Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6hqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N MET 1.A O no hydrogen 2.254 N/A THR 2.A OG1 ASN 19.A OD1 no hydrogen 2.457 N/A THR 2.A OG1 HIS 181.A O no hydrogen 3.369 N/A ASP 17.A N ALA 184.A O no hydrogen 2.862 N/A ASN 19.A N VAL 182.A O no hydrogen 2.514 N/A TRP 28.A N PHE 25.A O no hydrogen 3.070 N/A ASP 35.A N GLY 32.A O no hydrogen 3.425 N/A THR 37.A N ASP 35.A OD1 no hydrogen 2.968 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.939 N/A THR 45.A N GLN 714.A O no hydrogen 2.755 N/A THR 45.A OG1 GLN 714.A O no hydrogen 3.525 N/A THR 45.A OG1 ARG 716.A O no hydrogen 3.294 N/A TRP 47.A N THR 44.A O no hydrogen 3.198 N/A TRP 47.A NE1 LEU 38.A O no hydrogen 2.713 N/A ILE 48.A N THR 45.A O no hydrogen 2.898 N/A ASN 50.A N THR 46.A O no hydrogen 2.895 N/A LEU 51.A N TRP 47.A O no hydrogen 3.207 N/A LEU 51.A N ILE 48.A O no hydrogen 2.931 N/A HIS 52.A N TRP 49.A O no hydrogen 2.926 N/A HIS 52.A ND1 ILE 48.A O no hydrogen 2.985 N/A ALA 53.A N TRP 49.A O no hydrogen 2.959 N/A ALA 55.A N HIS 52.A O no hydrogen 3.351 N/A SER 60.A OG ASP 57.A O no hydrogen 3.173 N/A GLN 61.A NE2 ASN 54.A O no hydrogen 3.614 N/A GLN 61.A NE2 ALA 55.A O no hydrogen 3.137 N/A THR 62.A N PHE 58.A O no hydrogen 3.160 N/A ASP 64.A N THR 62.A OG1 no hydrogen 3.383 N/A GLU 66.A N ASP 64.A OD1 no hydrogen 3.167 N/A VAL 68.A N ASP 64.A O no hydrogen 3.314 N/A SER 69.A N LEU 65.A O no hydrogen 2.937 N/A SER 69.A OG LEU 65.A O no hydrogen 3.166 N/A ARG 70.A N GLU 66.A O no hydrogen 3.478 N/A ARG 70.A NE PRO 185.A O no hydrogen 2.644 N/A ARG 70.A NH1 ASP 17.A OD2 no hydrogen 2.845 N/A ARG 70.A NH2 ASP 17.A OD2 no hydrogen 2.528 N/A LYS 71.A N ASP 67.A O no hydrogen 2.959 N/A LYS 71.A NZ GLN 61.A OE1 no hydrogen 2.958 N/A ILE 72.A N VAL 68.A O no hydrogen 2.898 N/A PHE 73.A N SER 69.A O no hydrogen 2.977 N/A SER 74.A OG GLY 176.A O no hydrogen 2.489 N/A SER 74.A OG HIS 179.A O no hydrogen 3.311 N/A ALA 75.A N LYS 71.A O no hydrogen 2.927 N/A HIS 76.A N ILE 72.A O no hydrogen 2.910 N/A PHE 77.A N PHE 73.A O no hydrogen 3.011 N/A GLY 78.A N SER 74.A O no hydrogen 2.895 N/A HIS 79.A N ALA 75.A O no hydrogen 2.919 N/A LEU 80.A N HIS 76.A O no hydrogen 2.908 N/A ALA 81.A N PHE 77.A O no hydrogen 2.947 N/A VAL 82.A N GLY 78.A O no hydrogen 2.939 N/A VAL 83.A N HIS 79.A O no hydrogen 2.903 N/A PHE 84.A N LEU 80.A O no hydrogen 2.905 N/A VAL 85.A N ALA 81.A O no hydrogen 2.961 N/A TRP 86.A N VAL 82.A O no hydrogen 2.970 N/A LEU 87.A N VAL 83.A O no hydrogen 2.911 N/A SER 88.A N PHE 84.A O no hydrogen 2.926 N/A SER 88.A OG PHE 84.A O no hydrogen 3.214 N/A SER 88.A OG VAL 85.A O no hydrogen 2.636 N/A GLY 89.A N VAL 85.A O no hydrogen 2.979 N/A MET 90.A N TRP 86.A O no hydrogen 3.243 N/A TYR 91.A N LEU 87.A O no hydrogen 3.005 N/A PHE 92.A N SER 88.A O no hydrogen 2.894 N/A HIS 93.A N GLY 89.A O no hydrogen 2.917 N/A GLY 94.A N MET 90.A O no hydrogen 2.900 N/A ALA 95.A N TYR 91.A O no hydrogen 2.912 N/A LYS 96.A N PHE 92.A O no hydrogen 2.937 N/A PHE 97.A N HIS 93.A O no hydrogen 2.936 N/A SER 98.A OG HIS 93.A O no hydrogen 3.559 N/A SER 98.A OG GLY 94.A O no hydrogen 2.344 N/A ASN 99.A N SER 113.A O no hydrogen 3.333 N/A TYR 100.A OH PHE 152.A O no hydrogen 2.456 N/A TRP 103.A N ASN 99.A O no hydrogen 2.751 N/A LEU 104.A N TYR 100.A O no hydrogen 2.899 N/A THR 108.A OG1 ASP 106.A OD1 no hydrogen 3.277 N/A HIS 109.A N ASP 106.A O no hydrogen 3.308 N/A LYS 111.A N VAL 130.A O no hydrogen 3.131 N/A SER 113.A OG ILE 137.A O no hydrogen 2.763 N/A VAL 117.A N ASN 127.A OD1 no hydrogen 2.884 N/A GLN 123.A N ILE 120.A O no hydrogen 2.686 N/A GLN 123.A NE2 TRP 118.A O no hydrogen 2.955 N/A ILE 125.A N GLY 122.A O no hydrogen 3.382 N/A LEU 126.A N GLN 123.A O no hydrogen 2.931 N/A ASN 127.A N GLY 124.A O no hydrogen 3.306 N/A ASN 127.A ND2 VAL 117.A O no hydrogen 3.031 N/A GLY 128.A N GLY 136.A O no hydrogen 2.997 N/A GLY 131.A N ASP 129.A OD1 no hydrogen 3.115 N/A GLY 136.A N GLY 128.A O no hydrogen 3.087 N/A ILE 137.A N GLN 115.A O no hydrogen 3.107 N/A ILE 139.A N PRO 112.A O no hydrogen 2.945 N/A THR 140.A OG1 SER 388.A OG no hydrogen 3.324 N/A TYR 145.A OH ASP 382.A OD2 no hydrogen 2.777 N/A TRP 147.A N LEU 143.A O no hydrogen 2.909 N/A ARG 148.A N PHE 144.A O no hydrogen 2.881 N/A ALA 149.A N TYR 145.A O no hydrogen 2.922 N/A SER 150.A OG LEU 146.A O no hydrogen 2.934 N/A GLY 151.A N ARG 148.A O no hydrogen 3.255 N/A PHE 152.A N TRP 147.A O no hydrogen 2.827 N/A THR 153.A N GLN 157.A OE1 no hydrogen 2.419 N/A THR 153.A OG1 GLN 157.A OE1 no hydrogen 3.396 N/A ASP 154.A N GLN 157.A OE1 no hydrogen 2.785 N/A SER 155.A N GLU 101.A OE2 no hydrogen 3.021 N/A SER 155.A OG ALA 95.A O no hydrogen 2.418 N/A TYR 156.A N ASP 154.A OD1 no hydrogen 3.435 N/A GLN 157.A N ASP 154.A O no hydrogen 3.270 N/A GLN 157.A NE2 THR 153.A OG1 no hydrogen 3.287 N/A TYR 159.A N SER 155.A O no hydrogen 2.921 N/A CYS 160.A N TYR 156.A O no hydrogen 2.901 N/A CYS 160.A SG TYR 156.A O no hydrogen 3.518 N/A THR 161.A N GLN 157.A O no hydrogen 2.908 N/A THR 161.A OG1 GLN 157.A O no hydrogen 2.501 N/A ALA 162.A N LEU 158.A O no hydrogen 2.920 N/A ILE 163.A N TYR 159.A O no hydrogen 2.942 N/A GLY 164.A N CYS 160.A O no hydrogen 2.898 N/A GLY 165.A N THR 161.A O no hydrogen 2.891 N/A LEU 166.A N ALA 162.A O no hydrogen 2.934 N/A VAL 167.A N ILE 163.A O no hydrogen 2.934 N/A MET 168.A N GLY 164.A O no hydrogen 2.905 N/A ALA 169.A N GLY 165.A O no hydrogen 2.883 N/A ALA 170.A N LEU 166.A O no hydrogen 2.935 N/A LEU 171.A N VAL 167.A O no hydrogen 2.912 N/A MET 172.A N MET 168.A O no hydrogen 2.890 N/A LEU 173.A N ALA 169.A O no hydrogen 2.931 N/A PHE 174.A N ALA 170.A O no hydrogen 2.894 N/A ALA 175.A N LEU 171.A O no hydrogen 2.873 N/A GLY 176.A N MET 172.A O no hydrogen 2.964 N/A TRP 177.A N LEU 173.A O no hydrogen 3.396 N/A TRP 177.A NE1 THR 23.A OG1 no hydrogen 3.133 N/A PHE 178.A N PHE 174.A O no hydrogen 2.910 N/A HIS 179.A N ALA 175.A O no hydrogen 2.918 N/A HIS 179.A ND1 ALA 175.A O no hydrogen 3.036 N/A TYR 180.A N TRP 177.A O no hydrogen 3.357 N/A TYR 180.A OH ASP 67.A OD1 no hydrogen 3.201 N/A HIS 181.A N TRP 177.A O no hydrogen 2.922 N/A HIS 181.A ND1 TRP 177.A O no hydrogen 2.884 N/A VAL 182.A N PHE 178.A O no hydrogen 3.239 N/A LYS 183.A N PHE 178.A O no hydrogen 3.248 N/A LYS 183.A NZ PRO 5.A O no hydrogen 3.341 N/A LYS 183.A NZ PRO 6.A O no hydrogen 3.129 N/A ALA 184.A N ASP 17.A O no hydrogen 3.369 N/A LYS 186.A N SER 15.A O no hydrogen 2.399 N/A LYS 186.A NZ ASP 17.A OD1 no hydrogen 3.322 N/A PHE 190.A N LEU 187.A O no hydrogen 3.158 N/A GLN 191.A N LEU 187.A O no hydrogen 3.352 N/A GLN 191.A NE2 THR 345.A O no hydrogen 3.472 N/A ASN 192.A N PHE 190.A O no hydrogen 2.405 N/A ASN 192.A ND2 GLU 188.A O no hydrogen 2.746 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.942 N/A MET 196.A N ASN 192.A O no hydrogen 2.604 N/A MET 197.A N VAL 193.A O no hydrogen 2.892 N/A ASN 198.A N GLU 194.A O no hydrogen 2.952 N/A ASN 198.A ND2 TYR 311.A O no hydrogen 2.798 N/A HIS 199.A N SER 195.A O no hydrogen 2.940 N/A HIS 199.A ND1 SER 195.A O no hydrogen 2.320 N/A HIS 200.A N MET 196.A O no hydrogen 2.859 N/A LEU 201.A N MET 197.A O no hydrogen 2.926 N/A ALA 202.A N ASN 198.A O no hydrogen 2.936 N/A GLY 203.A N HIS 199.A O no hydrogen 3.123 N/A LEU 205.A N HIS 200.A O no hydrogen 3.468 N/A GLY 208.A N LEU 204.A O no hydrogen 3.233 N/A SER 209.A OG LEU 205.A O no hydrogen 3.060 N/A SER 209.A OG GLY 206.A O no hydrogen 3.026 N/A SER 209.A OG HIS 297.A O no hydrogen 3.484 N/A LEU 210.A N GLY 206.A O no hydrogen 2.948 N/A GLY 211.A N LEU 207.A O no hydrogen 2.858 N/A TRP 212.A N GLY 208.A O no hydrogen 2.936 N/A ALA 213.A N SER 209.A O no hydrogen 2.870 N/A GLY 214.A N LEU 210.A O no hydrogen 2.943 N/A HIS 215.A N GLY 211.A O no hydrogen 2.882 N/A GLN 216.A N TRP 212.A O no hydrogen 2.893 N/A GLN 216.A NE2 THR 293.A OG1 no hydrogen 2.873 N/A ILE 217.A N ALA 213.A O no hydrogen 2.906 N/A HIS 218.A N GLY 214.A O no hydrogen 2.936 N/A HIS 218.A N HIS 215.A O no hydrogen 2.967 N/A SER 220.A OG ALA 149.A O no hydrogen 3.404 N/A MET 221.A N GLN 216.A O no hydrogen 2.662 N/A ASN 224.A N SER 220.A O no hydrogen 2.893 N/A ASN 224.A ND2 SER 220.A O no hydrogen 2.391 N/A LYS 225.A N MET 221.A O no hydrogen 2.926 N/A LEU 227.A N ILE 223.A O no hydrogen 2.911 N/A ASP 228.A N ASN 224.A O no hydrogen 2.906 N/A ALA 229.A N LEU 226.A O no hydrogen 3.215 N/A GLY 230.A N LEU 226.A O no hydrogen 3.438 N/A VAL 231.A N LEU 226.A O no hydrogen 3.335 N/A ASP 235.A N ALA 232.A O no hydrogen 3.126 N/A ILE 236.A N PRO 233.A O no hydrogen 3.260 N/A GLU 241.A N LEU 238.A O no hydrogen 3.251 N/A PHE 242.A N PRO 239.A O no hydrogen 3.291 N/A ILE 243.A N HIS 240.A O no hydrogen 3.229 N/A LEU 244.A N HIS 240.A O no hydrogen 2.921 N/A GLU 245.A N GLU 241.A O no hydrogen 3.282 N/A LYS 248.A N GLU 245.A O no hydrogen 3.048 N/A ALA 250.A N PRO 246.A O no hydrogen 2.892 N/A GLU 251.A N SER 247.A O no hydrogen 2.920 N/A ALA 257.A N PRO 254.A O no hydrogen 2.915 N/A GLN 258.A N SER 255.A O no hydrogen 3.302 N/A PHE 263.A N LEU 260.A O no hydrogen 3.261 N/A PHE 263.A N TYR 271.A OH no hydrogen 2.816 N/A THR 265.A N THR 261.A O no hydrogen 2.977 N/A THR 265.A OG1 THR 261.A O no hydrogen 3.198 N/A THR 265.A OG1 PRO 262.A O no hydrogen 3.192 N/A ASN 267.A N PRO 262.A O no hydrogen 2.664 N/A VAL 270.A N ASN 267.A O no hydrogen 3.398 N/A TYR 271.A N TRP 268.A O no hydrogen 2.905 N/A TYR 271.A OH GLY 259.A O no hydrogen 3.400 N/A SER 272.A OG GLY 269.A O no hydrogen 3.258 N/A LEU 275.A N TYR 271.A O no hydrogen 3.095 N/A THR 276.A OG1 SER 291.A OG no hydrogen 2.578 N/A THR 276.A OG1 ASP 292.A OD1 no hydrogen 2.426 N/A LYS 278.A N ASP 292.A OD1 no hydrogen 3.207 N/A GLY 279.A N ASP 292.A OD2 no hydrogen 2.975 N/A GLY 280.A N THR 504.A O no hydrogen 3.056 N/A ASN 282.A N GLY 287.A O no hydrogen 2.511 N/A VAL 284.A N ASN 282.A OD1 no hydrogen 3.110 N/A GLY 286.A N ASN 282.A O no hydrogen 2.669 N/A GLY 287.A N THR 285.A OG1 no hydrogen 3.333 N/A LEU 288.A N PRO 374.A O no hydrogen 2.652 N/A SER 291.A OG THR 276.A OG1 no hydrogen 2.578 N/A ASP 292.A N TRP 289.A O no hydrogen 3.205 N/A THR 293.A N TRP 289.A O no hydrogen 3.184 N/A THR 293.A OG1 LEU 290.A O no hydrogen 2.721 N/A ALA 294.A N LEU 290.A O no hydrogen 2.941 N/A HIS 296.A N ASP 292.A O no hydrogen 2.869 N/A HIS 297.A N THR 293.A O no hydrogen 2.864 N/A HIS 297.A ND1 GLN 216.A OE1 no hydrogen 2.790 N/A LEU 298.A N ALA 294.A O no hydrogen 2.937 N/A ALA 299.A N HIS 295.A O no hydrogen 2.941 N/A ILE 300.A N HIS 296.A O no hydrogen 2.894 N/A ALA 301.A N HIS 297.A O no hydrogen 2.842 N/A VAL 302.A N LEU 298.A O no hydrogen 2.985 N/A LEU 303.A N ALA 299.A O no hydrogen 2.927 N/A PHE 304.A N ILE 300.A O no hydrogen 2.879 N/A ILE 305.A N ALA 301.A O no hydrogen 2.927 N/A ILE 306.A N VAL 302.A O no hydrogen 2.959 N/A ALA 307.A N LEU 303.A O no hydrogen 2.889 N/A GLY 308.A N PHE 304.A O no hydrogen 2.936 N/A GLY 308.A N ILE 305.A O no hydrogen 3.244 N/A HIS 309.A N ILE 306.A O no hydrogen 3.246 N/A TYR 311.A N ASN 198.A OD1 no hydrogen 3.217 N/A ARG 312.A N HIS 319.A O no hydrogen 2.428 N/A ARG 312.A NE GLY 318.A O no hydrogen 3.068 N/A ARG 312.A NH2 GLY 318.A O no hydrogen 3.292 N/A ASN 314.A N THR 313.A OG1 no hydrogen 2.672 N/A ILE 317.A N TRP 315.A O no hydrogen 2.806 N/A HIS 319.A N MET 310.A O no hydrogen 2.711 N/A SER 320.A OG GLU 194.A OE2 no hydrogen 3.245 N/A MET 321.A N GLU 194.A OE2 no hydrogen 2.680 N/A LYS 322.A NZ GLU 326.A OE1 no hydrogen 3.446 N/A LYS 322.A NZ GLU 326.A OE2 no hydrogen 2.755 N/A ILE 324.A N SER 320.A O no hydrogen 3.220 N/A LEU 325.A N MET 321.A O no hydrogen 2.901 N/A GLU 326.A N LYS 322.A O no hydrogen 2.923 N/A ALA 327.A N GLU 323.A O no hydrogen 2.909 N/A HIS 328.A N ILE 324.A O no hydrogen 3.285 N/A HIS 328.A ND1 ILE 324.A O no hydrogen 2.595 N/A GLY 336.A N THR 333.A O no hydrogen 3.283 N/A HIS 337.A N HIS 328.A O no hydrogen 3.361 N/A LEU 340.A N HIS 337.A O no hydrogen 3.145 N/A TYR 341.A OH GLU 194.A OE1 no hydrogen 3.252 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.579 N/A ILE 343.A N GLY 339.A O no hydrogen 2.996 N/A LEU 344.A N LEU 340.A O no hydrogen 2.923 N/A THR 346.A OG1 GLU 342.A O no hydrogen 2.720 N/A THR 346.A OG1 ILE 343.A O no hydrogen 3.477 N/A SER 347.A N ILE 343.A O no hydrogen 3.143 N/A SER 347.A OG ASP 415.A OD2 no hydrogen 2.754 N/A TRP 348.A NE1 SER 69.A OG no hydrogen 2.919 N/A HIS 349.A ND1 HIS 407.A ND1 no hydrogen 3.261 N/A HIS 349.A NE2 ASP 59.A OD2 no hydrogen 2.589 N/A ALA 350.A N SER 347.A OG no hydrogen 3.087 N/A GLN 351.A N SER 347.A O no hydrogen 3.400 N/A GLN 351.A NE2 LEU 344.A O no hydrogen 2.690 N/A LEU 352.A N TRP 348.A O no hydrogen 2.886 N/A ALA 353.A N HIS 349.A O no hydrogen 2.892 N/A ILE 354.A N GLN 351.A O no hydrogen 3.133 N/A ASN 355.A N GLN 351.A O no hydrogen 2.932 N/A LEU 356.A N LEU 352.A O no hydrogen 2.878 N/A LEU 358.A N ILE 354.A O no hydrogen 2.969 N/A LEU 359.A N ASN 355.A O no hydrogen 2.862 N/A GLY 360.A N LEU 356.A O no hydrogen 2.911 N/A SER 361.A N ALA 357.A O no hydrogen 2.966 N/A SER 361.A OG ALA 357.A O no hydrogen 2.990 N/A LEU 362.A N LEU 358.A O no hydrogen 2.880 N/A THR 363.A N LEU 359.A O no hydrogen 2.890 N/A THR 363.A OG1 LEU 359.A O no hydrogen 2.515 N/A ILE 364.A N GLY 360.A O no hydrogen 2.988 N/A ILE 365.A N SER 361.A O no hydrogen 2.916 N/A VAL 366.A N LEU 362.A O no hydrogen 2.828 N/A ALA 367.A N THR 363.A O no hydrogen 2.990 N/A GLN 368.A N ILE 364.A O no hydrogen 2.949 N/A HIS 369.A N ILE 365.A O no hydrogen 2.874 N/A MET 370.A N VAL 366.A O no hydrogen 2.879 N/A TYR 371.A N ALA 367.A O no hydrogen 3.022 N/A MET 373.A N HIS 369.A O no hydrogen 3.114 N/A TYR 378.A N THR 285.A O no hydrogen 2.835 N/A GLN 379.A N TYR 376.A O no hydrogen 3.484 N/A TYR 383.A OH VAL 520.A O no hydrogen 2.667 N/A THR 385.A N ASP 382.A OD1 no hydrogen 2.600 N/A THR 385.A OG1 THR 140.A O no hydrogen 3.385 N/A GLN 386.A N ASP 382.A O no hydrogen 3.051 N/A LEU 387.A N TYR 383.A O no hydrogen 2.933 N/A SER 388.A N ALA 384.A O no hydrogen 2.878 N/A SER 388.A OG ALA 384.A O no hydrogen 2.650 N/A LEU 389.A N THR 385.A O no hydrogen 2.912 N/A PHE 390.A N GLN 386.A O no hydrogen 2.980 N/A THR 391.A N LEU 387.A O no hydrogen 2.909 N/A THR 391.A OG1 LEU 387.A O no hydrogen 2.542 N/A THR 391.A OG1 SER 388.A O no hydrogen 3.228 N/A HIS 392.A N SER 388.A O no hydrogen 2.885 N/A HIS 393.A N LEU 389.A O no hydrogen 2.963 N/A MET 394.A N PHE 390.A O no hydrogen 2.912 N/A TRP 395.A N THR 391.A O no hydrogen 2.914 N/A ILE 396.A N HIS 392.A O no hydrogen 2.985 N/A GLY 398.A N MET 394.A O no hydrogen 2.899 N/A PHE 399.A N TRP 395.A O no hydrogen 2.974 N/A LEU 400.A N ILE 396.A O no hydrogen 2.975 N/A ILE 401.A N GLY 397.A O no hydrogen 2.909 N/A GLY 403.A N PHE 399.A O no hydrogen 3.048 N/A ALA 404.A N ILE 401.A O no hydrogen 2.975 N/A ALA 406.A N VAL 402.A O no hydrogen 2.996 N/A HIS 407.A N GLY 403.A O no hydrogen 2.953 N/A HIS 407.A ND1 HIS 349.A ND1 no hydrogen 3.261 N/A GLY 408.A N ALA 404.A O no hydrogen 2.912 N/A ILE 410.A N ALA 406.A O no hydrogen 3.035 N/A PHE 411.A N HIS 407.A O no hydrogen 2.887 N/A MET 412.A N GLY 408.A O no hydrogen 2.918 N/A VAL 413.A N ALA 409.A O no hydrogen 2.956 N/A ARG 414.A N ILE 410.A O no hydrogen 2.905 N/A ARG 414.A NH1 ASP 57.A OD1 no hydrogen 2.473 N/A ARG 414.A NH1 ASP 59.A OD2 no hydrogen 2.460 N/A ARG 414.A NH2 ASP 57.A OD2 no hydrogen 2.412 N/A ASP 415.A N PHE 411.A O no hydrogen 2.768 N/A TYR 416.A N PHE 411.A O no hydrogen 2.937 N/A ALA 419.A N ASP 417.A OD1 no hydrogen 3.030 N/A LYS 420.A N ASP 417.A O no hydrogen 3.059 N/A ASN 421.A N PRO 418.A O no hydrogen 3.308 N/A ASN 421.A ND2 ASP 417.A O no hydrogen 3.419 N/A ASN 423.A N ASP 427.A OD2 no hydrogen 2.859 N/A ASN 424.A ND2 LYS 338.A O no hydrogen 3.335 N/A ASN 424.A ND2 ASN 421.A OD1 no hydrogen 2.879 N/A LEU 425.A N GLY 336.A O no hydrogen 3.126 N/A ASP 427.A N ASN 424.A OD1 no hydrogen 3.325 N/A ARG 428.A N ASN 424.A O no hydrogen 3.093 N/A ARG 428.A NE ASN 423.A OD1 no hydrogen 2.532 N/A ARG 428.A NH1 PHE 332.A O no hydrogen 3.193 N/A ARG 428.A NH2 ASN 423.A OD1 no hydrogen 2.948 N/A MET 429.A N LEU 425.A O no hydrogen 2.916 N/A LEU 430.A N LEU 426.A O no hydrogen 2.933 N/A ARG 431.A N ARG 428.A O no hydrogen 3.135 N/A ARG 431.A NH2 ASN 423.A OD1 no hydrogen 3.165 N/A HIS 432.A N HIS 432.A ND1 no hydrogen 2.951 N/A HIS 432.A ND1 ARG 428.A O no hydrogen 2.879 N/A ARG 433.A NE LEU 554.A O no hydrogen 3.091 N/A ILE 436.A N HIS 432.A O no hydrogen 3.366 N/A ILE 437.A N ARG 433.A O no hydrogen 2.983 N/A SER 438.A N ASP 434.A O no hydrogen 2.857 N/A SER 438.A OG ASP 434.A O no hydrogen 2.553 N/A SER 438.A OG ALA 435.A O no hydrogen 3.056 N/A HIS 439.A N ALA 435.A O no hydrogen 2.939 N/A HIS 439.A ND1 ALA 435.A O no hydrogen 2.324 N/A LEU 440.A N ILE 436.A O no hydrogen 2.924 N/A ASN 441.A N ILE 437.A O no hydrogen 2.866 N/A TRP 442.A N SER 438.A O no hydrogen 2.927 N/A VAL 443.A N HIS 439.A O no hydrogen 2.912 N/A CYS 444.A N LEU 440.A O no hydrogen 2.865 N/A CYS 444.A SG LEU 440.A O no hydrogen 3.086 N/A ILE 445.A N ASN 441.A O no hydrogen 2.970 N/A PHE 446.A N TRP 442.A O no hydrogen 2.914 N/A LEU 447.A N VAL 443.A O no hydrogen 2.894 N/A GLY 448.A N CYS 444.A O no hydrogen 2.888 N/A PHE 449.A N ILE 445.A O no hydrogen 2.971 N/A HIS 450.A N PHE 446.A O no hydrogen 2.890 N/A HIS 450.A ND1 PHE 446.A O no hydrogen 3.044 N/A SER 451.A OG LEU 447.A O no hydrogen 2.391 N/A PHE 452.A N GLY 448.A O no hydrogen 3.381 N/A ILE 456.A N PHE 452.A O no hydrogen 2.992 N/A HIS 457.A N GLY 453.A O no hydrogen 2.859 N/A ASN 458.A N LEU 454.A O no hydrogen 2.901 N/A ASN 458.A ND2 PHE 471.A O no hydrogen 2.938 N/A ASN 458.A ND2 ILE 640.A O no hydrogen 3.618 N/A ASP 459.A N TYR 455.A O no hydrogen 2.912 N/A THR 460.A N ILE 456.A O no hydrogen 2.928 N/A THR 460.A OG1 ILE 456.A O no hydrogen 2.934 N/A MET 461.A N HIS 457.A O no hydrogen 2.877 N/A ARG 462.A N ASN 458.A O no hydrogen 2.907 N/A ARG 462.A NH1 GLN 637.A O no hydrogen 3.153 N/A ALA 463.A N ASP 459.A O no hydrogen 2.896 N/A LEU 464.A N THR 460.A O no hydrogen 2.895 N/A ARG 466.A N MET 461.A O no hydrogen 2.972 N/A ARG 466.A NE ASP 469.A OD2 no hydrogen 2.927 N/A ARG 466.A NH2 ASP 469.A OD2 no hydrogen 2.979 N/A MET 470.A N PRO 467.A O no hydrogen 3.406 N/A PHE 471.A N ASN 458.A OD1 no hydrogen 3.356 N/A SER 472.A OG THR 474.A OG1 no hydrogen 3.351 N/A THR 474.A N SER 472.A OG no hydrogen 3.338 N/A THR 474.A OG1 SER 472.A OG no hydrogen 3.351 N/A ILE 476.A N MET 470.A O no hydrogen 2.905 N/A GLN 477.A NE2 ASP 473.A O no hydrogen 2.969 N/A LEU 478.A N THR 529.A OG1 no hydrogen 3.197 N/A GLN 479.A NE2 GLN 477.A OE1 no hydrogen 3.315 N/A GLN 484.A N PRO 480.A O no hydrogen 3.476 N/A GLN 484.A NE2 GLN 479.A OE1 no hydrogen 3.636 N/A GLN 484.A NE2 LEU 527.A O no hydrogen 2.322 N/A TRP 485.A N ILE 481.A O no hydrogen 2.905 N/A VAL 486.A N PHE 482.A O no hydrogen 2.960 N/A GLN 487.A N ALA 483.A O no hydrogen 2.892 N/A GLN 487.A NE2 ILE 525.A O no hydrogen 2.913 N/A HIS 488.A N GLN 484.A O no hydrogen 2.931 N/A LEU 489.A N TRP 485.A O no hydrogen 2.890 N/A HIS 490.A N VAL 486.A O no hydrogen 2.922 N/A THR 491.A N GLN 487.A O no hydrogen 2.927 N/A THR 491.A OG1 GLN 487.A O no hydrogen 2.795 N/A THR 491.A OG1 GLY 510.A O no hydrogen 3.150 N/A LEU 492.A N HIS 488.A O no hydrogen 3.090 N/A ALA 496.A N ALA 493.A O no hydrogen 3.212 N/A ALA 501.A N ALA 498.A O no hydrogen 3.210 N/A LEU 502.A N PHE 277.A O no hydrogen 3.433 N/A ALA 503.A N LYS 278.A O no hydrogen 2.743 N/A THR 504.A OG1 HIS 490.A O no hydrogen 2.935 N/A THR 504.A OG1 SER 506.A O no hydrogen 3.305 N/A SER 506.A OG ALA 372.A O no hydrogen 2.759 N/A ALA 508.A N SER 506.A OG no hydrogen 3.207 N/A ILE 514.A N MET 522.A O no hydrogen 3.407 N/A LYS 519.A N VAL 516.A O no hydrogen 3.199 N/A LYS 519.A NZ ILE 381.A O no hydrogen 2.614 N/A LYS 519.A NZ GLY 751.A O no hydrogen 3.357 N/A LYS 519.A NZ GLY 751.A OXT no hydrogen 3.388 N/A ALA 521.A N ILE 514.A O no hydrogen 2.839 N/A MET 522.A N ILE 514.A O no hydrogen 3.464 N/A ILE 525.A N ALA 508.A O no hydrogen 2.818 N/A GLY 528.A N ASP 531.A OD2 no hydrogen 3.140 N/A THR 529.A N ASP 473.A OD1 no hydrogen 2.997 N/A THR 529.A OG1 ASP 473.A OD1 no hydrogen 2.775 N/A ASP 531.A N GLY 528.A O no hydrogen 3.216 N/A PHE 532.A N GLY 528.A O no hydrogen 2.989 N/A MET 533.A N THR 529.A O no hydrogen 2.961 N/A HIS 535.A N ASP 531.A O no hydrogen 2.907 N/A HIS 535.A ND1 ASP 531.A O no hydrogen 2.380 N/A HIS 536.A N PHE 532.A O no hydrogen 2.994 N/A ILE 537.A N MET 533.A O no hydrogen 2.929 N/A HIS 538.A N VAL 534.A O no hydrogen 2.933 N/A HIS 538.A NE2 HIS 608.A ND1 no hydrogen 2.990 N/A ALA 539.A N HIS 535.A O no hydrogen 2.931 N/A PHE 540.A N HIS 536.A O no hydrogen 2.913 N/A THR 541.A N ILE 537.A O no hydrogen 2.976 N/A THR 541.A OG1 ILE 537.A O no hydrogen 3.345 N/A THR 541.A OG1 HIS 538.A O no hydrogen 2.815 N/A THR 541.A OG1 SER 601.A OG no hydrogen 2.423 N/A ILE 542.A N HIS 538.A O no hydrogen 2.954 N/A HIS 543.A N ALA 539.A O no hydrogen 2.892 N/A HIS 543.A ND1 ALA 539.A O no hydrogen 3.043 N/A VAL 544.A N PHE 540.A O no hydrogen 2.970 N/A THR 545.A N THR 541.A O no hydrogen 2.981 N/A THR 545.A OG1 THR 541.A O no hydrogen 2.949 N/A ALA 546.A N ILE 542.A O no hydrogen 2.887 N/A LEU 547.A N HIS 543.A O no hydrogen 2.880 N/A ILE 548.A N VAL 544.A O no hydrogen 2.954 N/A LEU 549.A N THR 545.A O no hydrogen 2.962 N/A LEU 550.A N ALA 546.A O no hydrogen 2.864 N/A LYS 551.A N LEU 547.A O no hydrogen 2.926 N/A LYS 551.A NZ HIS 590.A NE2 no hydrogen 3.062 N/A GLY 552.A N ILE 548.A O no hydrogen 2.961 N/A VAL 553.A N LEU 550.A O no hydrogen 2.978 N/A LEU 554.A N LEU 550.A O no hydrogen 2.896 N/A TYR 555.A OH ASP 434.A OD1 no hydrogen 2.243 N/A ALA 556.A N VAL 553.A O no hydrogen 3.464 N/A ARG 557.A NH1 MET 412.A O no hydrogen 2.782 N/A SER 559.A N VAL 562.A O no hydrogen 2.583 N/A SER 559.A OG VAL 562.A O no hydrogen 3.404 N/A ARG 560.A NH1 ASP 434.A OD2 no hydrogen 2.625 N/A VAL 562.A N SER 559.A OG no hydrogen 3.026 N/A LYS 565.A NZ TYR 555.A O no hydrogen 2.585 N/A ASN 567.A N ASP 564.A O no hydrogen 3.107 N/A LEU 568.A N LYS 565.A O no hydrogen 2.907 N/A ASP 575.A N THR 582.A OG1 no hydrogen 3.024 N/A ARG 579.A NH1 ASP 575.A OD2 no hydrogen 2.657 N/A ARG 579.A NH2 ASP 575.A OD2 no hydrogen 2.689 N/A GLY 581.A N GLY 578.A O no hydrogen 2.850 N/A THR 582.A N GLY 576.A O no hydrogen 3.396 N/A THR 582.A OG1 GLY 576.A O no hydrogen 2.306 N/A GLN 584.A N PRO 573.A O no hydrogen 3.184 N/A SER 586.A N ASP 589.A OD2 no hydrogen 3.261 N/A SER 586.A OG PHE 572.A O no hydrogen 2.982 N/A SER 586.A OG ASP 589.A OD2 no hydrogen 2.628 N/A ASP 589.A N SER 586.A OG no hydrogen 3.226 N/A HIS 590.A N SER 586.A O no hydrogen 3.131 N/A HIS 590.A ND1 SER 586.A O no hydrogen 2.530 N/A VAL 591.A N GLY 587.A O no hydrogen 2.928 N/A PHE 592.A N TRP 588.A O no hydrogen 2.902 N/A LEU 593.A N ASP 589.A O no hydrogen 2.912 N/A GLY 594.A N HIS 590.A O no hydrogen 2.844 N/A LEU 595.A N VAL 591.A O no hydrogen 2.935 N/A TRP 597.A N LEU 593.A O no hydrogen 3.458 N/A MET 598.A N GLY 594.A O no hydrogen 2.890 N/A TYR 599.A N LEU 595.A O no hydrogen 2.962 N/A ASN 600.A N PHE 596.A O no hydrogen 2.847 N/A SER 601.A N TRP 597.A O no hydrogen 2.875 N/A SER 601.A OG THR 541.A OG1 no hydrogen 2.423 N/A LEU 602.A N MET 598.A O no hydrogen 2.956 N/A SER 603.A N TYR 599.A O no hydrogen 2.842 N/A SER 603.A OG TYR 599.A O no hydrogen 2.284 N/A ILE 604.A N SER 601.A O no hydrogen 3.169 N/A VAL 605.A N SER 601.A O no hydrogen 2.978 N/A ILE 606.A N LEU 602.A O no hydrogen 2.895 N/A PHE 607.A N SER 603.A O no hydrogen 3.386 N/A HIS 608.A N ILE 604.A O no hydrogen 2.875 N/A HIS 608.A ND1 HIS 538.A NE2 no hydrogen 2.990 N/A PHE 609.A N VAL 605.A O no hydrogen 2.973 N/A SER 610.A N ILE 606.A O no hydrogen 2.873 N/A TRP 611.A N PHE 607.A O no hydrogen 2.918 N/A LYS 612.A N HIS 608.A O no hydrogen 2.918 N/A LYS 612.A NZ THR 526.A O no hydrogen 2.799 N/A LYS 612.A NZ ASP 531.A OD1 no hydrogen 3.436 N/A LYS 612.A NZ ASP 531.A OD2 no hydrogen 2.735 N/A LYS 612.A NZ ASP 616.A OD2 no hydrogen 2.542 N/A MET 613.A N PHE 609.A O no hydrogen 2.952 N/A GLN 614.A N SER 610.A O no hydrogen 3.474 N/A GLN 614.A NE2 GLN 653.A OE1 no hydrogen 3.424 N/A SER 615.A N TRP 611.A O no hydrogen 2.918 N/A SER 615.A OG ASP 616.A OD1 no hydrogen 2.944 N/A SER 615.A OG THR 631.A OG1 no hydrogen 3.096 N/A SER 615.A OG ASN 634.A OD1 no hydrogen 3.327 N/A ASP 616.A N LYS 612.A O no hydrogen 2.885 N/A VAL 617.A N MET 613.A O no hydrogen 3.237 N/A TRP 618.A N MET 613.A O no hydrogen 2.511 N/A THR 620.A OG1 GLY 518.A O no hydrogen 3.465 N/A VAL 621.A N GLY 518.A O no hydrogen 3.230 N/A SER 622.A N SER 626.A O no hydrogen 2.682 N/A SER 622.A OG SER 626.A O no hydrogen 3.497 N/A SER 622.A OG SER 626.A OG no hydrogen 3.128 N/A GLY 625.A N SER 622.A O no hydrogen 3.125 N/A SER 626.A N ASP 624.A OD1 no hydrogen 2.980 N/A SER 626.A OG SER 622.A OG no hydrogen 3.128 N/A SER 626.A OG ASP 624.A OD1 no hydrogen 3.136 N/A THR 628.A N THR 620.A O no hydrogen 3.029 N/A HIS 629.A ND1 TRP 618.A O no hydrogen 3.101 N/A THR 631.A N GLN 614.A O no hydrogen 3.305 N/A THR 631.A OG1 ASN 634.A OD1 no hydrogen 2.403 N/A LEU 632.A N HIS 629.A O no hydrogen 3.429 N/A PHE 635.A N SER 615.A OG no hydrogen 2.758 N/A GLN 637.A N ASN 634.A O no hydrogen 2.937 N/A SER 638.A OG ASN 634.A O no hydrogen 3.270 N/A ALA 639.A N PHE 635.A O no hydrogen 3.061 N/A ILE 642.A N ASP 459.A OD2 no hydrogen 2.354 N/A ASN 643.A N ASP 459.A OD1 no hydrogen 2.923 N/A GLY 644.A N THR 641.A OG1 no hydrogen 3.081 N/A TRP 645.A N THR 641.A O no hydrogen 3.329 N/A TRP 645.A NE1 ALA 639.A O no hydrogen 2.649 N/A LEU 646.A N ILE 642.A O no hydrogen 2.896 N/A ARG 647.A N ASN 643.A O no hydrogen 2.878 N/A ARG 647.A NE ASP 648.A OD1 no hydrogen 2.795 N/A ARG 647.A NH2 ASP 648.A OD2 no hydrogen 2.657 N/A ASP 648.A N GLY 644.A O no hydrogen 2.871 N/A LEU 650.A N TRP 645.A O no hydrogen 2.922 N/A TRP 651.A N LEU 646.A O no hydrogen 3.074 N/A ALA 652.A N ARG 647.A O no hydrogen 2.701 N/A GLN 653.A N PHE 649.A O no hydrogen 3.144 N/A ALA 654.A N LEU 650.A O no hydrogen 2.762 N/A VAL 657.A N ALA 654.A O no hydrogen 3.046 N/A ILE 658.A N ALA 654.A O no hydrogen 3.438 N/A ASN 659.A N ALA 655.A O no hydrogen 3.133 N/A SER 660.A N VAL 657.A O no hydrogen 3.387 N/A SER 660.A OG VAL 657.A O no hydrogen 2.437 N/A SER 660.A OG LEU 665.A O no hydrogen 3.249 N/A SER 663.A N SER 660.A O no hydrogen 3.336 N/A SER 663.A OG SER 660.A O no hydrogen 2.608 N/A LEU 665.A N SER 663.A OG no hydrogen 3.362 N/A SER 666.A OG SER 663.A O no hydrogen 3.162 N/A TYR 668.A N LEU 665.A O no hydrogen 3.033 N/A ILE 670.A N SER 666.A O no hydrogen 2.952 N/A MET 671.A N ALA 667.A O no hydrogen 2.892 N/A PHE 672.A N TYR 668.A O no hydrogen 2.845 N/A LEU 673.A N GLY 669.A O no hydrogen 3.005 N/A ALA 674.A N ILE 670.A O no hydrogen 2.860 N/A GLY 675.A N MET 671.A O no hydrogen 2.846 N/A HIS 676.A N PHE 672.A O no hydrogen 2.990 N/A HIS 676.A ND1 PHE 672.A O no hydrogen 3.099 N/A PHE 677.A N LEU 673.A O no hydrogen 2.891 N/A VAL 678.A N ALA 674.A O no hydrogen 2.942 N/A PHE 679.A N GLY 675.A O no hydrogen 2.922 N/A PHE 681.A N PHE 677.A O no hydrogen 2.905 N/A SER 682.A N VAL 678.A O no hydrogen 2.991 N/A SER 682.A N PHE 679.A O no hydrogen 3.204 N/A SER 682.A OG PHE 679.A O no hydrogen 2.407 N/A LEU 683.A N ALA 680.A O no hydrogen 3.073 N/A LEU 686.A N SER 682.A O no hydrogen 2.970 N/A PHE 687.A N LEU 683.A O no hydrogen 2.930 N/A SER 688.A OG MET 684.A O no hydrogen 2.488 N/A ARG 690.A NE LEU 718.A O no hydrogen 2.595 N/A ARG 690.A NH1 ALA 717.A O no hydrogen 2.636 N/A TYR 692.A N GLY 689.A O no hydrogen 3.374 N/A TRP 693.A NE1 SER 688.A OG no hydrogen 3.158 N/A GLN 694.A N ARG 690.A O no hydrogen 2.915 N/A GLN 694.A NE2 PRO 715.A O no hydrogen 3.458 N/A LEU 696.A N TYR 692.A O no hydrogen 2.983 N/A ILE 697.A N TRP 693.A O no hydrogen 2.873 N/A GLU 698.A N GLN 694.A O no hydrogen 2.921 N/A ILE 700.A N LEU 696.A O no hydrogen 3.022 N/A VAL 701.A N ILE 697.A O no hydrogen 2.788 N/A TRP 702.A N GLU 698.A O no hydrogen 2.938 N/A ALA 703.A N SER 699.A O no hydrogen 2.931 N/A HIS 704.A N ILE 700.A O no hydrogen 2.905 N/A ASN 705.A N VAL 701.A O no hydrogen 2.858 N/A LYS 706.A N TRP 702.A O no hydrogen 2.900 N/A ASN 708.A N ASN 705.A O no hydrogen 2.993 N/A VAL 709.A N HIS 704.A O no hydrogen 2.550 N/A GLN 714.A N LYS 43.A O no hydrogen 3.315 N/A ARG 716.A N THR 45.A OG1 no hydrogen 2.691 N/A ARG 716.A NH1 PRO 715.A O no hydrogen 3.531 N/A ALA 717.A N GLN 694.A OE1 no hydrogen 2.542 N/A GLN 722.A N SER 719.A OG no hydrogen 3.244 N/A GLY 723.A N SER 719.A O no hydrogen 2.621 N/A ARG 724.A N ILE 720.A O no hydrogen 2.976 N/A ARG 724.A NH2 PRO 573.A O no hydrogen 3.266 N/A ALA 725.A N ILE 721.A O no hydrogen 2.865 N/A VAL 726.A N GLN 722.A O no hydrogen 2.881 N/A GLY 727.A N GLY 723.A O no hydrogen 2.969 N/A VAL 728.A N ARG 724.A O no hydrogen 2.949 N/A ALA 729.A N ALA 725.A O no hydrogen 2.900 N/A HIS 730.A N VAL 726.A O no hydrogen 2.946 N/A TYR 731.A N GLY 727.A O no hydrogen 2.923 N/A LEU 732.A N VAL 728.A O no hydrogen 2.969 N/A LEU 733.A N ALA 729.A O no hydrogen 2.897 N/A GLY 734.A N HIS 730.A O no hydrogen 2.879 N/A GLY 735.A N TYR 731.A O no hydrogen 2.987 N/A ILE 736.A N LEU 732.A O no hydrogen 2.890 N/A VAL 737.A N LEU 733.A O no hydrogen 2.893 N/A THR 738.A N GLY 734.A O no hydrogen 2.919 N/A THR 738.A OG1 PHE 672.A O no hydrogen 3.436 N/A THR 738.A OG1 HIS 676.A ND1 no hydrogen 3.405 N/A THR 738.A OG1 GLY 734.A O no hydrogen 2.988 N/A THR 739.A N GLY 735.A O no hydrogen 2.941 N/A THR 739.A OG1 GLY 735.A O no hydrogen 3.301 N/A TRP 740.A N ILE 736.A O no hydrogen 2.826 N/A ALA 741.A N VAL 737.A O no hydrogen 2.931 N/A PHE 742.A N THR 738.A O no hydrogen 2.913 N/A PHE 743.A N THR 739.A O no hydrogen 2.825 N/A LEU 744.A N TRP 740.A O no hydrogen 2.939 N/A ALA 745.A N ALA 741.A O no hydrogen 2.928 N/A ARG 746.A N PHE 742.A O no hydrogen 2.899 N/A ARG 746.A NE GLN 614.A OE1 no hydrogen 3.182 N/A ARG 746.A NH1 ASN 656.A OD1 no hydrogen 2.924 N/A ARG 746.A NH2 GLN 614.A OE1 no hydrogen 3.209 N/A SER 747.A N PHE 743.A O no hydrogen 2.865 N/A SER 747.A OG PHE 743.A O no hydrogen 3.089 N/A SER 747.A OG LEU 744.A O no hydrogen 3.243 N/A LEU 748.A N LEU 744.A O no hydrogen 2.941 N/A SER 749.A N ARG 746.A O no hydrogen 3.358 N/A SER 749.A OG ALA 745.A O no hydrogen 2.834 N/A