Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7sjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N GLU 3.A O no hydrogen 3.256 N/A SER 6.A OG GLU 3.A O no hydrogen 2.800 N/A GLY 8.A N ASN 7.A OD1 no hydrogen 2.679 N/A VAL 10.A N THR 218.A O no hydrogen 3.057 N/A ARG 11.A N PRO 238.A O no hydrogen 2.595 N/A LEU 12.A N ILE 220.A O no hydrogen 2.613 N/A LEU 13.A N ILE 240.A O no hydrogen 3.028 N/A THR 18.A N GLY 15.A O no hydrogen 3.397 N/A THR 18.A OG1 GLY 15.A O no hydrogen 2.513 N/A LYS 20.A NZ GLY 14.A O no hydrogen 2.706 N/A SER 22.A OG GLY 19.A O no hydrogen 3.328 N/A LEU 23.A N GLY 19.A O no hydrogen 2.430 N/A VAL 25.A N SER 22.A O no hydrogen 3.343 N/A THR 27.A OG1 LEU 24.A O no hydrogen 3.365 N/A ALA 28.A N VAL 25.A O no hydrogen 2.984 N/A VAL 29.A N VAL 25.A O no hydrogen 3.100 N/A GLN 30.A N ASP 26.A O no hydrogen 3.222 N/A GLN 30.A NE2 THR 27.A O no hydrogen 2.449 N/A SER 35.A OG GLU 34.A O no hydrogen 2.414 N/A LEU 38.A N LEU 64.A O no hydrogen 3.244 N/A LEU 39.A N LEU 193.A O no hydrogen 3.006 N/A THR 40.A N ARG 66.A O no hydrogen 3.312 N/A SER 42.A OG GLY 41.A O no hydrogen 2.577 N/A ARG 46.A N SER 42.A O no hydrogen 2.976 N/A ARG 46.A NH1 VAL 65.A O no hydrogen 2.944 N/A THR 47.A N ALA 43.A O no hydrogen 3.193 N/A THR 47.A OG1 ARG 44.A O no hydrogen 2.514 N/A ALA 49.A N LEU 45.A O no hydrogen 2.944 N/A ARG 50.A N ARG 46.A O no hydrogen 2.876 N/A ALA 51.A N THR 47.A O no hydrogen 2.893 N/A ALA 52.A N ALA 48.A O no hydrogen 2.917 N/A ILE 53.A N ALA 49.A O no hydrogen 2.973 N/A THR 54.A N ARG 50.A O no hydrogen 2.874 N/A THR 54.A OG1 ARG 50.A O no hydrogen 2.596 N/A THR 54.A OG1 ALA 51.A O no hydrogen 3.205 N/A ALA 55.A N ALA 51.A O no hydrogen 2.904 N/A ARG 56.A N ALA 52.A O no hydrogen 2.934 N/A LEU 57.A N ILE 53.A O no hydrogen 2.934 N/A ARG 66.A N LEU 38.A O no hydrogen 2.843 N/A THR 67.A N SER 70.A OG no hydrogen 2.749 N/A SER 70.A OG THR 67.A O no hydrogen 2.838 N/A TYR 71.A N THR 67.A O no hydrogen 2.866 N/A ALA 72.A N VAL 68.A O no hydrogen 2.897 N/A PHE 73.A N HIS 69.A O no hydrogen 2.933 N/A ALA 74.A N SER 70.A O no hydrogen 2.907 N/A VAL 75.A N TYR 71.A O no hydrogen 2.854 N/A LEU 76.A N ALA 72.A O no hydrogen 2.942 N/A ARG 77.A N PHE 73.A O no hydrogen 2.854 N/A LEU 78.A N ALA 74.A O no hydrogen 2.920 N/A ALA 79.A N VAL 75.A O no hydrogen 2.864 N/A ALA 80.A N ARG 77.A O no hydrogen 3.070 N/A GLN 81.A N LEU 78.A O no hydrogen 3.089 N/A GLN 86.A N THR 82.A O no hydrogen 2.909 N/A GLN 86.A NE2 TYR 158.A OH no hydrogen 2.399 N/A ASP 87.A N SER 83.A O no hydrogen 2.866 N/A GLY 88.A N ALA 84.A O no hydrogen 2.959 N/A ILE 89.A N GLU 85.A O no hydrogen 2.941 N/A ILE 90.A N GLN 86.A O no hydrogen 2.938 N/A ARG 91.A N ASP 87.A O no hydrogen 2.888 N/A GLU 92.A N GLY 88.A O no hydrogen 3.000 N/A LEU 93.A N ILE 89.A O no hydrogen 2.886 N/A LEU 94.A N ILE 90.A O no hydrogen 2.950 N/A ALA 95.A N ARG 91.A O no hydrogen 2.923 N/A GLY 96.A N GLU 92.A O no hydrogen 2.897 N/A ASP 97.A N LEU 93.A O no hydrogen 2.875 N/A LEU 98.A N LEU 94.A O no hydrogen 2.941 N/A GLU 99.A N GLY 96.A O no hydrogen 2.991 N/A TRP 102.A NE1 ASP 97.A OD2 no hydrogen 2.308 N/A ALA 109.A N LEU 106.A O no hydrogen 3.089 N/A LEU 110.A N TRP 107.A O no hydrogen 3.289 N/A THR 112.A N ALA 109.A O no hydrogen 3.113 N/A THR 112.A OG1 ALA 109.A O no hydrogen 3.542 N/A THR 117.A N ALA 113.A O no hydrogen 2.919 N/A THR 117.A OG1 ALA 113.A O no hydrogen 2.877 N/A GLU 118.A N GLY 114.A O no hydrogen 3.370 N/A LEU 119.A N PHE 115.A O no hydrogen 2.915 N/A ARG 120.A N ALA 116.A O no hydrogen 2.880 N/A ARG 120.A NH1 SER 83.A OG no hydrogen 2.764 N/A ARG 120.A NH2 SER 83.A OG no hydrogen 3.140 N/A ASP 121.A N THR 117.A O no hydrogen 2.941 N/A LEU 122.A N GLU 118.A O no hydrogen 2.907 N/A MET 123.A N LEU 119.A O no hydrogen 2.966 N/A ALA 124.A N ARG 120.A O no hydrogen 2.897 N/A ARG 125.A N ASP 121.A O no hydrogen 2.907 N/A CYS 126.A N LEU 122.A O no hydrogen 2.959 N/A CYS 126.A SG VAL 131.A O no hydrogen 3.212 N/A THR 127.A N MET 123.A O no hydrogen 2.911 N/A THR 127.A OG1 MET 123.A O no hydrogen 3.231 N/A THR 127.A OG1 ALA 124.A O no hydrogen 2.634 N/A GLU 128.A N ALA 124.A O no hydrogen 2.910 N/A ARG 129.A N ARG 125.A O no hydrogen 2.937 N/A GLY 130.A N THR 127.A O no hydrogen 3.123 N/A VAL 131.A N CYS 126.A O no hydrogen 3.203 N/A LEU 136.A N ASP 132.A O no hydrogen 2.874 N/A GLN 137.A N PRO 133.A O no hydrogen 2.886 N/A GLN 137.A NE2 GLY 152.A O no hydrogen 3.148 N/A GLN 137.A NE2 GLN 156.A OE1 no hydrogen 2.350 N/A ARG 138.A N ILE 134.A O no hydrogen 2.915 N/A LEU 139.A N ALA 135.A O no hydrogen 2.878 N/A GLY 140.A N LEU 136.A O no hydrogen 2.855 N/A ARG 141.A N GLN 137.A O no hydrogen 2.918 N/A ARG 141.A NE GLN 137.A O no hydrogen 3.013 N/A THR 142.A N ARG 138.A O no hydrogen 2.901 N/A THR 142.A OG1 ARG 138.A O no hydrogen 3.037 N/A THR 142.A OG1 LEU 139.A O no hydrogen 2.670 N/A ALA 143.A N LEU 139.A O no hydrogen 2.880 N/A ARG 145.A N ALA 143.A O no hydrogen 2.591 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.900 N/A TRP 148.A N ARG 145.A O no hydrogen 3.087 N/A TRP 148.A NE1 LEU 535.A O no hydrogen 3.155 N/A ALA 150.A N PRO 146.A O no hydrogen 2.951 N/A ALA 151.A N GLU 147.A O no hydrogen 2.891 N/A GLY 152.A N TRP 148.A O no hydrogen 2.862 N/A ARG 153.A N LEU 149.A O no hydrogen 2.947 N/A PHE 154.A N ALA 150.A O no hydrogen 2.901 N/A ALA 155.A N ALA 151.A O no hydrogen 2.849 N/A GLN 156.A N GLY 152.A O no hydrogen 2.927 N/A ALA 157.A N ARG 153.A O no hydrogen 2.912 N/A TYR 158.A N PHE 154.A O no hydrogen 2.829 N/A GLU 159.A N ALA 155.A O no hydrogen 2.928 N/A GLN 160.A N ALA 157.A O no hydrogen 3.191 N/A ILE 161.A N TYR 158.A O no hydrogen 3.106 N/A ALA 170.A N GLU 166.A O no hydrogen 2.935 N/A ALA 171.A N LEU 167.A O no hydrogen 2.900 N/A LEU 172.A N VAL 168.A O no hydrogen 2.933 N/A ALA 174.A N ALA 170.A O no hydrogen 2.919 N/A LEU 175.A N ALA 171.A O no hydrogen 2.934 N/A ALA 177.A N ALA 174.A O no hydrogen 3.401 N/A THR 184.A N GLU 180.A O no hydrogen 3.221 N/A THR 184.A OG1 LEU 181.A O no hydrogen 2.285 N/A ARG 186.A N LEU 182.A O no hydrogen 2.899 N/A ASN 187.A N ASP 183.A O no hydrogen 2.911 N/A ARG 188.A N GLU 185.A O no hydrogen 2.919 N/A ILE 189.A N GLU 185.A O no hydrogen 2.894 N/A LYS 190.A N SER 35.A O no hydrogen 2.701 N/A LEU 191.A N SER 35.A O no hydrogen 3.304 N/A LEU 193.A N LEU 37.A O no hydrogen 2.327 N/A VAL 194.A N LEU 192.A O no hydrogen 2.704 N/A ASP 195.A N LEU 39.A O no hydrogen 2.870 N/A ASP 196.A N ASP 195.A OD1 no hydrogen 2.566 N/A ALA 197.A N ALA 221.A O no hydrogen 3.051 N/A GLN 198.A N GLN 198.A OE1 no hydrogen 2.553 N/A HIS 199.A N ASP 196.A O no hydrogen 3.244 N/A ALA 205.A N ASP 201.A O no hydrogen 2.655 N/A ARG 206.A N PRO 202.A O no hydrogen 3.331 N/A LEU 207.A N GLN 203.A O no hydrogen 3.369 N/A VAL 208.A N ALA 204.A O no hydrogen 3.168 N/A ARG 209.A N ALA 205.A O no hydrogen 3.172 N/A ALA 210.A N ARG 206.A O no hydrogen 2.890 N/A LEU 211.A N LEU 207.A O no hydrogen 2.899 N/A ALA 212.A N ARG 209.A O no hydrogen 2.983 N/A THR 215.A OG1 GLY 214.A O no hydrogen 2.305 N/A LEU 217.A N LYS 190.A O no hydrogen 3.039 N/A THR 218.A OG1 LEU 192.A O no hydrogen 3.238 N/A ILE 220.A N VAL 10.A O no hydrogen 3.381 N/A THR 236.A N ASP 235.A OD1 no hydrogen 2.502 N/A ILE 240.A N ARG 11.A O no hydrogen 2.943 N/A LEU 242.A N LEU 13.A O no hydrogen 3.297 N/A GLN 244.A NE2 THR 268.A OG1 no hydrogen 3.173 N/A SER 245.A N THR 268.A O no hydrogen 2.831 N/A SER 245.A OG THR 268.A O no hydrogen 2.702 N/A ARG 247.A NH2 GLY 574.A O no hydrogen 2.347 N/A CYS 248.A SG GLY 574.A O no hydrogen 3.249 N/A CYS 248.A SG ALA 576.A O no hydrogen 4.046 N/A ALA 253.A N ALA 249.A O no hydrogen 2.548 N/A SER 254.A N PRO 250.A O no hydrogen 3.039 N/A SER 254.A OG PRO 250.A O no hydrogen 3.481 N/A SER 254.A OG GLU 251.A O no hydrogen 2.278 N/A ALA 255.A N GLU 251.A O no hydrogen 3.439 N/A ILE 256.A N ILE 252.A O no hydrogen 2.954 N/A THR 257.A N ALA 253.A O no hydrogen 2.890 N/A THR 257.A OG1 ALA 253.A O no hydrogen 2.562 N/A THR 257.A OG1 SER 254.A O no hydrogen 2.964 N/A GLY 258.A N SER 254.A O no hydrogen 2.888 N/A LEU 259.A N ALA 255.A O no hydrogen 2.917 N/A GLY 260.A N ILE 256.A O no hydrogen 2.919 N/A GLN 261.A N THR 257.A O no hydrogen 2.895 N/A GLN 261.A NE2 HIS 266.A NE2 no hydrogen 3.437 N/A ARG 262.A N LEU 259.A O no hydrogen 3.215 N/A THR 264.A OG1 THR 264.A O no hydrogen 2.368 N/A THR 268.A N THR 243.A O no hydrogen 3.249 N/A THR 268.A OG1 THR 243.A O no hydrogen 3.386 N/A ASN 270.A N CYS 248.A O no hydrogen 2.966 N/A GLN 272.A N ASN 270.A OD1 no hydrogen 2.932 N/A THR 276.A N THR 578.A O no hydrogen 3.204 N/A THR 276.A OG1 GLU 251.A OE1 no hydrogen 3.211 N/A THR 276.A OG1 VAL 277.A O no hydrogen 3.529 N/A THR 276.A OG1 THR 605.A OG1 no hydrogen 2.211 N/A THR 278.A OG1 VAL 580.A O no hydrogen 3.044 N/A ARG 280.A N ILE 582.A O no hydrogen 3.216 N/A SER 284.A OG ALA 283.A O no hydrogen 2.450 N/A GLU 288.A N SER 284.A O no hydrogen 3.392 N/A THR 290.A N HIS 286.A O no hydrogen 2.966 N/A MET 291.A N ALA 287.A O no hydrogen 2.877 N/A ILE 292.A N GLU 288.A O no hydrogen 2.928 N/A ALA 293.A N GLY 289.A O no hydrogen 2.971 N/A ASP 294.A N THR 290.A O no hydrogen 2.859 N/A ALA 295.A N MET 291.A O no hydrogen 2.873 N/A LEU 296.A N ILE 292.A O no hydrogen 2.923 N/A ARG 297.A N ALA 293.A O no hydrogen 2.906 N/A ARG 297.A NE LEU 615.A O no hydrogen 2.741 N/A ARG 297.A NH2 LEU 615.A O no hydrogen 2.723 N/A ARG 298.A N ASP 294.A O no hydrogen 2.924 N/A ARG 298.A NE ASP 294.A OD1 no hydrogen 2.401 N/A ALA 299.A N ALA 295.A O no hydrogen 2.906 N/A HIS 300.A N LEU 296.A O no hydrogen 2.922 N/A LEU 301.A N ARG 297.A O no hydrogen 2.928 N/A VAL 302.A N ARG 298.A O no hydrogen 2.880 N/A SER 308.A OG TRP 307.A O no hydrogen 2.467 N/A SER 308.A OG GLU 497.A OE2 no hydrogen 2.580 N/A ALA 311.A N PHE 514.A O no hydrogen 3.241 N/A ARG 315.A NE ASN 527.A OD1 no hydrogen 3.354 N/A LEU 322.A N GLY 319.A O no hydrogen 3.344 N/A LEU 326.A N LEU 322.A O no hydrogen 2.912 N/A THR 327.A N ALA 323.A O no hydrogen 2.888 N/A THR 327.A N ARG 324.A O no hydrogen 2.911 N/A THR 327.A OG1 ALA 323.A O no hydrogen 2.933 N/A ALA 328.A N ARG 324.A O no hydrogen 2.916 N/A GLY 330.A N THR 327.A O no hydrogen 2.646 N/A GLN 334.A N VAL 499.A O no hydrogen 3.288 N/A GLN 341.A N PRO 337.A O no hydrogen 2.990 N/A ALA 345.A N GLN 341.A O no hydrogen 2.925 N/A ALA 346.A N PRO 342.A O no hydrogen 2.890 N/A LEU 347.A N ALA 343.A O no hydrogen 3.509 N/A LEU 348.A N ALA 344.A O no hydrogen 2.888 N/A THR 349.A N ALA 345.A O no hydrogen 2.843 N/A THR 349.A OG1 ALA 345.A O no hydrogen 3.318 N/A VAL 350.A N ALA 346.A O no hydrogen 2.949 N/A LEU 351.A N LEU 347.A O no hydrogen 2.912 N/A ASP 352.A N LEU 348.A O no hydrogen 2.832 N/A VAL 353.A N THR 349.A O no hydrogen 2.883 N/A THR 354.A N VAL 350.A O no hydrogen 2.911 N/A THR 354.A OG1 VAL 350.A O no hydrogen 2.736 N/A ALA 355.A N LEU 351.A O no hydrogen 2.917 N/A THR 356.A N ASP 352.A O no hydrogen 2.917 N/A THR 356.A OG1 ASP 352.A O no hydrogen 3.068 N/A THR 356.A OG1 ASP 352.A OD1 no hydrogen 3.416 N/A GLY 357.A N VAL 353.A O no hydrogen 2.890 N/A SER 363.A N ASP 360.A O no hydrogen 3.133 N/A SER 363.A OG ASP 360.A O no hydrogen 2.796 N/A ALA 364.A N ALA 361.A O no hydrogen 2.946 N/A VAL 365.A N ALA 361.A O no hydrogen 3.476 N/A LEU 367.A N ALA 364.A O no hydrogen 3.432 N/A LEU 368.A N VAL 365.A O no hydrogen 2.797 N/A THR 379.A N ASP 376.A O no hydrogen 2.844 N/A THR 379.A OG1 ASP 376.A OD1 no hydrogen 2.416 N/A LEU 380.A N ASP 376.A O no hydrogen 2.946 N/A ARG 381.A N PRO 377.A O no hydrogen 2.932 N/A GLN 382.A N THR 379.A O no hydrogen 3.046 N/A LEU 383.A N THR 379.A O no hydrogen 2.896 N/A ARG 384.A N LEU 380.A O no hydrogen 2.898 N/A ALA 386.A N GLN 382.A O no hydrogen 2.895 N/A LEU 387.A N LEU 383.A O no hydrogen 2.883 N/A ARG 388.A N ARG 384.A O no hydrogen 2.958 N/A ARG 389.A N ALA 386.A O no hydrogen 3.114 N/A ALA 390.A N LEU 387.A O no hydrogen 2.817 N/A SER 393.A OG ASP 391.A O no hydrogen 3.203 N/A ARG 397.A NH1 ASP 391.A OD2 no hydrogen 3.544 N/A LEU 402.A N ASP 398.A O no hydrogen 2.956 N/A LEU 403.A N PHE 399.A O no hydrogen 2.845 N/A VAL 404.A N GLY 400.A O no hydrogen 2.954 N/A ASP 405.A N ASP 401.A O no hydrogen 2.997 N/A ALA 406.A N LEU 402.A O no hydrogen 2.907 N/A ILE 407.A N LEU 403.A O no hydrogen 2.874 N/A GLU 408.A N VAL 404.A O no hydrogen 2.962 N/A ARG 409.A N ASP 405.A O no hydrogen 2.921 N/A ARG 420.A N GLU 417.A O no hydrogen 3.203 N/A THR 421.A OG1 HIS 418.A O no hydrogen 3.207 N/A LEU 422.A N HIS 418.A O no hydrogen 3.335 N/A ARG 423.A N ALA 419.A O no hydrogen 2.840 N/A ARG 424.A N ARG 420.A O no hydrogen 2.954 N/A ARG 426.A N LEU 422.A O no hydrogen 2.907 N/A ALA 427.A N ARG 423.A O no hydrogen 2.897 N/A VAL 428.A N ARG 424.A O no hydrogen 2.968 N/A LEU 429.A N LEU 425.A O no hydrogen 2.908 N/A THR 430.A N ARG 426.A O no hydrogen 2.902 N/A THR 430.A OG1 ARG 426.A O no hydrogen 2.816 N/A ALA 431.A N ALA 427.A O no hydrogen 2.892 N/A ALA 432.A N VAL 428.A O no hydrogen 2.923 N/A ARG 434.A N ALA 431.A O no hydrogen 3.064 N/A LEU 441.A N ARG 438.A O no hydrogen 2.990 N/A TRP 442.A N ARG 438.A O no hydrogen 3.377 N/A GLN 443.A N TYR 439.A O no hydrogen 2.957 N/A ALA 444.A N THR 440.A O no hydrogen 2.898 N/A TRP 445.A N LEU 441.A O no hydrogen 2.925 N/A HIS 446.A N TRP 442.A O no hydrogen 2.873 N/A ALA 447.A N GLN 443.A O no hydrogen 2.922 N/A SER 448.A N ALA 444.A O no hydrogen 3.475 N/A SER 448.A OG ALA 444.A O no hydrogen 3.274 N/A SER 448.A OG TRP 445.A O no hydrogen 3.295 N/A ARG 453.A N GLY 449.A O no hydrogen 3.201 N/A TRP 454.A N LEU 450.A O no hydrogen 2.875 N/A LEU 455.A N GLN 451.A O no hydrogen 2.946 N/A ALA 456.A N ARG 452.A O no hydrogen 2.866 N/A ALA 457.A N TRP 454.A O no hydrogen 2.940 N/A ALA 465.A N VAL 461.A O no hydrogen 3.326 N/A ASP 466.A N GLY 462.A O no hydrogen 3.349 N/A ARG 467.A N ALA 463.A O no hydrogen 2.914 N/A ARG 467.A NE GLN 464.A OE1 no hydrogen 3.124 N/A ARG 467.A NH2 GLN 464.A OE1 no hydrogen 2.370 N/A ASP 468.A N GLN 464.A O no hydrogen 2.882 N/A LEU 469.A N ALA 465.A O no hydrogen 2.907 N/A ASP 470.A N ASP 466.A O no hydrogen 2.925 N/A ALA 471.A N ARG 467.A O no hydrogen 2.960 N/A VAL 472.A N ASP 468.A O no hydrogen 2.925 N/A THR 473.A N LEU 469.A O no hydrogen 2.885 N/A THR 473.A OG1 LEU 469.A O no hydrogen 2.807 N/A THR 473.A OG1 ASP 470.A O no hydrogen 2.621 N/A THR 474.A N ASP 470.A O no hydrogen 2.958 N/A THR 474.A OG1 ASP 470.A O no hydrogen 3.084 N/A THR 474.A OG1 ALA 471.A O no hydrogen 2.318 N/A LEU 475.A N ALA 471.A O no hydrogen 2.934 N/A PHE 476.A N VAL 472.A O no hydrogen 2.882 N/A ASP 477.A N THR 473.A O no hydrogen 2.901 N/A VAL 478.A N THR 474.A O no hydrogen 2.933 N/A ALA 479.A N LEU 475.A O no hydrogen 2.898 N/A ASP 480.A N PHE 476.A O no hydrogen 2.889 N/A GLN 481.A N ASP 477.A O no hydrogen 2.907 N/A TYR 482.A N VAL 478.A O no hydrogen 2.917 N/A VAL 483.A N ALA 479.A O no hydrogen 2.896 N/A ASN 484.A N ASP 480.A O no hydrogen 2.905 N/A ARG 485.A N TYR 482.A O no hydrogen 3.321 N/A ARG 487.A NH1 ARG 487.A O no hydrogen 2.242 N/A LEU 489.A N LEU 486.A O no hydrogen 2.751 N/A VAL 493.A N LEU 489.A O no hydrogen 2.992 N/A THR 494.A OG1 VAL 490.A O no hydrogen 2.647 N/A LEU 502.A N VAL 312.A O no hydrogen 3.435 N/A ALA 507.A N SER 503.A O no hydrogen 3.021 N/A ALA 507.A N VAL 504.A O no hydrogen 2.897 N/A ASP 513.A N GLN 309.A O no hydrogen 2.787 N/A VAL 515.A N ARG 579.A O no hydrogen 3.153 N/A VAL 516.A N ALA 311.A O no hydrogen 3.127 N/A ILE 517.A N MET 581.A O no hydrogen 2.797 N/A ALA 518.A N VAL 516.A O no hydrogen 3.131 N/A TRP 525.A N GLN 521.A O no hydrogen 3.172 N/A ARG 531.A NE SER 556.A O no hydrogen 3.190 N/A ARG 531.A NH2 SER 556.A O no hydrogen 3.138 N/A LEU 540.A N GLY 536.A O no hydrogen 2.914 N/A VAL 541.A N THR 537.A O no hydrogen 2.894 N/A ASP 542.A N ASP 542.A OD1 no hydrogen 2.448 N/A LEU 544.A N LEU 540.A O no hydrogen 2.840 N/A ASP 545.A N VAL 541.A O no hydrogen 2.867 N/A ASP 552.A N MET 550.A O no hydrogen 2.560 N/A GLU 565.A N VAL 562.A O no hydrogen 2.629 N/A ARG 566.A N VAL 562.A O no hydrogen 2.785 N/A ARG 567.A NH1 ASP 225.A OD1 no hydrogen 2.503 N/A LEU 568.A N GLU 565.A O no hydrogen 3.311 N/A MET 570.A N ARG 566.A O no hydrogen 2.952 N/A ALA 571.A N ARG 567.A O no hydrogen 2.890 N/A ALA 572.A N LEU 568.A O no hydrogen 2.848 N/A MET 573.A N LEU 569.A O no hydrogen 2.975 N/A ARG 575.A N ALA 572.A O no hydrogen 3.090 N/A ARG 575.A NH2 LEU 508.A O no hydrogen 3.310 N/A ALA 576.A N MET 573.A O no hydrogen 3.052 N/A ARG 577.A N TRP 512.A O no hydrogen 3.106 N/A ARG 577.A NH1 ASP 513.A OD1 no hydrogen 2.234 N/A ARG 579.A N ASP 513.A O no hydrogen 3.168 N/A VAL 580.A N THR 276.A O no hydrogen 3.363 N/A ILE 582.A N THR 278.A O no hydrogen 3.257 N/A THR 583.A N ILE 517.A O no hydrogen 3.210 N/A ASP 586.A N ALA 282.A O no hydrogen 3.189 N/A SER 587.A OG THR 589.A O no hydrogen 2.984 N/A LEU 592.A N GLN 521.A OE1 no hydrogen 2.647 N/A SER 594.A OG VAL 520.A O no hydrogen 2.200 N/A CYS 597.A N SER 594.A O no hydrogen 3.234 N/A ILE 600.A N PHE 596.A O no hydrogen 2.916 N/A SER 601.A N CYS 597.A O no hydrogen 2.927 N/A ALA 602.A N GLU 599.A O no hydrogen 3.109 N/A THR 605.A N VAL 277.A O no hydrogen 3.073 N/A THR 605.A OG1 THR 276.A OG1 no hydrogen 2.211 N/A THR 605.A OG1 VAL 277.A O no hydrogen 3.464 N/A ALA 619.A N ALA 616.A O no hydrogen 2.907 N/A LEU 620.A N ALA 616.A O no hydrogen 2.874 N/A VAL 621.A N PRO 617.A O no hydrogen 2.955 N/A ARG 623.A N ALA 619.A O no hydrogen 2.939 N/A ARG 623.A N LEU 620.A O no hydrogen 3.193 N/A LEU 624.A N LEU 620.A O no hydrogen 2.896 N/A ARG 625.A N VAL 621.A O no hydrogen 2.935 N/A ALA 626.A N ARG 623.A O no hydrogen 3.051 N/A VAL 627.A N LEU 624.A O no hydrogen 2.849 N/A VAL 628.A N LEU 624.A O no hydrogen 3.409 N/A CYS 629.A SG ARG 625.A O no hydrogen 3.658 N/A ARG 638.A N ASP 634.A O no hydrogen 2.886 N/A ARG 638.A NH2 ALA 630.A O no hydrogen 2.588 N/A CYS 640.A N ASP 636.A O no hydrogen 3.019 N/A ALA 641.A N ALA 637.A O no hydrogen 2.841 N/A ALA 642.A N ARG 638.A O no hydrogen 2.913 N/A ALA 643.A N ALA 639.A O no hydrogen 2.962 N/A GLN 644.A N CYS 640.A O no hydrogen 2.940 N/A LEU 645.A N ALA 641.A O no hydrogen 2.865 N/A ALA 646.A N ALA 642.A O no hydrogen 2.941 N/A ARG 647.A N ALA 643.A O no hydrogen 2.958 N/A LEU 648.A N GLN 644.A O no hydrogen 2.877 N/A ALA 649.A N LEU 645.A O no hydrogen 2.893 N/A ALA 650.A N ALA 646.A O no hydrogen 2.944 N/A ALA 650.A N ARG 647.A O no hydrogen 3.301 N/A ALA 651.A N LEU 648.A O no hydrogen 3.127 N/A GLY 652.A N LEU 648.A O no hydrogen 3.157 N/A GLN 660.A N ASP 657.A O no hydrogen 2.933 N/A TRP 661.A NE1 ALA 656.A O no hydrogen 2.293 N/A MET 664.A N TRP 661.A O no hydrogen 3.394 N/A THR 665.A N HIS 662.A O no hydrogen 3.030 N/A THR 665.A OG1 HIS 662.A O no hydrogen 2.841 N/A TRP 674.A NE1 THR 886.A OG1 no hydrogen 3.158 N/A VAL 679.A N GLY 791.A O no hydrogen 2.845 N/A SER 682.A OG THR 685.A OG1 no hydrogen 2.661 N/A THR 685.A OG1 SER 682.A OG no hydrogen 2.661 N/A LEU 686.A N SER 682.A O no hydrogen 3.198 N/A GLN 687.A N SER 684.A O no hydrogen 2.987 N/A MET 688.A N THR 685.A O no hydrogen 3.029 N/A LEU 689.A N THR 685.A O no hydrogen 2.918 N/A THR 690.A N LEU 686.A O no hydrogen 2.928 N/A THR 690.A OG1 LEU 686.A O no hydrogen 2.979 N/A THR 690.A OG1 GLN 687.A O no hydrogen 3.510 N/A ASP 691.A N MET 688.A O no hydrogen 3.200 N/A CYS 692.A N MET 688.A O no hydrogen 2.932 N/A CYS 692.A SG ARG 894.A O no hydrogen 3.554 N/A LEU 694.A N VAL 892.A O no hydrogen 3.087 N/A ARG 695.A NE GLU 699.A OE1 no hydrogen 2.906 N/A TRP 696.A N CYS 692.A O no hydrogen 2.923 N/A LEU 697.A N PRO 693.A O no hydrogen 2.955 N/A LEU 698.A N LEU 694.A O no hydrogen 2.918 N/A GLU 699.A N ARG 695.A O no hydrogen 2.910 N/A ARG 700.A N TRP 696.A O no hydrogen 2.899 N/A HIS 701.A N LEU 697.A O no hydrogen 2.949 N/A HIS 701.A ND1 LEU 697.A O no hydrogen 3.053 N/A ASP 704.A N GLY 702.A O no hydrogen 3.243 N/A VAL 713.A N VAL 709.A O no hydrogen 3.364 N/A SER 715.A N SER 711.A O no hydrogen 3.318 N/A SER 715.A OG THR 712.A O no hydrogen 3.038 N/A LEU 716.A N THR 712.A O no hydrogen 2.867 N/A VAL 717.A N VAL 713.A O no hydrogen 2.924 N/A HIS 718.A N GLY 714.A O no hydrogen 2.933 N/A HIS 718.A ND1 GLY 714.A O no hydrogen 3.044 N/A ALA 719.A N SER 715.A O no hydrogen 2.893 N/A LEU 720.A N LEU 716.A O no hydrogen 2.936 N/A VAL 721.A N VAL 717.A O no hydrogen 2.923 N/A SER 722.A N HIS 718.A O no hydrogen 2.906 N/A SER 722.A OG GLU 779.A OE1 no hydrogen 2.441 N/A GLN 728.A N THR 725.A O no hydrogen 3.134 N/A LEU 729.A N GLU 726.A O no hydrogen 3.013 N/A GLU 732.A N LEU 729.A O no hydrogen 2.869 N/A LEU 733.A N LEU 729.A O no hydrogen 2.967 N/A GLU 734.A N VAL 730.A O no hydrogen 2.878 N/A TRP 737.A N LEU 733.A O no hydrogen 2.926 N/A TRP 737.A NE1 SER 748.A OG no hydrogen 3.081 N/A ASP 739.A N VAL 736.A O no hydrogen 3.423 N/A LYS 745.A NZ LYS 745.A O no hydrogen 2.925 N/A LYS 745.A NZ ASP 749.A OD1 no hydrogen 2.709 N/A LYS 745.A NZ ASP 749.A OD2 no hydrogen 2.947 N/A TYR 747.A N ALA 744.A O no hydrogen 2.924 N/A TYR 747.A OH GLU 751.A OE2 no hydrogen 2.680 N/A SER 748.A N ALA 744.A O no hydrogen 2.992 N/A SER 748.A N LYS 745.A O no hydrogen 3.197 N/A GLU 751.A N TYR 747.A O no hydrogen 2.970 N/A LEU 752.A N SER 748.A O no hydrogen 2.912 N/A ALA 753.A N ASP 749.A O no hydrogen 2.918 N/A ARG 754.A N ASN 750.A O no hydrogen 2.944 N/A HIS 755.A N GLU 751.A O no hydrogen 2.909 N/A ARG 756.A N LEU 752.A O no hydrogen 2.931 N/A ARG 756.A NH2 GLU 734.A OE2 no hydrogen 2.281 N/A ALA 757.A N ALA 753.A O no hydrogen 3.000 N/A MET 758.A N ARG 754.A O no hydrogen 2.889 N/A LEU 759.A N HIS 755.A O no hydrogen 2.951 N/A GLU 760.A N ARG 756.A O no hydrogen 2.999 N/A THR 761.A N ALA 757.A O no hydrogen 2.877 N/A THR 761.A OG1 ALA 757.A O no hydrogen 2.965 N/A PHE 762.A N MET 758.A O no hydrogen 2.940 N/A THR 763.A N LEU 759.A O no hydrogen 3.010 N/A THR 763.A OG1 GLU 726.A OE1 no hydrogen 2.795 N/A THR 763.A OG1 LEU 759.A O no hydrogen 3.252 N/A THR 763.A OG1 GLU 760.A O no hydrogen 2.806 N/A ARG 764.A N GLU 760.A O no hydrogen 2.961 N/A TRP 765.A N THR 761.A O no hydrogen 2.929 N/A ARG 766.A N PHE 762.A O no hydrogen 2.882 N/A GLU 767.A N THR 763.A O no hydrogen 2.975 N/A ASP 768.A N ARG 764.A O no hydrogen 2.914 N/A THR 769.A N TRP 765.A O no hydrogen 2.924 N/A THR 769.A OG1 TRP 765.A O no hydrogen 3.032 N/A ARG 770.A N ARG 766.A O no hydrogen 2.965 N/A ARG 770.A NE LEU 773.A O no hydrogen 2.954 N/A ARG 770.A NH2 LEU 773.A O no hydrogen 3.209 N/A ARG 770.A NH2 GLU 802.A OE2 no hydrogen 2.388 N/A LEU 773.A N THR 769.A O no hydrogen 3.416 N/A THR 774.A N ARG 803.A O no hydrogen 3.113 N/A THR 774.A OG1 ARG 803.A O no hydrogen 3.317 N/A GLU 779.A N ASP 799.A O no hydrogen 3.112 N/A VAL 782.A N GLY 796.A O no hydrogen 2.915 N/A GLY 784.A N VAL 794.A O no hydrogen 3.384 N/A ARG 793.A NH2 GLU 783.A OE2 no hydrogen 2.740 N/A GLY 796.A N VAL 782.A O no hydrogen 2.919 N/A LEU 798.A N ILE 780.A O no hydrogen 2.963 N/A ARG 800.A NH1 GLU 775.A OE1 no hydrogen 2.274 N/A LEU 801.A N ALA 777.A O no hydrogen 3.028 N/A GLU 802.A N VAL 810.A O no hydrogen 2.908 N/A ARG 803.A N THR 774.A O no hydrogen 2.547 N/A GLU 805.A N ASP 804.A OD1 no hydrogen 2.468 N/A VAL 810.A N GLU 802.A O no hydrogen 2.790 N/A VAL 811.A N GLY 850.A O no hydrogen 3.133 N/A VAL 812.A N ARG 800.A O no hydrogen 3.149 N/A LYS 815.A N VAL 854.A O no hydrogen 3.097 N/A SER 819.A OG SER 819.A O no hydrogen 2.556 N/A VAL 821.A N TYR 855.A OH no hydrogen 3.325 N/A THR 822.A OG1 ASP 824.A OD1 no hydrogen 2.481 N/A ASP 825.A N THR 822.A OG1 no hydrogen 3.044 N/A ALA 826.A N THR 822.A O no hydrogen 3.130 N/A GLN 827.A N ASP 824.A O no hydrogen 3.382 N/A ASN 828.A N ASP 825.A O no hydrogen 3.285 N/A ALA 833.A N HIS 829.A O no hydrogen 3.078 N/A MET 834.A N ALA 830.A O no hydrogen 2.953 N/A TYR 835.A N GLN 831.A O no hydrogen 2.936 N/A GLN 836.A N LEU 832.A O no hydrogen 2.924 N/A LEU 837.A N ALA 833.A O no hydrogen 2.884 N/A ALA 838.A N MET 834.A O no hydrogen 2.906 N/A VAL 839.A N TYR 835.A O no hydrogen 2.914 N/A ALA 840.A N GLN 836.A O no hydrogen 2.899 N/A ALA 841.A N LEU 837.A O no hydrogen 3.128 N/A GLY 842.A N VAL 839.A O no hydrogen 2.966 N/A LEU 844.A N GLY 842.A O no hydrogen 2.638 N/A GLY 851.A N GLN 864.A O no hydrogen 3.409 N/A LYS 852.A NZ GLU 861.A OE1 no hydrogen 2.939 N/A LYS 852.A NZ GLU 861.A OE2 no hydrogen 3.487 N/A TYR 855.A N THR 860.A O no hydrogen 3.066 N/A LEU 856.A N LYS 815.A O no hydrogen 2.925 N/A ARG 862.A N LYS 852.A O no hydrogen 3.227 N/A ARG 862.A NE VAL 821.A O no hydrogen 2.979 N/A ASP 865.A N GLN 827.A OE1 no hydrogen 2.413 N/A LYS 871.A NZ GLU 874.A OE1 no hydrogen 2.564 N/A ARG 872.A N THR 868.A O no hydrogen 2.561 N/A ALA 873.A N PRO 869.A O no hydrogen 3.376 N/A TRP 875.A N LYS 871.A O no hydrogen 3.033 N/A LEU 876.A N ARG 872.A O no hydrogen 2.902 N/A GLU 877.A N ALA 873.A O no hydrogen 2.912 N/A THR 878.A N GLU 874.A O no hydrogen 2.905 N/A THR 878.A OG1 GLU 874.A O no hydrogen 3.136 N/A THR 878.A OG1 GLU 874.A OE2 no hydrogen 2.922 N/A VAL 879.A N TRP 875.A O no hydrogen 2.908 N/A GLY 880.A N LEU 876.A O no hydrogen 2.924 N/A GLU 881.A N GLU 877.A O no hydrogen 2.926 N/A ALA 882.A N THR 878.A O no hydrogen 2.929 N/A ALA 883.A N VAL 879.A O no hydrogen 2.917 N/A ALA 884.A N GLY 880.A O no hydrogen 2.927 N/A ALA 885.A N GLU 881.A O no hydrogen 2.897 N/A THR 886.A N ALA 882.A O no hydrogen 3.009 N/A THR 886.A N ALA 883.A O no hydrogen 3.232 N/A THR 886.A OG1 ALA 883.A O no hydrogen 2.834 N/A ALA 887.A N ALA 884.A O no hydrogen 3.097 N/A ARG 894.A NH1 ASP 691.A O no hydrogen 2.473 N/A CYS 899.A N ASN 896.A O no hydrogen 3.274 N/A CYS 902.A SG VAL 904.A O no hydrogen 3.007 N/A ARG 905.A NE CYS 899.A O no hydrogen 3.084 N/A