Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5nik_J.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ILE 31.A O no hydrogen 2.944 N/A LYS 8.A NZ THR 64.A O no hydrogen 3.558 N/A LYS 8.A NZ THR 64.A OG1 no hydrogen 2.534 N/A ASP 9.A N ILE 27.A O no hydrogen 2.299 N/A ARG 11.A N SER 62.A OG no hydrogen 2.659 N/A ARG 12.A NE ASP 58.A O no hydrogen 3.079 N/A ARG 12.A NH1 TYR 14.A OH no hydrogen 2.818 N/A ARG 12.A NH2 ASP 58.A O no hydrogen 2.704 N/A ALA 16.A N TYR 14.A O no hydrogen 2.904 N/A GLU 19.A N ALA 16.A O no hydrogen 2.927 N/A GLN 20.A N GLN 20.A OE1 no hydrogen 2.658 N/A VAL 21.A N TYR 14.A O no hydrogen 2.886 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.644 N/A VAL 23.A N VAL 21.A O no hydrogen 2.609 N/A LYS 25.A N GLY 219.A O no hydrogen 2.612 N/A LYS 25.A NZ ASP 218.A O no hydrogen 3.442 N/A ILE 31.A N LEU 5.A O no hydrogen 2.893 N/A VAL 37.A N VAL 197.A O no hydrogen 3.122 N/A ALA 38.A N ARG 212.A O no hydrogen 2.749 N/A SER 45.A OG ALA 42.A O no hydrogen 2.900 N/A LYS 47.A N SER 45.A OG no hydrogen 3.329 N/A LYS 47.A NZ GLY 41.A O no hydrogen 3.133 N/A LYS 47.A NZ ALA 42.A O no hydrogen 2.552 N/A LEU 50.A N GLY 46.A O no hydrogen 2.384 N/A MET 51.A N LYS 47.A O no hydrogen 2.867 N/A ASN 52.A N SER 48.A O no hydrogen 2.881 N/A ILE 53.A N THR 49.A O no hydrogen 2.924 N/A LEU 54.A N LEU 50.A O no hydrogen 2.898 N/A GLY 55.A N MET 51.A O no hydrogen 2.545 N/A CYS 56.A N ILE 53.A O no hydrogen 2.760 N/A CYS 56.A SG ILE 53.A O no hydrogen 3.466 N/A LEU 57.A N ASN 52.A O no hydrogen 2.464 N/A THR 61.A OG1 ALA 60.A O no hydrogen 2.368 N/A SER 62.A OG ARG 11.A O no hydrogen 2.485 N/A SER 62.A OG ALA 60.A O no hydrogen 3.474 N/A THR 64.A OG1 THR 64.A O no hydrogen 2.612 N/A ARG 66.A N GLU 6.A O no hydrogen 3.276 N/A VAL 67.A N TYR 65.A O no hydrogen 3.097 N/A ALA 68.A N LEU 4.A O no hydrogen 2.433 N/A GLY 69.A N ARG 66.A O no hydrogen 3.128 N/A GLN 70.A N VAL 67.A O no hydrogen 2.568 N/A GLN 70.A NE2 ASP 71.A O no hydrogen 3.504 N/A VAL 72.A N TYR 65.A O no hydrogen 2.958 N/A ALA 73.A N ASP 71.A OD1 no hydrogen 3.261 N/A ASP 78.A N ASP 76.A OD1 no hydrogen 3.071 N/A LEU 80.A N ASP 76.A O no hydrogen 2.564 N/A ALA 81.A N ALA 77.A O no hydrogen 2.916 N/A GLN 82.A N ASP 78.A O no hydrogen 2.907 N/A LEU 83.A N ALA 79.A O no hydrogen 2.869 N/A ARG 84.A N LEU 80.A O no hydrogen 2.900 N/A ARG 85.A N ALA 81.A O no hydrogen 2.929 N/A GLU 86.A N GLN 82.A O no hydrogen 2.885 N/A HIS 87.A N ARG 84.A O no hydrogen 3.212 N/A GLY 89.A N VAL 165.A O no hydrogen 2.661 N/A ILE 91.A N LEU 167.A O no hydrogen 3.005 N/A TYR 95.A N PHE 92.A O no hydrogen 3.313 N/A GLN 105.A N THR 102.A O no hydrogen 2.750 N/A ASN 106.A N THR 102.A O no hydrogen 2.944 N/A ASN 106.A ND2 LEU 101.A O no hydrogen 2.969 N/A ASN 106.A ND2 THR 102.A O no hydrogen 2.739 N/A VAL 107.A N ALA 103.A O no hydrogen 2.921 N/A GLU 108.A N GLU 104.A O no hydrogen 2.888 N/A VAL 109.A N GLN 105.A O no hydrogen 2.945 N/A VAL 112.A N VAL 109.A O no hydrogen 2.887 N/A LEU 122.A N ARG 118.A O no hydrogen 2.887 N/A LEU 123.A N LYS 119.A O no hydrogen 2.934 N/A ARG 124.A N GLN 120.A O no hydrogen 2.915 N/A ALA 125.A N ARG 121.A O no hydrogen 2.878 N/A GLN 126.A N LEU 122.A O no hydrogen 2.901 N/A GLU 127.A N LEU 123.A O no hydrogen 2.948 N/A LEU 128.A N ARG 124.A O no hydrogen 2.895 N/A LEU 129.A N ALA 125.A O no hydrogen 2.862 N/A LEU 129.A N GLN 126.A O no hydrogen 3.143 N/A GLN 130.A N GLN 126.A O no hydrogen 2.915 N/A ARG 131.A N GLU 127.A O no hydrogen 2.900 N/A LEU 132.A N LEU 128.A O no hydrogen 2.948 N/A GLY 133.A N GLN 130.A O no hydrogen 2.947 N/A LEU 134.A N LEU 129.A O no hydrogen 2.580 N/A THR 138.A N GLU 135.A O no hydrogen 3.204 N/A THR 138.A OG1 GLU 135.A O no hydrogen 2.559 N/A TYR 140.A N ARG 137.A O no hydrogen 3.010 N/A TYR 141.A N GLN 144.A OE1 no hydrogen 2.792 N/A GLN 144.A N TYR 141.A O no hydrogen 2.782 N/A LEU 145.A N PRO 142.A O no hydrogen 2.852 N/A SER 146.A N GLN 149.A OE1 no hydrogen 3.344 N/A GLN 150.A N SER 146.A O no hydrogen 2.932 N/A GLN 150.A NE2 PRO 142.A O no hydrogen 2.289 N/A GLN 151.A N GLY 147.A O no hydrogen 2.899 N/A GLN 151.A NE2 GLN 93.A O no hydrogen 3.433 N/A ARG 152.A N GLY 148.A O no hydrogen 2.903 N/A VAL 153.A N GLN 149.A O no hydrogen 2.895 N/A SER 154.A N GLN 150.A O no hydrogen 2.969 N/A SER 154.A OG GLN 151.A O no hydrogen 2.168 N/A ILE 155.A N GLN 151.A O no hydrogen 2.913 N/A ALA 156.A N ARG 152.A O no hydrogen 2.897 N/A ARG 157.A N VAL 153.A O no hydrogen 2.888 N/A ARG 157.A NH1 HIS 96.A O no hydrogen 2.999 N/A ARG 157.A NH2 PHE 90.A O no hydrogen 3.035 N/A ALA 158.A N SER 154.A O no hydrogen 2.940 N/A LEU 159.A N ILE 155.A O no hydrogen 2.863 N/A MET 160.A N ALA 156.A O no hydrogen 2.945 N/A ASN 161.A N ALA 158.A O no hydrogen 3.276 N/A ASN 161.A ND2 ARG 157.A O no hydrogen 3.396 N/A GLY 162.A N LEU 159.A O no hydrogen 2.717 N/A GLN 164.A N GLN 164.A OE1 no hydrogen 2.625 N/A GLN 164.A NE2 ASN 161.A O no hydrogen 2.918 N/A VAL 165.A N HIS 87.A O no hydrogen 3.232 N/A ASP 169.A N ILE 91.A O no hydrogen 2.769 N/A GLY 173.A N GLU 170.A O no hydrogen 3.438 N/A LEU 175.A N THR 172.A O no hydrogen 3.391 N/A SER 179.A OG ASP 176.A OD1 no hydrogen 2.366 N/A GLY 180.A N ASP 176.A O no hydrogen 2.830 N/A GLU 181.A N SER 177.A O no hydrogen 2.880 N/A GLU 182.A N HIS 178.A O no hydrogen 2.923 N/A VAL 183.A N SER 179.A O no hydrogen 2.882 N/A MET 184.A N GLY 180.A O no hydrogen 2.920 N/A ALA 185.A N GLU 181.A O no hydrogen 2.863 N/A ILE 186.A N GLU 182.A O no hydrogen 2.959 N/A LEU 187.A N VAL 183.A O no hydrogen 2.856 N/A HIS 188.A N MET 184.A O no hydrogen 2.906 N/A HIS 188.A ND1 MET 184.A O no hydrogen 2.364 N/A HIS 188.A NE2 GLN 209.A O no hydrogen 3.161 N/A GLN 189.A N ALA 185.A O no hydrogen 2.907 N/A LEU 190.A N ILE 186.A O no hydrogen 2.896 N/A ARG 191.A N LEU 187.A O no hydrogen 2.892 N/A ARG 191.A NE GLU 211.A OE1 no hydrogen 2.622 N/A ARG 191.A NH2 GLU 211.A OE1 no hydrogen 2.426 N/A ASP 192.A N HIS 188.A O no hydrogen 2.870 N/A ARG 193.A N GLN 189.A O no hydrogen 2.594 N/A ARG 193.A NH1 ARG 193.A O no hydrogen 2.957 N/A GLY 194.A N ARG 191.A O no hydrogen 2.951 N/A HIS 195.A N LEU 190.A O no hydrogen 3.150 N/A THR 196.A N GLN 164.A O no hydrogen 3.237 N/A THR 196.A OG1 TYR 32.A O no hydrogen 3.113 N/A VAL 197.A N GLU 35.A O no hydrogen 2.794 N/A ILE 198.A N ILE 166.A O no hydrogen 2.558 N/A VAL 200.A N ALA 168.A O no hydrogen 2.899 N/A THR 201.A OG1 GLU 170.A OE1 no hydrogen 3.238 N/A THR 201.A OG1 GLU 170.A OE2 no hydrogen 3.316 N/A ASP 203.A N THR 201.A OG1 no hydrogen 2.813 N/A GLN 205.A N ASP 203.A OD1 no hydrogen 2.924 N/A ALA 207.A N ASP 203.A O no hydrogen 3.230 N/A ALA 208.A N GLN 205.A O no hydrogen 3.164 N/A GLN 209.A N VAL 206.A O no hydrogen 3.126 N/A ALA 210.A N ALA 207.A O no hydrogen 2.968 N/A GLU 211.A N MET 36.A O no hydrogen 3.136 N/A ARG 212.A NE ASN 224.A OD1 no hydrogen 3.142 N/A ARG 212.A NH1 ASP 30.A O no hydrogen 3.335 N/A ARG 212.A NH2 ASP 30.A O no hydrogen 3.287 N/A ILE 216.A N VAL 40.A O no hydrogen 3.416 N/A ARG 217.A N GLU 220.A O no hydrogen 2.650 N/A GLU 220.A N ARG 217.A O no hydrogen 3.087 N/A ARG 223.A N GLU 215.A O no hydrogen 2.948 N/A VAL 232.A N TRP 228.A O no hydrogen 2.960 N/A SER 233.A N ARG 229.A O no hydrogen 2.921 N/A SER 233.A OG ARG 229.A O no hydrogen 2.955 N/A PHE 235.A N PHE 231.A O no hydrogen 2.877 N/A ASN 236.A N VAL 232.A O no hydrogen 2.967 N/A GLU 237.A N SER 233.A O no hydrogen 2.900 N/A ALA 238.A N GLY 234.A O no hydrogen 2.918 N/A THR 240.A N ASN 236.A O no hydrogen 2.962 N/A THR 240.A OG1 ASN 236.A O no hydrogen 3.417 N/A MET 241.A N GLU 237.A O no hydrogen 2.910 N/A ALA 242.A N ALA 238.A O no hydrogen 2.859 N/A TRP 243.A N LEU 239.A O no hydrogen 2.908 N/A ARG 244.A N THR 240.A O no hydrogen 2.937 N/A ARG 244.A NE HIS 100.A O no hydrogen 2.708 N/A ARG 244.A NH2 SER 99.A O no hydrogen 3.415 N/A ALA 245.A N MET 241.A O no hydrogen 2.884 N/A LEU 246.A N ALA 242.A O no hydrogen 2.866 N/A ALA 247.A N TRP 243.A O no hydrogen 2.917 N/A ALA 248.A N ARG 244.A O no hydrogen 2.931 N/A ALA 248.A N ALA 245.A O no hydrogen 3.205 N/A ASN 249.A N LEU 246.A O no hydrogen 2.881 N/A ARG 252.A NH1 GLU 531.A OE2 no hydrogen 3.294 N/A THR 253.A N ASN 249.A O no hydrogen 2.880 N/A THR 253.A OG1 LEU 246.A O no hydrogen 3.567 N/A THR 253.A OG1 ASN 249.A O no hydrogen 2.533 N/A LEU 254.A N LYS 250.A O no hydrogen 2.881 N/A LEU 255.A N MET 251.A O no hydrogen 2.936 N/A THR 256.A N ARG 252.A O no hydrogen 2.935 N/A THR 256.A OG1 ARG 252.A O no hydrogen 2.579 N/A MET 257.A N THR 253.A O no hydrogen 2.886 N/A LEU 258.A N LEU 254.A O no hydrogen 2.894 N/A GLY 259.A N LEU 255.A O no hydrogen 2.957 N/A ILE 260.A N THR 256.A O no hydrogen 2.998 N/A ILE 261.A N MET 257.A O no hydrogen 2.805 N/A ILE 262.A N LEU 258.A O no hydrogen 2.959 N/A ILE 264.A N ILE 260.A O no hydrogen 2.960 N/A ALA 265.A N ILE 261.A O no hydrogen 2.895 N/A SER 266.A N ILE 262.A O no hydrogen 2.957 N/A SER 266.A OG ILE 262.A O no hydrogen 2.773 N/A SER 266.A OG GLY 263.A O no hydrogen 2.247 N/A VAL 267.A N GLY 263.A O no hydrogen 2.898 N/A VAL 268.A N ILE 264.A O no hydrogen 2.969 N/A SER 269.A N ALA 265.A O no hydrogen 2.906 N/A SER 269.A OG ALA 265.A O no hydrogen 2.305 N/A ILE 270.A N SER 266.A O no hydrogen 2.905 N/A VAL 271.A N VAL 267.A O no hydrogen 2.946 N/A VAL 272.A N VAL 268.A O no hydrogen 2.911 N/A VAL 273.A N SER 269.A O no hydrogen 2.902 N/A GLY 274.A N ILE 270.A O no hydrogen 2.934 N/A ASP 275.A N VAL 271.A O no hydrogen 2.931 N/A ALA 276.A N VAL 272.A O no hydrogen 2.877 N/A ALA 277.A N VAL 273.A O no hydrogen 2.944 N/A LYS 278.A N GLY 274.A O no hydrogen 2.931 N/A GLN 279.A N ASP 275.A O no hydrogen 2.879 N/A MET 280.A N ALA 276.A O no hydrogen 2.904 N/A VAL 281.A N ALA 277.A O no hydrogen 2.949 N/A LEU 282.A N LYS 278.A O no hydrogen 2.908 N/A ALA 283.A N GLN 279.A O no hydrogen 2.901 N/A ASP 284.A N MET 280.A O no hydrogen 2.953 N/A ILE 285.A N VAL 281.A O no hydrogen 2.938 N/A ARG 286.A N LEU 282.A O no hydrogen 2.405 N/A SER 287.A OG ASP 284.A O no hydrogen 2.343 N/A ILE 288.A N ILE 285.A O no hydrogen 3.318 N/A THR 290.A OG1 GLY 289.A O no hydrogen 2.637 N/A THR 290.A OG1 ASP 489.A OD1 no hydrogen 3.239 N/A ASN 291.A ND2 ASP 489.A OD1 no hydrogen 2.393 N/A THR 292.A OG1 ASN 291.A O no hydrogen 2.708 N/A TYR 296.A N PHE 483.A O no hydrogen 3.376 N/A ASP 303.A N ASP 300.A O no hydrogen 3.391 N/A ASP 304.A N ASP 303.A OD1 no hydrogen 2.376 N/A TYR 308.A N ASP 304.A O no hydrogen 2.315 N/A GLN 309.A N ASP 305.A O no hydrogen 2.775 N/A LYS 313.A NZ ASP 315.A OD2 no hydrogen 3.132 N/A ASP 316.A N LYS 313.A O no hydrogen 3.112 N/A LEU 317.A N TYR 314.A O no hydrogen 3.177 N/A ILE 318.A N ASP 315.A O no hydrogen 2.926 N/A ILE 320.A N ASP 316.A O no hydrogen 3.138 N/A GLN 321.A N LEU 317.A O no hydrogen 2.298 N/A GLN 321.A NE2 GLN 321.A O no hydrogen 3.404 N/A LYS 322.A N ALA 319.A O no hydrogen 2.926 N/A VAL 326.A N GLN 323.A O no hydrogen 3.011 N/A ALA 327.A N ARG 456.A O no hydrogen 2.867 N/A SER 328.A N ARG 456.A O no hydrogen 3.019 N/A SER 328.A OG ALA 327.A O no hydrogen 2.533 N/A THR 330.A N THR 454.A O no hydrogen 2.544 N/A ALA 332.A N SER 452.A O no hydrogen 2.417 N/A VAL 333.A N GLY 352.A O no hydrogen 2.794 N/A GLN 335.A N ALA 350.A O no hydrogen 3.069 N/A LEU 337.A N ALA 348.A O no hydrogen 2.897 N/A LEU 339.A N VAL 346.A O no hydrogen 2.868 N/A TYR 341.A N ASP 345.A OD1 no hydrogen 2.720 N/A TYR 341.A OH GLU 403.A OE2 no hydrogen 2.410 N/A VAL 346.A N LEU 339.A O no hydrogen 2.920 N/A ALA 348.A N LEU 337.A O no hydrogen 2.861 N/A SER 349.A N LEU 431.A O no hydrogen 3.264 N/A SER 349.A OG LEU 431.A O no hydrogen 2.379 N/A ASN 351.A ND2 VAL 433.A O no hydrogen 2.806 N/A VAL 353.A N LEU 435.A O no hydrogen 2.869 N/A ASP 356.A N SER 354.A OG no hydrogen 3.139 N/A TYR 357.A N SER 354.A O no hydrogen 3.194 N/A VAL 360.A N ASP 356.A O no hydrogen 2.396 N/A TYR 361.A N TYR 357.A O no hydrogen 2.781 N/A GLU 367.A N VAL 417.A O no hydrogen 2.706 N/A GLU 374.A N GLU 374.A OE1 no hydrogen 2.536 N/A LEU 376.A N ASN 372.A O no hydrogen 2.634 N/A ASN 377.A N GLN 373.A O no hydrogen 2.867 N/A VAL 384.A N TRP 434.A O no hydrogen 2.731 N/A ASP 386.A N ARG 432.A O no hydrogen 3.041 N/A ARG 390.A N ASP 386.A O no hydrogen 3.171 N/A ARG 391.A N SER 387.A O no hydrogen 2.909 N/A GLN 392.A N ASN 388.A O no hydrogen 2.951 N/A GLN 392.A N THR 389.A O no hydrogen 3.186 N/A LEU 393.A N THR 389.A O no hydrogen 2.857 N/A PHE 394.A N ARG 390.A O no hydrogen 2.577 N/A LYS 397.A N PHE 394.A O no hydrogen 3.058 N/A LYS 397.A NZ PHE 394.A O no hydrogen 3.358 N/A VAL 401.A N ASP 399.A OD1 no hydrogen 3.205 N/A GLY 402.A N VAL 414.A O no hydrogen 3.191 N/A GLU 403.A N VAL 400.A O no hydrogen 3.190 N/A ILE 405.A N ALA 412.A O no hydrogen 2.854 N/A VAL 407.A N MET 410.A O no hydrogen 2.852 N/A ILE 415.A N VAL 383.A O no hydrogen 3.433 N/A VAL 417.A N GLU 367.A O no hydrogen 2.853 N/A MET 424.A N SER 423.A OG no hydrogen 2.453 N/A SER 427.A N MET 424.A O no hydrogen 3.033 N/A SER 427.A OG MET 424.A O no hydrogen 2.271 N/A SER 428.A N PHE 425.A O no hydrogen 3.166 N/A TRP 434.A N VAL 384.A O no hydrogen 2.588 N/A LEU 435.A N ASN 351.A O no hydrogen 2.887 N/A TYR 437.A N VAL 353.A O no hydrogen 2.972 N/A THR 439.A N PRO 436.A O no hydrogen 3.082 N/A MET 440.A N PRO 436.A O no hydrogen 3.210 N/A SER 441.A N TYR 437.A O no hydrogen 2.872 N/A SER 441.A OG TYR 437.A O no hydrogen 2.349 N/A VAL 444.A N THR 439.A O no hydrogen 3.275 N/A VAL 444.A N MET 440.A O no hydrogen 3.269 N/A MET 445.A N GLY 442.A O no hydrogen 3.273 N/A GLY 446.A N SER 441.A O no hydrogen 2.394 N/A ASN 451.A ND2 SER 334.A O no hydrogen 3.536 N/A SER 452.A N ALA 332.A O no hydrogen 2.778 N/A THR 454.A OG1 ASP 294.A OD1 no hydrogen 2.992 N/A ARG 456.A N SER 328.A O no hydrogen 2.600 N/A LYS 458.A N TRP 325.A O no hydrogen 2.601 N/A PHE 461.A N LYS 458.A O no hydrogen 3.110 N/A GLN 468.A N GLN 468.A OE1 no hydrogen 2.462 N/A LEU 470.A N ALA 466.A O no hydrogen 2.427 N/A THR 471.A N GLU 467.A O no hydrogen 2.898 N/A THR 471.A OG1 GLU 467.A O no hydrogen 2.471 N/A ARG 472.A N GLN 468.A O no hydrogen 2.873 N/A ARG 472.A NH1 GLN 469.A OE1 no hydrogen 3.115 N/A LEU 473.A N GLN 469.A O no hydrogen 2.859 N/A LEU 474.A N LEU 470.A O no hydrogen 2.886 N/A LEU 474.A N THR 471.A O no hydrogen 3.156 N/A SER 475.A N THR 471.A O no hydrogen 2.889 N/A SER 475.A OG THR 471.A O no hydrogen 2.712 N/A LEU 476.A N LEU 473.A O no hydrogen 3.212 N/A ARG 477.A N LEU 473.A O no hydrogen 2.882 N/A LYS 480.A N HIS 478.A ND1 no hydrogen 2.833 N/A ASN 487.A ND2 SER 463.A O no hydrogen 3.450 N/A ASN 487.A ND2 GLU 467.A OE1 no hydrogen 3.234 N/A LEU 492.A N MET 488.A O no hydrogen 2.898 N/A LYS 493.A N ASP 489.A O no hydrogen 2.852 N/A THR 494.A N GLY 490.A O no hydrogen 2.952 N/A VAL 495.A N VAL 491.A O no hydrogen 2.941 N/A GLU 496.A N LEU 492.A O no hydrogen 2.902 N/A LYS 497.A N LYS 493.A O no hydrogen 2.888 N/A THR 498.A N THR 494.A O no hydrogen 2.911 N/A THR 498.A OG1 THR 494.A O no hydrogen 2.655 N/A THR 499.A N VAL 495.A O no hydrogen 2.886 N/A THR 499.A OG1 VAL 495.A O no hydrogen 2.984 N/A ARG 500.A N GLU 496.A O no hydrogen 2.916 N/A THR 501.A N LYS 497.A O no hydrogen 2.896 N/A THR 501.A OG1 LYS 497.A O no hydrogen 2.201 N/A LEU 502.A N THR 498.A O no hydrogen 2.924 N/A GLN 503.A N THR 499.A O no hydrogen 2.917 N/A LEU 504.A N ARG 500.A O no hydrogen 2.864 N/A PHE 505.A N THR 501.A O no hydrogen 2.902 N/A LEU 506.A N LEU 502.A O no hydrogen 2.935 N/A THR 507.A N GLN 503.A O no hydrogen 2.902 N/A THR 507.A OG1 GLN 503.A O no hydrogen 2.331 N/A THR 507.A OG1 LEU 504.A O no hydrogen 3.456 N/A LEU 508.A N LEU 504.A O no hydrogen 2.912 N/A VAL 509.A N PHE 505.A O no hydrogen 2.942 N/A ALA 510.A N LEU 506.A O no hydrogen 2.960 N/A VAL 511.A N THR 507.A O no hydrogen 2.902 N/A ILE 512.A N LEU 508.A O no hydrogen 2.871 N/A SER 513.A N VAL 509.A O no hydrogen 2.963 N/A SER 513.A OG VAL 509.A O no hydrogen 3.234 N/A SER 513.A OG ALA 510.A O no hydrogen 2.287 N/A LEU 514.A N ALA 510.A O no hydrogen 2.929 N/A VAL 515.A N VAL 511.A O no hydrogen 2.880 N/A VAL 516.A N ILE 512.A O no hydrogen 2.914 N/A GLY 517.A N SER 513.A O no hydrogen 2.926 N/A GLY 518.A N LEU 514.A O no hydrogen 2.910 N/A ILE 519.A N VAL 516.A O no hydrogen 3.293 N/A VAL 521.A N GLY 518.A O no hydrogen 3.168 N/A MET 522.A N ILE 519.A O no hydrogen 2.973 N/A ILE 524.A N GLY 520.A O no hydrogen 2.920 N/A MET 525.A N VAL 521.A O no hydrogen 2.880 N/A LEU 526.A N MET 522.A O no hydrogen 2.894 N/A VAL 527.A N ASN 523.A O no hydrogen 2.919 N/A SER 528.A N ILE 524.A O no hydrogen 2.909 N/A SER 528.A OG MET 525.A O no hydrogen 2.470 N/A VAL 529.A N MET 525.A O no hydrogen 2.874 N/A THR 530.A N LEU 526.A O no hydrogen 2.919 N/A THR 530.A OG1 LEU 526.A O no hydrogen 2.395 N/A GLU 531.A N VAL 527.A O no hydrogen 2.903 N/A ARG 532.A N VAL 529.A O no hydrogen 2.789 N/A ARG 532.A NH2 GLU 556.A OE1 no hydrogen 3.249 N/A THR 533.A OG1 THR 530.A O no hydrogen 2.445 N/A ARG 534.A NH2 GLU 629.A O no hydrogen 3.003 N/A ILE 536.A N ARG 532.A O no hydrogen 2.376 N/A GLY 537.A N THR 533.A O no hydrogen 2.932 N/A ILE 538.A N ARG 534.A O no hydrogen 2.901 N/A ARG 539.A N GLU 535.A O no hydrogen 2.927 N/A MET 540.A N ILE 536.A O no hydrogen 2.906 N/A ALA 541.A N GLY 537.A O no hydrogen 2.875 N/A VAL 542.A N ILE 538.A O no hydrogen 3.148 N/A GLY 543.A N MET 540.A O no hydrogen 2.945 N/A ALA 544.A N ARG 539.A O no hydrogen 3.274 N/A ARG 545.A N ASP 548.A OD2 no hydrogen 2.798 N/A SER 547.A OG ASP 548.A OD1 no hydrogen 3.146 N/A ASP 548.A N ARG 545.A O no hydrogen 2.830 N/A GLN 551.A N SER 547.A O no hydrogen 2.899 N/A GLN 552.A N ASP 548.A O no hydrogen 2.917 N/A PHE 553.A N VAL 549.A O no hydrogen 2.915 N/A LEU 554.A N LEU 550.A O no hydrogen 2.955 N/A ILE 555.A N GLN 551.A O no hydrogen 2.882 N/A GLU 556.A N GLN 552.A O no hydrogen 2.930 N/A ALA 557.A N PHE 553.A O no hydrogen 2.918 N/A VAL 558.A N LEU 554.A O no hydrogen 2.898 N/A LEU 559.A N ILE 555.A O no hydrogen 2.886 N/A VAL 560.A N GLU 556.A O no hydrogen 2.940 N/A CYS 561.A N ALA 557.A O no hydrogen 2.929 N/A CYS 561.A SG ALA 557.A O no hydrogen 3.210 N/A LEU 562.A N VAL 558.A O no hydrogen 2.886 N/A LEU 562.A N LEU 559.A O no hydrogen 3.073 N/A VAL 563.A N LEU 559.A O no hydrogen 2.912 N/A GLY 564.A N VAL 560.A O no hydrogen 2.927 N/A ALA 566.A N LEU 562.A O no hydrogen 2.860 N/A ALA 566.A N VAL 563.A O no hydrogen 3.164 N/A LEU 567.A N VAL 563.A O no hydrogen 2.956 N/A GLY 568.A N GLY 564.A O no hydrogen 2.902 N/A ILE 569.A N GLY 565.A O no hydrogen 2.902 N/A THR 570.A N ALA 566.A O no hydrogen 2.929 N/A THR 570.A OG1 ALA 566.A O no hydrogen 2.432 N/A LEU 571.A N LEU 567.A O no hydrogen 2.915 N/A SER 572.A N GLY 568.A O no hydrogen 2.901 N/A SER 572.A OG ALA 265.A O no hydrogen 3.369 N/A LEU 573.A N ILE 569.A O no hydrogen 2.888 N/A LEU 574.A N THR 570.A O no hydrogen 2.933 N/A ILE 575.A N LEU 571.A O no hydrogen 2.898 N/A ALA 576.A N SER 572.A O no hydrogen 2.894 N/A PHE 577.A N LEU 573.A O no hydrogen 2.924 N/A THR 578.A N LEU 574.A O no hydrogen 2.922 N/A THR 578.A OG1 LEU 574.A O no hydrogen 2.353 N/A LEU 579.A N ILE 575.A O no hydrogen 2.884 N/A LEU 579.A N ALA 576.A O no hydrogen 3.054 N/A GLN 580.A N ALA 576.A O no hydrogen 2.911 N/A LEU 581.A N PHE 577.A O no hydrogen 2.923 N/A SER 591.A OG SER 591.A O no hydrogen 2.620 N/A ALA 594.A N SER 591.A O no hydrogen 2.724 N/A LEU 595.A N SER 591.A O no hydrogen 3.185 N/A LEU 596.A N PRO 592.A O no hydrogen 2.918 N/A LEU 597.A N LEU 593.A O no hydrogen 2.922 N/A ALA 598.A N ALA 594.A O no hydrogen 2.892 N/A PHE 599.A N LEU 595.A O no hydrogen 2.946 N/A LEU 600.A N LEU 596.A O no hydrogen 2.907 N/A CYS 601.A N LEU 597.A O no hydrogen 2.874 N/A SER 602.A N ALA 598.A O no hydrogen 2.919 N/A SER 602.A OG ALA 598.A O no hydrogen 3.492 N/A SER 602.A OG PHE 599.A O no hydrogen 2.319 N/A THR 603.A N PHE 599.A O no hydrogen 2.938 N/A THR 603.A OG1 PHE 599.A O no hydrogen 2.919 N/A VAL 604.A N LEU 600.A O no hydrogen 2.864 N/A THR 605.A N CYS 601.A O no hydrogen 2.927 N/A THR 605.A OG1 CYS 601.A O no hydrogen 2.961 N/A THR 605.A OG1 SER 602.A O no hydrogen 2.668 N/A GLY 606.A N SER 602.A O no hydrogen 2.939 N/A ILE 607.A N THR 603.A O no hydrogen 2.904 N/A LEU 608.A N VAL 604.A O no hydrogen 2.897 N/A PHE 609.A N THR 605.A O no hydrogen 2.922 N/A PHE 609.A N GLY 606.A O no hydrogen 3.261 N/A GLY 610.A N GLY 606.A O no hydrogen 2.906 N/A TRP 611.A N ILE 607.A O no hydrogen 2.945 N/A ARG 615.A N TRP 611.A O no hydrogen 2.991 N/A ARG 615.A NH1 ARG 615.A O no hydrogen 3.288 N/A ASN 616.A N LEU 612.A O no hydrogen 2.892 N/A ALA 617.A N PRO 613.A O no hydrogen 2.916 N/A ALA 618.A N ALA 614.A O no hydrogen 2.888 N/A ARG 619.A N ARG 615.A O no hydrogen 2.925 N/A ARG 619.A NH1 ARG 619.A O no hydrogen 2.987 N/A LEU 620.A N ALA 617.A O no hydrogen 3.186 N/A ALA 625.A N ASP 621.A O no hydrogen 3.259 N/A LEU 626.A N VAL 623.A O no hydrogen 3.124 N/A ALA 627.A N VAL 623.A O no hydrogen 2.896 N/A