrogen 2.921 N/A THR 228.A N LYS 224.A O no hydrogen 3.126 N/A THR 228.A OG1 LYS 224.A O no hydrogen 2.703 N/A SER 229.A N LEU 225.A O no hydrogen 2.757 N/A VAL 230.A N ILE 226.A O no hydrogen 2.911 N/A SER 231.A N ARG 227.A O no hydrogen 3.432 N/A SER 231.A OG ARG 227.A O no hydrogen 3.418 N/A SER 231.A OG THR 228.A O no hydrogen 2.962 N/A GLU 232.A N THR 228.A O no hydrogen 2.969 N/A GLU 232.A N SER 229.A O no hydrogen 3.249 N/A MET 233.A N VAL 230.A O no hydrogen 2.915 N/A LEU 234.A N VAL 230.A O no hydrogen 3.022 N/A THR 236.A N MET 233.A O no hydrogen 3.054 N/A THR 236.A OG1 MET 233.A O no hydrogen 2.751 N/A THR 236.A OG1 TYR 380.A OH no hydrogen 2.887 N/A SER 238.A N ASP 241.A OD2 no hydrogen 3.275 N/A PHE 242.A N LYS 206.A O no hydrogen 3.261 N/A ASN 244.A ND2 GLN 297.A OE1 no hydrogen 2.945 N/A VAL 245.A N ASN 244.A OD1 no hydrogen 2.717 N/A ALA 246.A N ILE 210.A O no hydrogen 2.809 N/A SER 247.A N GLN 253.A O no hydrogen 3.004 N/A ASN 249.A N ASN 251.A O no hydrogen 3.386 N/A ASN 249.A ND2 LYS 282.A O no hydrogen 3.213 N/A SER 250.A OG ASN 249.A O no hydrogen 2.321 N/A GLN 253.A N SER 247.A O no hydrogen 2.871 N/A VAL 255.A N VAL 245.A O no hydrogen 3.230 N/A VAL 262.A N VAL 243.A O no hydrogen 3.183 N/A GLN 263.A NE2 ASP 239.A O no hydrogen 3.025 N/A ASN 265.A ND2 GLN 263.A OE1 no hydrogen 3.652 N/A ASN 265.A ND2 ASN 268.A OD1 no hydrogen 2.403 N/A LYS 269.A N ASN 265.A O no hydrogen 3.337 N/A LYS 269.A NZ LEU 237.A O no hydrogen 3.026 N/A LYS 270.A NZ ASP 274.A OD1 no hydrogen 3.068 N/A LYS 270.A NZ ASP 274.A OD2 no hydrogen 2.615 N/A VAL 271.A N ARG 267.A O no hydrogen 3.251 N/A LEU 272.A N ASN 268.A O no hydrogen 3.304 N/A LYS 273.A N LYS 269.A O no hydrogen 2.672 N/A ASP 274.A N LYS 270.A O no hydrogen 3.016 N/A ALA 275.A N VAL 271.A O no hydrogen 3.096 N/A ALA 275.A N LEU 272.A O no hydrogen 3.246 N/A VAL 276.A N LEU 272.A O no hydrogen 2.878 N/A ASN 277.A N LYS 273.A O no hydrogen 3.140 N/A THR 285.A OG1 SER 215.A OG no hydrogen 2.474 N/A TYR 287.A OH THR 316.A OG1 no hydrogen 2.713 N/A PHE 291.A N TYR 287.A O no hydrogen 3.069 N/A SER 292.A N LYS 288.A O no hydrogen 3.045 N/A PHE 295.A N PHE 291.A O no hydrogen 3.078 N/A GLN 297.A N PHE 293.A O no hydrogen 3.360 N/A GLN 297.A NE2 ASP 254.A OD1 no hydrogen 3.430 N/A GLN 297.A NE2 ASP 254.A OD2 no hydrogen 3.492 N/A LEU 299.A N GLU 296.A O no hydrogen 3.302 N/A SER 304.A OG VAL 303.A O no hydrogen 2.485 N/A CYS 308.A N ALA 306.A O no hydrogen 2.873 N/A ASN 309.A N ASP 904.A OD2 no hydrogen 3.441 N/A LYS 310.A NZ TYR 301.A OH no hydrogen 3.517 N/A ILE 311.A N ASP 207.A O no hydrogen 3.244 N/A ILE 312.A N ARG 337.A O no hydrogen 2.951 N/A MET 313.A N LEU 209.A O no hydrogen 3.080 N/A LEU 314.A N PHE 339.A O no hydrogen 2.894 N/A PHE 315.A N LEU 211.A O no hydrogen 2.961 N/A THR 316.A N PHE 341.A O no hydrogen 3.186 N/A THR 316.A OG1 ASP 213.A OD2 no hydrogen 2.937 N/A THR 316.A OG1 TYR 287.A OH no hydrogen 2.713 N/A THR 316.A OG1 ASP 317.A OD1 no hydrogen 3.368 N/A GLY 318.A N ASP 317.A OD1 no hydrogen 2.333 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.626 N/A ILE 326.A N ALA 323.A O no hydrogen 2.996 N/A PHE 327.A N ALA 323.A O no hydrogen 3.295 N/A LYS 329.A N GLU 325.A O no hydrogen 3.239 N/A TYR 330.A N ILE 326.A O no hydrogen 3.051 N/A ASN 331.A ND2 VAL 336.A O no hydrogen 3.133 N/A LYS 332.A NZ ASN 328.A OD1 no hydrogen 3.445 N/A ASP 333.A N ASP 333.A OD1 no hydrogen 2.505 N/A LYS 334.A NZ GLU 359.A OE2 no hydrogen 2.417 N/A VAL 336.A N ASN 331.A OD1 no hydrogen 3.080 N/A ARG 337.A N LYS 310.A O no hydrogen 3.417 N/A ARG 337.A NH1 GLU 909.A OE2 no hydrogen 3.507 N/A ARG 337.A NH2 GLU 909.A OE1 no hydrogen 3.301 N/A ARG 337.A NH2 GLU 909.A OE2 no hydrogen 3.177 N/A THR 340.A N TYR 363.A O no hydrogen 3.257 N/A THR 340.A OG1 ILE 353.A O no hydrogen 3.306 N/A PHE 341.A N LEU 314.A O no hydrogen 2.901 N/A SER 342.A N TYR 365.A O no hydrogen 2.971 N/A SER 342.A OG ASP 317.A O no hydrogen 2.842 N/A VAL 343.A N THR 316.A O no hydrogen 2.913 N/A GLY 344.A N ILE 367.A O no hydrogen 2.809 N/A TYR 348.A N HIS 346.A ND1 no hydrogen 2.988 N/A ARG 350.A NH2 GLY 344.A O no hydrogen 3.181 N/A GLY 351.A N ASP 349.A OD1 no hydrogen 2.734 N/A GLN 354.A N ARG 350.A O no hydrogen 3.336 N/A TRP 355.A N GLY 351.A O no hydrogen 3.061 N/A MET 356.A N PRO 352.A O no hydrogen 3.073 N/A ALA 357.A N ILE 353.A O no hydrogen 3.314 N/A CYS 358.A N GLN 354.A O no hydrogen 3.129 N/A CYS 358.A N TRP 355.A O no hydrogen 3.147 N/A GLU 359.A N TRP 355.A O no hydrogen 2.729 N/A ASN 360.A N MET 356.A O no hydrogen 3.364 N/A ASN 360.A ND2 MET 356.A O no hydrogen 2.942 N/A LYS 361.A NZ LYS 334.A O no hydrogen 2.594 N/A GLY 362.A N ALA 357.A O no hydrogen 2.941 N/A GLY 362.A N ASN 360.A O no hydrogen 2.661 N/A TYR 365.A N THR 340.A O no hydrogen 3.034 N/A SER 369.A OG PRO 368.A O no hydrogen 2.609 N/A ALA 372.A N SER 369.A O no hydrogen 2.949 N/A ARG 374.A NH1 ASP 132.A OD1 no hydrogen 3.487 N/A ARG 374.A NH2 ASP 132.A OD1 no hydrogen 3.194 N/A ASN 376.A ND2 ALA 372.A O no hydrogen 2.436 N/A THR 377.A N ILE 373.A O no hydrogen 3.282 N/A THR 377.A OG1 GLU 232.A O no hydrogen 3.436 N/A THR 377.A OG1 ILE 373.A O no hydrogen 3.062 N/A GLN 378.A NE2 ASP 191.A OD2 no hydrogen 3.424 N/A GLU 379.A N ASN 376.A O no hydrogen 2.838 N/A TYR 380.A OH THR 236.A OG1 no hydrogen 2.887 N/A ASP 382.A N GLU 379.A O no hydrogen 2.811 N/A VAL 383.A N TYR 380.A O no hydrogen 2.879 N/A LEU 384.A N TYR 380.A O no hydrogen 2.951 N/A GLY 385.A N LEU 381.A O no hydrogen 3.038 N/A ARG 386.A N VAL 383.A O no hydrogen 3.064 N/A ARG 386.A NH1 GLU 909.A OE2 no hydrogen 3.072 N/A MET 388.A N GLY 385.A O no hydrogen 3.168 N/A VAL 389.A N GLY 385.A O no hydrogen 3.289 N/A LEU 390.A N ARG 386.A O no hydrogen 3.511 N/A LYS 396.A NZ PRO 419.A O no hydrogen 2.529 N/A THR 401.A N THR 415.A O no hydrogen 2.800 N/A THR 401.A OG1 THR 415.A O no hydrogen 3.323 N/A TYR 404.A N VAL 413.A O no hydrogen 3.137 N/A TYR 404.A OH THR 415.A OG1 no hydrogen 2.395 N/A ASP 406.A N GLY 411.A O no hydrogen 3.232 N/A VAL 413.A N TYR 404.A O no hydrogen 3.130 N/A ILE 414.A N VAL 446.A O no hydrogen 2.685 N/A THR 415.A N THR 401.A OG1 no hydrogen 3.141 N/A THR 415.A OG1 TYR 404.A OH no hydrogen 2.395 N/A THR 415.A OG1 ASP 445.A OD1 no hydrogen 2.335 N/A GLY 416.A N VAL 444.A O no hydrogen 3.335 N/A THR 417.A N GLN 399.A O no hydrogen 2.806 N/A THR 417.A OG1 GLN 200.A OE1 no hydrogen 3.480 N/A THR 417.A OG1 GLN 399.A O no hydrogen 3.107 N/A LEU 418.A N MET 442.A O no hydrogen 3.249 N/A VAL 420.A N GLY 440.A O no hydrogen 3.023 N/A PHE 421.A N GLU 79.A OE2 no hydrogen 2.382 N/A THR 424.A OG1 ASN 422.A OD1 no hydrogen 3.295 N/A GLU 428.A N GLY 425.A O no hydrogen 3.231 N/A LYS 430.A N GLY 425.A O no hydrogen 3.487 N/A THR 431.A OG1 THR 431.A O no hydrogen 2.625 N/A ASN 435.A ND2 THR 424.A O no hydrogen 2.906 N/A GLN 436.A NE2 ASP 910.A O no hydrogen 3.534 N/A LEU 439.A N VAL 420.A O no hydrogen 3.143 N/A MET 442.A N LEU 418.A O no hydrogen 3.291 N/A GLY 443.A N VAL 168.A O no hydrogen 2.807 N/A VAL 444.A N GLY 416.A O no hydrogen 3.306 N/A ASP 445.A N TRP 166.A O no hydrogen 3.109 N/A VAL 446.A N ILE 414.A O no hydrogen 2.653 N/A SER 447.A OG LEU 412.A O no hydrogen 3.297 N/A LEU 448.A N LEU 412.A O no hydrogen 2.891 N/A GLU 449.A N SER 447.A OG no hydrogen 3.392 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.744 N/A ASP 450.A N SER 447.A O no hydrogen 2.958 N/A ILE 451.A N LEU 448.A O no hydrogen 2.742 N/A LYS 452.A N LEU 448.A O no hydrogen 2.703 N/A LEU 454.A N ILE 451.A O no hydrogen 3.221 N/A THR 455.A OG1 THR 455.A O no hydrogen 2.420 N/A ARG 457.A NH1 GLU 694.A OE2 no hydrogen 2.445 N/A THR 459.A OG1 ASN 47.A OD1 no hydrogen 3.012 N/A THR 459.A OG1 THR 459.A O no hydrogen 2.591 N/A LEU 460.A N ARG 457.A O no hydrogen 3.258 N/A CYS 461.A N SER 568.A OG no hydrogen 3.005 N/A ASN 463.A ND2 LYS 699.A O no hydrogen 3.504 N/A GLY 464.A N CYS 461.A O no hydrogen 3.191 N/A TYR 465.A N VAL 563.A O no hydrogen 3.111 N/A TYR 465.A OH GLU 506.A OE2 no hydrogen 2.274 N/A PHE 467.A N ALA 561.A O no hydrogen 2.921 N/A ALA 468.A N LEU 476.A O no hydrogen 3.155 N/A ASP 470.A N TYR 474.A O no hydrogen 2.779 N/A GLY 473.A N ASP 470.A O no hydrogen 3.452 N/A TYR 474.A OH ASP 239.A OD2 no hydrogen 2.964 N/A VAL 475.A N LEU 500.A O no hydrogen 2.851 N/A HIS 478.A NE2 GLU 506.A OE2 no hydrogen 2.978 N/A ASN 480.A N HIS 478.A ND1 no hydrogen 2.858 N/A ASN 480.A ND2 ALA 505.A O no hydrogen 2.901 N/A LEU 481.A N HIS 478.A O no hydrogen 3.222 N/A GLN 482.A NE2 ASN 480.A OD1 no hydrogen 3.361 N/A LYS 484.A N GLN 482.A O no hydrogen 2.759 N/A GLY 487.A N TYR 813.A O no hydrogen 2.805 N/A GLN 495.A NE2 GLU 235.A O no hydrogen 3.317 N/A THR 499.A OG1 THR 499.A O no hydrogen 2.394 N/A PHE 502.A N GLY 473.A O no hydrogen 3.004 N/A PHE 502.A N ASP 501.A OD1 no hydrogen 2.576 N/A ASP 504.A N ASP 501.A O no hydrogen 3.071 N/A ALA 505.A N ASP 501.A O no hydrogen 3.252 N/A LYS 512.A N ASN 509.A OD1 no hydrogen 3.007 N/A LYS 512.A NZ GLU 506.A OE1 no hydrogen 3.255 N/A LYS 512.A NZ TYR 548.A OH no hydrogen 3.124 N/A VAL 513.A N ASN 509.A O no hydrogen 3.291 N/A ILE 515.A N ILE 511.A O no hydrogen 3.113 N/A ARG 516.A N LYS 512.A O no hydrogen 3.127 N/A ARG 516.A NE ASP 501.A OD1 no hydrogen 3.280 N/A ARG 516.A NH1 ASN 517.A OD1 no hydrogen 3.251 N/A ARG 516.A NH1 TYR 895.A O no hydrogen 3.192 N/A ARG 516.A NH2 TYR 895.A O no hydrogen 2.648 N/A ASN 517.A N VAL 513.A O no hydrogen 2.876 N/A LYS 518.A N GLU 514.A O no hydrogen 3.050 N/A LYS 518.A N ILE 515.A O no hydrogen 3.240 N/A MET 519.A N ILE 515.A O no hydrogen 3.039 N/A MET 519.A N ARG 516.A O no hydrogen 3.045 N/A ILE 520.A N ARG 516.A O no hydrogen 3.033 N/A GLY 522.A N MET 519.A O no hydrogen 3.391 N/A GLY 525.A N TRP 550.A O no hydrogen 3.390 N/A LYS 527.A N TYR 548.A O no hydrogen 3.207 N/A LYS 527.A NZ THR 528.A O no hydrogen 3.520 N/A THR 528.A OG1 THR 547.A OG1 no hydrogen 3.044 N/A PHE 529.A N ARG 546.A O no hydrogen 3.070 N/A THR 531.A N GLY 544.A O no hydrogen 2.781 N/A THR 531.A OG1 LEU 532.A O no hydrogen 3.209 N/A VAL 533.A N ASP 542.A O no hydrogen 2.800 N/A LYS 534.A NZ SER 810.A OG no hydrogen 2.949 N/A LYS 534.A NZ GLN 826.A OE1 no hydrogen 2.829 N/A SER 535.A N TYR 540.A O no hydrogen 2.647 N/A SER 535.A OG ASP 537.A OD1 no hydrogen 2.720 N/A GLU 538.A N SER 535.A O no hydrogen 2.987 N/A ARG 539.A NH1 TYR 540.A OH no hydrogen 2.959 N/A TYR 540.A OH ASP 767.A OD2 no hydrogen 3.333 N/A ASP 542.A N VAL 533.A O no hydrogen 2.949 N/A GLY 544.A N THR 531.A O no hydrogen 2.992 N/A ARG 546.A N PHE 529.A O no hydrogen 2.985 N/A THR 547.A N LEU 564.A O no hydrogen 3.075 N/A THR 547.A OG1 GLU 526.A OE2 no hydrogen 3.347 N/A THR 547.A OG1 THR 528.A OG1 no hydrogen 3.044 N/A TYR 548.A N LYS 527.A O no hydrogen 2.985 N/A TYR 548.A OH GLU 506.A OE1 no hydrogen 3.419 N/A THR 549.A N LEU 562.A O no hydrogen 2.891 N/A THR 549.A OG1 ALA 49.A O no hydrogen 3.254 N/A THR 549.A OG1 GLU 526.A OE2 no hydrogen 3.122 N/A THR 551.A N LEU 560.A O no hydrogen 3.108 N/A VAL 553.A N TYR 558.A O no hydrogen 3.245 N/A THR 556.A OG1 VAL 553.A O no hydrogen 2.678 N/A SER 559.A OG MET 519.A O no hydrogen 2.286 N/A ALA 561.A N PHE 467.A O no hydrogen 2.613 N/A LEU 562.A N THR 549.A O no hydrogen 2.564 N/A VAL 563.A N TYR 465.A O no hydrogen 2.937 N/A LEU 564.A N THR 547.A O no hydrogen 3.379 N/A TYR 567.A OH ASN 463.A OD1 no hydrogen 2.900 N/A TYR 567.A OH ASP 703.A OD1 no hydrogen 3.181 N/A SER 568.A N PRO 565.A O no hydrogen 2.779 N/A SER 568.A OG SER 568.A O no hydrogen 2.574 N/A TYR 571.A N GLU 45.A O no hydrogen 2.924 N/A LYS 573.A N THR 43.A O no hydrogen 3.456 N/A LYS 575.A NZ TYR 42.A O no hydrogen 2.602 N/A THR 579.A OG1 GLU 577.A O no hydrogen 3.475 N/A ARG 584.A N ILE 580.A O no hydrogen 3.163 N/A TYR 585.A N THR 581.A O no hydrogen 3.228 N/A SER 586.A N GLN 582.A O no hydrogen 2.773 N/A SER 586.A N ALA 583.A O no hydrogen 2.899 N/A SER 586.A OG GLN 582.A O no hydrogen 2.784 N/A GLU 587.A N GLU 587.A OE1 no hydrogen 2.837 N/A THR 588.A N TYR 585.A O no hydrogen 3.108 N/A THR 588.A OG1 ARG 584.A O no hydrogen 2.477 N/A LYS 590.A N GLU 587.A O no hydrogen 3.151 N/A ASN 593.A N LYS 590.A O no hydrogen 3.182 N/A GLU 595.A N GLU 595.A OE1 no hydrogen 2.932 N/A SER 597.A OG SER 597.A O no hydrogen 2.549 N/A SER 597.A OG ASN 647.A OD1 no hydrogen 2.626 N/A TYR 599.A N VAL 677.A O no hydrogen 2.763 N/A THR 600.A OG1 GLY 598.A O no hydrogen 3.484 N/A PHE 601.A N THR 675.A O no hydrogen 2.834 N/A LYS 612.A NZ ILE 613.A O no hydrogen 3.513 N/A ASN 617.A ND2 ILE 602.A O no hydrogen 3.175 N/A LEU 621.A N ASN 617.A O no hydrogen 2.912 N/A LEU 622.A N THR 618.A O no hydrogen 3.267 N/A ASN 623.A N GLU 619.A O no hydrogen 2.936 N/A PHE 624.A N PHE 620.A O no hydrogen 2.735 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.703 N/A ILE 628.A N PHE 624.A O no hydrogen 3.318 N/A ASP 629.A N ASN 625.A O no hydrogen 2.767 N/A ARG 630.A N GLU 626.A O no hydrogen 2.668 N/A ALA 633.A N ASN 632.A OD1 no hydrogen 2.566 N/A ASN 637.A N ALA 633.A O no hydrogen 2.956 N/A ASN 637.A ND2 LEU 576.A O no hydrogen 3.423 N/A ARG 638.A N ASP 634.A O no hydrogen 2.699 N/A ARG 638.A NH1 ASP 671.A OD1 no hydrogen 3.044 N/A ARG 638.A NH1 ASP 671.A OD2 no hydrogen 3.116 N/A ARG 638.A NH2 ASP 671.A OD1 no hydrogen 2.956 N/A VAL 639.A N LEU 635.A O no hydrogen 3.226 N/A ASP 642.A N ARG 638.A O no hydrogen 3.090 N/A ALA 643.A N VAL 639.A O no hydrogen 2.975 N/A GLY 644.A N LEU 640.A O no hydrogen 2.975 N/A PHE 645.A N LEU 641.A O no hydrogen 2.875 N/A THR 646.A N ASP 642.A O no hydrogen 2.617 N/A THR 646.A OG1 ASP 642.A O no hydrogen 2.971 N/A ASN 647.A N ALA 643.A O no hydrogen 2.800 N/A GLU 648.A N GLY 644.A O no hydrogen 2.822 N/A VAL 650.A N THR 646.A O no hydrogen 2.945 N/A GLN 651.A N ASN 647.A O no hydrogen 2.745 N/A GLN 651.A NE2 GLU 596.A O no hydrogen 2.261 N/A GLN 651.A NE2 GLU 596.A OE1 no hydrogen 2.586 N/A GLN 651.A NE2 ASN 647.A OD1 no hydrogen 3.481 N/A ASN 652.A N GLU 648.A O no hydrogen 2.945 N/A TYR 653.A N LEU 649.A O no hydrogen 3.012 N/A TRP 654.A N LEU 649.A O no hydrogen 3.239 N/A TRP 654.A NE1 SER 26.A O no hydrogen 2.355 N/A SER 655.A OG TYR 678.A OH no hydrogen 3.069 N/A VAL 663.A N ILE 660.A O no hydrogen 3.316 N/A LYS 664.A N LYS 749.A O no hydrogen 2.914 N/A PHE 667.A N GLY 747.A O no hydrogen 2.632 N/A VAL 668.A N ARG 676.A O no hydrogen 3.101 N/A VAL 669.A N VAL 745.A O no hydrogen 2.879 N/A THR 670.A N ILE 674.A O no hydrogen 3.276 N/A THR 670.A OG1 ILE 674.A O no hydrogen 3.451 N/A GLY 673.A N THR 670.A O no hydrogen 3.298 N/A THR 675.A N PHE 601.A O no hydrogen 3.247 N/A THR 675.A OG1 GLY 673.A O no hydrogen 3.381 N/A ARG 676.A N VAL 668.A O no hydrogen 3.129 N/A ARG 676.A NE THR 600.A OG1 no hydrogen 2.398 N/A ARG 676.A NH1 ALA 643.A O no hydrogen 2.866 N/A TYR 678.A N ARG 666.A O no hydrogen 3.136 N/A TYR 678.A OH SER 655.A OG no hydrogen 3.069 N/A GLU 684.A N GLU 681.A O no hydrogen 3.224 N/A ASN 685.A N ALA 682.A O no hydrogen 2.606 N/A TRP 686.A N GLY 683.A O no hydrogen 3.253 N/A THR 692.A OG1 THR 670.A O no hydrogen 3.492 N/A TYR 693.A OH LEU 460.A O no hydrogen 2.617 N/A GLU 694.A N GLU 691.A O no hydrogen 3.270 N/A ASP 695.A N THR 692.A O no hydrogen 3.074 N/A SER 696.A OG ASP 537.A OD2 no hydrogen 3.367 N/A LYS 699.A N ASP 695.A O no hydrogen 3.169 N/A ARG 700.A N SER 696.A O no hydrogen 2.774 N/A SER 701.A N PHE 697.A O no hydrogen 2.583 N/A SER 701.A OG PHE 697.A O no hydrogen 2.917 N/A SER 701.A OG SER 729.A OG no hydrogen 3.155 N/A LEU 702.A N TYR 698.A O no hydrogen 3.187 N/A ASP 703.A N ARG 700.A O no hydrogen 3.192 N/A VAL 708.A N SER 729.A O no hydrogen 3.126 N/A ALA 711.A N TYR 540.A OH no hydrogen 3.226 N/A ALA 721.A N SER 724.A OG no hydrogen 2.820 N/A GLU 723.A N GLU 723.A OE1 no hydrogen 2.459 N/A SER 724.A OG GLY 725.A O no hydrogen 3.450 N/A ILE 726.A N ILE 750.A O no hydrogen 2.655 N/A VAL 728.A N ILE 748.A O no hydrogen 2.593 N/A SER 729.A N VAL 708.A O no hydrogen 3.236 N/A SER 729.A OG SER 701.A OG no hydrogen 3.155 N/A LYS 730.A N VAL 746.A O no hydrogen 3.014 N/A VAL 732.A N ALA 744.A O no hydrogen 3.055 N/A ILE 734.A N LEU 741.A O no hydrogen 2.900 N/A ILE 736.A N LYS 739.A O no hydrogen 3.375 N/A GLN 737.A NE2 ILE 736.A O no hydrogen 2.490 N/A LEU 741.A N ILE 734.A O no hydrogen 2.869 N/A LYS 742.A NZ LEU 702.A O no hydrogen 2.673 N/A LYS 742.A NZ ASN 704.A O no hydrogen 3.409 N/A VAL 745.A N VAL 669.A O no hydrogen 2.789 N/A GLY 747.A N PHE 667.A O no hydrogen 2.760 N/A ILE 748.A N VAL 728.A O no hydrogen 2.792 N/A LYS 749.A N ALA 665.A O no hydrogen 2.759 N/A ILE 750.A N ILE 726.A O no hydrogen 2.654 N/A ASP 751.A N GLY 662.A O no hydrogen 3.138 N/A ASN 753.A N ASP 751.A OD1 no hydrogen 3.173 N/A SER 754.A OG GLY 662.A O no hydrogen 3.444 N/A SER 754.A OG ASP 751.A O no hydrogen 3.098 N/A TRP 755.A N ASP 751.A O no hydrogen 3.452 N/A ILE 756.A N VAL 752.A O no hydrogen 2.548 N/A ILE 756.A N ASN 753.A O no hydrogen 3.139 N/A PHE 759.A N TRP 755.A O no hydrogen 3.126 N/A THR 760.A N ILE 756.A O no hydrogen 2.789 N/A THR 760.A OG1 ILE 756.A O no hydrogen 3.008 N/A LYS 761.A N GLU 757.A O no hydrogen 2.525 N/A THR 762.A N PHE 759.A O no hydrogen 3.263 N/A THR 762.A OG1 PHE 759.A O no hydrogen 2.505 N/A VAL 764.A N ILE 864.A O no hydrogen 3.017 N/A ILE 765.A N MET 774.A O no hydrogen 2.866 N/A GLY 770.A N ASP 767.A O no hydrogen 2.979 N/A GLY 770.A N TYR 805.A OH no hydrogen 3.066 N/A PHE 771.A N ASP 767.A OD1 no hydrogen 3.141 N/A LEU 772.A N ARG 786.A O no hydrogen 3.064 N/A LEU 773.A N ILE 765.A O no hydrogen 3.380 N/A ALA 775.A N THR 781.A OG1 no hydrogen 2.830 N/A ASN 776.A N CYS 763.A O no hydrogen 2.789 N/A HIS 777.A N ASN 776.A OD1 no hydrogen 2.579 N/A ASP 779.A N HIS 777.A ND1 no hydrogen 2.926 N/A THR 781.A OG1 ALA 775.A O no hydrogen 2.447 N/A THR 781.A OG1 HIS 777.A O no hydrogen 2.948 N/A GLY 785.A N LEU 772.A O no hydrogen 2.833 N/A ARG 786.A NH1 GLN 783.A OE1 no hydrogen 2.274 N/A ARG 786.A NH2 GLU 790.A OE2 no hydrogen 2.698 N/A PHE 788.A N GLY 770.A O no hydrogen 2.353 N/A GLU 790.A N PHE 787.A O no hydrogen 2.847 N/A LEU 795.A N ASP 792.A O no hydrogen 2.960 N/A ARG 797.A N PRO 793.A O no hydrogen 3.102 N/A ARG 797.A NH1 ARG 872.A O no hydrogen 2.527 N/A ARG 797.A NH2 ARG 872.A O no hydrogen 2.609 N/A LEU 799.A N LEU 795.A O no hydrogen 2.486 N/A VAL 800.A N MET 796.A O no hydrogen 2.450 N/A ASN 801.A N HIS 798.A O no hydrogen 3.053 N/A SER 803.A OG SER 803.A O no hydrogen 2.363 N/A SER 803.A OG ASN 833.A OD1 no hydrogen 2.219 N/A ASN 808.A N GLN 828.A O no hydrogen 3.142 N/A LYS 809.A NZ THR 827.A OG1 no hydrogen 2.717 N/A SER 810.A N GLN 826.A O no hydrogen 3.235 N/A ASP 812.A N THR 824.A O no hydrogen 2.968 N/A GLN 814.A N ASP 812.A OD1 no hydrogen 3.050 N/A SER 815.A OG ASP 812.A O no hydrogen 3.333 N/A SER 815.A OG CYS 822.A O no hydrogen 2.927 N/A SER 815.A OG THR 824.A OG1 no hydrogen 2.713 N/A CYS 817.A N GLN 820.A O no hydrogen 2.957 N/A SER 821.A OG PRO 485.A O no hydrogen 3.183 N/A CYS 822.A N SER 815.A O no hydrogen 2.626 N/A CYS 822.A SG SER 815.A O no hydrogen 3.537 N/A THR 824.A N SER 815.A OG no hydrogen 3.345 N/A THR 824.A OG1 SER 815.A OG no hydrogen 2.713 N/A GLU 825.A N GLN 879.A O no hydrogen 3.191 N/A GLN 826.A NE2 GLU 878.A OE2 no hydrogen 3.218 N/A GLN 828.A N ASN 808.A O no hydrogen 3.202 N/A GLN 828.A NE2 GLU 538.A O no hydrogen 3.196 N/A PHE 830.A N ALA 806.A O no hydrogen 3.304 N/A LYS 836.A NZ ASP 834.A O no hydrogen 3.107 N/A PHE 838.A N GLY 853.A O no hydrogen 2.642 N/A GLY 840.A N PHE 851.A O no hydrogen 3.396 N/A LEU 842.A N ARG 849.A O no hydrogen 2.729 N/A CYS 844.A SG SER 794.A OG no hydrogen 3.369 N/A CYS 847.A SG SER 848.A O no hydrogen 3.142 N/A SER 848.A OG LEU 842.A O no hydrogen 3.074 N/A ARG 849.A N LEU 842.A O no hydrogen 3.388 N/A HIS 852.A N MET 865.A O no hydrogen 2.900 N/A GLY 853.A N PHE 838.A O no hydrogen 2.756 N/A GLU 854.A N PHE 863.A O no hydrogen 2.686 N/A LYS 855.A N LYS 836.A O no hydrogen 3.243 N/A LYS 855.A NZ ASN 833.A O no hydrogen 2.338 N/A LYS 855.A NZ SER 835.A O no hydrogen 3.154 N/A LEU 856.A N LEU 861.A O no hydrogen 3.334 N/A THR 859.A OG1 ASN 858.A O no hydrogen 2.501 N/A ASN 860.A N TYR 707.A O no hydrogen 3.240 N/A ASN 860.A ND2 ASP 768.A OD1 no hydrogen 2.737 N/A ASN 860.A ND2 ASP 768.A OD2 no hydrogen 3.292 N/A ILE 862.A N LEU 766.A O no hydrogen 2.363 N/A PHE 863.A N GLU 854.A O no hydrogen 2.898 N/A ILE 864.A N VAL 764.A O no hydrogen 3.220 N/A MET 865.A N HIS 852.A O no hydrogen 2.976 N/A GLU 867.A N ILE 850.A O no hydrogen 2.874 N/A LYS 869.A NZ TYR 780.A OH no hydrogen 2.959 N/A LEU 874.A N GLY 789.A O no hydrogen 3.101 N/A GLN 876.A NE2 THR 827.A O no hydrogen 3.114 N/A SER 881.A N ILE 823.A O no hydrogen 3.202 N/A SER 881.A OG GLU 825.A OE1 no hydrogen 3.154 N/A SER 881.A OG ASP 882.A O no hydrogen 3.000 N/A CYS 887.A SG CYS 257.A O no hydrogen 3.139 N/A ASP 888.A N ASN 885.A O no hydrogen 3.024 N/A MET 889.A N ASN 885.A O no hydrogen 3.145 N/A LYS 891.A N ASP 888.A O no hydrogen 3.147 N/A ARG 894.A NH2 ASP 504.A OD2 no hydrogen 2.594 N/A TYR 895.A OH ASP 521.A OD1 no hydrogen 3.088 N/A ARG 896.A NH1 ASN 472.A OD1 no hydrogen 2.927 N/A LYS 897.A N PRO 471.A O no hydrogen 3.111 N/A LEU 908.A N ASN 906.A OD1 no hydrogen 3.303 N/A GLU 909.A N VAL 907.A O no hydrogen 2.735 N/A ASP 910.A N GLN 436.A OE1 no hydrogen 3.371 N/A CYS 914.A SG GLN 354.A O no hydrogen 3.130 N/A