Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3j9z_S1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 312.A OD1 no hydrogen 2.664 N/A ARG 2.A NH2 ASP 312.A OD1 no hydrogen 3.308 N/A ARG 2.A NH2 ASP 312.A OD2 no hydrogen 2.629 N/A ILE 6.A N THR 4.A OG1 no hydrogen 3.191 N/A ARG 8.A NH1 GLU 79.A OE2 no hydrogen 3.500 N/A ARG 8.A NH1 PRO 80.A O no hydrogen 2.814 N/A ARG 8.A NH2 GLU 79.A OE2 no hydrogen 2.700 N/A TYR 9.A N ILE 6.A O no hydrogen 2.924 N/A TYR 9.A OH ASP 380.A OD1 no hydrogen 2.615 N/A ARG 10.A N ARG 82.A O no hydrogen 3.012 N/A ARG 10.A NE ILE 282.A O no hydrogen 3.282 N/A ARG 10.A NE LEU 285.A O no hydrogen 3.152 N/A ARG 10.A NH1 ALA 7.A O no hydrogen 2.659 N/A ARG 10.A NH1 TYR 9.A O no hydrogen 2.790 N/A ARG 10.A NH2 ALA 7.A O no hydrogen 3.200 N/A ARG 10.A NH2 ILE 282.A O no hydrogen 3.441 N/A ASN 11.A ND2 ASP 106.A OD1 no hydrogen 2.751 N/A ASN 11.A ND2 GLY 379.A O no hydrogen 2.780 N/A ILE 12.A N ASN 84.A O no hydrogen 3.108 N/A ILE 14.A N ILE 86.A O no hydrogen 2.793 N/A SER 15.A N VAL 109.A O no hydrogen 3.147 N/A HIS 17.A ND1 ILE 18.A O no hydrogen 2.849 N/A LYS 22.A NZ THR 23.A OG1 no hydrogen 2.973 N/A LYS 22.A NZ ASP 87.A OD1 no hydrogen 2.699 N/A THR 23.A OG1 THR 61.A OG1 no hydrogen 2.967 N/A THR 25.A N GLY 21.A O no hydrogen 2.709 N/A THR 25.A OG1 GLY 21.A O no hydrogen 2.657 N/A THR 26.A N LYS 22.A O no hydrogen 3.049 N/A THR 26.A OG1 LYS 22.A O no hydrogen 3.436 N/A THR 26.A OG1 ASP 87.A OD2 no hydrogen 2.639 N/A GLU 27.A N THR 23.A O no hydrogen 2.903 N/A ARG 28.A N THR 24.A O no hydrogen 2.903 N/A ARG 28.A NE ASN 271.A OD1 no hydrogen 2.703 N/A ARG 28.A NH1 GLU 27.A OE1 no hydrogen 2.591 N/A ARG 28.A NH2 ASN 271.A OD1 no hydrogen 3.267 N/A ILE 29.A N THR 25.A O no hydrogen 2.876 N/A LEU 30.A N THR 26.A O no hydrogen 3.043 N/A PHE 31.A N GLU 27.A O no hydrogen 2.823 N/A TYR 32.A N ARG 28.A O no hydrogen 2.995 N/A TYR 32.A OH ALA 195.A O no hydrogen 2.656 N/A THR 33.A N ILE 29.A O no hydrogen 3.178 N/A THR 33.A OG1 ILE 29.A O no hydrogen 2.680 N/A THR 33.A OG1 LEU 30.A O no hydrogen 3.466 N/A GLY 34.A N LEU 30.A O no hydrogen 2.792 N/A VAL 35.A N THR 33.A O no hydrogen 2.824 N/A ASN 36.A N THR 33.A O no hydrogen 3.055 N/A HIS 37.A N THR 33.A O no hydrogen 2.776 N/A HIS 37.A ND1 PHE 70.A O no hydrogen 2.920 N/A LYS 38.A N THR 33.A O no hydrogen 2.967 N/A LYS 38.A NZ ILE 39.A O no hydrogen 3.366 N/A LYS 38.A NZ HIS 366.A NE2 no hydrogen 2.925 N/A HIS 43.A N GLU 41.A OE1 no hydrogen 2.981 N/A HIS 43.A ND1 VAL 42.A O no hydrogen 2.909 N/A THR 48.A OG1 ASP 44.A O no hydrogen 2.874 N/A TRP 51.A N GLU 55.A OE1 no hydrogen 2.798 N/A MET 52.A N ASN 368.A OD1 no hydrogen 2.780 N/A GLN 54.A NE2 ASP 470.A OD1 no hydrogen 2.678 N/A GLN 56.A NE2 ASP 50.A O no hydrogen 3.603 N/A GLU 57.A N GLU 53.A O no hydrogen 2.764 N/A ARG 58.A N GLN 54.A O no hydrogen 3.208 N/A ARG 58.A NH1 ASP 466.A OD1 no hydrogen 2.721 N/A ARG 58.A NH2 ASP 466.A OD1 no hydrogen 3.296 N/A GLY 59.A N GLU 55.A O no hydrogen 3.192 N/A THR 61.A OG1 THR 23.A OG1 no hydrogen 2.967 N/A ILE 62.A N GLU 55.A OE2 no hydrogen 3.039 N/A THR 63.A N GLU 55.A OE2 no hydrogen 3.420 N/A THR 63.A OG1 GLU 97.A OE2 no hydrogen 2.611 N/A ALA 65.A N ASP 87.A O no hydrogen 3.051 N/A THR 67.A N ILE 85.A O no hydrogen 3.057 N/A ALA 69.A N ILE 83.A O no hydrogen 2.964 N/A TRP 71.A N HIS 81.A O no hydrogen 2.913 N/A SER 72.A N LYS 76.A O no hydrogen 2.937 N/A SER 72.A OG TYR 78.A O no hydrogen 2.615 N/A SER 72.A OG GLU 79.A O no hydrogen 3.377 N/A MET 74.A N SER 72.A OG no hydrogen 3.218 N/A ALA 75.A N SER 72.A O no hydrogen 3.216 N/A LYS 76.A NZ TYR 78.A OH no hydrogen 3.413 N/A LYS 76.A NZ VAL 199.A O no hydrogen 3.245 N/A TYR 78.A N ALA 75.A O no hydrogen 2.930 N/A HIS 81.A N TRP 71.A O no hydrogen 2.898 N/A HIS 81.A ND1 GLU 79.A O no hydrogen 2.863 N/A ARG 82.A N ARG 8.A O no hydrogen 2.691 N/A ARG 82.A NE ASN 84.A OD1 no hydrogen 3.201 N/A ARG 82.A NH2 ASP 380.A OD1 no hydrogen 3.367 N/A ILE 83.A N ALA 69.A O no hydrogen 2.804 N/A ASN 84.A N ARG 10.A O no hydrogen 2.802 N/A ASN 84.A ND2 ASN 11.A OD1 no hydrogen 2.808 N/A ILE 86.A N ILE 12.A O no hydrogen 2.825 N/A ASP 87.A N ALA 65.A O no hydrogen 2.919 N/A THR 88.A N ILE 14.A O no hydrogen 3.351 N/A THR 88.A OG1 SER 101.A OG no hydrogen 3.047 N/A PHE 94.A N ALA 91.A O no hydrogen 2.840 N/A THR 95.A N VAL 92.A O no hydrogen 3.212 N/A THR 95.A OG1 VAL 92.A O no hydrogen 2.622 N/A GLU 97.A N PHE 94.A O no hydrogen 2.775 N/A GLU 99.A N THR 95.A O no hydrogen 3.102 N/A ARG 100.A N ILE 96.A O no hydrogen 3.062 N/A ARG 100.A NE GLU 97.A OE1 no hydrogen 3.098 N/A ARG 100.A NH2 GLU 97.A OE1 no hydrogen 2.659 N/A ARG 100.A NH2 ASP 441.A OD2 no hydrogen 2.697 N/A SER 101.A N GLU 97.A O no hydrogen 3.255 N/A SER 101.A OG THR 88.A OG1 no hydrogen 3.047 N/A SER 101.A OG GLU 97.A O no hydrogen 2.785 N/A MET 102.A N VAL 98.A O no hydrogen 2.851 N/A ARG 103.A NE GLU 99.A OE1 no hydrogen 2.688 N/A ARG 103.A NH2 GLU 99.A OE1 no hydrogen 3.079 N/A ARG 103.A NH2 GLU 99.A OE2 no hydrogen 2.694 N/A ARG 103.A NH2 MET 408.A O no hydrogen 2.666 N/A VAL 104.A N ARG 100.A O no hydrogen 3.387 N/A LEU 105.A N SER 101.A O no hydrogen 3.096 N/A ASP 106.A N ASN 11.A O no hydrogen 3.205 N/A GLY 107.A N ASN 11.A O no hydrogen 3.177 N/A ALA 108.A N PRO 135.A O no hydrogen 2.947 N/A VAL 109.A N GLY 13.A O no hydrogen 2.750 N/A MET 110.A N ILE 137.A O no hydrogen 2.860 N/A VAL 111.A N SER 15.A O no hydrogen 2.891 N/A TYR 112.A N PHE 139.A O no hydrogen 2.780 N/A CYS 113.A SG ASP 19.A O no hydrogen 4.029 N/A ALA 114.A N ASN 141.A O no hydrogen 2.822 N/A GLY 116.A N CYS 113.A O no hydrogen 2.797 N/A GLN 119.A NE2 ILE 18.A O no hydrogen 3.698 N/A SER 122.A N GLN 119.A O no hydrogen 2.931 N/A SER 122.A OG GLY 117.A O no hydrogen 2.782 N/A THR 124.A N PRO 120.A O no hydrogen 3.351 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.417 N/A THR 124.A OG1 GLN 121.A OE1 no hydrogen 2.729 N/A TRP 126.A N SER 122.A O no hydrogen 3.292 N/A ARG 127.A N GLU 123.A O no hydrogen 3.242 N/A GLN 128.A N THR 124.A O no hydrogen 3.220 N/A ALA 129.A N VAL 125.A O no hydrogen 3.177 N/A ASN 130.A N TRP 126.A O no hydrogen 3.285 N/A LYS 131.A N ARG 127.A O no hydrogen 3.451 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 2.912 N/A LYS 131.A NZ GLU 409.A OE2 no hydrogen 2.679 N/A TYR 132.A N GLN 128.A O no hydrogen 3.472 N/A LYS 133.A N ASN 130.A O no hydrogen 3.190 N/A VAL 134.A N ALA 129.A O no hydrogen 3.004 N/A ARG 136.A NH1 ASN 130.A OD1 no hydrogen 2.808 N/A ARG 136.A NH2 ASN 130.A OD1 no hydrogen 2.678 N/A ILE 137.A N ALA 108.A O no hydrogen 3.048 N/A ALA 138.A N LEU 262.A O no hydrogen 3.080 N/A VAL 140.A N THR 264.A O no hydrogen 2.779 N/A ASN 141.A N TYR 112.A O no hydrogen 2.752 N/A LYS 142.A N ASN 141.A OD1 no hydrogen 2.755 N/A LYS 142.A NZ ASP 19.A OD1 no hydrogen 2.758 N/A LYS 142.A NZ ASP 19.A OD2 no hydrogen 2.796 N/A MET 143.A N SER 267.A OG no hydrogen 2.773 N/A ASP 144.A N SER 267.A OG no hydrogen 3.145 N/A ARG 145.A NH1 ASP 19.A OD2 no hydrogen 3.265 N/A VAL 154.A N PHE 150.A O no hydrogen 3.286 N/A ASN 155.A N LEU 151.A O no hydrogen 3.091 N/A GLN 156.A N LYS 152.A O no hydrogen 2.764 N/A GLN 156.A NE2 LYS 152.A O no hydrogen 3.006 N/A ILE 157.A N VAL 153.A O no hydrogen 3.058 N/A LYS 158.A N VAL 154.A O no hydrogen 3.285 N/A THR 159.A N ASN 155.A O no hydrogen 2.924 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.826 N/A THR 159.A OG1 GLN 156.A O no hydrogen 3.066 N/A ARG 160.A N GLN 156.A O no hydrogen 2.838 N/A ARG 160.A NE GLN 156.A OE1 no hydrogen 3.166 N/A ARG 160.A NH2 GLN 156.A OE1 no hydrogen 2.804 N/A GLY 162.A N ILE 157.A O no hydrogen 2.970 N/A VAL 166.A N ILE 261.A O no hydrogen 2.998 N/A LEU 168.A N VAL 263.A O no hydrogen 2.889 N/A GLN 169.A NE2 CYS 265.A O no hydrogen 3.446 N/A LEU 170.A N VAL 182.A O no hydrogen 2.986 N/A ILE 172.A N GLY 180.A O no hydrogen 3.105 N/A HIS 177.A N ALA 174.A O no hydrogen 2.864 N/A VAL 181.A N ILE 190.A O no hydrogen 3.159 N/A VAL 182.A N LEU 170.A O no hydrogen 2.796 N/A ASP 183.A N LYS 188.A O no hydrogen 2.784 N/A LYS 186.A N ASP 183.A OD1 no hydrogen 2.864 N/A LYS 186.A NZ GLU 244.A OE2 no hydrogen 2.658 N/A MET 187.A N LEU 184.A O no hydrogen 3.129 N/A LYS 188.A NZ PHE 201.A O no hydrogen 3.147 N/A LYS 188.A NZ GLU 204.A OE1 no hydrogen 2.674 N/A LYS 188.A NZ GLU 204.A OE2 no hydrogen 2.900 N/A ALA 189.A N ASP 205.A O no hydrogen 2.744 N/A ILE 190.A N VAL 181.A O no hydrogen 2.835 N/A ASN 191.A ND2 GLU 204.A O no hydrogen 3.299 N/A TRP 192.A NE1 GLN 275.A OE1 no hydrogen 2.899 N/A ALA 195.A N ASP 194.A OD2 no hydrogen 2.717 N/A GLN 197.A NE2 ASN 191.A OD1 no hydrogen 2.845 N/A GLY 198.A N ALA 195.A O no hydrogen 3.069 N/A THR 200.A N GLN 197.A O no hydrogen 2.880 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.689 N/A ASP 205.A N ALA 189.A O no hydrogen 2.811 N/A ILE 206.A N ASP 205.A OD2 no hydrogen 2.867 N/A MET 210.A N PRO 207.A O no hydrogen 3.276 N/A LEU 213.A N MET 210.A O no hydrogen 2.925 N/A ALA 214.A N MET 210.A O no hydrogen 3.492 N/A ASN 215.A N VAL 211.A O no hydrogen 2.974 N/A TRP 217.A N LEU 213.A O no hydrogen 3.373 N/A HIS 218.A N ALA 214.A O no hydrogen 2.925 N/A GLN 219.A N ASN 215.A O no hydrogen 2.905 N/A ASN 220.A N GLU 216.A O no hydrogen 2.893 N/A LEU 221.A N TRP 217.A O no hydrogen 2.821 N/A ILE 222.A N HIS 218.A O no hydrogen 3.141 N/A GLU 223.A N GLN 219.A O no hydrogen 2.748 N/A SER 224.A N ASN 220.A O no hydrogen 3.042 N/A ALA 225.A N LEU 221.A O no hydrogen 3.179 N/A ALA 226.A N ILE 222.A O no hydrogen 2.891 N/A SER 229.A OG GLU 230.A OE1 no hydrogen 3.217 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.788 N/A MET 233.A N SER 229.A O no hydrogen 3.479 N/A GLU 234.A N GLU 230.A O no hydrogen 2.947 N/A LYS 235.A N GLU 231.A O no hydrogen 3.263 N/A LYS 235.A NZ GLU 240.A OE1 no hydrogen 2.726 N/A TYR 236.A N LEU 232.A O no hydrogen 3.259 N/A LEU 237.A N MET 233.A O no hydrogen 3.171 N/A GLY 238.A N GLU 234.A O no hydrogen 2.974 N/A GLU 240.A N LYS 235.A O no hydrogen 3.398 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.725 N/A GLU 246.A N THR 243.A OG1 no hydrogen 3.310 N/A ILE 247.A N THR 243.A O no hydrogen 2.986 N/A LYS 248.A N GLU 244.A O no hydrogen 2.957 N/A LYS 248.A NZ ASP 283.A OD1 no hydrogen 2.690 N/A LYS 248.A NZ ASP 283.A OD2 no hydrogen 3.349 N/A GLY 249.A N ALA 245.A O no hydrogen 3.013 N/A ALA 250.A N GLU 246.A O no hydrogen 2.893 N/A LEU 251.A N ILE 247.A O no hydrogen 3.019 N/A ARG 252.A N LYS 248.A O no hydrogen 2.858 N/A ARG 252.A NE ASP 283.A O no hydrogen 2.678 N/A ARG 252.A NH1 ASP 290.A OD2 no hydrogen 2.682 N/A ARG 252.A NH2 LEU 285.A O no hydrogen 2.784 N/A ARG 252.A NH2 ASP 290.A OD1 no hydrogen 2.670 N/A GLN 253.A N GLY 249.A O no hydrogen 3.213 N/A GLN 253.A NE2 GLY 249.A O no hydrogen 3.186 N/A ARG 254.A N ALA 250.A O no hydrogen 3.447 N/A ARG 254.A NH1 SER 224.A O no hydrogen 2.756 N/A ARG 254.A NH1 GLU 227.A OE2 no hydrogen 2.727 N/A ARG 254.A NH2 GLU 227.A OE2 no hydrogen 3.537 N/A VAL 255.A N LEU 251.A O no hydrogen 2.897 N/A LEU 256.A N ARG 252.A O no hydrogen 2.885 N/A ASN 257.A N GLN 253.A O no hydrogen 2.920 N/A ASN 257.A ND2 GLN 253.A O no hydrogen 2.772 N/A ASN 258.A N VAL 255.A O no hydrogen 3.271 N/A ASN 258.A ND2 LYS 133.A O no hydrogen 3.357 N/A ASN 258.A ND2 ASN 257.A O no hydrogen 2.937 N/A GLU 259.A N ARG 254.A O no hydrogen 2.765 N/A ILE 260.A N ARG 254.A O no hydrogen 3.251 N/A ILE 261.A N ASN 164.A O no hydrogen 3.210 N/A VAL 263.A N VAL 166.A O no hydrogen 2.811 N/A THR 264.A N ALA 138.A O no hydrogen 3.152 N/A THR 264.A OG1 ALA 138.A O no hydrogen 2.835 N/A CYS 265.A N GLN 169.A OE1 no hydrogen 2.717 N/A GLY 266.A N VAL 140.A O no hydrogen 2.766 N/A SER 267.A OG ASP 144.A OD1 no hydrogen 2.603 N/A ALA 268.A N ASN 141.A OD1 no hydrogen 2.907 N/A ASN 271.A N ALA 268.A O no hydrogen 2.909 N/A LYS 272.A N SER 267.A O no hydrogen 3.109 N/A LYS 272.A NZ LYS 270.A O no hydrogen 2.716 N/A MET 277.A N GLY 273.A O no hydrogen 2.784 N/A LEU 278.A N VAL 274.A O no hydrogen 2.961 N/A ASP 279.A N GLN 275.A O no hydrogen 3.220 N/A ALA 280.A N ALA 276.A O no hydrogen 3.373 N/A VAL 281.A N MET 277.A O no hydrogen 3.356 N/A VAL 281.A N LEU 278.A O no hydrogen 2.886 N/A ILE 282.A N LEU 278.A O no hydrogen 3.431 N/A TYR 284.A N ALA 280.A O no hydrogen 3.011 N/A LEU 285.A N VAL 281.A O no hydrogen 3.082 N/A SER 287.A N ASP 290.A OD1 no hydrogen 2.746 N/A SER 287.A OG ASP 290.A OD1 no hydrogen 2.583 N/A VAL 289.A N SER 287.A OG no hydrogen 3.237 N/A ASP 290.A N SER 287.A O no hydrogen 2.867 N/A ILE 297.A N ILE 404.A O no hydrogen 2.883 N/A ARG 308.A N ILE 294.A O no hydrogen 2.767 N/A ARG 308.A NE GLU 307.A O no hydrogen 3.021 N/A ARG 308.A NH1 SER 317.A OG no hydrogen 2.944 N/A ARG 308.A NH2 GLU 307.A O no hydrogen 3.151 N/A SER 311.A OG ASP 313.A OD1 no hydrogen 2.664 N/A ASP 313.A N HIS 309.A NE2 no hydrogen 2.954 N/A GLU 314.A N HIS 309.A NE2 no hydrogen 3.007 N/A SER 317.A N SER 339.A O no hydrogen 2.951 N/A SER 317.A OG PRO 315.A O no hydrogen 2.872 N/A ALA 318.A N LEU 396.A O no hydrogen 2.739 N/A LEU 319.A N ARG 336.A O no hydrogen 2.971 N/A ALA 320.A N ASP 394.A O no hydrogen 2.926 N/A PHE 321.A N PHE 334.A O no hydrogen 2.841 N/A LYS 322.A N PHE 334.A O no hydrogen 3.370 N/A LYS 322.A NZ THR 63.A OG1 no hydrogen 2.765 N/A LYS 322.A NZ SER 64.A O no hydrogen 3.001 N/A LYS 322.A NZ SER 64.A OG no hydrogen 2.770 N/A LYS 322.A NZ GLU 97.A OE1 no hydrogen 3.330 N/A ALA 324.A N LEU 332.A O no hydrogen 3.014 N/A THR 325.A OG1 GLU 440.A OE2 no hydrogen 2.711 N/A LEU 332.A N ALA 324.A O no hydrogen 2.945 N/A THR 333.A N ALA 384.A O no hydrogen 3.054 N/A PHE 334.A N LYS 322.A O no hydrogen 2.807 N/A PHE 335.A N ALA 382.A O no hydrogen 2.994 N/A ARG 336.A N LEU 319.A O no hydrogen 2.951 N/A ARG 336.A NH1 VAL 104.A O no hydrogen 2.717 N/A ARG 336.A NH1 ASP 106.A OD1 no hydrogen 2.656 N/A ARG 336.A NH2 ASP 106.A OD1 no hydrogen 2.844 N/A VAL 337.A N ASP 380.A O no hydrogen 3.052 N/A TYR 338.A N SER 317.A O no hydrogen 2.822 N/A SER 339.A N SER 317.A O no hydrogen 3.130 N/A VAL 342.A N VAL 376.A O no hydrogen 2.986 N/A ASN 343.A ND2 VAL 341.A O no hydrogen 3.142 N/A SER 344.A N LYS 374.A O no hydrogen 2.989 N/A GLY 345.A N PHE 359.A O no hydrogen 2.870 N/A ASP 346.A N ASN 343.A O no hydrogen 3.205 N/A THR 347.A N ASP 346.A OD2 no hydrogen 2.764 N/A VAL 348.A N GLU 357.A O no hydrogen 2.833 N/A LEU 349.A N CYS 397.A O no hydrogen 2.724 N/A ASN 350.A N ALA 355.A O no hydrogen 2.716 N/A ASN 350.A ND2 ASP 394.A OD2 no hydrogen 2.818 N/A SER 351.A N THR 395.A O no hydrogen 3.084 N/A SER 351.A OG PRO 402.A O no hydrogen 2.761 N/A LYS 353.A N ASN 350.A OD1 no hydrogen 3.144 N/A LYS 353.A NZ THR 391.A O no hydrogen 3.214 N/A LYS 353.A NZ ASP 394.A OD2 no hydrogen 2.705 N/A ALA 354.A N SER 351.A O no hydrogen 3.226 N/A ALA 355.A N ASN 350.A O no hydrogen 3.102 N/A ARG 356.A NH2 THR 347.A OG1 no hydrogen 2.833 N/A GLU 357.A N VAL 348.A O no hydrogen 2.789 N/A ARG 358.A NE GLY 345.A O no hydrogen 3.621 N/A PHE 359.A N ASP 346.A O no hydrogen 2.721 N/A ARG 361.A NE GLU 372.A OE2 no hydrogen 2.753 N/A ARG 361.A NH2 GLU 372.A OE1 no hydrogen 2.742 N/A ARG 361.A NH2 GLU 372.A OE2 no hydrogen 3.047 N/A VAL 363.A N ALA 383.A O no hydrogen 2.847 N/A GLN 364.A N GLU 371.A O no hydrogen 2.763 N/A HIS 366.A N LYS 369.A O no hydrogen 2.897 N/A ALA 367.A N ALA 66.A O no hydrogen 3.423 N/A LYS 369.A N HIS 366.A O no hydrogen 2.873 N/A ARG 370.A NH1 ASP 326.A OD1 no hydrogen 2.618 N/A ARG 370.A NH2 ASP 326.A OD1 no hydrogen 3.399 N/A ARG 370.A NH2 ASP 326.A OD2 no hydrogen 2.681 N/A GLU 371.A N GLN 364.A O no hydrogen 2.970 N/A GLU 372.A N GLU 371.A OE1 no hydrogen 3.340 N/A VAL 376.A N VAL 342.A O no hydrogen 2.812 N/A ARG 377.A NE ASP 380.A OD1 no hydrogen 3.273 N/A ARG 377.A NH2 ASP 380.A OD1 no hydrogen 2.671 N/A ALA 378.A N ASP 312.A OD1 no hydrogen 2.753 N/A GLY 379.A N VAL 337.A O no hydrogen 2.748 N/A ASP 380.A N ARG 377.A O no hydrogen 3.337 N/A ILE 381.A N ASP 380.A OD2 no hydrogen 3.249 N/A ALA 382.A N PHE 335.A O no hydrogen 3.350 N/A ALA 383.A N VAL 363.A O no hydrogen 3.073 N/A ALA 384.A N THR 333.A O no hydrogen 2.877 N/A ILE 385.A N ARG 361.A O no hydrogen 2.893 N/A GLY 386.A N ASN 331.A O no hydrogen 3.219 N/A LYS 388.A N GLU 357.A OE1 no hydrogen 2.821 N/A LYS 388.A N GLU 357.A OE2 no hydrogen 3.037 N/A ASP 389.A N GLU 357.A OE2 no hydrogen 2.691 N/A VAL 390.A N GLU 357.A OE2 no hydrogen 2.841 N/A THR 391.A N ASP 394.A OD1 no hydrogen 2.672 N/A THR 391.A N ASP 394.A OD2 no hydrogen 3.185 N/A THR 391.A OG1 LYS 439.A O no hydrogen 3.336 N/A GLY 393.A N ALA 320.A O no hydrogen 2.813 N/A THR 395.A OG1 ILE 403.A O no hydrogen 3.132 N/A LEU 396.A N ALA 318.A O no hydrogen 2.945 N/A CYS 397.A N LEU 349.A O no hydrogen 2.767 N/A CYS 397.A SG SER 351.A OG no hydrogen 3.415 N/A CYS 397.A SG PRO 402.A O no hydrogen 3.335 N/A ASP 398.A N PHE 316.A O no hydrogen 2.836 N/A ILE 403.A N ILE 297.A O no hydrogen 3.078 N/A ILE 404.A N ILE 297.A O no hydrogen 3.179 N/A GLU 406.A N GLU 406.A OE2 no hydrogen 2.746 N/A ARG 407.A NH2 GLU 99.A OE2 no hydrogen 2.707 N/A ARG 407.A NH2 GLU 409.A O no hydrogen 2.703 N/A VAL 414.A N GLY 459.A O no hydrogen 2.901 N/A ILE 415.A N GLY 459.A O no hydrogen 3.071 N/A ILE 417.A N ILE 457.A O no hydrogen 3.113 N/A ALA 418.A N GLY 483.A O no hydrogen 2.758 N/A VAL 419.A N THR 455.A O no hydrogen 2.942 N/A GLU 420.A N ASN 481.A O no hydrogen 3.022 N/A LYS 422.A NZ GLU 479.A OE1 no hydrogen 3.298 N/A LYS 422.A NZ GLU 479.A OE2 no hydrogen 2.718 N/A LYS 424.A N THR 423.A OG1 no hydrogen 2.876 N/A LYS 424.A NZ GLN 427.A OE1 no hydrogen 3.425 N/A MET 430.A N ASP 426.A O no hydrogen 2.871 N/A GLY 431.A N GLN 427.A O no hydrogen 2.827 N/A LEU 432.A N GLU 428.A O no hydrogen 2.935 N/A ALA 433.A N LYS 429.A O no hydrogen 3.143 N/A LEU 434.A N MET 430.A O no hydrogen 2.856 N/A GLY 435.A N GLY 431.A O no hydrogen 3.107 N/A ARG 436.A N LEU 432.A O no hydrogen 3.037 N/A ARG 436.A NE THR 325.A OG1 no hydrogen 3.391 N/A ARG 436.A NH2 THR 325.A OG1 no hydrogen 2.801 N/A ARG 436.A NH2 ASN 331.A OD1 no hydrogen 2.756 N/A LEU 437.A N ALA 433.A O no hydrogen 2.983 N/A ALA 438.A N LEU 434.A O no hydrogen 2.925 N/A LYS 439.A N GLY 435.A O no hydrogen 3.423 N/A GLU 440.A N ARG 436.A O no hydrogen 3.209 N/A ASP 441.A N LEU 437.A O no hydrogen 2.935 N/A SER 443.A N ASP 441.A OD1 no hydrogen 2.893 N/A SER 443.A OG ASP 441.A OD1 no hydrogen 2.634 N/A PHE 444.A N ASP 441.A OD1 no hydrogen 3.504 N/A ARG 445.A N ALA 458.A O no hydrogen 3.008 N/A ARG 445.A NH1 GLU 412.A OE1 no hydrogen 3.376 N/A ARG 445.A NH1 GLU 412.A OE2 no hydrogen 2.717 N/A ARG 445.A NH2 GLU 412.A OE1 no hydrogen 2.657 N/A ARG 445.A NH2 PRO 442.A O no hydrogen 3.037 N/A TRP 447.A N ILE 456.A O no hydrogen 2.817 N/A ASP 449.A N GLN 454.A O no hydrogen 2.848 N/A GLU 451.A N ASP 449.A OD2 no hydrogen 2.994 N/A SER 452.A N ASP 449.A OD1 no hydrogen 2.670 N/A ASN 453.A ND2 SER 452.A OG no hydrogen 3.071 N/A ILE 456.A N TRP 447.A O no hydrogen 2.830 N/A ILE 457.A N ILE 417.A O no hydrogen 3.036 N/A ALA 458.A N ARG 445.A O no hydrogen 2.917 N/A GLY 459.A N ILE 415.A O no hydrogen 3.018 N/A LEU 465.A N GLY 461.A O no hydrogen 3.265 N/A ASP 466.A N GLU 462.A O no hydrogen 2.798 N/A ILE 467.A N LEU 463.A O no hydrogen 3.364 N/A ILE 468.A N HIS 464.A O no hydrogen 3.246 N/A VAL 469.A N LEU 465.A O no hydrogen 2.946 N/A ASP 470.A N ASP 466.A O no hydrogen 3.076 N/A ARG 471.A N ILE 467.A O no hydrogen 2.874 N/A ARG 471.A NE GLU 475.A OE2 no hydrogen 2.999 N/A ARG 471.A NH1 GLU 440.A OE1 no hydrogen 2.628 N/A ARG 471.A NH2 GLU 440.A OE1 no hydrogen 3.230 N/A ARG 471.A NH2 GLU 440.A OE2 no hydrogen 2.722 N/A ARG 471.A NH2 GLU 475.A OE2 no hydrogen 2.669 N/A MET 472.A N ILE 468.A O no hydrogen 2.825 N/A LYS 473.A N VAL 469.A O no hydrogen 3.018 N/A LYS 473.A NZ ASP 470.A OD2 no hydrogen 3.528 N/A ARG 474.A N ASP 470.A O no hydrogen 2.836 N/A ARG 474.A NE ASP 470.A OD2 no hydrogen 2.648 N/A ARG 474.A NH1 GLU 53.A OE1 no hydrogen 2.689 N/A ARG 474.A NH1 GLU 57.A OE1 no hydrogen 2.654 N/A ARG 474.A NH1 GLU 57.A OE2 no hydrogen 3.350 N/A ARG 474.A NH2 GLU 57.A OE1 no hydrogen 2.976 N/A ARG 474.A NH2 GLU 57.A OE2 no hydrogen 2.673 N/A ARG 474.A NH2 ASP 470.A OD1 no hydrogen 2.708 N/A ARG 474.A NH2 ASP 470.A OD2 no hydrogen 2.926 N/A GLU 475.A N ARG 471.A O no hydrogen 2.849 N/A PHE 476.A N MET 472.A O no hydrogen 3.136 N/A ASN 477.A N MET 472.A O no hydrogen 2.938 N/A VAL 478.A N MET 472.A O no hydrogen 3.322 N/A ASN 481.A N GLU 420.A O no hydrogen 2.799 N/A GLY 483.A N ALA 418.A O no hydrogen 2.871 N/A GLN 486.A N GLN 454.A OE1 no hydrogen 2.752 N/A TYR 489.A N VAL 487.A O no hydrogen 2.808 N/A TYR 489.A OH SER 691.A OG no hydrogen 3.052 N/A ARG 490.A N LEU 612.A O no hydrogen 2.976 N/A ARG 490.A NE THR 492.A OG1 no hydrogen 2.997 N/A ARG 490.A NH2 THR 492.A OG1 no hydrogen 3.344 N/A ARG 490.A NH2 ASP 572.A OD1 no hydrogen 2.659 N/A GLU 491.A N PRO 569.A O no hydrogen 2.967 N/A THR 492.A N VAL 610.A O no hydrogen 3.032 N/A THR 492.A OG1 VAL 571.A O no hydrogen 2.685 N/A ARG 494.A N LYS 608.A O no hydrogen 2.828 N/A THR 498.A N MET 521.A O no hydrogen 3.027 N/A VAL 500.A N ILE 519.A O no hydrogen 2.874 N/A GLY 502.A N VAL 517.A O no hydrogen 2.742 N/A HIS 504.A N GLY 515.A O no hydrogen 2.924 N/A GLN 507.A NE2 GLN 513.A OE1 no hydrogen 2.788 N/A GLY 510.A N GLN 507.A O no hydrogen 3.197 N/A GLN 513.A NE2 GLN 507.A O no hydrogen 3.597 N/A GLN 513.A NE2 ARG 511.A O no hydrogen 3.005 N/A GLN 513.A NE2 GLY 512.A O no hydrogen 3.404 N/A VAL 517.A N GLY 502.A O no hydrogen 2.949 N/A VAL 518.A N PHE 579.A O no hydrogen 2.816 N/A ILE 519.A N VAL 500.A O no hydrogen 2.944 N/A ASP 520.A N ARG 576.A O no hydrogen 2.956 N/A MET 521.A N THR 498.A O no hydrogen 2.861 N/A TYR 522.A N GLY 574.A O no hydrogen 3.441 N/A GLU 525.A N ASN 529.A OD1 no hydrogen 3.392 N/A GLY 527.A N ASP 572.A OD1 no hydrogen 2.790 N/A SER 528.A N GLU 525.A O no hydrogen 2.982 N/A SER 528.A OG GLU 525.A O no hydrogen 3.255 N/A LYS 531.A NZ TYR 533.A O no hydrogen 2.790 N/A LYS 531.A NZ GLU 534.A OE1 no hydrogen 2.759 N/A LYS 531.A NZ GLU 534.A OE2 no hydrogen 3.041 N/A TYR 533.A OH ASP 553.A OD1 no hydrogen 2.722 N/A GLU 534.A N MET 573.A O no hydrogen 3.239 N/A ILE 536.A N ILE 575.A O no hydrogen 2.869 N/A ASN 537.A ND2 ASN 537.A O no hydrogen 2.783 N/A ASP 538.A N LEU 577.A O no hydrogen 3.136 N/A ILE 539.A N LEU 577.A O no hydrogen 3.095 N/A LYS 540.A N HIS 578.A O no hydrogen 3.477 N/A TYR 548.A N PRO 545.A O no hydrogen 3.263 N/A TYR 548.A OH SER 587.A O no hydrogen 2.591 N/A ALA 551.A N TYR 548.A O no hydrogen 2.912 N/A VAL 552.A N TYR 548.A O no hydrogen 3.329 N/A ASP 553.A N ILE 549.A O no hydrogen 3.318 N/A LYS 554.A N PRO 550.A O no hydrogen 3.057 N/A GLN 557.A N ASP 553.A O no hydrogen 2.933 N/A GLN 557.A NE2 ASP 553.A OD1 no hydrogen 2.960 N/A GLU 558.A N LYS 554.A O no hydrogen 2.997 N/A GLN 559.A N GLY 555.A O no hydrogen 3.182 N/A LEU 560.A N ILE 556.A O no hydrogen 3.056 N/A LYS 561.A N GLU 558.A O no hydrogen 3.255 N/A ALA 562.A N GLN 559.A O no hydrogen 3.174 N/A LEU 565.A N GLU 491.A OE2 no hydrogen 2.762 N/A ALA 566.A N GLU 491.A OE1 no hydrogen 2.695 N/A GLY 567.A N GLU 491.A OE1 no hydrogen 2.725 N/A TYR 568.A N GLU 491.A OE1 no hydrogen 2.903 N/A VAL 570.A N LEU 560.A O no hydrogen 2.921 N/A VAL 571.A N GLU 491.A O no hydrogen 3.411 N/A MET 573.A N GLY 532.A O no hydrogen 2.779 N/A GLY 574.A N TYR 522.A O no hydrogen 3.093 N/A ILE 575.A N GLU 534.A O no hydrogen 2.953 N/A ARG 576.A N ASP 520.A O no hydrogen 2.982 N/A ARG 576.A NE ASP 538.A OD2 no hydrogen 2.876 N/A ARG 576.A NH1 ASP 520.A OD1 no hydrogen 3.312 N/A ARG 576.A NH1 ASP 520.A OD2 no hydrogen 2.667 N/A LEU 577.A N ILE 536.A O no hydrogen 2.890 N/A HIS 578.A N VAL 518.A O no hydrogen 2.863 N/A SER 581.A N HIS 516.A O no hydrogen 3.203 N/A HIS 583.A N SER 587.A OG no hydrogen 2.961 N/A SER 587.A N HIS 583.A O no hydrogen 2.768 N/A SER 587.A OG TYR 514.A O no hydrogen 2.743 N/A PHE 592.A N SER 588.A O no hydrogen 3.092 N/A LYS 593.A N GLU 589.A O no hydrogen 3.167 N/A LYS 593.A NZ GLU 589.A OE2 no hydrogen 2.700 N/A LEU 594.A N LEU 590.A O no hydrogen 2.952 N/A ALA 595.A N ALA 591.A O no hydrogen 2.974 N/A ALA 596.A N PHE 592.A O no hydrogen 2.995 N/A SER 597.A N LYS 593.A O no hydrogen 3.351 N/A SER 597.A OG GLY 555.A O no hydrogen 3.494 N/A ILE 598.A N LEU 594.A O no hydrogen 3.266 N/A ALA 599.A N ALA 595.A O no hydrogen 3.212 N/A PHE 600.A N ALA 596.A O no hydrogen 3.217 N/A LYS 601.A N SER 597.A O no hydrogen 2.904 N/A GLU 602.A N ILE 598.A O no hydrogen 3.219 N/A GLY 603.A N ALA 599.A O no hydrogen 2.851 N/A PHE 604.A N PHE 600.A O no hydrogen 2.855 N/A LYS 605.A NZ GLU 602.A OE1 no hydrogen 2.710 N/A LYS 606.A N GLU 602.A O no hydrogen 2.865 N/A LYS 606.A NZ GLU 602.A OE2 no hydrogen 2.684 N/A ALA 607.A N GLY 603.A O no hydrogen 2.943 N/A VAL 610.A N THR 492.A O no hydrogen 2.834 N/A LEU 612.A N ARG 490.A O no hydrogen 2.826 N/A GLU 613.A N ASP 687.A O no hydrogen 2.863 N/A ILE 615.A N LYS 685.A O no hydrogen 2.738 N/A MET 616.A N VAL 657.A O no hydrogen 2.800 N/A LYS 617.A N GLU 682.A O no hydrogen 2.747 N/A LYS 617.A NZ GLU 619.A OE1 no hydrogen 2.698 N/A LYS 617.A NZ GLU 682.A OE2 no hydrogen 2.752 N/A VAL 618.A N ALA 655.A O no hydrogen 2.738 N/A GLU 619.A N THR 680.A O no hydrogen 2.889 N/A VAL 620.A N ILE 653.A O no hydrogen 2.852 N/A GLU 621.A N SER 678.A O no hydrogen 2.961 N/A THR 622.A N VAL 651.A O no hydrogen 3.008 N/A THR 622.A OG1 PRO 623.A O no hydrogen 3.279 N/A GLU 625.A N GLU 625.A OE1 no hydrogen 2.695 N/A THR 627.A N GLU 624.A O no hydrogen 3.088 N/A THR 627.A OG1 GLU 624.A O no hydrogen 2.910 N/A THR 627.A OG1 GLU 624.A OE2 no hydrogen 2.718 N/A VAL 630.A N ASN 626.A O no hydrogen 3.041 N/A ILE 631.A N THR 627.A O no hydrogen 3.175 N/A GLY 632.A N GLY 628.A O no hydrogen 3.080 N/A ASP 633.A N ASP 629.A O no hydrogen 2.951 N/A LEU 634.A N VAL 630.A O no hydrogen 3.097 N/A SER 635.A N ILE 631.A O no hydrogen 2.961 N/A SER 635.A OG ILE 631.A O no hydrogen 2.716 N/A ARG 636.A N GLY 632.A O no hydrogen 3.195 N/A ARG 637.A N ASP 633.A O no hydrogen 3.398 N/A ARG 637.A NE ASP 633.A OD1 no hydrogen 2.953 N/A ARG 637.A NH1 GLU 661.A O no hydrogen 3.278 N/A ARG 637.A NH2 ASP 633.A OD1 no hydrogen 2.645 N/A ARG 638.A N SER 635.A O no hydrogen 2.970 N/A GLY 639.A N LEU 634.A O no hydrogen 2.925 N/A MET 640.A N GLU 656.A O no hydrogen 3.115 N/A LYS 642.A N HIS 654.A O no hydrogen 2.909 N/A LYS 642.A NZ GLU 656.A OE1 no hydrogen 2.676 N/A GLY 643.A N HIS 654.A O no hydrogen 3.472 N/A GLU 645.A N LYS 652.A O no hydrogen 3.102 N/A GLU 647.A N GLY 650.A O no hydrogen 3.071 N/A GLY 650.A N GLU 647.A O no hydrogen 3.283 N/A VAL 651.A N THR 622.A O no hydrogen 2.788 N/A LYS 652.A N GLU 645.A O no hydrogen 2.776 N/A LYS 652.A NZ GLU 621.A OE1 no hydrogen 2.664 N/A LYS 652.A NZ GLU 647.A OE2 no hydrogen 2.684 N/A ILE 653.A N VAL 620.A O no hydrogen 2.863 N/A HIS 654.A N GLY 643.A O no hydrogen 2.893 N/A ALA 655.A N VAL 618.A O no hydrogen 2.835 N/A GLU 656.A N MET 640.A O no hydrogen 2.991 N/A VAL 657.A N MET 616.A O no hydrogen 3.109 N/A LEU 659.A N PRO 614.A O no hydrogen 2.769 N/A SER 660.A OG GLU 613.A OE2 no hydrogen 2.687 N/A GLU 661.A N PRO 658.A O no hydrogen 3.487 N/A MET 662.A N LEU 659.A O no hydrogen 3.059 N/A TYR 665.A N MET 662.A O no hydrogen 2.964 N/A THR 667.A OG1 GLU 462.A OE1 no hydrogen 2.650 N/A GLN 668.A N GLY 664.A O no hydrogen 3.099 N/A GLN 668.A NE2 ASP 633.A OD2 no hydrogen 2.795 N/A LEU 669.A N TYR 665.A O no hydrogen 2.803 N/A ARG 670.A N ALA 666.A O no hydrogen 3.006 N/A ARG 670.A NH1 ASP 93.A OD1 no hydrogen 2.632 N/A ARG 670.A NH2 ASP 93.A OD1 no hydrogen 3.416 N/A ARG 670.A NH2 ASP 93.A OD2 no hydrogen 2.650 N/A SER 671.A N THR 667.A O no hydrogen 3.201 N/A LEU 672.A N GLN 668.A O no hydrogen 3.124 N/A THR 673.A N LEU 669.A O no hydrogen 2.902 N/A THR 673.A OG1 LEU 669.A O no hydrogen 2.798 N/A GLY 675.A N ARG 670.A O no hydrogen 2.852 N/A ARG 676.A NE THR 673.A O no hydrogen 2.992 N/A ARG 676.A NH2 THR 673.A O no hydrogen 3.508 N/A SER 678.A N GLU 621.A O no hydrogen 3.096 N/A TYR 679.A OH VAL 414.A O no hydrogen 3.326 N/A THR 680.A N GLU 619.A O no hydrogen 2.871 N/A GLU 682.A N LYS 617.A O no hydrogen 2.908 N/A LEU 684.A N ILE 615.A O no hydrogen 3.066 N/A LYS 685.A N ILE 615.A O no hydrogen 3.246 N/A LYS 685.A NZ GLU 656.A OE2 no hydrogen 2.668 N/A TYR 686.A OH ALA 488.A O no hydrogen 2.901 N/A ASP 687.A N GLU 613.A O no hydrogen 2.859 N/A GLU 688.A N ASP 687.A OD1 no hydrogen 2.776 N/A SER 691.A OG TYR 489.A OH no hydrogen 3.052 N/A ALA 694.A N SER 691.A OG no hydrogen 3.053 N/A GLN 695.A NE2 LEU 565.A O no hydrogen 3.438 N/A VAL 697.A N VAL 693.A O no hydrogen 3.303 N/A GLU 699.A N ALA 696.A O no hydrogen 3.091 N/A ALA 700.A N ALA 696.A O no hydrogen 2.753 N/A