Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k46_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 ASP 91.A OD2 no hydrogen 3.434 N/A ARG 5.A NH2 GLU 338.A OE1 no hydrogen 3.299 N/A THR 9.A N THR 11.A O no hydrogen 3.061 N/A THR 9.A OG1 ILE 266.A O no hydrogen 3.403 N/A THR 11.A OG1 THR 9.A O no hydrogen 2.557 N/A ARG 12.A N THR 180.A O no hydrogen 3.360 N/A GLU 13.A N GLU 8.A OE1 no hydrogen 3.236 N/A ILE 14.A N LEU 178.A O no hydrogen 2.724 N/A LYS 16.A N VAL 176.A O no hydrogen 2.919 N/A TRP 21.A N ILE 47.A O no hydrogen 3.027 N/A TRP 21.A NE1 ASP 18.A O no hydrogen 2.945 N/A ALA 22.A N GLN 72.A O no hydrogen 2.718 N/A PHE 23.A N ARG 45.A O no hydrogen 2.685 N/A SER 24.A N TRP 70.A O no hydrogen 3.167 N/A ASP 26.A N ASN 68.A O no hydrogen 3.264 N/A ASN 29.A N ASP 26.A O no hydrogen 3.056 N/A CYS 30.A N ASP 26.A OD1 no hydrogen 2.890 N/A GLY 31.A N ASP 26.A OD1 no hydrogen 3.481 N/A GLY 31.A N ASP 26.A OD2 no hydrogen 2.839 N/A GLN 34.A N CYS 30.A O no hydrogen 2.945 N/A ARG 35.A N ILE 32.A O no hydrogen 3.259 N/A TRP 36.A N GLY 31.A O no hydrogen 2.986 N/A GLU 38.A N ARG 35.A O no hydrogen 3.184 N/A LEU 41.A N GLN 72.A OE1 no hydrogen 2.800 N/A ARG 45.A N PHE 23.A O no hydrogen 2.755 N/A ILE 47.A N TRP 21.A O no hydrogen 3.058 N/A ALA 48.A N GLN 56.A OE1 no hydrogen 2.857 N/A GLY 51.A N ILE 172.A O no hydrogen 2.791 N/A SER 52.A N ARG 304.A O no hydrogen 2.994 N/A SER 52.A OG HIS 173.A NE2 no hydrogen 2.888 N/A SER 52.A OG ARG 304.A O no hydrogen 3.388 N/A PHE 53.A N ALA 170.A O no hydrogen 2.967 N/A ASN 54.A ND2 ALA 170.A O no hydrogen 3.398 N/A GLN 56.A NE2 ALA 48.A O no hydrogen 3.005 N/A GLN 56.A NE2 SER 52.A O no hydrogen 2.905 N/A ASP 61.A N ASP 59.A OD2 no hydrogen 2.938 N/A ARG 63.A N ASP 59.A O no hydrogen 3.060 N/A ARG 63.A NE ASP 55.A OD1 no hydrogen 2.826 N/A ASN 64.A N ALA 60.A O no hydrogen 2.846 N/A TYR 65.A N ILE 62.A O no hydrogen 3.419 N/A TYR 65.A OH ASP 26.A O no hydrogen 3.084 N/A TYR 65.A OH ASN 68.A O no hydrogen 2.620 N/A VAL 69.A N VAL 136.A O no hydrogen 2.853 N/A TRP 70.A N SER 24.A O no hydrogen 2.996 N/A TRP 70.A NE1 ASP 26.A OD2 no hydrogen 3.179 N/A TYR 71.A N VAL 134.A O no hydrogen 2.745 N/A GLN 72.A N ALA 22.A O no hydrogen 2.949 N/A GLN 72.A NE2 TRP 36.A O no hydrogen 3.653 N/A GLN 72.A NE2 SER 39.A O no hydrogen 2.978 N/A GLN 72.A NE2 THR 133.A OG1 no hydrogen 2.832 N/A ARG 73.A N ILE 132.A O no hydrogen 3.039 N/A ARG 73.A NE LYS 16.A O no hydrogen 3.431 N/A ARG 73.A NH1 GLU 74.A O no hydrogen 2.858 N/A ARG 73.A NH2 LYS 16.A O no hydrogen 2.820 N/A ARG 73.A NH2 ASP 18.A OD2 no hydrogen 2.654 N/A VAL 75.A N VAL 130.A O no hydrogen 2.986 N/A ILE 77.A N LYS 128.A O no hydrogen 2.947 N/A TRP 81.A N PRO 78.A O no hydrogen 2.927 N/A VAL 87.A N TYR 179.A O no hydrogen 2.845 N/A LEU 88.A N ALA 118.A O no hydrogen 3.093 N/A ARG 89.A N MET 177.A O no hydrogen 2.800 N/A ARG 89.A NE ASP 91.A OD1 no hydrogen 2.981 N/A ARG 89.A NH1 LEU 4.A O no hydrogen 2.855 N/A ARG 89.A NH1 GLU 117.A OE1 no hydrogen 3.041 N/A ARG 89.A NH2 ASP 91.A OD1 no hydrogen 3.468 N/A PHE 90.A N PHE 116.A O no hydrogen 2.960 N/A ASP 91.A N SER 175.A O no hydrogen 2.899 N/A THR 94.A N GLY 171.A O no hydrogen 3.070 N/A THR 94.A OG1 GLY 112.A O no hydrogen 2.969 N/A THR 94.A OG1 HIS 173.A ND1 no hydrogen 2.418 N/A HIS 95.A NE2 ASN 168.A OD1 no hydrogen 2.749 N/A TYR 96.A N ASN 137.A O no hydrogen 3.015 N/A TYR 96.A OH GLU 108.A OE1 no hydrogen 2.626 N/A GLY 97.A N HIS 109.A O no hydrogen 3.265 N/A LYS 98.A N CYS 135.A O no hydrogen 2.911 N/A VAL 99.A N MET 107.A O no hydrogen 3.173 N/A TRP 100.A N THR 133.A O no hydrogen 2.794 N/A VAL 101.A N GLN 104.A O no hydrogen 3.099 N/A ASN 102.A N ARG 131.A O no hydrogen 2.989 N/A GLN 104.A N VAL 101.A O no hydrogen 3.136 N/A VAL 106.A N VAL 99.A O no hydrogen 3.037 N/A HIS 109.A N GLY 97.A O no hydrogen 3.061 N/A THR 114.A OG1 GLU 390.A OE1 no hydrogen 3.070 N/A PHE 116.A N PHE 90.A O no hydrogen 3.061 N/A ALA 118.A N LEU 88.A O no hydrogen 3.206 N/A VAL 120.A N ILE 86.A O no hydrogen 2.736 N/A THR 121.A N ASP 119.A OD2 no hydrogen 2.822 N/A THR 121.A OG1 ILE 86.A O no hydrogen 3.460 N/A THR 121.A OG1 ASP 119.A OD2 no hydrogen 2.322 N/A TYR 123.A N VAL 120.A O no hydrogen 2.917 N/A VAL 124.A N THR 121.A O no hydrogen 3.397 N/A LYS 128.A N ILE 125.A O no hydrogen 2.764 N/A SER 129.A OG VAL 75.A O no hydrogen 3.323 N/A VAL 130.A N VAL 75.A O no hydrogen 2.749 N/A ARG 131.A N ASN 102.A OD1 no hydrogen 3.294 N/A ARG 131.A NE TRP 37.A O no hydrogen 3.052 N/A ARG 131.A NH2 TRP 37.A O no hydrogen 3.202 N/A ILE 132.A N ARG 73.A O no hydrogen 2.821 N/A THR 133.A N TRP 100.A O no hydrogen 2.883 N/A VAL 134.A N TYR 71.A O no hydrogen 2.703 N/A CYS 135.A N LYS 98.A O no hydrogen 2.825 N/A CYS 135.A SG ASN 68.A OD1 no hydrogen 3.239 N/A VAL 136.A N VAL 69.A O no hydrogen 2.780 N/A ASN 137.A N TYR 96.A O no hydrogen 2.901 N/A LEU 140.A N GLN 160.A OE1 no hydrogen 3.004 N/A GLN 143.A N ASN 141.A OD1 no hydrogen 2.579 N/A THR 144.A N ASN 141.A O no hydrogen 3.193 N/A THR 144.A OG1 PRO 146.A O no hydrogen 3.504 N/A GLY 148.A N ASN 141.A O no hydrogen 3.259 N/A MET 149.A N SER 161.A O no hydrogen 2.692 N/A ILE 151.A N LYS 159.A O no hydrogen 2.624 N/A ASP 153.A N LYS 157.A O no hydrogen 3.424 N/A ASN 155.A N ASP 153.A OD2 no hydrogen 2.606 N/A GLY 156.A N ASP 153.A O no hydrogen 2.909 N/A LYS 157.A N ASP 153.A OD2 no hydrogen 3.189 N/A LYS 158.A NZ GLU 139.A OE2 no hydrogen 2.857 N/A GLN 160.A NE2 LEU 140.A O no hydrogen 3.052 N/A GLN 160.A NE2 SER 161.A O no hydrogen 3.190 N/A SER 161.A N MET 149.A O no hydrogen 2.829 N/A PHE 167.A N ALA 551.A O no hydrogen 3.293 N/A ASN 168.A N TYR 162.A OH no hydrogen 3.232 N/A ASN 168.A ND2 ASN 138.A O no hydrogen 3.170 N/A TYR 169.A N PHE 167.A O no hydrogen 2.973 N/A TYR 169.A OH ASP 55.A OD2 no hydrogen 2.734 N/A ARG 174.A NH1 TYR 113.A O no hydrogen 2.898 N/A ARG 174.A NH1 PRO 334.A O no hydrogen 3.565 N/A ARG 174.A NH2 GLU 299.A OE1 no hydrogen 2.771 N/A ARG 174.A NH2 GLU 299.A OE2 no hydrogen 3.186 N/A ARG 174.A NH2 PRO 334.A O no hydrogen 2.755 N/A MET 177.A N ARG 89.A O no hydrogen 2.878 N/A LEU 178.A N ILE 14.A O no hydrogen 3.311 N/A TYR 179.A N VAL 87.A O no hydrogen 2.757 N/A TYR 179.A OH GLU 117.A OE1 no hydrogen 2.801 N/A TYR 179.A OH GLU 117.A OE2 no hydrogen 3.251 N/A THR 180.A N ARG 12.A O no hydrogen 2.629 N/A THR 181.A N ARG 85.A O no hydrogen 3.472 N/A ASN 183.A N GLU 263.A OE2 no hydrogen 3.221 N/A ASN 183.A ND2 GLY 83.A O no hydrogen 3.166 N/A ASN 183.A ND2 GLU 263.A OE2 no hydrogen 3.561 N/A THR 190.A N TRP 206.A O no hydrogen 2.801 N/A VAL 191.A N ASN 397.A OD1 no hydrogen 3.012 N/A VAL 192.A N VAL 204.A O no hydrogen 2.929 N/A THR 193.A OG1 GLY 272.A O no hydrogen 3.537 N/A HIS 194.A N ALA 202.A O no hydrogen 3.154 N/A CYS 199.A SG GLN 197.A O no hydrogen 3.361 N/A SER 203.A N GLN 237.A O no hydrogen 3.000 N/A ASP 205.A N THR 235.A O no hydrogen 2.576 N/A TRP 206.A N THR 190.A O no hydrogen 3.132 N/A GLN 207.A NE2 THR 232.A O no hydrogen 3.367 N/A VAL 208.A N ASP 188.A O no hydrogen 3.311 N/A ASP 213.A N LYS 259.A O no hydrogen 2.961 N/A SER 215.A N THR 257.A O no hydrogen 3.179 N/A SER 215.A OG THR 257.A OG1 no hydrogen 2.457 N/A VAL 216.A N GLY 229.A O no hydrogen 2.570 N/A GLU 217.A N CYS 255.A O no hydrogen 3.040 N/A LEU 218.A N ALA 227.A O no hydrogen 2.996 N/A ARG 219.A N GLU 253.A O no hydrogen 2.799 N/A ASP 220.A N GLN 224.A O no hydrogen 2.651 N/A ALA 221.A N TYR 250.A OH no hydrogen 3.299 N/A GLN 223.A N ASP 220.A O no hydrogen 3.274 N/A VAL 226.A N LEU 218.A O no hydrogen 2.911 N/A GLY 229.A N VAL 216.A O no hydrogen 2.928 N/A THR 235.A N ASP 205.A OD2 no hydrogen 2.480 N/A THR 235.A OG1 ASP 205.A OD1 no hydrogen 2.773 N/A THR 235.A OG1 ASP 205.A OD2 no hydrogen 2.632 N/A THR 235.A OG1 GLY 231.A O no hydrogen 2.775 N/A VAL 239.A N HIS 201.A O no hydrogen 3.233 N/A TRP 244.A N ILE 273.A O no hydrogen 2.922 N/A TRP 244.A NE1 ASP 344.A O no hydrogen 2.865 N/A GLN 245.A NE2 TRP 244.A O no hydrogen 3.402 N/A GLU 248.A N GLN 245.A O no hydrogen 2.798 N/A GLY 249.A N GLN 245.A O no hydrogen 2.611 N/A TYR 250.A OH ASP 220.A OD2 no hydrogen 2.502 N/A TYR 252.A N VAL 271.A O no hydrogen 2.612 N/A GLU 253.A N ARG 219.A O no hydrogen 3.022 N/A LEU 254.A N LEU 269.A O no hydrogen 2.729 N/A CYS 255.A N GLU 217.A O no hydrogen 2.737 N/A VAL 256.A N TYR 267.A O no hydrogen 2.808 N/A THR 257.A N SER 215.A O no hydrogen 3.144 N/A THR 257.A OG1 SER 215.A O no hydrogen 3.211 N/A ALA 258.A N ASP 265.A O no hydrogen 2.772 N/A LYS 259.A N ASP 213.A O no hydrogen 2.479 N/A SER 260.A N GLU 263.A O no hydrogen 2.936 N/A SER 260.A OG THR 184.A OG1 no hydrogen 3.017 N/A ASP 265.A N ALA 258.A O no hydrogen 3.349 N/A TYR 267.A N VAL 256.A O no hydrogen 2.774 N/A TYR 267.A OH ARG 5.A O no hydrogen 2.429 N/A LEU 269.A N LEU 254.A O no hydrogen 2.786 N/A VAL 271.A N TYR 252.A O no hydrogen 2.562 N/A ARG 274.A N THR 193.A OG1 no hydrogen 3.015 N/A ARG 274.A NE PRO 399.A O no hydrogen 2.692 N/A ARG 274.A NH1 ARG 274.A O no hydrogen 2.743 N/A ARG 274.A NH2 PRO 399.A O no hydrogen 3.332 N/A ARG 274.A NH2 VAL 401.A O no hydrogen 2.807 N/A SER 275.A N ASN 286.A OD1 no hydrogen 2.849 N/A ALA 277.A N LEU 284.A O no hydrogen 3.064 N/A LYS 279.A N GLN 282.A O no hydrogen 2.998 N/A GLN 282.A N LYS 279.A O no hydrogen 3.050 N/A LEU 284.A N ALA 277.A O no hydrogen 2.791 N/A ILE 285.A N LYS 288.A O no hydrogen 2.910 N/A ASN 286.A N SER 275.A O no hydrogen 2.734 N/A ASN 286.A ND2 TRP 244.A O no hydrogen 3.049 N/A HIS 287.A NE2 VAL 195.A O no hydrogen 2.456 N/A LYS 288.A NZ ASP 198.A OD1 no hydrogen 3.382 N/A LYS 288.A NZ ASP 198.A OD2 no hydrogen 2.763 N/A LYS 288.A NZ ASN 286.A O no hydrogen 2.620 N/A PHE 290.A N PHE 283.A O no hydrogen 3.034 N/A TYR 291.A N GLY 590.A O no hydrogen 2.961 N/A TYR 291.A OH GLU 542.A OE1 no hydrogen 2.646 N/A PHE 292.A N VAL 540.A O no hydrogen 2.913 N/A THR 293.A N ASN 326.A OD1 no hydrogen 2.675 N/A THR 293.A OG1 GLY 324.A O no hydrogen 3.255 N/A GLY 294.A N GLU 542.A O no hydrogen 3.261 N/A GLY 296.A N VAL 544.A O no hydrogen 3.100 N/A ARG 297.A N ARG 329.A O no hydrogen 3.467 N/A HIS 298.A ND1 TYR 333.A OH no hydrogen 2.835 N/A GLU 299.A N TYR 333.A OH no hydrogen 2.828 N/A ALA 301.A N GLY 305.A O no hydrogen 3.220 N/A LYS 306.A N SER 52.A OG no hydrogen 2.781 N/A LYS 306.A NZ GLU 299.A O no hydrogen 2.932 N/A LYS 306.A NZ TYR 333.A OH no hydrogen 2.698 N/A GLY 307.A N ARG 304.A O no hydrogen 2.740 N/A PHE 308.A N HIS 173.A O no hydrogen 2.866 N/A LEU 312.A N ASP 309.A OD2 no hydrogen 3.211 N/A MET 313.A N ASP 309.A O no hydrogen 3.260 N/A VAL 314.A N ASN 310.A O no hydrogen 3.033 N/A HIS 315.A N VAL 311.A O no hydrogen 2.930 N/A ASP 316.A N LEU 312.A O no hydrogen 2.882 N/A HIS 317.A N MET 313.A O no hydrogen 3.131 N/A ALA 318.A N VAL 314.A O no hydrogen 3.142 N/A LEU 319.A N HIS 315.A O no hydrogen 2.924 N/A MET 320.A N ASP 316.A O no hydrogen 2.938 N/A ASP 321.A N HIS 317.A O no hydrogen 2.906 N/A TRP 322.A N ALA 318.A O no hydrogen 2.926 N/A ILE 323.A N LEU 319.A O no hydrogen 2.750 N/A ALA 325.A N MET 320.A O no hydrogen 3.011 N/A ASN 326.A N THR 293.A O no hydrogen 3.042 N/A ASN 326.A N THR 293.A OG1 no hydrogen 2.968 N/A ASN 326.A ND2 TYR 291.A O no hydrogen 2.784 N/A SER 327.A OG THR 293.A O no hydrogen 2.678 N/A SER 327.A OG ASN 326.A OD1 no hydrogen 3.215 N/A SER 327.A OG GLN 543.A OE1 no hydrogen 3.330 N/A TYR 328.A N VAL 349.A O no hydrogen 3.277 N/A ARG 329.A N PHE 295.A O no hydrogen 3.162 N/A ARG 329.A NH2 GLU 353.A OE2 no hydrogen 3.476 N/A THR 330.A N ILE 351.A O no hydrogen 3.120 N/A THR 330.A OG1 THR 330.A O no hydrogen 2.627 N/A THR 330.A OG1 TYR 333.A O no hydrogen 3.346 N/A THR 330.A OG1 ILE 351.A O no hydrogen 3.449 N/A THR 330.A OG1 ASP 352.A OD2 no hydrogen 3.493 N/A SER 331.A N TYR 335.A OH no hydrogen 3.259 N/A SER 331.A OG ARG 297.A O no hydrogen 2.931 N/A SER 331.A OG ARG 329.A O no hydrogen 3.118 N/A HIS 332.A N GLU 353.A OE2 no hydrogen 3.312 N/A TYR 333.A OH HIS 298.A ND1 no hydrogen 2.835 N/A ALA 336.A N GLU 299.A OE2 no hydrogen 3.000 N/A MET 339.A N ALA 336.A O no hydrogen 2.858 N/A ASP 341.A N GLU 337.A O no hydrogen 2.795 N/A TRP 342.A N GLU 338.A O no hydrogen 2.915 N/A ALA 343.A N MET 339.A O no hydrogen 3.080 N/A ASP 344.A N LEU 340.A O no hydrogen 2.916 N/A GLU 345.A N ASP 341.A O no hydrogen 3.131 N/A HIS 346.A N TRP 342.A O no hydrogen 2.991 N/A HIS 346.A N ALA 343.A O no hydrogen 3.281 N/A HIS 346.A ND1 TRP 342.A O no hydrogen 2.764 N/A ILE 348.A N ALA 343.A O no hydrogen 2.865 N/A VAL 350.A N SER 400.A O no hydrogen 2.798 N/A ILE 351.A N TYR 328.A O no hydrogen 3.075 N/A ASP 352.A N MET 403.A O no hydrogen 3.003 N/A GLU 353.A N ASP 352.A OD2 no hydrogen 3.183 N/A THR 354.A N SER 405.A O no hydrogen 3.117 N/A THR 354.A OG1 ILE 406.A O no hydrogen 2.642 N/A ALA 356.A N THR 354.A OG1 no hydrogen 3.084 N/A VAL 357.A N ALA 355.A O no hydrogen 3.035 N/A ASN 360.A ND2 GLU 409.A O no hydrogen 2.967 N/A SER 362.A N ASN 360.A OD1 no hydrogen 2.997 N/A SER 362.A OG SER 362.A O no hydrogen 2.670 N/A TYR 371.A OH ASP 411.A O no hydrogen 2.939 N/A SER 372.A N VAL 376.A O no hydrogen 2.931 N/A SER 372.A OG GLU 373.A OE1 no hydrogen 3.568 N/A SER 372.A OG GLU 374.A OE2 no hydrogen 3.222 N/A GLU 373.A N GLU 373.A OE1 no hydrogen 2.672 N/A GLU 374.A N SER 372.A OG no hydrogen 3.340 N/A ALA 375.A N SER 372.A O no hydrogen 2.694 N/A VAL 376.A N LEU 370.A O no hydrogen 3.091 N/A ASN 377.A N THR 380.A OG1 no hydrogen 3.166 N/A ASN 377.A ND2 GLN 143.A OE1 no hydrogen 2.853 N/A ASN 377.A ND2 GLU 373.A O no hydrogen 3.081 N/A THR 380.A N ASN 377.A OD1 no hydrogen 2.781 N/A THR 380.A OG1 TRP 142.A O no hydrogen 2.560 N/A THR 380.A OG1 GLN 143.A OE1 no hydrogen 3.083 N/A THR 380.A OG1 ASN 377.A OD1 no hydrogen 3.187 N/A GLN 381.A N ASN 377.A O no hydrogen 2.879 N/A GLN 381.A NE2 TYR 420.A O no hydrogen 2.917 N/A GLN 382.A N GLY 378.A O no hydrogen 2.947 N/A ALA 383.A N GLU 379.A O no hydrogen 2.780 N/A HIS 384.A N THR 380.A O no hydrogen 2.824 N/A HIS 384.A ND1 TYR 420.A OH no hydrogen 3.049 N/A HIS 384.A NE2 ILE 406.A O no hydrogen 2.914 N/A LEU 385.A N GLN 381.A O no hydrogen 2.902 N/A GLN 386.A N GLN 382.A O no hydrogen 2.975 N/A ALA 387.A N ALA 383.A O no hydrogen 2.981 N/A ILE 388.A N HIS 384.A O no hydrogen 2.840 N/A LYS 389.A N LEU 385.A O no hydrogen 2.844 N/A GLU 390.A N GLN 386.A O no hydrogen 3.054 N/A LEU 391.A N ALA 387.A O no hydrogen 3.262 N/A ILE 392.A N ILE 388.A O no hydrogen 3.156 N/A ALA 393.A N LYS 389.A O no hydrogen 2.805 N/A ARG 394.A N GLU 390.A O no hydrogen 3.202 N/A ARG 394.A N LEU 391.A O no hydrogen 3.108 N/A ARG 394.A NH1 TYR 335.A O no hydrogen 3.042 N/A ARG 394.A NH1 ASP 395.A OD1 no hydrogen 3.018 N/A ARG 394.A NH2 TYR 113.A O no hydrogen 3.266 N/A ARG 394.A NH2 TYR 335.A O no hydrogen 2.670 N/A ASP 395.A N LEU 391.A O no hydrogen 2.925 N/A ASP 395.A N ILE 392.A O no hydrogen 3.176 N/A LYS 396.A NZ ILE 189.A O no hydrogen 2.818 N/A LYS 396.A NZ THR 190.A OG1 no hydrogen 2.971 N/A ASN 397.A ND2 ILE 189.A O no hydrogen 3.373 N/A HIS 398.A N ASP 395.A O no hydrogen 3.365 N/A SER 400.A N ASP 344.A OD1 no hydrogen 2.988 N/A SER 400.A OG ASP 344.A OD1 no hydrogen 2.955 N/A VAL 401.A N HIS 398.A O no hydrogen 3.260 N/A VAL 402.A N VAL 350.A O no hydrogen 3.113 N/A TRP 404.A N PRO 436.A O no hydrogen 3.085 N/A TRP 404.A NE1 ASP 432.A OD1 no hydrogen 2.618 N/A SER 405.A N ASP 352.A O no hydrogen 2.733 N/A ILE 406.A N THR 438.A O no hydrogen 2.916 N/A ASN 408.A N ALA 356.A O no hydrogen 2.952 N/A GLU 409.A N VAL 440.A O no hydrogen 2.660 N/A ASP 411.A N PHE 359.A O no hydrogen 3.134 N/A THR 412.A OG1 ASP 450.A OD2 no hydrogen 2.566 N/A ARG 413.A N ASP 411.A OD1 no hydrogen 3.164 N/A ARG 418.A NH1 THR 451.A O no hydrogen 2.736 N/A ARG 418.A NH1 ASP 454.A OD1 no hydrogen 3.281 N/A ARG 418.A NH1 ASP 454.A OD2 no hydrogen 2.994 N/A ARG 418.A NH2 ASP 454.A OD1 no hydrogen 2.813 N/A TYR 420.A N ALA 417.A O no hydrogen 3.078 N/A TYR 420.A OH HIS 384.A ND1 no hydrogen 3.049 N/A PHE 421.A N ALA 417.A O no hydrogen 3.034 N/A ALA 422.A N ARG 418.A O no hydrogen 3.224 N/A ALA 425.A N PHE 421.A O no hydrogen 2.833 N/A GLU 426.A N ALA 422.A O no hydrogen 3.120 N/A ALA 427.A N PRO 423.A O no hydrogen 2.985 N/A THR 428.A N LEU 424.A O no hydrogen 3.093 N/A THR 428.A OG1 ALA 425.A O no hydrogen 3.468 N/A ARG 429.A N ALA 425.A O no hydrogen 3.238 N/A ARG 429.A NH1 ASP 457.A OD1 no hydrogen 3.186 N/A ARG 429.A NH1 ASP 457.A OD2 no hydrogen 3.126 N/A ARG 429.A NH2 LEU 455.A O no hydrogen 3.104 N/A ARG 429.A NH2 ASP 457.A OD1 no hydrogen 2.911 N/A LYS 430.A N GLU 426.A O no hydrogen 3.242 N/A LEU 431.A N ALA 427.A O no hydrogen 2.876 N/A ASP 432.A N THR 428.A O no hydrogen 3.006 N/A ASP 432.A N ARG 429.A O no hydrogen 3.244 N/A THR 434.A N ASP 432.A OD2 no hydrogen 3.157 N/A THR 434.A OG1 ASP 432.A OD1 no hydrogen 3.177 N/A THR 434.A OG1 ASP 432.A OD2 no hydrogen 2.511 N/A ARG 435.A NE VAL 401.A O no hydrogen 2.750 N/A ARG 435.A NH1 LYS 396.A O no hydrogen 2.705 N/A ARG 435.A NH1 ASP 432.A OD1 no hydrogen 3.006 N/A ARG 435.A NH2 LYS 396.A O no hydrogen 2.852 N/A ARG 435.A NH2 HIS 398.A O no hydrogen 2.704 N/A ILE 437.A N ASP 457.A OD2 no hydrogen 2.795 N/A THR 438.A N TRP 404.A O no hydrogen 2.838 N/A THR 438.A OG1 VAL 458.A O no hydrogen 2.796 N/A CYS 439.A SG ALA 407.A O no hydrogen 3.898 N/A VAL 440.A N ALA 407.A O no hydrogen 2.967 N/A ASN 441.A N CYS 460.A O no hydrogen 3.008 N/A ASN 441.A ND2 CYS 445.A O no hydrogen 2.918 N/A CYS 445.A SG ASP 411.A OD1 no hydrogen 3.635 N/A CYS 445.A SG THR 412.A OG1 no hydrogen 3.293 N/A ALA 447.A N GLU 484.A OE1 no hydrogen 2.766 N/A HIS 448.A N ASP 446.A OD2 no hydrogen 3.137 N/A THR 449.A N ASP 446.A O no hydrogen 2.851 N/A THR 449.A OG1 PHE 444.A O no hydrogen 3.270 N/A THR 449.A OG1 ASP 446.A O no hydrogen 3.461 N/A THR 449.A OG1 ASP 446.A OD2 no hydrogen 3.218 N/A ASP 450.A N ASP 446.A O no hydrogen 2.814 N/A THR 451.A OG1 THR 412.A O no hydrogen 2.797 N/A SER 453.A N ASP 450.A OD1 no hydrogen 3.063 N/A SER 453.A OG ASP 450.A OD1 no hydrogen 2.724 N/A LEU 455.A N ILE 452.A O no hydrogen 2.886 N/A PHE 456.A N SER 453.A O no hydrogen 3.119 N/A ASP 457.A N ILE 437.A O no hydrogen 2.952 N/A LEU 459.A N PRO 495.A O no hydrogen 2.842 N/A CYS 460.A SG THR 438.A OG1 no hydrogen 3.507 N/A LEU 461.A N ILE 497.A O no hydrogen 2.737 N/A ASN 462.A N ASN 441.A O no hydrogen 3.282 N/A ASN 462.A ND2 GLU 409.A OE1 no hydrogen 3.119 N/A ARG 463.A N GLU 500.A O no hydrogen 2.785 N/A ARG 463.A NE ARG 463.A O no hydrogen 3.446 N/A ARG 463.A NE TYR 529.A OH no hydrogen 3.411 N/A ARG 463.A NH2 TYR 529.A OH no hydrogen 3.021 N/A TYR 464.A OH ASP 504.A OD2 no hydrogen 2.455 N/A GLY 466.A N ARG 463.A O no hydrogen 3.161 N/A VAL 469.A N TYR 465.A O no hydrogen 3.490 N/A GLN 470.A N GLY 466.A O no hydrogen 3.073 N/A SER 471.A N TYR 468.A O no hydrogen 3.040 N/A ASP 473.A N GLN 470.A O no hydrogen 3.113 N/A THR 476.A N ASP 473.A OD1 no hydrogen 3.343 N/A THR 476.A OG1 ASP 473.A OD2 no hydrogen 2.807 N/A ALA 477.A N ASP 473.A O no hydrogen 2.946 N/A GLU 478.A N LEU 474.A O no hydrogen 2.876 N/A LYS 479.A NZ GLU 475.A O no hydrogen 2.805 N/A VAL 480.A N THR 476.A O no hydrogen 3.027 N/A LEU 481.A N ALA 477.A O no hydrogen 2.955 N/A GLU 482.A N GLU 478.A O no hydrogen 3.145 N/A LYS 483.A N LYS 479.A O no hydrogen 3.074 N/A GLU 484.A N VAL 480.A O no hydrogen 2.993 N/A LEU 485.A N LEU 481.A O no hydrogen 3.041 N/A LEU 486.A N GLU 482.A O no hydrogen 3.243 N/A ALA 487.A N LYS 483.A O no hydrogen 3.057 N/A TRP 488.A N GLU 484.A O no hydrogen 2.956 N/A GLN 489.A N LEU 485.A O no hydrogen 2.880 N/A GLU 490.A N LEU 486.A O no hydrogen 2.964 N/A LYS 491.A N ALA 487.A O no hydrogen 3.022 N/A LYS 491.A NZ ALA 447.A O no hydrogen 2.762 N/A LYS 491.A NZ ASP 450.A O no hydrogen 3.266 N/A LEU 492.A N TRP 488.A O no hydrogen 3.090 N/A HIS 493.A N GLN 489.A O no hydrogen 2.794 N/A GLN 494.A NE2 SER 453.A O no hydrogen 3.425 N/A ILE 496.A N ALA 538.A O no hydrogen 2.590 N/A ILE 497.A N LEU 459.A O no hydrogen 2.709 N/A ILE 498.A N GLY 541.A O no hydrogen 3.176 N/A THR 499.A N LEU 461.A O no hydrogen 2.964 N/A THR 499.A OG1 ASN 462.A OD1 no hydrogen 2.676 N/A TYR 501.A OH HIS 530.A NE2 no hydrogen 2.613 N/A THR 505.A N LYS 563.A O no hydrogen 2.807 N/A THR 505.A OG1 VAL 503.A O no hydrogen 2.947 N/A LEU 506.A N TRP 517.A O no hydrogen 3.462 N/A GLY 508.A N GLU 519.A OE2 no hydrogen 2.698 N/A LEU 509.A N LEU 506.A O no hydrogen 3.041 N/A SER 511.A N GLU 520.A OE2 no hydrogen 2.835 N/A SER 511.A OG ASP 515.A OD1 no hydrogen 2.906 N/A TYR 513.A N SER 511.A OG no hydrogen 2.999 N/A THR 514.A OG1 THR 514.A O no hydrogen 2.381 N/A SER 518.A N ASP 515.A O no hydrogen 3.287 N/A SER 518.A OG ASP 515.A O no hydrogen 2.776 N/A GLU 519.A N LEU 509.A O no hydrogen 3.004 N/A TYR 521.A N SER 518.A OG no hydrogen 3.141 N/A GLN 522.A N SER 518.A O no hydrogen 3.200 N/A GLN 522.A NE2 GLY 565.A O no hydrogen 3.279 N/A CYS 523.A N GLU 519.A O no hydrogen 3.300 N/A CYS 523.A SG GLU 519.A O no hydrogen 3.407 N/A ALA 524.A N GLU 520.A O no hydrogen 3.083 N/A TRP 525.A N TYR 521.A O no hydrogen 2.696 N/A LEU 526.A N GLN 522.A O no hydrogen 3.084 N/A ASP 527.A N CYS 523.A O no hydrogen 2.940 N/A MET 528.A N ALA 524.A O no hydrogen 2.980 N/A TYR 529.A N TRP 525.A O no hydrogen 3.231 N/A HIS 530.A N LEU 526.A O no hydrogen 2.989 N/A HIS 530.A NE2 TYR 501.A OH no hydrogen 2.613 N/A ARG 531.A N ASP 527.A O no hydrogen 3.154 N/A ARG 531.A NH1 ASP 527.A OD2 no hydrogen 3.270 N/A ARG 531.A NH2 GLU 478.A OE1 no hydrogen 3.085 N/A VAL 532.A N MET 528.A O no hydrogen 3.400 N/A PHE 533.A N TYR 529.A O no hydrogen 2.921 N/A ASP 534.A N HIS 530.A O no hydrogen 3.162 N/A ARG 535.A N VAL 532.A O no hydrogen 2.894 N/A ARG 535.A NE GLU 482.A OE2 no hydrogen 3.037 N/A ARG 535.A NH2 GLU 478.A OE2 no hydrogen 2.757 N/A ARG 535.A NH2 GLU 482.A OE1 no hydrogen 3.194 N/A VAL 536.A N PHE 533.A O no hydrogen 3.088 N/A SER 537.A OG GLN 489.A OE1 no hydrogen 2.935 N/A VAL 539.A N VAL 536.A O no hydrogen 3.218 N/A VAL 540.A N ILE 496.A O no hydrogen 2.757 N/A GLU 542.A N PHE 292.A O no hydrogen 2.931 N/A GLN 543.A N ILE 498.A O no hydrogen 2.800 N/A VAL 544.A N GLY 294.A O no hydrogen 2.851 N/A TRP 545.A N TYR 501.A O no hydrogen 2.892 N/A ASN 546.A ND2 ARG 297.A O no hydrogen 3.579 N/A ALA 548.A N ASN 546.A OD1 no hydrogen 3.385 N/A ASP 549.A N PHE 567.A O no hydrogen 3.008 N/A ALA 551.A N ASP 300.A OD2 no hydrogen 3.104 N/A SER 553.A N ASP 165.A O no hydrogen 3.070 N/A SER 553.A OG HIS 164.A O no hydrogen 3.353 N/A SER 553.A OG ASP 165.A O no hydrogen 3.117 N/A VAL 559.A N ASN 562.A OD1 no hydrogen 2.742 N/A ASN 562.A N VAL 559.A O no hydrogen 2.891 N/A LYS 564.A NZ TYR 464.A OH no hydrogen 2.817 N/A LYS 564.A NZ ASP 504.A OD1 no hydrogen 3.524 N/A LYS 564.A NZ ASP 504.A OD2 no hydrogen 2.945 N/A GLY 565.A N ASP 549.A OD1 no hydrogen 2.645 N/A ILE 566.A N ASN 546.A O no hydrogen 2.909 N/A PHE 567.A N PHE 547.A O no hydrogen 2.837 N/A THR 568.A N LYS 572.A O no hydrogen 2.660 N/A THR 568.A OG1 ASP 570.A OD2 no hydrogen 2.498 N/A THR 568.A OG1 LYS 572.A O no hydrogen 3.022 N/A ARG 569.A NE ASP 300.A OD1 no hydrogen 2.663 N/A ARG 569.A NH1 ASP 302.A OD1 no hydrogen 3.546 N/A ARG 569.A NH2 TYR 169.A OH no hydrogen 3.044 N/A ARG 569.A NH2 ASP 300.A OD1 no hydrogen 3.211 N/A ARG 569.A NH2 ASP 300.A OD2 no hydrogen 2.830 N/A ARG 571.A N THR 568.A O no hydrogen 2.893 N/A ARG 571.A NE ASP 316.A OD1 no hydrogen 2.988 N/A ARG 571.A NH1 ASP 300.A O no hydrogen 3.442 N/A ARG 571.A NH1 ARG 569.A O no hydrogen 2.839 N/A ARG 571.A NH2 ASP 300.A O no hydrogen 3.466 N/A ARG 571.A NH2 ASP 316.A OD2 no hydrogen 3.198 N/A LYS 572.A N THR 568.A OG1 no hydrogen 2.753 N/A LYS 574.A N ILE 566.A O no hydrogen 3.084 N/A LYS 574.A NZ THR 505.A O no hydrogen 2.765 N/A LYS 574.A NZ ASP 549.A OD1 no hydrogen 2.909 N/A LYS 574.A NZ ASP 549.A OD2 no hydrogen 3.326 N/A LYS 574.A NZ GLY 565.A O no hydrogen 2.827 N/A SER 575.A N GLU 519.A OE1 no hydrogen 3.130 N/A SER 575.A OG GLU 519.A OE1 no hydrogen 2.465 N/A ALA 577.A N LYS 574.A O no hydrogen 2.942 N/A PHE 578.A N SER 575.A O no hydrogen 3.123 N/A LEU 580.A N ALA 576.A O no hydrogen 2.994 N/A GLN 581.A N ALA 577.A O no hydrogen 2.923 N/A LYS 582.A N PHE 578.A O no hydrogen 3.056 N/A LYS 582.A N LEU 579.A O no hydrogen 3.230 N/A ARG 583.A N LEU 579.A O no hydrogen 3.141 N/A ARG 583.A NH1 GLU 542.A OE2 no hydrogen 2.784 N/A ARG 583.A NH2 ASP 534.A OD2 no hydrogen 2.916 N/A TRP 584.A N LEU 580.A O no hydrogen 2.846 N/A TRP 584.A NE1 GLU 542.A OE2 no hydrogen 2.791 N/A THR 585.A N GLN 581.A O no hydrogen 3.239 N/A THR 585.A OG1 GLN 581.A O no hydrogen 2.451 N/A GLY 586.A N LYS 582.A O no hydrogen 3.062 N/A GLU 591.A N ASN 588.A O no hydrogen 2.806 N/A LYS 592.A NZ PHE 533.A O no hydrogen 3.059 N/A LYS 592.A NZ VAL 536.A O no hydrogen 2.962 N/A LYS 592.A NZ VAL 539.A O no hydrogen 2.713 N/A