Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sma_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 93.A OE1 no hydrogen 3.203 N/A HIS 7.A N GLN 28.A O no hydrogen 2.932 N/A HIS 8.A N TYR 97.A OH no hydrogen 3.041 N/A HIS 8.A ND1 ARG 26.A O no hydrogen 2.913 N/A HIS 8.A NE2 TYR 84.A OH no hydrogen 2.691 N/A ALA 15.A N ASP 12.A O no hydrogen 3.278 N/A TYR 16.A N HIS 24.A O no hydrogen 3.187 N/A TYR 18.A N THR 22.A O no hydrogen 2.944 N/A TYR 18.A OH GLU 414.A OE2 no hydrogen 2.692 N/A GLU 21.A N ASP 19.A OD1 no hydrogen 2.974 N/A THR 22.A OG1 ASP 19.A OD1 no hydrogen 2.466 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.963 N/A LEU 23.A N VAL 75.A O no hydrogen 2.765 N/A HIS 24.A N TYR 16.A O no hydrogen 2.850 N/A LEU 25.A N ALA 73.A O no hydrogen 3.014 N/A ARG 26.A N PHE 14.A O no hydrogen 2.811 N/A ARG 26.A NH1 HIS 406.A O no hydrogen 3.072 N/A ARG 26.A NH2 TYR 408.A O no hydrogen 2.787 N/A LEU 27.A N TRP 71.A O no hydrogen 3.252 N/A GLN 28.A N HIS 7.A O no hydrogen 3.247 N/A THR 29.A OG1 LYS 30.A O no hydrogen 3.074 N/A ASP 33.A N LYS 30.A O no hydrogen 3.509 N/A GLU 38.A N VAL 87.A O no hydrogen 2.907 N/A LEU 39.A N MET 57.A O no hydrogen 2.586 N/A LEU 40.A N GLY 85.A O no hydrogen 2.774 N/A PHE 41.A N GLN 55.A O no hydrogen 3.021 N/A GLY 42.A N ARG 83.A O no hydrogen 3.247 N/A TYR 45.A N ASP 43.A OD2 no hydrogen 3.195 N/A GLU 46.A N ASP 43.A O no hydrogen 2.961 N/A HIS 48.A N ALA 51.A O no hydrogen 2.856 N/A ALA 51.A N HIS 48.A O no hydrogen 2.957 N/A TRP 52.A N SER 108.A O no hydrogen 2.758 N/A TRP 52.A NE1 ASP 43.A O no hydrogen 2.625 N/A GLN 53.A N GLU 46.A O no hydrogen 2.684 N/A GLN 55.A N PHE 41.A O no hydrogen 3.006 N/A THR 56.A OG1 LEU 39.A O no hydrogen 3.308 N/A MET 57.A N LEU 39.A O no hydrogen 2.926 N/A MET 59.A N VAL 37.A O no hydrogen 3.263 N/A THR 62.A N TYR 70.A O no hydrogen 3.254 N/A PHE 68.A N ASP 65.A OD1 no hydrogen 2.970 N/A ASP 69.A N THR 29.A O no hydrogen 3.040 N/A TYR 70.A OH ASP 65.A OD2 no hydrogen 2.623 N/A TRP 71.A N LEU 27.A O no hydrogen 2.704 N/A LEU 72.A N ARG 60.A O no hydrogen 3.039 N/A VAL 75.A N LEU 23.A O no hydrogen 3.161 N/A LYS 76.A NZ GLU 21.A OE2 no hydrogen 2.688 N/A ARG 80.A N PRO 77.A O no hydrogen 3.168 N/A ARG 81.A NH1 ASP 43.A OD1 no hydrogen 3.064 N/A LEU 82.A N PHE 117.A O no hydrogen 3.190 N/A ARG 83.A N GLY 42.A O no hydrogen 2.918 N/A ARG 83.A NH1 TYR 114.A O no hydrogen 2.757 N/A TYR 84.A N PHE 115.A O no hydrogen 2.915 N/A TYR 84.A OH HIS 8.A NE2 no hydrogen 2.691 N/A GLY 85.A N LEU 40.A O no hydrogen 2.850 N/A PHE 86.A N TYR 97.A O no hydrogen 2.913 N/A VAL 87.A N GLU 38.A O no hydrogen 2.836 N/A ALA 90.A N GLU 93.A O no hydrogen 3.237 N/A LYS 94.A NZ GLU 105.A OE2 no hydrogen 3.480 N/A LEU 95.A N LEU 88.A O no hydrogen 3.337 N/A THR 98.A N GLY 101.A O no hydrogen 2.775 N/A THR 98.A OG1 GLY 101.A O no hydrogen 2.721 N/A THR 98.A OG1 TYR 113.A O no hydrogen 3.285 N/A LYS 100.A N THR 98.A OG1 no hydrogen 3.142 N/A LYS 100.A N TYR 113.A O no hydrogen 3.093 N/A LYS 100.A NZ ALA 112.A O no hydrogen 2.836 N/A GLY 101.A N THR 98.A OG1 no hydrogen 2.907 N/A ALA 106.A N GLU 105.A OE2 no hydrogen 3.298 N/A ALA 112.A N ASP 110.A OD1 no hydrogen 3.143 N/A TYR 113.A OH ASP 109.A OD1 no hydrogen 2.946 N/A TYR 113.A OH ASP 109.A OD2 no hydrogen 3.096 N/A TYR 114.A N THR 111.A O no hydrogen 2.965 N/A TYR 114.A OH PRO 107.A O no hydrogen 2.535 N/A PHE 115.A N TYR 84.A O no hydrogen 2.760 N/A CYS 116.A SG LEU 82.A O no hydrogen 3.942 N/A PHE 117.A N LEU 82.A O no hydrogen 2.888 N/A LEU 120.A N ARG 80.A O no hydrogen 2.940 N/A ASP 124.A N HIS 121.A O no hydrogen 3.069 N/A LEU 125.A N ARG 122.A O no hydrogen 2.811 N/A TRP 131.A NE1 ASP 351.A O no hydrogen 2.870 N/A LYS 133.A N ASP 130.A O no hydrogen 3.429 N/A ASP 134.A N TRP 131.A O no hydrogen 3.056 N/A VAL 136.A N THR 191.A OG1 no hydrogen 3.291 N/A TRP 137.A N PRO 453.A O no hydrogen 2.706 N/A TYR 138.A N GLY 192.A O no hydrogen 2.977 N/A TYR 138.A OH TYR 457.A O no hydrogen 3.136 N/A TYR 138.A OH GLU 460.A OE2 no hydrogen 2.658 N/A GLN 139.A N ILE 455.A O no hydrogen 2.861 N/A ILE 140.A N TYR 194.A O no hydrogen 3.099 N/A ARG 144.A N PHE 141.A O no hydrogen 2.680 N/A ARG 144.A NE GLU 143.A OE1 no hydrogen 2.785 N/A ARG 144.A NH1 ARG 472.A O no hydrogen 3.423 N/A ARG 144.A NH2 GLU 143.A OE1 no hydrogen 3.237 N/A PHE 145.A N PRO 142.A O no hydrogen 3.332 N/A GLY 148.A N ASP 174.A OD2 no hydrogen 2.935 N/A SER 169.A OG PHE 170.A O no hydrogen 3.360 N/A PHE 171.A N GLU 143.A OE1 no hydrogen 3.156 N/A PHE 171.A N GLU 143.A OE2 no hydrogen 2.726 N/A GLY 172.A N GLU 143.A OE2 no hydrogen 3.075 N/A ASP 174.A N ALA 146.A O no hydrogen 3.383 N/A LEU 175.A N PHE 219.A O no hydrogen 3.002 N/A GLY 177.A N ASP 174.A O no hydrogen 3.133 N/A GLY 177.A N ASP 174.A OD1 no hydrogen 3.077 N/A ILE 179.A N LEU 175.A O no hydrogen 3.318 N/A ASP 180.A N GLN 176.A O no hydrogen 3.194 N/A ASP 180.A N GLY 177.A O no hydrogen 2.853 N/A HIS 181.A N GLY 177.A O no hydrogen 3.111 N/A TYR 184.A N HIS 181.A O no hydrogen 3.013 N/A TYR 184.A OH GLU 460.A OE2 no hydrogen 2.766 N/A ALA 186.A N LEU 182.A O no hydrogen 2.976 N/A ASP 187.A N TYR 184.A O no hydrogen 3.179 N/A LEU 188.A N TYR 184.A O no hydrogen 2.958 N/A GLY 189.A N LEU 185.A O no hydrogen 2.767 N/A THR 191.A N VAL 136.A O no hydrogen 3.104 N/A ILE 193.A N ARG 238.A O no hydrogen 2.839 N/A TYR 194.A N TYR 138.A O no hydrogen 3.033 N/A TYR 194.A OH ASP 242.A OD2 no hydrogen 3.163 N/A LEU 195.A N MET 240.A O no hydrogen 2.980 N/A THR 196.A N ILE 140.A O no hydrogen 3.315 N/A ARG 200.A N GLU 214.A O no hydrogen 2.590 N/A ARG 200.A NE GLU 214.A OE1 no hydrogen 2.776 N/A ARG 200.A NE GLU 214.A OE2 no hydrogen 2.934 N/A ARG 200.A NH2 GLU 214.A OE1 no hydrogen 3.188 N/A SER 203.A N ALA 201.A O no hydrogen 2.871 N/A SER 203.A OG HIS 205.A O no hydrogen 2.828 N/A HIS 205.A N SER 203.A OG no hydrogen 3.007 N/A LYS 206.A NZ SER 203.A O no hydrogen 3.247 N/A LYS 206.A NZ ASP 216.A OD2 no hydrogen 2.503 N/A TYR 207.A N HIS 205.A O no hydrogen 2.787 N/A TYR 207.A OH ASP 242.A OD2 no hydrogen 3.267 N/A ALA 210.A N ARG 200.A O no hydrogen 2.917 N/A TYR 212.A OH VAL 244.A O no hydrogen 3.101 N/A PHE 213.A N ASP 211.A OD1 no hydrogen 2.854 N/A GLU 214.A N ASP 211.A O no hydrogen 3.016 N/A ASP 216.A N ILE 198.A O no hydrogen 3.062 N/A PHE 219.A N ASP 216.A O no hydrogen 2.741 N/A GLY 220.A N ASP 216.A O no hydrogen 3.299 N/A GLY 220.A N PRO 217.A O no hydrogen 2.689 N/A THR 224.A OG1 ASP 221.A OD1 no hydrogen 3.359 N/A LEU 225.A N ASP 221.A O no hydrogen 2.914 N/A LYS 226.A N LYS 222.A O no hydrogen 2.653 N/A THR 227.A N GLU 223.A O no hydrogen 2.945 N/A THR 227.A N THR 224.A O no hydrogen 3.187 N/A THR 227.A OG1 GLU 223.A O no hydrogen 2.648 N/A THR 227.A OG1 THR 224.A O no hydrogen 3.288 N/A LEU 228.A N THR 224.A O no hydrogen 3.092 N/A VAL 229.A N LEU 225.A O no hydrogen 3.089 N/A LYS 230.A N LYS 226.A O no hydrogen 3.167 N/A ARG 231.A N THR 227.A O no hydrogen 2.766 N/A CYS 232.A N LEU 228.A O no hydrogen 2.961 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.175 N/A HIS 233.A N VAL 229.A O no hydrogen 2.834 N/A GLU 234.A N LYS 230.A O no hydrogen 2.933 N/A LYS 235.A N ARG 231.A O no hydrogen 2.959 N/A LYS 235.A NZ ASP 183.A OD1 no hydrogen 3.359 N/A GLY 236.A N CYS 232.A O no hydrogen 2.687 N/A GLY 236.A N HIS 233.A O no hydrogen 3.303 N/A ILE 237.A N CYS 232.A O no hydrogen 2.805 N/A ARG 238.A N THR 191.A O no hydrogen 3.316 N/A VAL 239.A N ASP 323.A OD2 no hydrogen 2.956 N/A MET 240.A N ILE 193.A O no hydrogen 2.796 N/A ALA 243.A N ARG 326.A O no hydrogen 2.596 N/A ASN 246.A ND2 HIS 247.A ND1 no hydrogen 3.213 N/A ASN 246.A ND2 GLU 332.A OE1 no hydrogen 3.301 N/A CYS 248.A N PRO 296.A O no hydrogen 3.183 N/A CYS 248.A SG GLY 249.A O no hydrogen 3.825 N/A CYS 248.A SG PRO 296.A O no hydrogen 3.837 N/A GLY 249.A N THR 209.A O no hydrogen 2.813 N/A TYR 250.A N ASP 208.A OD1 no hydrogen 3.103 N/A PHE 252.A N GLY 249.A O no hydrogen 2.848 N/A GLN 256.A N PHE 252.A O no hydrogen 2.773 N/A ASP 257.A N ALA 253.A O no hydrogen 2.744 N/A VAL 258.A N PHE 255.A O no hydrogen 2.922 N/A LEU 259.A N GLN 256.A O no hydrogen 3.337 N/A ALA 264.A N ASN 261.A O no hydrogen 3.258 N/A SER 265.A N GLY 262.A O no hydrogen 3.034 N/A LYS 268.A N SER 265.A O no hydrogen 3.160 N/A ASN 285.A ND2 PHE 276.A O no hydrogen 3.305 N/A TYR 286.A OH PRO 293.A O no hydrogen 2.686 N/A ASP 287.A N HIS 272.A O no hydrogen 3.198 N/A PHE 289.A N MET 295.A O no hydrogen 3.102 N/A LYS 297.A N ASP 287.A O no hydrogen 2.733 N/A LYS 297.A NZ ASN 246.A OD1 no hydrogen 3.112 N/A LYS 297.A NZ GLU 332.A O no hydrogen 2.896 N/A LEU 298.A N ASN 246.A O no hydrogen 3.209 N/A ASN 299.A N TRP 270.A O no hydrogen 2.956 N/A THR 300.A OG1 ASP 334.A OD2 no hydrogen 3.052 N/A HIS 302.A N ASN 299.A O no hydrogen 3.060 N/A HIS 302.A ND1 ASP 269.A O no hydrogen 3.177 N/A LYS 306.A N HIS 302.A O no hydrogen 2.761 N/A LYS 306.A NZ THR 300.A O no hydrogen 2.586 N/A ARG 307.A N PRO 303.A O no hydrogen 2.914 N/A TYR 308.A N GLU 304.A O no hydrogen 2.763 N/A TYR 308.A N VAL 305.A O no hydrogen 2.682 N/A LEU 309.A N VAL 305.A O no hydrogen 3.080 N/A LEU 310.A N LYS 306.A O no hydrogen 3.326 N/A ASP 311.A N TYR 308.A O no hydrogen 2.772 N/A VAL 312.A N TYR 308.A O no hydrogen 2.998 N/A VAL 312.A N LEU 309.A O no hydrogen 2.945 N/A ALA 313.A N LEU 309.A O no hydrogen 2.781 N/A THR 314.A OG1 LEU 310.A O no hydrogen 3.330 N/A THR 314.A OG1 ASP 311.A O no hydrogen 3.172 N/A TYR 315.A N ASP 311.A O no hydrogen 3.075 N/A TYR 315.A N VAL 312.A O no hydrogen 3.199 N/A TRP 316.A NE1 TYR 212.A O no hydrogen 2.793 N/A ILE 317.A N THR 314.A O no hydrogen 3.304 N/A ARG 318.A N THR 314.A O no hydrogen 2.990 N/A ARG 318.A N TYR 315.A O no hydrogen 2.845 N/A GLU 319.A N TYR 315.A O no hydrogen 2.758 N/A ASP 323.A N VAL 239.A O no hydrogen 2.929 N/A TRP 325.A N TYR 353.A O no hydrogen 2.673 N/A TRP 325.A NE1 ALA 313.A O no hydrogen 2.797 N/A ARG 326.A N LEU 241.A O no hydrogen 2.755 N/A ARG 326.A NE ASP 242.A OD1 no hydrogen 2.924 N/A ARG 326.A NH2 ASP 242.A OD1 no hydrogen 3.197 N/A ARG 326.A NH2 ASP 242.A OD2 no hydrogen 2.751 N/A LEU 327.A N LEU 355.A O no hydrogen 2.716 N/A ASP 328.A N ALA 243.A O no hydrogen 2.979 N/A ASN 331.A ND2 HIS 360.A NE2 no hydrogen 3.139 N/A GLU 332.A N VAL 329.A O no hydrogen 3.323 N/A ILE 333.A N ALA 330.A O no hydrogen 3.305 N/A PHE 337.A N ASP 334.A OD1 no hydrogen 2.866 N/A TRP 338.A NE1 ALA 330.A O no hydrogen 2.856 N/A ARG 339.A N HIS 335.A O no hydrogen 3.402 N/A ARG 339.A N GLN 336.A O no hydrogen 3.189 N/A PHE 341.A N PHE 337.A O no hydrogen 2.774 N/A ARG 342.A N TRP 338.A O no hydrogen 2.805 N/A ARG 342.A NE GLN 370.A O no hydrogen 2.965 N/A GLN 343.A N ARG 339.A O no hydrogen 3.121 N/A ALA 344.A N GLU 340.A O no hydrogen 3.063 N/A VAL 345.A N PHE 341.A O no hydrogen 3.095 N/A LYS 346.A N ARG 342.A O no hydrogen 2.941 N/A LYS 346.A NZ PRO 350.A O no hydrogen 3.512 N/A LYS 346.A NZ VAL 352.A O no hydrogen 3.323 N/A LYS 346.A NZ ASP 372.A OD1 no hydrogen 3.252 N/A LYS 346.A NZ ASP 372.A OD2 no hydrogen 2.787 N/A ALA 347.A N ALA 344.A O no hydrogen 3.031 N/A LEU 348.A N ALA 344.A O no hydrogen 2.991 N/A LYS 349.A N VAL 345.A O no hydrogen 2.977 N/A LYS 349.A NZ ASP 321.A O no hydrogen 2.698 N/A LYS 349.A NZ ASP 321.A OD1 no hydrogen 3.281 N/A LYS 349.A NZ ILE 322.A O no hydrogen 2.574 N/A LYS 349.A NZ ASP 323.A OD1 no hydrogen 2.795 N/A VAL 352.A N LYS 349.A O no hydrogen 2.797 N/A TYR 353.A N ASP 323.A O no hydrogen 2.846 N/A TYR 353.A OH ALA 415.A O no hydrogen 2.930 N/A ILE 354.A N ASP 372.A OD2 no hydrogen 3.121 N/A LEU 355.A N TRP 325.A O no hydrogen 2.841 N/A GLY 356.A N ALA 373.A O no hydrogen 3.006 N/A GLU 357.A N LEU 327.A O no hydrogen 2.974 N/A TRP 359.A NE1 GLU 357.A OE1 no hydrogen 2.867 N/A HIS 360.A ND1 ASP 361.A O no hydrogen 2.709 N/A ALA 362.A N TYR 408.A OH no hydrogen 2.918 N/A MET 363.A N ASP 361.A OD1 no hydrogen 2.989 N/A TRP 365.A N ALA 362.A O no hydrogen 2.890 N/A LEU 366.A N ALA 362.A O no hydrogen 3.043 N/A LEU 366.A N MET 363.A O no hydrogen 2.963 N/A ARG 367.A NH1 ASP 12.A OD1 no hydrogen 2.627 N/A GLN 370.A NE2 PRO 364.A O no hydrogen 3.114 N/A GLN 370.A NE2 ASP 369.A OD1 no hydrogen 2.894 N/A PHE 371.A N TRP 365.A O no hydrogen 3.239 N/A ASP 372.A N ILE 354.A O no hydrogen 2.890 N/A MET 375.A N GLY 356.A O no hydrogen 2.946 N/A LEU 379.A N ASN 376.A OD1 no hydrogen 2.953 N/A ASP 381.A N TYR 377.A O no hydrogen 2.914 N/A ALA 382.A N PRO 378.A O no hydrogen 3.166 N/A ALA 383.A N LEU 379.A O no hydrogen 2.862 N/A LEU 384.A N ALA 380.A O no hydrogen 2.811 N/A ARG 385.A N ASP 381.A O no hydrogen 2.916 N/A PHE 386.A N ALA 382.A O no hydrogen 3.053 N/A PHE 386.A N ALA 383.A O no hydrogen 3.042 N/A PHE 387.A N ALA 383.A O no hydrogen 2.915 N/A ALA 388.A N LEU 384.A O no hydrogen 3.043 N/A LYS 389.A N LEU 384.A O no hydrogen 2.896 N/A ASP 391.A N ARG 385.A O no hydrogen 2.709 N/A ALA 394.A N VAL 517.A O no hydrogen 3.081 N/A SER 395.A N SER 393.A OG no hydrogen 2.760 N/A GLU 396.A N SER 393.A OG no hydrogen 3.275 N/A PHE 397.A N SER 393.A O no hydrogen 2.962 N/A ALA 398.A N ALA 394.A O no hydrogen 3.095 N/A ASP 399.A N SER 395.A O no hydrogen 2.907 N/A ARG 400.A N GLU 396.A O no hydrogen 2.817 N/A LEU 401.A N PHE 397.A O no hydrogen 2.913 N/A MET 402.A N ALA 398.A O no hydrogen 2.877 N/A HIS 403.A N ASP 399.A O no hydrogen 2.693 N/A HIS 403.A ND1 ASP 65.A OD2 no hydrogen 2.774 N/A VAL 404.A N ARG 400.A O no hydrogen 3.308 N/A LEU 405.A N LEU 401.A O no hydrogen 3.201 N/A HIS 406.A N MET 402.A O no hydrogen 3.310 N/A HIS 406.A N HIS 403.A O no hydrogen 2.661 N/A SER 407.A N HIS 403.A O no hydrogen 3.212 N/A SER 407.A OG VAL 404.A O no hydrogen 3.048 N/A LYS 410.A N TYR 16.A OH no hydrogen 3.173 N/A LYS 410.A NZ GLU 414.A OE2 no hydrogen 3.417 N/A LYS 410.A NZ ASP 507.A OD1 no hydrogen 2.892 N/A GLN 411.A NE2 ALA 17.A O no hydrogen 3.084 N/A GLN 411.A NE2 TYR 18.A O no hydrogen 2.768 N/A GLN 411.A NE2 PHE 126.A O no hydrogen 3.333 N/A VAL 412.A N PRO 409.A O no hydrogen 2.748 N/A ASN 413.A N PRO 409.A O no hydrogen 3.466 N/A ASN 413.A ND2 LEU 405.A O no hydrogen 2.624 N/A GLU 414.A N LYS 410.A O no hydrogen 2.863 N/A ALA 415.A N VAL 412.A O no hydrogen 3.169 N/A ALA 416.A N ASN 413.A O no hydrogen 2.950 N/A ASN 418.A N ALA 416.A O no hydrogen 2.959 N/A ASP 424.A N SER 422.A OG no hydrogen 3.102 N/A THR 425.A N SER 422.A O no hydrogen 2.896 N/A THR 425.A OG1 PRO 426.A O no hydrogen 3.214 N/A ARG 427.A NH1 TYR 456.A O no hydrogen 3.271 N/A THR 430.A OG1 ARG 427.A O no hydrogen 3.525 N/A VAL 431.A N ARG 427.A O no hydrogen 2.963 N/A CYS 432.A N LEU 429.A O no hydrogen 2.827 N/A CYS 432.A SG LEU 428.A O no hydrogen 3.409 N/A GLY 433.A N THR 430.A O no hydrogen 3.219 N/A GLY 434.A N LEU 429.A O no hydrogen 3.156 N/A ASP 435.A N CYS 432.A O no hydrogen 3.360 N/A VAL 436.A N GLY 434.A O no hydrogen 3.033 N/A ARG 437.A N ASP 435.A OD1 no hydrogen 2.880 N/A ARG 437.A NE ASP 435.A OD1 no hydrogen 2.933 N/A ARG 437.A NE ASP 435.A OD2 no hydrogen 3.309 N/A ARG 437.A NH2 ASP 435.A OD2 no hydrogen 2.594 N/A LYS 438.A N ASP 435.A O no hydrogen 2.750 N/A LYS 438.A NZ GLU 390.A OE2 no hydrogen 3.039 N/A LYS 440.A N VAL 436.A O no hydrogen 3.219 N/A LEU 441.A N LYS 438.A O no hydrogen 2.681 N/A LEU 442.A N LYS 438.A O no hydrogen 2.893 N/A PHE 443.A N VAL 439.A O no hydrogen 3.045 N/A LEU 444.A N LYS 440.A O no hydrogen 3.199 N/A PHE 445.A N LEU 441.A O no hydrogen 2.870 N/A GLN 446.A N LEU 442.A O no hydrogen 2.969 N/A GLN 446.A NE2 ASN 418.A O no hydrogen 2.927 N/A GLN 446.A NE2 CYS 454.A O no hydrogen 3.142 N/A LEU 447.A N PHE 443.A O no hydrogen 3.042 N/A THR 448.A N PHE 445.A O no hydrogen 2.793 N/A PHE 449.A N GLN 446.A O no hydrogen 2.853 N/A THR 450.A OG1 GLY 506.A O no hydrogen 2.655 N/A GLY 451.A N ARG 504.A O no hydrogen 3.181 N/A SER 452.A N ALA 416.A O no hydrogen 2.675 N/A CYS 454.A SG ILE 455.A O no hydrogen 3.905 N/A ILE 455.A N TRP 137.A O no hydrogen 2.611 N/A TYR 456.A OH CYS 471.A O no hydrogen 2.955 N/A TYR 457.A N GLN 139.A O no hydrogen 3.321 N/A TYR 457.A OH LYS 473.A O no hydrogen 2.936 N/A ASP 459.A N TYR 456.A O no hydrogen 2.730 N/A ILE 461.A N GLY 458.A O no hydrogen 3.150 N/A GLU 470.A N ASN 467.A O no hydrogen 3.105 N/A CYS 471.A SG HIS 423.A O no hydrogen 3.123 N/A ARG 472.A N PRO 469.A O no hydrogen 2.905 N/A ARG 472.A NE ASP 468.A OD2 no hydrogen 2.883 N/A ARG 472.A NH2 ASP 468.A OD2 no hydrogen 2.666 N/A LYS 473.A NZ SER 162.A O no hydrogen 3.487 N/A LYS 473.A NZ THR 464.A O no hydrogen 3.295 N/A MET 475.A N ARG 144.A O no hydrogen 2.881 N/A TRP 477.A NE1 PHE 145.A O no hydrogen 2.770 N/A GLU 480.A N ASP 478.A OD1 no hydrogen 3.508 N/A GLN 482.A N ASP 478.A O no hydrogen 2.884 N/A GLN 482.A NE2 VAL 476.A O no hydrogen 2.635 N/A LYS 484.A NZ GLU 488.A OE1 no hydrogen 3.206 N/A LEU 486.A N ASN 483.A OD1 no hydrogen 2.803 N/A TYR 487.A N ASN 483.A O no hydrogen 2.993 N/A TYR 487.A OH ASP 187.A OD1 no hydrogen 2.423 N/A GLU 488.A N LYS 484.A O no hydrogen 2.769 N/A HIS 489.A N GLU 485.A O no hydrogen 3.190 N/A HIS 489.A NE2 LYS 440.A O no hydrogen 2.909 N/A VAL 490.A N LEU 486.A O no hydrogen 3.035 N/A LYS 491.A N TYR 487.A O no hydrogen 3.031 N/A LYS 491.A NZ ASP 187.A OD1 no hydrogen 3.074 N/A LYS 491.A NZ ASP 187.A OD2 no hydrogen 2.908 N/A GLN 492.A N GLU 488.A O no hydrogen 3.117 N/A GLN 492.A N HIS 489.A O no hydrogen 3.136 N/A LEU 493.A N HIS 489.A O no hydrogen 3.195 N/A ILE 494.A N VAL 490.A O no hydrogen 3.017 N/A LEU 496.A N GLN 492.A O no hydrogen 2.953 N/A ARG 497.A N LEU 493.A O no hydrogen 2.797 N/A ARG 497.A NE LEU 447.A O no hydrogen 3.192 N/A ARG 497.A NH1 GLY 451.A O no hydrogen 3.360 N/A LYS 498.A N ILE 494.A O no hydrogen 2.967 N/A GLN 499.A N ALA 495.A O no hydrogen 3.099 N/A TYR 500.A N LEU 496.A O no hydrogen 3.055 N/A ARG 501.A NE ASP 526.A OD2 no hydrogen 3.330 N/A ALA 502.A N GLU 529.A OE2 no hydrogen 3.182 N/A LEU 503.A N TYR 500.A O no hydrogen 2.872 N/A ARG 504.A N ARG 501.A O no hydrogen 2.755 N/A ARG 504.A NE ASP 134.A OD1 no hydrogen 2.859 N/A ARG 504.A NH1 ARG 497.A O no hydrogen 3.176 N/A ARG 505.A N ARG 501.A O no hydrogen 2.955 N/A ARG 505.A NH1 ASP 130.A OD1 no hydrogen 2.986 N/A ARG 505.A NH2 ASP 130.A O no hydrogen 3.413 N/A ARG 505.A NH2 ASP 130.A OD1 no hydrogen 3.340 N/A ARG 505.A NH2 ASP 130.A OD2 no hydrogen 3.523 N/A ARG 505.A NH2 ASP 134.A OD2 no hydrogen 2.714 N/A GLY 506.A N THR 450.A OG1 no hydrogen 3.181 N/A ASP 507.A N THR 525.A O no hydrogen 2.741 N/A LEU 511.A N VAL 521.A O no hydrogen 2.702 N/A THR 512.A OG1 ALA 513.A O no hydrogen 3.557 N/A VAL 517.A N ASP 515.A O no hydrogen 2.841 N/A HIS 519.A N GLU 516.A O no hydrogen 3.459 N/A LEU 520.A N ILE 535.A O no hydrogen 3.234 N/A TYR 522.A N ILE 533.A O no hydrogen 3.232 N/A ALA 523.A N ALA 509.A O no hydrogen 3.082 N/A LYS 524.A N VAL 531.A O no hydrogen 3.134 N/A LYS 524.A NZ THR 448.A O no hydrogen 2.799 N/A LYS 524.A NZ THR 450.A OG1 no hydrogen 3.173 N/A LYS 524.A NZ ALA 502.A O no hydrogen 2.813 N/A THR 525.A N ASP 507.A O no hydrogen 2.915 N/A THR 525.A OG1 ASP 507.A O no hydrogen 3.149 N/A THR 525.A OG1 ALA 523.A O no hydrogen 3.515 N/A ASP 526.A N GLU 529.A O no hydrogen 3.107 N/A GLU 529.A N ASP 526.A O no hydrogen 3.229 N/A THR 530.A OG1 ASN 528.A O no hydrogen 3.351 N/A VAL 531.A N LYS 524.A O no hydrogen 2.881 N/A MET 532.A N TYR 583.A O no hydrogen 2.776 N/A ILE 533.A N TYR 522.A O no hydrogen 2.870 N/A ILE 534.A N VAL 581.A O no hydrogen 3.030 N/A ASN 536.A N GLY 579.A O no hydrogen 3.287 N/A ASN 536.A ND2 GLU 540.A O no hydrogen 3.286 N/A ASN 536.A ND2 PRO 576.A O no hydrogen 2.998 N/A ARG 537.A N ASN 518.A O no hydrogen 3.129 N/A ARG 537.A NE PHE 386.A O no hydrogen 3.028 N/A ARG 537.A NH1 ARG 537.A O no hydrogen 2.944 N/A SER 538.A N ASN 536.A O no hydrogen 2.770 N/A ALA 542.A N LEU 575.A O no hydrogen 2.836 N/A MET 546.A N LEU 571.A O no hydrogen 3.237 N/A ARG 551.A N ASP 549.A OD2 no hydrogen 3.272 N/A GLY 552.A N ASP 549.A O no hydrogen 2.815 N/A ASN 557.A N GLU 562.A O no hydrogen 2.890 N/A LEU 558.A N LEU 582.A O no hydrogen 3.209 N/A GLY 561.A N ASN 557.A O no hydrogen 3.032 N/A GLU 562.A N THR 560.A OG1 no hydrogen 2.999 N/A LEU 571.A N MET 546.A O no hydrogen 2.721 N/A VAL 573.A N ILE 544.A O no hydrogen 2.691 N/A LEU 575.A N ALA 542.A O no hydrogen 2.833 N/A TYR 578.A OH GLU 390.A OE1 no hydrogen 3.232 N/A GLY 579.A N PRO 576.A O no hydrogen 2.917 N/A VAL 581.A N ILE 534.A O no hydrogen 3.269 N/A TYR 583.A N MET 532.A O no hydrogen 3.061 N/A ALA 584.A N VAL 556.A O no hydrogen 3.074 N/A GLU 586.A N TRP 554.A O no hydrogen 3.271 N/A TRP 588.A N ARG 551.A O no hydrogen 2.589 N/A