Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sgb_F1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N GLU 25.A O no hydrogen 2.922 N/A THR 20.A N SER 18.A OG no hydrogen 3.427 N/A THR 20.A OG1 SER 18.A OG no hydrogen 2.694 N/A LYS 24.A NZ THR 20.A O no hydrogen 3.332 N/A GLU 25.A N HIS 6.A O no hydrogen 3.156 N/A THR 26.A OG1 SER 28.A OG no hydrogen 3.029 N/A TRP 27.A NE1 GLY 3.A O no hydrogen 3.004 N/A SER 28.A N THR 26.A OG1 no hydrogen 2.962 N/A SER 28.A OG THR 26.A OG1 no hydrogen 3.029 N/A PHE 30.A N THR 26.A O no hydrogen 2.715 N/A SER 31.A N TRP 27.A O no hydrogen 3.086 N/A THR 32.A OG1 SER 28.A O no hydrogen 2.838 N/A LYS 33.A N GLN 29.A O no hydrogen 3.359 N/A MET 34.A N PHE 30.A O no hydrogen 3.227 N/A ARG 35.A N SER 31.A O no hydrogen 3.239 N/A ARG 35.A NE SER 31.A O no hydrogen 2.766 N/A ARG 35.A NE SER 31.A OG no hydrogen 3.397 N/A TYR 36.A N THR 32.A O no hydrogen 2.815 N/A GLY 37.A N LYS 33.A O no hydrogen 2.976 N/A ARG 39.A NH1 TYR 36.A O no hydrogen 3.449 N/A SER 51.A N ASP 254.A OD2 no hydrogen 3.097 N/A SER 51.A OG ASP 254.A OD2 no hydrogen 2.810 N/A TYR 52.A N ARG 231.A O no hydrogen 2.970 N/A GLN 55.A N SER 51.A O no hydrogen 3.067 N/A MET 56.A N TYR 52.A O no hydrogen 3.061 N/A LEU 57.A N GLU 53.A O no hydrogen 3.164 N/A ARG 58.A N TYR 54.A O no hydrogen 3.049 N/A LYS 59.A N GLN 55.A O no hydrogen 3.376 N/A MET 60.A N MET 56.A O no hydrogen 2.938 N/A CYS 61.A N LEU 57.A O no hydrogen 3.388 N/A CYS 61.A SG LEU 57.A O no hydrogen 3.256 N/A CYS 61.A SG GLU 705.A OE2 no hydrogen 3.844 N/A ARG 64.A NH1 ASP 692.A OD1 no hydrogen 2.786 N/A MET 67.A N ARG 64.A O no hydrogen 2.854 N/A ARG 68.A NE MET 60.A O no hydrogen 2.960 N/A ARG 68.A NH1 GLU 712.A OE1 no hydrogen 2.983 N/A GLN 69.A NE2 ALA 66.A O no hydrogen 3.689 N/A GLN 69.A NE2 PHE 679.A O no hydrogen 2.645 N/A VAL 72.A N ARG 68.A O no hydrogen 3.288 N/A ARG 73.A N GLN 69.A O no hydrogen 3.384 N/A ARG 73.A NH1 ILE 778.A O no hydrogen 3.124 N/A ARG 73.A NH2 ILE 778.A O no hydrogen 2.519 N/A ASP 74.A N TRP 70.A O no hydrogen 3.085 N/A ASP 75.A N ALA 71.A O no hydrogen 2.999 N/A PHE 76.A N VAL 72.A O no hydrogen 2.867 N/A CYS 77.A N ARG 73.A O no hydrogen 3.044 N/A CYS 77.A SG ARG 73.A O no hydrogen 3.308 N/A VAL 84.A N HIS 534.A O no hydrogen 2.635 N/A SER 87.A OG TYR 180.A OH no hydrogen 3.037 N/A SER 87.A OG GLU 218.A OE2 no hydrogen 2.425 N/A SER 89.A OG TYR 227.A O no hydrogen 3.532 N/A SER 89.A OG ASP 414.A OD2 no hydrogen 2.745 N/A MET 90.A N SER 87.A OG no hydrogen 3.279 N/A GLN 91.A N SER 87.A O no hydrogen 2.722 N/A ALA 92.A N PRO 88.A O no hydrogen 2.956 N/A ALA 93.A N SER 89.A O no hydrogen 3.414 N/A PHE 94.A N MET 90.A O no hydrogen 2.881 N/A MET 95.A N GLN 91.A O no hydrogen 3.238 N/A LYS 96.A N ALA 92.A O no hydrogen 2.997 N/A ARG 99.A N MET 95.A O no hydrogen 2.918 N/A LYS 101.A NZ ASN 166.A OD1 no hydrogen 2.594 N/A ILE 106.A N GLU 102.A O no hydrogen 2.825 N/A ARG 107.A N LYS 103.A O no hydrogen 3.119 N/A GLN 108.A N GLY 104.A O no hydrogen 3.232 N/A CYS 109.A N LEU 105.A O no hydrogen 2.864 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.295 N/A LEU 110.A N ILE 106.A O no hydrogen 2.656 N/A ARG 111.A N ARG 107.A O no hydrogen 2.884 N/A VAL 114.A N LEU 110.A O no hydrogen 3.303 N/A VAL 116.A N ILE 113.A O no hydrogen 2.855 N/A ILE 117.A N ILE 113.A O no hydrogen 2.862 N/A GLU 118.A N VAL 114.A O no hydrogen 2.897 N/A ARG 120.A N VAL 116.A O no hydrogen 3.162 N/A ARG 120.A NH1 GLU 444.A OE2 no hydrogen 3.548 N/A ASN 121.A N ILE 117.A O no hydrogen 2.970 N/A ARG 122.A N GLU 118.A O no hydrogen 3.322 N/A ALA 133.A N LYS 129.A O no hydrogen 3.381 N/A LYS 134.A N ARG 130.A O no hydrogen 2.930 N/A LEU 135.A N SER 131.A O no hydrogen 3.356 N/A ARG 136.A N GLN 132.A O no hydrogen 3.111 N/A PHE 137.A N ALA 133.A O no hydrogen 2.930 N/A ARG 138.A N LYS 134.A O no hydrogen 3.105 N/A ILE 139.A N LEU 135.A O no hydrogen 3.218 N/A ARG 140.A N ARG 136.A O no hydrogen 3.106 N/A GLN 141.A N PHE 137.A O no hydrogen 3.007 N/A ARG 142.A N ARG 138.A O no hydrogen 2.964 N/A LEU 143.A N ILE 139.A O no hydrogen 3.023 N/A LEU 144.A N ARG 140.A O no hydrogen 3.027 N/A LEU 150.A N PHE 146.A O no hydrogen 3.246 N/A ALA 151.A N GLN 147.A O no hydrogen 3.018 N/A ASN 154.A N LEU 150.A O no hydrogen 3.252 N/A ALA 155.A N ALA 151.A O no hydrogen 3.173 N/A ILE 156.A N VAL 152.A O no hydrogen 2.841 N/A ALA 157.A N ALA 153.A O no hydrogen 3.272 N/A SER 158.A N ASN 154.A O no hydrogen 2.808 N/A SER 158.A OG ASN 154.A O no hydrogen 2.941 N/A SER 158.A OG ALA 155.A O no hydrogen 3.443 N/A ARG 159.A N ILE 156.A O no hydrogen 3.289 N/A ARG 159.A NE ILE 156.A O no hydrogen 2.708 N/A ARG 159.A NH2 GLU 124.A OE1 no hydrogen 2.664 N/A ARG 159.A NH2 ILE 156.A O no hydrogen 2.825 N/A SER 160.A N ALA 155.A O no hydrogen 2.724 N/A TYR 163.A OH GLU 444.A OE1 no hydrogen 3.168 N/A THR 165.A OG1 GLU 405.A OE1 no hydrogen 3.040 N/A ALA 168.A N SER 164.A O no hydrogen 2.876 N/A ILE 169.A N THR 165.A O no hydrogen 3.276 N/A TYR 171.A N ASP 167.A O no hydrogen 2.892 N/A PHE 172.A N ALA 168.A O no hydrogen 3.116 N/A LEU 173.A N ILE 169.A O no hydrogen 2.903 N/A PHE 174.A N GLY 170.A O no hydrogen 3.373 N/A ARG 175.A N TYR 171.A O no hydrogen 3.087 N/A ARG 175.A NH1 GLU 554.A OE1 no hydrogen 2.965 N/A ARG 175.A NH2 GLU 554.A OE2 no hydrogen 2.604 N/A MET 179.A N ARG 175.A O no hydrogen 3.059 N/A TYR 180.A N GLY 176.A O no hydrogen 2.923 N/A TYR 180.A OH SER 87.A OG no hydrogen 3.037 N/A TYR 180.A OH GLU 218.A OE1 no hydrogen 2.470 N/A ALA 181.A N ALA 177.A O no hydrogen 3.059 N/A GLY 182.A N ALA 178.A O no hydrogen 3.099 N/A MET 183.A N MET 179.A O no hydrogen 3.189 N/A HIS 184.A N TYR 180.A O no hydrogen 3.203 N/A HIS 184.A NE2 TYR 180.A OH no hydrogen 3.103 N/A HIS 184.A NE2 GLU 218.A OE1 no hydrogen 3.186 N/A ARG 185.A N ALA 181.A O no hydrogen 3.107 N/A ARG 185.A NH1 ARG 185.A O no hydrogen 3.067 N/A ARG 185.A NH1 GLU 189.A OE1 no hydrogen 2.940 N/A ARG 185.A NH2 TYR 558.A OH no hydrogen 3.428 N/A PHE 187.A N MET 183.A O no hydrogen 3.091 N/A PHE 188.A N HIS 184.A O no hydrogen 3.161 N/A LEU 190.A N VAL 186.A O no hydrogen 2.946 N/A SER 191.A N PHE 187.A O no hydrogen 3.028 N/A SER 191.A OG PHE 187.A O no hydrogen 2.788 N/A SER 191.A OG PHE 188.A O no hydrogen 2.940 N/A SER 191.A OG GLN 238.A OE1 no hydrogen 2.700 N/A LYS 192.A N PHE 188.A O no hydrogen 3.252 N/A LYS 192.A NZ ASP 75.A O no hydrogen 2.628 N/A LYS 192.A NZ PHE 76.A O no hydrogen 2.959 N/A LYS 192.A NZ ASP 78.A O no hydrogen 2.880 N/A GLN 193.A N GLU 189.A O no hydrogen 2.791 N/A LEU 194.A N LEU 190.A O no hydrogen 3.068 N/A LYS 200.A N ASP 434.A OD2 no hydrogen 3.160 N/A THR 201.A OG1 HIS 433.A ND1 no hydrogen 2.959 N/A MET 202.A N GLU 393.A O no hydrogen 3.205 N/A LEU 203.A N LEU 435.A O no hydrogen 2.755 N/A ASP 204.A N THR 395.A O no hydrogen 2.794 N/A PHE 205.A N VAL 437.A O no hydrogen 2.836 N/A ALA 207.A N VAL 397.A O no hydrogen 2.872 N/A GLY 208.A N GLY 206.A O no hydrogen 2.831 N/A THR 211.A N THR 209.A O no hydrogen 2.866 N/A LEU 214.A N GLY 210.A O no hydrogen 3.051 N/A VAL 215.A N THR 211.A O no hydrogen 3.034 N/A ALA 216.A N ALA 212.A O no hydrogen 3.330 N/A LYS 217.A N ILE 213.A O no hydrogen 3.026 N/A LYS 217.A NZ ASP 221.A OD2 no hydrogen 3.389 N/A GLU 218.A N LEU 214.A O no hydrogen 2.968 N/A VAL 219.A N VAL 215.A O no hydrogen 2.696 N/A TYR 220.A N ALA 216.A O no hydrogen 3.298 N/A ASP 221.A N LYS 217.A O no hydrogen 2.896 N/A SER 224.A OG ASP 221.A OD1 no hydrogen 3.332 N/A SER 224.A OG ASP 221.A OD2 no hydrogen 3.166 N/A ALA 226.A N ASP 414.A OD2 no hydrogen 3.061 N/A ARG 231.A NH2 GLU 250.A O no hydrogen 2.636 N/A LEU 233.A N TYR 230.A O no hydrogen 3.473 N/A ARG 234.A NE ASN 80.A O no hydrogen 2.972 N/A ARG 234.A NH1 TYR 52.A OH no hydrogen 3.361 N/A ARG 234.A NH1 ASP 75.A OD1 no hydrogen 3.251 N/A ARG 234.A NH2 ASP 75.A O no hydrogen 3.486 N/A ARG 234.A NH2 ASP 78.A O no hydrogen 2.582 N/A GLN 235.A NE2 ILE 85.A O no hydrogen 3.110 N/A THR 236.A OG1 ARG 231.A O no hydrogen 3.557 N/A THR 236.A OG1 LEU 233.A O no hydrogen 2.828 N/A MET 237.A N ARG 234.A O no hydrogen 3.107 N/A ASN 240.A ND2 VAL 219.A O no hydrogen 3.532 N/A SER 242.A OG TYR 220.A O no hydrogen 2.585 N/A ARG 244.A N ASN 240.A O no hydrogen 2.842 N/A THR 245.A N ASP 241.A O no hydrogen 3.215 N/A THR 245.A OG1 ASP 241.A O no hydrogen 2.403 N/A HIS 246.A N SER 242.A O no hydrogen 3.217 N/A GLN 247.A N SER 243.A O no hydrogen 2.824 N/A GLN 247.A NE2 GLN 238.A O no hydrogen 3.302 N/A LEU 248.A N ARG 244.A O no hydrogen 3.123 N/A SER 249.A OG HIS 246.A O no hydrogen 2.748 N/A GLU 250.A N HIS 246.A O no hydrogen 3.322 N/A LEU 251.A N GLN 247.A O no hydrogen 2.856 N/A ARG 252.A N LEU 248.A O no hydrogen 2.956 N/A TYR 253.A N SER 249.A O no hydrogen 3.114 N/A ASP 254.A N GLU 250.A O no hydrogen 3.291 N/A LEU 255.A N LEU 251.A O no hydrogen 2.902 N/A LYS 256.A N ARG 252.A O no hydrogen 3.222 N/A ARG 257.A N TYR 253.A O no hydrogen 3.266 N/A LEU 258.A N ASP 254.A O no hydrogen 3.034 N/A GLN 259.A N LEU 255.A O no hydrogen 3.195 N/A ASN 262.A N ASN 262.A OD1 no hydrogen 2.570 N/A LYS 266.A N GLU 263.A O no hydrogen 3.210 N/A VAL 268.A N GLU 264.A O no hydrogen 3.417 N/A ARG 269.A N LYS 266.A O no hydrogen 3.182 N/A PHE 270.A N LYS 266.A O no hydrogen 3.099 N/A ALA 272.A N VAL 268.A O no hydrogen 3.168 N/A VAL 273.A N ARG 269.A O no hydrogen 2.905 N/A ALA 274.A N PHE 270.A O no hydrogen 3.271 N/A ALA 275.A N MET 271.A O no hydrogen 2.631 N/A LEU 276.A N ALA 272.A O no hydrogen 3.028 N/A LEU 277.A N VAL 273.A O no hydrogen 3.174 N/A GLU 278.A N ALA 274.A O no hydrogen 3.396 N/A ARG 279.A N ALA 275.A O no hydrogen 3.218 N/A VAL 282.A N GLU 278.A O no hydrogen 3.337 N/A ASP 283.A N GLU 278.A O no hydrogen 2.763 N/A ILE 295.A N LYS 292.A O no hydrogen 3.227 N/A ALA 296.A N LYS 292.A O no hydrogen 3.423 N/A GLU 297.A N ARG 293.A O no hydrogen 3.024 N/A ALA 299.A N ILE 295.A O no hydrogen 2.988 N/A THR 300.A N ALA 296.A O no hydrogen 2.973 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.789 N/A ALA 301.A N GLU 297.A O no hydrogen 3.316 N/A ALA 302.A N VAL 298.A O no hydrogen 2.508 N/A ALA 303.A N ALA 299.A O no hydrogen 2.958 N/A THR 304.A N THR 300.A O no hydrogen 3.102 N/A THR 304.A OG1 THR 300.A O no hydrogen 3.374 N/A THR 304.A OG1 ALA 301.A O no hydrogen 2.791 N/A ALA 305.A N ALA 301.A O no hydrogen 3.024 N/A LYS 306.A N ALA 302.A O no hydrogen 3.079 N/A LYS 307.A N ALA 303.A O no hydrogen 3.164 N/A ARG 309.A N ALA 305.A O no hydrogen 3.207 N/A ARG 309.A N LYS 306.A O no hydrogen 3.247 N/A LEU 310.A N LYS 306.A O no hydrogen 3.270 N/A ARG 312.A N ASP 308.A O no hydrogen 3.414 N/A GLU 313.A N ARG 309.A O no hydrogen 3.152 N/A ALA 314.A N LEU 310.A O no hydrogen 3.094 N/A VAL 322.A N ARG 319.A O no hydrogen 3.082 N/A GLU 335.A N ASP 331.A OD1 no hydrogen 2.775 N/A VAL 336.A N ASP 331.A OD1 no hydrogen 2.951 N/A SER 339.A OG GLU 335.A O no hydrogen 2.388 N/A THR 340.A OG1 GLU 341.A O no hydrogen 3.469 N/A GLU 344.A N ASP 342.A OD1 no hydrogen 3.309 N/A ASP 345.A N ASP 345.A OD1 no hydrogen 2.424 N/A GLU 350.A N ILE 347.A O no hydrogen 3.124 N/A GLN 351.A NE2 ASP 348.A O no hydrogen 3.410 N/A GLY 358.A N GLY 355.A O no hydrogen 3.285 N/A GLU 359.A N ASP 356.A O no hydrogen 3.215 N/A ALA 361.A N ASP 357.A O no hydrogen 3.126 N/A LYS 362.A NZ GLU 359.A O no hydrogen 3.322 N/A LYS 366.A N ARG 364.A O no hydrogen 2.855 N/A THR 367.A OG1 GLU 370.A OE1 no hydrogen 2.293 N/A GLU 370.A N THR 367.A OG1 no hydrogen 3.118 N/A LYS 371.A N THR 367.A O no hydrogen 3.202 N/A LEU 372.A N TRP 368.A O no hydrogen 3.228 N/A LEU 372.A N TRP 369.A O no hydrogen 3.135 N/A ILE 373.A N TRP 369.A O no hydrogen 3.362 N/A ASP 374.A N LYS 371.A O no hydrogen 3.275 N/A GLU 376.A N LEU 372.A O no hydrogen 3.208 N/A THR 382.A OG1 GLU 378.A O no hydrogen 3.292 N/A ALA 384.A N ALA 380.A O no hydrogen 2.827 N/A ALA 385.A N THR 382.A O no hydrogen 3.240 N/A ARG 386.A N THR 382.A O no hydrogen 3.030 N/A ARG 386.A NE THR 382.A O no hydrogen 3.195 N/A GLN 392.A N LYS 200.A O no hydrogen 3.189 N/A THR 395.A N MET 202.A O no hydrogen 2.731 N/A ALA 396.A N THR 419.A O no hydrogen 2.779 N/A VAL 397.A N ASP 204.A O no hydrogen 3.070 N/A GLU 398.A N LYS 421.A O no hydrogen 3.100 N/A SER 400.A OG GLU 398.A OE2 no hydrogen 2.347 N/A MET 404.A N SER 400.A O no hydrogen 3.371 N/A GLU 405.A N PRO 401.A O no hydrogen 3.370 N/A GLY 407.A N MET 403.A O no hydrogen 2.788 N/A THR 408.A N MET 404.A O no hydrogen 2.888 N/A THR 408.A OG1 MET 404.A O no hydrogen 2.325 N/A VAL 410.A N ILE 406.A O no hydrogen 3.164 N/A LEU 411.A N GLY 407.A O no hydrogen 3.359 N/A HIS 412.A N THR 408.A O no hydrogen 3.198 N/A HIS 412.A ND1 THR 408.A O no hydrogen 2.665 N/A ASP 414.A N LEU 411.A O no hydrogen 3.335 N/A VAL 415.A N LEU 411.A O no hydrogen 2.687 N/A THR 419.A N VAL 394.A O no hydrogen 2.796 N/A LYS 421.A N ALA 396.A O no hydrogen 2.640 N/A LYS 421.A NZ ASP 428.A OD1 no hydrogen 3.510 N/A LEU 425.A N ASP 428.A OD2 no hydrogen 3.074 N/A ASP 428.A N LEU 425.A O no hydrogen 3.141 N/A ILE 431.A N ASP 428.A O no hydrogen 3.422 N/A GLN 432.A NE2 LYS 460.A O no hydrogen 3.330 N/A HIS 433.A N MET 461.A O no hydrogen 2.922 N/A HIS 433.A ND1 THR 201.A OG1 no hydrogen 2.959 N/A ASP 434.A N THR 201.A O no hydrogen 2.976 N/A LEU 435.A N THR 201.A O no hydrogen 3.265 N/A VAL 436.A N VAL 465.A O no hydrogen 3.135 N/A VAL 437.A N LEU 203.A O no hydrogen 2.963 N/A ALA 438.A N VAL 467.A O no hydrogen 2.882 N/A TYR 440.A N VAL 469.A O no hydrogen 2.677 N/A SER 441.A OG PHE 205.A O no hydrogen 3.078 N/A SER 441.A OG GLY 206.A O no hydrogen 3.108 N/A SER 441.A OG ALA 439.A O no hydrogen 3.036 N/A SER 443.A N GLU 470.A OE1 no hydrogen 2.847 N/A SER 443.A OG GLU 470.A OE1 no hydrogen 3.087 N/A SER 448.A OG GLU 449.A OE1 no hydrogen 3.524 N/A ARG 451.A NE LEU 442.A O no hydrogen 3.230 N/A ARG 452.A NH2 GLU 489.A OE1 no hydrogen 2.716 N/A ARG 453.A N ASN 450.A O no hydrogen 3.304 N/A VAL 455.A N ARG 451.A O no hydrogen 3.238 N/A GLN 456.A N ARG 452.A O no hydrogen 3.401 N/A GLN 457.A N ARG 453.A O no hydrogen 2.937 N/A GLN 457.A NE2 LEU 425.A O no hydrogen 2.402 N/A LEU 458.A N ILE 454.A O no hydrogen 2.880 N/A TRP 459.A NE1 GLU 490.A OE2 no hydrogen 2.975 N/A THR 462.A OG1 TRP 459.A O no hydrogen 2.463 N/A LYS 463.A N HIS 433.A O no hydrogen 2.430 N/A GLY 464.A N ASP 434.A O no hydrogen 3.140 N/A VAL 465.A N ASP 434.A O no hydrogen 3.018 N/A LEU 466.A N LEU 561.A O no hydrogen 2.665 N/A VAL 467.A N VAL 436.A O no hydrogen 2.898 N/A PHE 468.A N LEU 559.A O no hydrogen 2.939 N/A VAL 469.A N ALA 438.A O no hydrogen 3.165 N/A GLU 470.A N SER 557.A O no hydrogen 2.783 N/A ALA 472.A N PRO 555.A O no hydrogen 3.132 N/A ASN 475.A ND2 GLU 124.A O no hydrogen 3.167 N/A ASN 475.A ND2 PRO 125.A O no hydrogen 2.771 N/A ASN 476.A ND2 PHE 471.A O no hydrogen 3.541 N/A PHE 477.A N ASN 473.A O no hydrogen 2.984 N/A ASN 478.A N LEU 474.A O no hydrogen 3.415 N/A ILE 479.A N ASN 475.A O no hydrogen 3.279 N/A LEU 480.A N ASN 476.A O no hydrogen 2.955 N/A MET 481.A N PHE 477.A O no hydrogen 2.849 N/A GLU 482.A N ASN 478.A O no hydrogen 3.056 N/A ALA 483.A N ILE 479.A O no hydrogen 2.936 N/A ARG 484.A N LEU 480.A O no hydrogen 2.796 N/A ARG 484.A NH1 HIS 510.A O no hydrogen 2.753 N/A ARG 484.A NH2 HIS 510.A O no hydrogen 2.673 N/A ASP 485.A N MET 481.A O no hydrogen 3.067 N/A TRP 486.A N GLU 482.A O no hydrogen 2.841 N/A ILE 487.A N ALA 483.A O no hydrogen 3.347 N/A LEU 488.A N ARG 484.A O no hydrogen 3.165 N/A GLU 489.A N ASP 485.A O no hydrogen 3.100 N/A GLU 490.A N ILE 487.A O no hydrogen 3.046 N/A LYS 491.A NZ GLU 509.A OE1 no hydrogen 3.561 N/A TRP 498.A N LEU 495.A O no hydrogen 3.452 N/A GLN 499.A N TRP 496.A O no hydrogen 3.450 N/A THR 501.A N ALA 562.A O no hydrogen 2.824 N/A THR 501.A OG1 ALA 562.A O no hydrogen 2.887 N/A VAL 503.A N ILE 560.A O no hydrogen 2.954 N/A HIS 510.A N HIS 508.A ND1 no hydrogen 3.187 N/A ARG 515.A N CYS 512.A O no hydrogen 3.160 N/A CYS 517.A SG LEU 514.A O no hydrogen 3.323 N/A CYS 517.A SG THR 519.A OG1 no hydrogen 3.746 N/A CYS 517.A SG MET 526.A O no hydrogen 3.295 N/A LYS 518.A N ALA 806.A O no hydrogen 2.874 N/A VAL 521.A N LYS 518.A O no hydrogen 3.507 N/A ARG 523.A N THR 519.A O no hydrogen 3.284 N/A ARG 523.A NE LYS 522.A O no hydrogen 3.081 N/A ARG 527.A NE GLY 520.A O no hydrogen 2.540 N/A ARG 527.A NH1 LEU 815.A O no hydrogen 3.326 N/A ARG 527.A NH2 GLY 520.A O no hydrogen 3.149 N/A ARG 527.A NH2 VAL 521.A O no hydrogen 2.867 N/A ARG 527.A NH2 LEU 815.A O no hydrogen 3.530 N/A THR 531.A N ILE 556.A O no hydrogen 2.954 N/A THR 531.A OG1 ARG 789.A O no hydrogen 2.930 N/A ALA 533.A N GLU 554.A O no hydrogen 2.780 N/A TYR 535.A N GLY 552.A O no hydrogen 2.936 N/A TYR 535.A OH GLU 541.A OE1 no hydrogen 2.589 N/A TYR 535.A OH GLU 541.A OE2 no hydrogen 3.202 N/A ARG 536.A N VAL 84.A O no hydrogen 3.442 N/A SER 537.A OG LEU 549.A O no hydrogen 2.297 N/A TRP 543.A N PHE 539.A O no hydrogen 3.220 N/A ALA 544.A N VAL 540.A O no hydrogen 3.123 N/A ARG 545.A N GLU 541.A O no hydrogen 3.116 N/A GLY 552.A N TYR 535.A O no hydrogen 2.476 N/A GLU 554.A N ALA 533.A O no hydrogen 2.819 N/A ILE 556.A N THR 531.A O no hydrogen 2.802 N/A SER 557.A N GLU 470.A O no hydrogen 2.839 N/A TYR 558.A OH GLU 189.A OE1 no hydrogen 2.386 N/A TYR 558.A OH GLU 189.A OE2 no hydrogen 3.370 N/A LEU 559.A N PHE 468.A O no hydrogen 2.842 N/A ILE 560.A N ALA 504.A O no hydrogen 2.696 N/A LEU 561.A N LEU 466.A O no hydrogen 2.876 N/A ALA 562.A N THR 501.A O no hydrogen 3.004 N/A ARG 563.A NE THR 462.A O no hydrogen 2.969 N/A ARG 563.A NH1 TRP 498.A O no hydrogen 2.765 N/A ARG 563.A NH2 THR 462.A O no hydrogen 2.798 N/A GLU 565.A N ASP 497.A O no hydrogen 3.243 N/A LEU 566.A N ARG 563.A O no hydrogen 3.303 N/A ALA 571.A N PRO 568.A O no hydrogen 3.299 N/A ARG 573.A N GLU 569.A O no hydrogen 3.058 N/A ARG 573.A NH2 PRO 725.A O no hydrogen 3.299 N/A ARG 574.A N ARG 570.A O no hydrogen 3.137 N/A ARG 575.A N ALA 571.A O no hydrogen 3.176 N/A GLU 576.A N GLU 572.A O no hydrogen 3.126 N/A GLN 577.A N ARG 573.A O no hydrogen 3.190 N/A LEU 578.A N ARG 574.A O no hydrogen 2.697 N/A LYS 579.A N GLU 576.A O no hydrogen 3.171 N/A LYS 580.A N GLU 576.A O no hydrogen 2.906 N/A ALA 581.A N GLN 577.A O no hydrogen 3.339 N/A GLU 583.A N LYS 579.A O no hydrogen 3.143 N/A LYS 585.A N ALA 581.A O no hydrogen 2.856 N/A ARG 586.A N GLU 582.A O no hydrogen 2.863 N/A ARG 587.A N GLU 583.A O no hydrogen 2.889 N/A GLU 588.A N MET 584.A O no hydrogen 2.837 N/A ARG 589.A N LYS 585.A O no hydrogen 3.115 N/A LYS 592.A N GLU 588.A O no hydrogen 3.382 N/A GLN 593.A N ARG 589.A O no hydrogen 2.824 N/A GLN 594.A N ASP 590.A O no hydrogen 2.849 N/A GLN 595.A N VAL 591.A O no hydrogen 3.237 N/A LEU 596.A N LYS 592.A O no hydrogen 2.938 N/A HIS 597.A N GLN 593.A O no hydrogen 3.018 N/A GLU 598.A N GLN 594.A O no hydrogen 3.015 N/A ALA 599.A N GLN 595.A O no hydrogen 2.923 N/A SER 600.A N LEU 596.A O no hydrogen 2.708 N/A SER 600.A N HIS 597.A O no hydrogen 3.247 N/A SER 600.A OG LEU 596.A O no hydrogen 2.487 N/A LEU 601.A N HIS 597.A O no hydrogen 3.142 N/A LYS 604.A N SER 600.A O no hydrogen 3.141 N/A VAL 607.A N VAL 603.A O no hydrogen 3.058 N/A THR 634.A OG1 SER 635.A O no hydrogen 2.948 N/A SER 635.A OG ASP 658.A OD2 no hydrogen 3.483 N/A LYS 640.A N THR 636.A O no hydrogen 3.366 N/A ASP 641.A N SER 637.A O no hydrogen 3.389 N/A LEU 642.A N LEU 638.A O no hydrogen 3.367 N/A ASP 644.A N ASP 641.A O no hydrogen 3.364 N/A THR 647.A N GLN 678.A O no hydrogen 2.855 N/A THR 647.A OG1 GLY 645.A O no hydrogen 3.279 N/A SER 648.A OG HIS 654.A ND1 no hydrogen 2.627 N/A GLU 651.A N GLU 651.A OE1 no hydrogen 2.764 N/A HIS 654.A ND1 SER 648.A OG no hydrogen 2.627 N/A ARG 661.A N LEU 673.A O no hydrogen 2.929 N/A VAL 663.A N ASN 671.A O no hydrogen 2.997 N/A LYS 664.A NZ GLY 666.A O no hydrogen 2.927 N/A HIS 670.A N VAL 802.A O no hydrogen 3.275 N/A ARG 672.A N LEU 799.A O no hydrogen 2.856 N/A ARG 672.A NE HIS 795.A O no hydrogen 3.314 N/A ARG 672.A NH2 HIS 795.A O no hydrogen 2.993 N/A LEU 673.A N ARG 661.A O no hydrogen 3.186 N/A GLN 678.A N THR 649.A OG1 no hydrogen 2.789 N/A PHE 679.A N GLN 69.A OE1 no hydrogen 3.387 N/A THR 683.A OG1 THR 683.A O no hydrogen 2.386 N/A ASN 687.A N HIS 684.A O no hydrogen 3.238 N/A ASN 687.A ND2 ALA 682.A O no hydrogen 3.186 N/A ASN 687.A ND2 GLU 712.A OE1 no hydrogen 3.517 N/A ASN 687.A ND2 GLU 712.A OE2 no hydrogen 3.370 N/A ARG 688.A N HIS 684.A O no hydrogen 3.334 N/A ARG 688.A NE THR 683.A O no hydrogen 3.186 N/A ARG 697.A NH1 CYS 61.A O no hydrogen 2.976 N/A ARG 697.A NH1 GLU 705.A OE2 no hydrogen 3.402 N/A ARG 697.A NH2 ARG 699.A O no hydrogen 3.120 N/A GLN 698.A NE2 GLN 696.A O no hydrogen 3.131 N/A ALA 704.A N THR 702.A OG1 no hydrogen 3.149 N/A GLU 705.A N THR 702.A O no hydrogen 3.000 N/A MET 706.A N THR 702.A O no hydrogen 3.371 N/A LEU 707.A N PRO 703.A O no hydrogen 3.122 N/A VAL 708.A N ALA 704.A O no hydrogen 3.091 N/A VAL 709.A N GLU 705.A O no hydrogen 3.006 N/A ARG 710.A N MET 706.A O no hydrogen 3.060 N/A ARG 710.A NE GLU 53.A OE1 no hydrogen 3.113 N/A GLN 711.A N LEU 707.A O no hydrogen 3.339 N/A GLU 712.A N VAL 708.A O no hydrogen 3.060 N/A VAL 713.A N VAL 709.A O no hydrogen 2.962 N/A GLU 714.A N ARG 710.A O no hydrogen 3.074 N/A GLN 715.A N GLN 711.A O no hydrogen 2.981 N/A LEU 716.A N GLU 712.A O no hydrogen 2.900 N/A GLN 717.A N VAL 713.A O no hydrogen 2.789 N/A GLN 718.A N GLU 714.A O no hydrogen 3.107 N/A ARG 719.A N GLN 715.A O no hydrogen 3.176 N/A VAL 720.A N LEU 716.A O no hydrogen 3.052 N/A MET 721.A N GLN 717.A O no hydrogen 2.952 N/A ALA 724.A N MET 721.A O no hydrogen 3.363 N/A LYS 726.A N ALA 723.A O no hydrogen 3.193 N/A TYR 727.A N ALA 724.A O no hydrogen 3.267 N/A LEU 728.A N PHE 793.A O no hydrogen 2.616 N/A ARG 729.A NH1 GLU 189.A OE2 no hydrogen 2.490 N/A VAL 730.A N SER 791.A O no hydrogen 2.815 N/A VAL 731.A N ASP 743.A O no hydrogen 3.093 N/A ARG 732.A NH1 ILE 528.A O no hydrogen 3.083 N/A ARG 732.A NH1 VAL 731.A O no hydrogen 3.080 N/A ARG 732.A NH2 ARG 525.A O no hydrogen 2.652 N/A ARG 732.A NH2 ILE 528.A O no hydrogen 3.278 N/A ARG 735.A N GLN 741.A O no hydrogen 3.003 N/A HIS 737.A N LYS 739.A O no hydrogen 3.182 N/A VAL 740.A N VAL 756.A O no hydrogen 3.147 N/A GLN 741.A N ARG 735.A O no hydrogen 3.122 N/A ALA 742.A N GLY 754.A O no hydrogen 3.394 N/A PHE 744.A N VAL 752.A O no hydrogen 3.036 N/A CYS 745.A N ARG 729.A O no hydrogen 2.746 N/A CYS 745.A SG HIS 508.A NE2 no hydrogen 3.772 N/A THR 746.A N ASP 750.A O no hydrogen 3.109 N/A THR 746.A OG1 ASP 750.A O no hydrogen 2.614 N/A ASP 750.A N THR 746.A OG1 no hydrogen 3.172 N/A VAL 752.A N PHE 744.A O no hydrogen 3.279 N/A SER 753.A N THR 803.A O no hydrogen 3.126 N/A SER 753.A OG ALA 742.A O no hydrogen 3.414 N/A SER 753.A OG ASP 743.A OD1 no hydrogen 3.163 N/A ARG 755.A N TYR 800.A O no hydrogen 2.788 N/A VAL 756.A N VAL 740.A O no hydrogen 2.870 N/A ARG 758.A NE GLN 776.A OE1 no hydrogen 2.824 N/A ARG 764.A N GLU 651.A OE2 no hydrogen 3.257 N/A TRP 775.A N SER 771.A O no hydrogen 3.254 N/A GLN 776.A N THR 772.A O no hydrogen 3.233 N/A HIS 777.A N ARG 774.A O no hydrogen 2.865 N/A ILE 778.A N ARG 774.A O no hydrogen 3.135 N/A GLY 779.A N TRP 775.A O no hydrogen 2.883 N/A TRP 781.A NE1 GLY 738.A O no hydrogen 2.850 N/A LYS 782.A N GLN 776.A O no hydrogen 2.824 N/A LEU 784.A N GLY 780.A O no hydrogen 2.886 N/A LYS 785.A N TRP 781.A O no hydrogen 3.321 N/A ARG 786.A N LEU 783.A O no hydrogen 3.146 N/A ILE 787.A N LEU 783.A O no hydrogen 3.186 N/A ARG 789.A N ASP 733.A OD1 no hydrogen 3.195 N/A ARG 789.A NH2 GLU 532.A OE1 no hydrogen 2.700 N/A GLY 790.A N VAL 730.A O no hydrogen 2.446 N/A SER 791.A OG ARG 788.A O no hydrogen 2.784 N/A LEU 792.A N CYS 77.A O no hydrogen 3.214 N/A PHE 793.A N LEU 728.A O no hydrogen 3.161 N/A LEU 799.A N ARG 672.A O no hydrogen 2.836 N/A TYR 800.A N ARG 755.A O no hydrogen 3.005 N/A VAL 802.A N HIS 670.A O no hydrogen 3.051 N/A THR 803.A N SER 753.A O no hydrogen 3.363 N/A LYS 804.A NZ ASP 750.A OD1 no hydrogen 3.503 N/A LYS 804.A NZ HIS 805.A O no hydrogen 3.421 N/A HIS 805.A N LEU 751.A O no hydrogen 2.849 N/A GLN 807.A NE2 PRO 513.A O no hydrogen 3.262 N/A GLN 807.A NE2 HIS 805.A O no hydrogen 3.676 N/A ILE 808.A N HIS 516.A O no hydrogen 2.817 N/A ASP 809.A N ASN 830.A OD1 no hydrogen 3.335 N/A ASN 812.A N ARG 515.A O no hydrogen 2.877 N/A ASN 812.A ND2 LEU 514.A O no hydrogen 3.566 N/A ASN 812.A ND2 CYS 517.A O no hydrogen 2.880 N/A LYS 818.A N ASP 816.A OD1 no hydrogen 3.221 N/A HIS 819.A ND1 GLU 823.A OE2 no hydrogen 3.098 N/A SER 820.A N GLU 823.A OE2 no hydrogen 2.981 N/A GLN 824.A N SER 820.A O no hydrogen 2.968 N/A GLN 824.A NE2 THR 817.A O no hydrogen 3.146 N/A THR 825.A N THR 821.A O no hydrogen 2.911 N/A THR 825.A OG1 THR 821.A O no hydrogen 2.657 N/A ALA 826.A N VAL 822.A O no hydrogen 3.356 N/A MET 827.A N GLU 823.A O no hydrogen 2.931 N/A GLN 828.A N GLN 824.A O no hydrogen 3.159 N/A TYR 829.A N THR 825.A O no hydrogen 3.324 N/A ASN 830.A ND2 ASP 809.A OD1 no hydrogen 3.030 N/A ASN 830.A ND2 ASP 809.A OD2 no hydrogen 3.362 N/A ASP 831.A N ALA 826.A O no hydrogen 3.188 N/A GLN 839.A N ILE 835.A O no hydrogen 3.093 N/A TRP 840.A N SER 836.A O no hydrogen 2.941 N/A ALA 841.A N GLU 837.A O no hydrogen 2.859 N/A ASP 842.A N GLN 838.A O no hydrogen 3.071 N/A ALA 843.A N GLN 839.A O no hydrogen 3.306 N/A VAL 844.A N TRP 840.A O no hydrogen 3.415 N/A ARG 845.A N ALA 841.A O no hydrogen 3.248 N/A ARG 846.A N ASP 842.A O no hydrogen 2.977 N/A ALA 847.A N ALA 843.A O no hydrogen 3.237 N/A LYS 848.A N VAL 844.A O no hydrogen 2.855 N/A ILE 849.A N ARG 845.A O no hydrogen 3.332 N/A ARG 850.A N ARG 846.A O no hydrogen 3.368 N/A ARG 850.A NE ARG 846.A O no hydrogen 3.226 N/A THR 851.A N ALA 847.A O no hydrogen 3.353 N/A THR 851.A N LYS 848.A O no hydrogen 3.222 N/A THR 851.A OG1 ALA 847.A O no hydrogen 2.735 N/A THR 851.A OG1 LYS 848.A O no hydrogen 2.650 N/A VAL 852.A N LYS 848.A O no hydrogen 3.092 N/A GLN 853.A N ILE 849.A O no hydrogen 3.103 N/A HIS 854.A N THR 851.A O no hydrogen 3.073 N/A THR 855.A N THR 851.A O no hydrogen 3.093 N/A THR 855.A OG1 VAL 852.A O no hydrogen 2.907 N/A LYS 856.A N VAL 852.A O no hydrogen 3.144 N/A LYS 856.A NZ VAL 852.A O no hydrogen 2.755 N/A ASN 857.A N GLN 853.A O no hydrogen 3.131 N/A ALA 862.A N ALA 858.A O no hydrogen 3.379 N/A ALA 863.A N LEU 859.A O no hydrogen 3.389 N/A LYS 864.A N PRO 860.A O no hydrogen 3.281 N/A LYS 865.A N PHE 861.A O no hydrogen 3.076 N/A ARG 866.A N ALA 862.A O no hydrogen 3.126 N/A ALA 867.A N ALA 863.A O no hydrogen 3.222 N/A ALA 868.A N LYS 864.A O no hydrogen 2.847 N/A GLN 869.A N LYS 865.A O no hydrogen 3.202 N/A ARG 870.A N ARG 866.A O no hydrogen 3.096 N/A GLN 873.A N ARG 870.A O no hydrogen 3.437 N/A ARG 877.A NH1 GLU 882.A OE1 no hydrogen 2.533 N/A GLU 882.A N ASN 878.A O no hydrogen 3.419 N/A MET 883.A N VAL 879.A O no hydrogen 3.125 N/A SER 884.A N ARG 880.A O no hydrogen 3.300 N/A GLY 885.A N LEU 881.A O no hydrogen 2.758 N/A ASN 886.A N GLU 882.A O no hydrogen 2.929 N/A ARG 889.A NH1 ASN 886.A O no hydrogen 2.879 N/A ARG 889.A NH1 ARG 888.A O no hydrogen 3.217 N/A