Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rgr_3.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ALA 1.A O no hydrogen 3.301 N/A ILE 5.A N VAL 16.A O no hydrogen 2.893 N/A VAL 7.A N VAL 14.A O no hydrogen 2.920 N/A PHE 8.A N TRP 73.A O no hydrogen 2.655 N/A VAL 9.A N GLN 12.A O no hydrogen 2.900 N/A ASP 10.A N ILE 75.A O no hydrogen 2.877 N/A GLY 11.A N ASN 74.A OD1 no hydrogen 2.889 N/A GLN 12.A N VAL 9.A O no hydrogen 2.927 N/A SER 13.A OG GLU 6.A OE2 no hydrogen 2.867 N/A VAL 14.A N VAL 7.A O no hydrogen 2.889 N/A VAL 16.A N ILE 5.A O no hydrogen 2.923 N/A THR 20.A N GLU 17.A O no hydrogen 3.229 N/A THR 20.A OG1 GLU 17.A O no hydrogen 2.842 N/A THR 21.A N GLN 24.A OE1 no hydrogen 2.993 N/A THR 21.A OG1 GLN 24.A OE1 no hydrogen 3.114 N/A VAL 22.A N MET 67.A O no hydrogen 2.931 N/A LEU 23.A N ALA 64.A O no hydrogen 2.994 N/A GLN 24.A N THR 21.A OG1 no hydrogen 3.382 N/A ALA 25.A N THR 21.A O no hydrogen 2.935 N/A CYS 26.A N VAL 22.A O no hydrogen 2.931 N/A CYS 26.A SG VAL 22.A O no hydrogen 3.238 N/A GLU 27.A N LEU 23.A O no hydrogen 2.917 N/A LYS 28.A N GLN 24.A O no hydrogen 2.897 N/A VAL 29.A N ALA 25.A O no hydrogen 2.982 N/A GLY 30.A N CYS 26.A O no hydrogen 2.900 N/A MET 31.A N CYS 26.A O no hydrogen 2.885 N/A ARG 35.A N GLN 115.A OE1 no hydrogen 2.880 N/A ARG 35.A NE ILE 33.A O no hydrogen 2.992 N/A ARG 35.A NH2 ILE 33.A O no hydrogen 2.781 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.632 N/A ARG 41.A N HIS 39.A ND1 no hydrogen 3.305 N/A ARG 41.A NE GLU 257.A OE1 no hydrogen 2.769 N/A ARG 41.A NH1 GLU 252.A OE1 no hydrogen 2.848 N/A ARG 41.A NH1 GLU 252.A OE2 no hydrogen 3.543 N/A ARG 41.A NH1 GLU 256.A OE1 no hydrogen 3.125 N/A ARG 41.A NH2 GLU 252.A OE2 no hydrogen 2.769 N/A LEU 42.A N HIS 39.A O no hydrogen 3.188 N/A SER 43.A N GLU 161.A OE1 no hydrogen 3.237 N/A SER 43.A OG GLU 161.A OE2 no hydrogen 2.600 N/A ARG 49.A NH1 GLY 46.A O no hydrogen 3.299 N/A VAL 53.A N VAL 62.A O no hydrogen 2.901 N/A GLU 54.A N SER 82.A OG no hydrogen 2.968 N/A GLU 56.A N ASN 74.A O no hydrogen 2.869 N/A VAL 62.A N VAL 53.A O no hydrogen 2.907 N/A ALA 64.A N CYS 51.A O no hydrogen 2.895 N/A ALA 66.A N ALA 63.A O no hydrogen 3.201 N/A MET 67.A N ALA 63.A O no hydrogen 2.872 N/A VAL 69.A N THR 20.A O no hydrogen 3.007 N/A GLY 72.A N GLU 6.A O no hydrogen 2.828 N/A ASN 74.A ND2 GLU 56.A OE1 no hydrogen 2.571 N/A ILE 75.A N PHE 8.A O no hydrogen 2.637 N/A LEU 76.A N GLU 54.A O no hydrogen 2.833 N/A THR 77.A N ASP 10.A OD1 no hydrogen 3.021 N/A THR 77.A OG1 ASP 10.A OD1 no hydrogen 3.553 N/A THR 77.A OG1 ASP 10.A OD2 no hydrogen 3.067 N/A SER 79.A OG GLU 54.A OE1 no hydrogen 2.573 N/A SER 79.A OG LEU 76.A O no hydrogen 3.326 N/A SER 79.A OG SER 82.A OG no hydrogen 3.196 N/A LYS 81.A NZ PRO 59.A O no hydrogen 3.255 N/A SER 82.A OG LEU 76.A O no hydrogen 3.000 N/A SER 82.A OG SER 79.A OG no hydrogen 3.196 N/A LYS 83.A N SER 79.A O no hydrogen 2.951 N/A LYS 84.A N GLU 80.A O no hydrogen 2.893 N/A LYS 84.A NZ GLU 80.A OE2 no hydrogen 2.780 N/A ALA 85.A N LYS 81.A O no hydrogen 2.895 N/A ARG 86.A N SER 82.A O no hydrogen 2.961 N/A ARG 86.A NH1 THR 77.A O no hydrogen 2.966 N/A ARG 86.A NH2 THR 77.A O no hydrogen 2.625 N/A GLU 87.A N LYS 83.A O no hydrogen 2.949 N/A GLY 88.A N LYS 84.A O no hydrogen 2.911 N/A VAL 89.A N ALA 85.A O no hydrogen 2.975 N/A MET 90.A N ARG 86.A O no hydrogen 2.939 N/A GLU 91.A N GLU 87.A O no hydrogen 2.921 N/A PHE 92.A N GLY 88.A O no hydrogen 2.961 N/A LEU 93.A N VAL 89.A O no hydrogen 2.968 N/A LEU 94.A N MET 90.A O no hydrogen 2.966 N/A ALA 95.A N GLU 91.A O no hydrogen 2.909 N/A HIS 97.A N LEU 93.A O no hydrogen 3.076 N/A ASP 100.A N PRO 98.A O no hydrogen 2.803 N/A ILE 103.A N ASP 100.A O no hydrogen 2.967 N/A CYS 104.A N CYS 101.A O no hydrogen 3.457 N/A GLN 106.A NE2 GLU 109.A O no hydrogen 3.033 N/A ASP 114.A N CYS 110.A O no hydrogen 2.952 N/A GLN 115.A N ASP 111.A O no hydrogen 2.864 N/A GLN 115.A NE2 ARG 35.A O no hydrogen 2.915 N/A GLN 115.A NE2 ASP 111.A O no hydrogen 3.190 N/A SER 116.A N LEU 112.A O no hydrogen 2.886 N/A MET 117.A N GLN 113.A O no hydrogen 2.943 N/A MET 118.A N ASP 114.A O no hydrogen 2.932 N/A PHE 119.A N GLN 115.A O no hydrogen 2.864 N/A GLY 120.A N SER 116.A O no hydrogen 2.924 N/A SER 121.A OG ASP 122.A OD1 no hydrogen 3.167 N/A ASP 122.A N ASP 122.A OD1 no hydrogen 2.583 N/A ARG 123.A NE ASP 122.A OD1 no hydrogen 3.318 N/A ARG 123.A NH2 ASP 122.A OD2 no hydrogen 2.565 N/A ARG 125.A NE GLU 91.A OE2 no hydrogen 2.618 N/A ARG 125.A NH2 GLU 91.A OE1 no hydrogen 2.827 N/A ARG 125.A NH2 GLU 91.A OE2 no hydrogen 3.120 N/A LYS 130.A NZ LEU 94.A O no hydrogen 3.187 N/A LYS 130.A NZ ALA 95.A O no hydrogen 2.457 N/A LYS 130.A NZ HIS 97.A O no hydrogen 2.912 N/A ARG 131.A N ASN 96.A OD1 no hydrogen 3.167 N/A LYS 136.A N THR 144.A OG1 no hydrogen 2.981 N/A LYS 136.A NZ GLU 134.A O no hydrogen 3.290 N/A LYS 136.A NZ GLN 178.A OE1 no hydrogen 3.183 N/A ASN 137.A ND2 ASN 137.A O no hydrogen 2.730 N/A LYS 143.A N THR 205.A O no hydrogen 2.869 N/A THR 144.A OG1 LYS 136.A O no hydrogen 2.441 N/A ILE 145.A N ALA 203.A O no hydrogen 2.891 N/A THR 147.A OG1 VAL 133.A O no hydrogen 3.213 N/A ARG 148.A N ILE 145.A O no hydrogen 3.325 N/A ARG 148.A NE ASP 100.A OD2 no hydrogen 3.315 N/A ARG 148.A NH1 GLY 202.A O no hydrogen 3.178 N/A ARG 148.A NH2 ASP 100.A OD2 no hydrogen 3.527 N/A ARG 148.A NH2 ILE 103.A O no hydrogen 3.382 N/A CYS 149.A N MET 146.A O no hydrogen 3.253 N/A GLN 151.A NE2 MET 177.A O no hydrogen 3.368 N/A CYS 152.A SG PHE 36.A O no hydrogen 3.970 N/A THR 153.A OG1 CYS 152.A O no hydrogen 2.601 N/A ARG 154.A NH1 ILE 198.A O no hydrogen 3.193 N/A ARG 154.A NH2 TYR 38.A O no hydrogen 2.560 N/A ARG 157.A N THR 153.A O no hydrogen 2.946 N/A ARG 157.A NE THR 153.A O no hydrogen 3.041 N/A ARG 157.A NE THR 153.A OG1 no hydrogen 3.315 N/A ARG 157.A NH1 CYS 37.A O no hydrogen 2.977 N/A ARG 157.A NH1 SER 43.A O no hydrogen 2.521 N/A ARG 157.A NH2 CYS 37.A O no hydrogen 2.389 N/A ARG 157.A NH2 CYS 152.A O no hydrogen 3.053 N/A PHE 158.A N ARG 154.A O no hydrogen 2.884 N/A ALA 159.A N CYS 155.A O no hydrogen 2.904 N/A SER 160.A N ILE 156.A O no hydrogen 2.935 N/A SER 160.A OG ASP 166.A OD1 no hydrogen 3.246 N/A GLU 161.A N ARG 157.A O no hydrogen 2.900 N/A ILE 162.A N PHE 158.A O no hydrogen 2.900 N/A ALA 163.A N PHE 158.A O no hydrogen 3.073 N/A VAL 165.A N ALA 159.A O no hydrogen 2.796 N/A GLY 169.A N GLY 180.A O no hydrogen 2.923 N/A THR 171.A N GLN 178.A O no hydrogen 2.897 N/A THR 171.A OG1 GLN 178.A O no hydrogen 3.552 N/A ASP 176.A N ARG 173.A O no hydrogen 3.114 N/A MET 177.A N GLY 174.A O no hydrogen 3.280 N/A GLN 178.A N THR 171.A O no hydrogen 2.902 N/A GLN 178.A NE2 ASP 176.A O no hydrogen 3.694 N/A GLY 180.A N GLY 169.A O no hydrogen 2.895 N/A THR 181.A OG1 ILE 183.A O no hydrogen 2.482 N/A SER 189.A OG GLU 190.A O no hydrogen 2.534 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.854 N/A SER 192.A N ASP 261.A OD1 no hydrogen 2.874 N/A SER 192.A OG SER 189.A O no hydrogen 3.395 N/A SER 192.A OG ASP 261.A OD1 no hydrogen 3.250 N/A SER 192.A OG ASP 261.A OD2 no hydrogen 2.332 N/A GLY 193.A N ASP 261.A OD1 no hydrogen 2.811 N/A ASN 194.A ND2 ILE 259.A O no hydrogen 3.272 N/A ASP 197.A N GLY 193.A O no hydrogen 3.079 N/A ILE 198.A N ASN 194.A O no hydrogen 2.862 N/A CYS 199.A N VAL 195.A O no hydrogen 2.912 N/A CYS 199.A SG VAL 201.A O no hydrogen 3.183 N/A THR 205.A N LYS 143.A O no hydrogen 2.919 N/A THR 205.A OG1 LYS 143.A O no hydrogen 3.458 N/A LYS 207.A N LEU 141.A O no hydrogen 2.915 N/A LYS 207.A NZ GLY 139.A O no hydrogen 3.024 N/A TYR 209.A N SER 206.A OG no hydrogen 3.358 N/A ALA 210.A N LYS 207.A O no hydrogen 3.313 N/A PHE 211.A N ASP 105.A OD1 no hydrogen 3.214 N/A PHE 211.A N ASP 105.A OD2 no hydrogen 3.350 N/A THR 212.A N TYR 209.A O no hydrogen 3.273 N/A THR 212.A OG1 TYR 209.A O no hydrogen 2.630 N/A ARG 214.A N GLU 217.A OE1 no hydrogen 2.973 N/A ARG 214.A NH1 CYS 104.A O no hydrogen 2.426 N/A ARG 214.A NH2 CYS 101.A O no hydrogen 3.457 N/A THR 218.A N ARG 214.A O no hydrogen 3.006 N/A THR 218.A OG1 PRO 215.A O no hydrogen 2.912 N/A ARG 219.A N THR 238.A O no hydrogen 2.868 N/A LYS 220.A NZ THR 218.A O no hydrogen 3.080 N/A THR 221.A N VAL 236.A O no hydrogen 2.933 N/A SER 223.A N ILE 234.A O no hydrogen 2.882 N/A SER 223.A OG ILE 224.A O no hydrogen 3.331 N/A ILE 224.A N SER 223.A OG no hydrogen 2.444 N/A ASP 225.A N SER 232.A O no hydrogen 2.893 N/A MET 227.A N ASP 225.A OD1 no hydrogen 3.158 N/A ASN 233.A N ASN 255.A OD1 no hydrogen 3.259 N/A ASN 233.A ND2 GLN 577.A OE1 no hydrogen 3.301 N/A ILE 234.A N SER 223.A O no hydrogen 2.890 N/A VAL 235.A N LEU 247.A O no hydrogen 2.803 N/A VAL 236.A N THR 221.A O no hydrogen 2.822 N/A SER 237.A N ARG 245.A O no hydrogen 2.862 N/A THR 238.A N ARG 219.A O no hydrogen 2.907 N/A ARG 239.A N GLU 242.A O no hydrogen 2.977 N/A ARG 239.A NH1 GLU 217.A OE1 no hydrogen 3.418 N/A THR 240.A OG1 ARG 239.A O no hydrogen 2.593 N/A GLU 242.A N ARG 239.A O no hydrogen 3.172 N/A MET 244.A N SER 237.A O no hydrogen 2.667 N/A ARG 245.A N SER 237.A O no hydrogen 2.979 N/A ARG 245.A NH1 GLU 109.A OE1 no hydrogen 3.169 N/A ARG 245.A NH1 GLU 109.A OE2 no hydrogen 3.050 N/A ARG 245.A NH2 GLU 109.A OE2 no hydrogen 2.568 N/A LEU 247.A N VAL 235.A O no hydrogen 2.902 N/A ARG 249.A N ASN 233.A O no hydrogen 2.788 N/A ARG 249.A NE ILE 234.A O no hydrogen 3.230 N/A ARG 249.A NH2 SER 223.A O no hydrogen 2.961 N/A HIS 251.A N GLU 256.A O no hydrogen 3.036 N/A HIS 251.A NE2 ASP 630.A OD1 no hydrogen 3.145 N/A ASP 253.A N HIS 251.A ND1 no hydrogen 3.212 N/A ILE 254.A N HIS 251.A O no hydrogen 3.320 N/A ASN 255.A N HIS 251.A O no hydrogen 3.281 N/A ASN 255.A ND2 ARG 249.A O no hydrogen 3.367 N/A ASN 255.A ND2 TRP 258.A O no hydrogen 2.938 N/A GLU 256.A N HIS 251.A O no hydrogen 2.774 N/A TRP 258.A N ASN 255.A O no hydrogen 3.117 N/A ILE 259.A N ASN 194.A OD1 no hydrogen 3.285 N/A SER 260.A OG THR 263.A OG1 no hydrogen 3.044 N/A LYS 262.A NZ PHE 667.A O no hydrogen 3.471 N/A LYS 262.A NZ THR 670.A OG1 no hydrogen 2.667 N/A THR 263.A N SER 260.A OG no hydrogen 3.199 N/A THR 263.A OG1 ASP 225.A OD1 no hydrogen 3.110 N/A THR 263.A OG1 ASP 225.A OD2 no hydrogen 2.910 N/A THR 263.A OG1 SER 260.A OG no hydrogen 3.044 N/A ARG 264.A N SER 260.A O no hydrogen 2.925 N/A ARG 264.A NH1 ASP 197.A OD1 no hydrogen 3.145 N/A ARG 264.A NH1 ASP 197.A OD2 no hydrogen 2.924 N/A ARG 264.A NH2 ASN 194.A OD1 no hydrogen 2.685 N/A ARG 264.A NH2 ASP 197.A OD2 no hydrogen 2.350 N/A PHE 265.A N ASP 261.A O no hydrogen 2.893 N/A ALA 266.A N LYS 262.A O no hydrogen 2.906 N/A TYR 267.A OH MET 244.A O no hydrogen 3.265 N/A GLY 269.A N ALA 266.A O no hydrogen 3.186 N/A LEU 270.A N TYR 267.A O no hydrogen 3.121 N/A LYS 271.A N ASP 268.A O no hydrogen 3.309 N/A LYS 271.A NZ GLU 242.A OE2 no hydrogen 2.853 N/A LYS 271.A NZ VAL 243.A O no hydrogen 2.993 N/A ARG 272.A NH1 ALA 676.A O no hydrogen 2.770 N/A ARG 274.A NE HIS 544.A O no hydrogen 3.183 N/A ARG 274.A NH1 LEU 270.A O no hydrogen 2.877 N/A ARG 274.A NH1 GLU 564.A OE2 no hydrogen 2.730 N/A ARG 274.A NH2 GLU 564.A OE1 no hydrogen 2.996 N/A ARG 274.A NH2 GLU 564.A OE2 no hydrogen 2.925 N/A LEU 275.A N HIS 544.A O no hydrogen 2.904 N/A MET 279.A N ILE 556.A O no hydrogen 2.946 N/A VAL 280.A N THR 288.A O no hydrogen 2.943 N/A ARG 281.A N ASP 554.A O no hydrogen 3.006 N/A ARG 281.A NE ALA 553.A O no hydrogen 3.196 N/A ASN 282.A N LEU 286.A O no hydrogen 2.868 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.891 N/A THR 288.A N VAL 280.A O no hydrogen 2.891 N/A THR 288.A OG1 VAL 280.A O no hydrogen 3.421 N/A THR 288.A OG1 ASN 282.A OD1 no hydrogen 2.252 N/A THR 290.A N PRO 278.A O no hydrogen 2.912 N/A THR 290.A OG1 ASP 294.A OD2 no hydrogen 2.728 N/A SER 291.A N THR 290.A OG1 no hydrogen 2.649 N/A SER 291.A OG GLU 293.A OE1 no hydrogen 3.189 N/A TRP 292.A NE1 LEU 588.A O no hydrogen 2.599 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 2.717 N/A ASP 294.A N SER 291.A OG no hydrogen 3.206 N/A ALA 295.A N SER 291.A O no hydrogen 2.972 N/A LEU 296.A N TRP 292.A O no hydrogen 2.923 N/A SER 297.A N GLU 293.A O no hydrogen 2.891 N/A SER 297.A OG GLU 293.A O no hydrogen 2.344 N/A ARG 298.A N ASP 294.A O no hydrogen 2.982 N/A ARG 298.A NH1 ARG 281.A O no hydrogen 3.257 N/A VAL 299.A N ALA 295.A O no hydrogen 3.028 N/A ALA 300.A N LEU 296.A O no hydrogen 2.863 N/A GLY 301.A N SER 297.A O no hydrogen 2.904 N/A MET 302.A N ARG 298.A O no hydrogen 3.045 N/A LEU 303.A N VAL 299.A O no hydrogen 2.885 N/A GLN 304.A N ALA 300.A O no hydrogen 2.920 N/A ASN 305.A N GLY 301.A O no hydrogen 2.961 N/A PHE 306.A N MET 302.A O no hydrogen 3.004 N/A PHE 306.A N LEU 303.A O no hydrogen 3.257 N/A VAL 311.A N GLY 308.A O no hydrogen 3.186 N/A ALA 312.A N MET 517.A O no hydrogen 2.944 N/A ALA 313.A N ASN 338.A O no hydrogen 2.910 N/A ILE 314.A N PHE 519.A O no hydrogen 2.879 N/A ALA 315.A N CYS 340.A O no hydrogen 2.871 N/A GLY 316.A N LEU 521.A O no hydrogen 2.920 N/A ASP 320.A N ASP 320.A OD1 no hydrogen 2.320 N/A ALA 321.A N THR 568.A O no hydrogen 2.900 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.686 N/A LEU 324.A N ASP 320.A O no hydrogen 3.197 N/A VAL 325.A N ALA 321.A O no hydrogen 2.911 N/A ALA 326.A N GLU 322.A O no hydrogen 2.942 N/A LEU 327.A N ALA 323.A O no hydrogen 2.919 N/A LYS 328.A N LEU 324.A O no hydrogen 2.925 N/A ASP 329.A N VAL 325.A O no hydrogen 2.905 N/A LEU 330.A N ALA 326.A O no hydrogen 2.946 N/A LEU 331.A N LEU 327.A O no hydrogen 2.956 N/A ASN 332.A N LYS 328.A O no hydrogen 2.887 N/A LYS 333.A N ASP 329.A O no hydrogen 2.889 N/A VAL 334.A N LEU 330.A O no hydrogen 3.061 N/A ASP 335.A N ASN 332.A O no hydrogen 2.917 N/A SER 336.A N LEU 331.A O no hydrogen 2.449 N/A SER 336.A OG GLY 308.A O no hydrogen 3.244 N/A SER 336.A OG VAL 311.A O no hydrogen 2.298 N/A LEU 339.A N ASP 337.A O no hydrogen 2.863 N/A CYS 340.A N ALA 313.A O no hydrogen 2.873 N/A CYS 340.A SG GLY 506.A O no hydrogen 3.293 N/A THR 341.A OG1 GLU 343.A O no hydrogen 2.594 N/A THR 341.A OG1 GLN 495.A OE1 no hydrogen 3.202 N/A GLU 342.A N ALA 315.A O no hydrogen 2.981 N/A ILE 344.A N GLN 455.A OE1 no hydrogen 2.646 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.647 N/A ASP 353.A N ALA 350.A O no hydrogen 3.217 N/A ARG 355.A NE ASP 500.A OD1 no hydrogen 2.953 N/A ARG 355.A NE ASP 500.A OD2 no hydrogen 2.791 N/A ARG 355.A NH2 ASP 500.A OD2 no hydrogen 2.968 N/A ARG 355.A NH2 GLY 574.A O no hydrogen 2.934 N/A SER 356.A OG ASN 636.A O no hydrogen 2.676 N/A ASN 357.A N LEU 354.A O no hydrogen 3.116 N/A ASN 357.A ND2 GLY 351.A O no hydrogen 2.870 N/A TYR 358.A N ARG 355.A O no hydrogen 3.496 N/A TYR 358.A OH ASP 500.A OD1 no hydrogen 2.315 N/A LEU 360.A N THR 572.A O no hydrogen 2.763 N/A ASN 361.A ND2 SER 356.A O no hydrogen 2.891 N/A ASN 361.A ND2 MET 486.A O no hydrogen 2.857 N/A THR 362.A N ASN 487.A OD1 no hydrogen 2.526 N/A THR 362.A OG1 LYS 484.A O no hydrogen 2.414 N/A THR 363.A N LEU 360.A O no hydrogen 3.239 N/A THR 363.A OG1 THR 362.A O no hydrogen 2.455 N/A ILE 364.A N GLU 573.A OE2 no hydrogen 3.162 N/A VAL 367.A N THR 363.A O no hydrogen 2.928 N/A GLU 368.A N ILE 364.A O no hydrogen 3.065 N/A GLU 369.A N ALA 365.A O no hydrogen 2.908 N/A GLU 369.A N GLY 366.A O no hydrogen 3.133 N/A ALA 370.A N VAL 367.A O no hydrogen 3.433 N/A ASP 371.A N LYS 444.A O no hydrogen 3.469 N/A VAL 373.A N LYS 401.A O no hydrogen 2.859 N/A LEU 374.A N MET 446.A O no hydrogen 2.877 N/A LEU 375.A N ALA 403.A O no hydrogen 2.914 N/A VAL 376.A N VAL 448.A O no hydrogen 2.882 N/A GLY 377.A N ILE 405.A O no hydrogen 2.895 N/A THR 378.A OG1 GLU 383.A OE1 no hydrogen 2.352 N/A ASN 379.A N GLU 383.A OE2 no hydrogen 3.432 N/A ASN 379.A ND2 GLN 661.A O no hydrogen 2.821 N/A ARG 381.A NE GLU 190.A OE1 no hydrogen 2.664 N/A ARG 381.A NE GLU 190.A OE2 no hydrogen 3.568 N/A ARG 381.A NH1 ASP 410.A O no hydrogen 3.234 N/A PHE 382.A N ASN 379.A O no hydrogen 3.232 N/A GLU 383.A N ASN 379.A O no hydrogen 2.928 N/A ALA 384.A N PRO 380.A O no hydrogen 2.906 N/A ASN 388.A N ALA 384.A O no hydrogen 3.040 N/A ASN 388.A ND2 LEU 411.A O no hydrogen 3.381 N/A ALA 389.A N PRO 385.A O no hydrogen 2.883 N/A ARG 390.A N LEU 386.A O no hydrogen 2.912 N/A ARG 390.A NH1 GLU 252.A O no hydrogen 3.170 N/A ARG 390.A NH2 GLU 252.A O no hydrogen 2.783 N/A ILE 391.A N PHE 387.A O no hydrogen 2.968 N/A ARG 392.A N ASN 388.A O no hydrogen 2.905 N/A ARG 392.A NE GLU 161.A O no hydrogen 2.694 N/A ARG 392.A NH1 THR 412.A O no hydrogen 2.347 N/A ARG 392.A NH2 GLU 161.A O no hydrogen 3.401 N/A LYS 393.A N ALA 389.A O no hydrogen 2.901 N/A LYS 393.A NZ GLU 256.A OE1 no hydrogen 2.881 N/A LYS 393.A NZ GLU 256.A OE2 no hydrogen 3.346 N/A LYS 393.A NZ GLU 368.A OE2 no hydrogen 2.978 N/A SER 394.A N ARG 390.A O no hydrogen 2.946 N/A SER 394.A OG VAL 367.A O no hydrogen 3.222 N/A SER 394.A OG ARG 390.A O no hydrogen 2.952 N/A TRP 395.A N ILE 391.A O no hydrogen 2.841 N/A LEU 396.A N ARG 392.A O no hydrogen 2.874 N/A HIS 397.A N LYS 393.A O no hydrogen 2.960 N/A HIS 397.A ND1 LYS 393.A O no hydrogen 2.902 N/A ASN 398.A N SER 394.A O no hydrogen 2.875 N/A LEU 400.A N SER 394.A O no hydrogen 3.343 N/A LYS 401.A N ASP 371.A O no hydrogen 2.928 N/A ALA 403.A N VAL 373.A O no hydrogen 2.881 N/A LEU 404.A N ASP 416.A O no hydrogen 2.879 N/A ILE 405.A N LEU 375.A O no hydrogen 2.881 N/A GLY 406.A N GLY 419.A O no hydrogen 2.705 N/A SER 407.A N LEU 657.A O no hydrogen 2.940 N/A THR 412.A N ASP 410.A OD1 no hydrogen 3.316 N/A THR 412.A OG1 LEU 411.A O no hydrogen 2.507 N/A TYR 413.A OH ASN 388.A OD1 no hydrogen 2.433 N/A TYR 415.A OH VAL 409.A O no hydrogen 2.406 N/A ASP 416.A N VAL 402.A O no hydrogen 2.899 N/A HIS 417.A NE2 GLY 406.A O no hydrogen 2.501 N/A LEU 418.A N LEU 404.A O no hydrogen 2.920 N/A LYS 423.A N SER 421.A OG no hydrogen 3.388 N/A LEU 425.A N PRO 422.A O no hydrogen 3.207 N/A ASP 427.A N LYS 423.A O no hydrogen 2.965 N/A ILE 428.A N ILE 424.A O no hydrogen 2.872 N/A ALA 429.A N LEU 425.A O no hydrogen 2.917 N/A SER 430.A N GLN 426.A O no hydrogen 2.869 N/A GLY 431.A N ASP 427.A O no hydrogen 2.924 N/A ARG 432.A N ASP 427.A O no hydrogen 3.329 N/A PHE 435.A N HIS 433.A ND1 no hydrogen 3.170 N/A CYS 436.A SG ILE 428.A O no hydrogen 3.165 N/A GLU 437.A N HIS 433.A O no hydrogen 3.020 N/A VAL 438.A N SER 434.A O no hydrogen 2.960 N/A LEU 439.A N PHE 435.A O no hydrogen 2.837 N/A LYS 440.A N CYS 436.A O no hydrogen 2.942 N/A ASP 441.A N GLU 437.A O no hydrogen 2.975 N/A ALA 442.A N VAL 438.A O no hydrogen 2.929 N/A ALA 442.A N LEU 439.A O no hydrogen 2.886 N/A LYS 443.A N ASP 371.A OD2 no hydrogen 2.828 N/A LYS 444.A N ASP 371.A OD1 no hydrogen 3.153 N/A LYS 444.A N ASP 371.A OD2 no hydrogen 3.052 N/A MET 446.A N VAL 372.A O no hydrogen 2.929 N/A VAL 447.A N VAL 485.A O no hydrogen 2.902 N/A VAL 448.A N LEU 374.A O no hydrogen 2.900 N/A LEU 449.A N ASN 487.A O no hydrogen 2.889 N/A GLY 450.A N VAL 376.A O no hydrogen 2.953 N/A SER 451.A N LEU 489.A O no hydrogen 2.910 N/A SER 451.A OG GLU 343.A OE2 no hydrogen 2.583 N/A SER 452.A OG GLY 377.A O no hydrogen 3.093 N/A SER 452.A OG GLU 383.A OE1 no hydrogen 3.538 N/A SER 452.A OG GLU 383.A OE2 no hydrogen 2.764 N/A LEU 454.A N GLY 450.A O no hydrogen 2.987 N/A GLN 455.A N SER 451.A O no hydrogen 2.928 N/A GLN 455.A N SER 452.A O no hydrogen 3.240 N/A ARG 456.A N ALA 453.A O no hydrogen 3.381 N/A ARG 456.A NE ASP 458.A OD1 no hydrogen 3.345 N/A ARG 456.A NH1 ASP 655.A O no hydrogen 3.336 N/A ARG 456.A NH2 ASP 458.A OD1 no hydrogen 3.280 N/A ARG 456.A NH2 ASP 458.A OD2 no hydrogen 3.423 N/A ARG 456.A NH2 ASP 655.A O no hydrogen 3.197 N/A ASP 458.A N ASP 458.A OD1 no hydrogen 2.533 N/A ILE 462.A N ASP 458.A O no hydrogen 2.939 N/A LEU 463.A N GLY 459.A O no hydrogen 2.913 N/A VAL 464.A N ALA 460.A O no hydrogen 2.915 N/A ALA 465.A N ALA 461.A O no hydrogen 2.934 N/A VAL 466.A N ILE 462.A O no hydrogen 2.928 N/A SER 467.A N LEU 463.A O no hydrogen 2.911 N/A SER 467.A OG LEU 463.A O no hydrogen 2.849 N/A ASN 468.A N VAL 464.A O no hydrogen 2.916 N/A MET 469.A N ALA 465.A O no hydrogen 2.929 N/A VAL 470.A N VAL 466.A O no hydrogen 2.865 N/A GLN 471.A N SER 467.A O no hydrogen 2.930 N/A LYS 472.A N ASN 468.A O no hydrogen 2.968 N/A LYS 472.A NZ ILE 428.A O no hydrogen 3.522 N/A ILE 473.A N MET 469.A O no hydrogen 2.873 N/A ARG 474.A N VAL 470.A O no hydrogen 2.891 N/A ARG 474.A NH1 TRP 483.A O no hydrogen 2.712 N/A ARG 474.A NH2 ALA 480.A O no hydrogen 3.092 N/A VAL 475.A N GLN 471.A O no hydrogen 2.992 N/A THR 476.A N LYS 472.A O no hydrogen 2.910 N/A THR 476.A N ILE 473.A O no hydrogen 3.262 N/A THR 477.A N ILE 473.A O no hydrogen 2.913 N/A THR 477.A OG1 ILE 473.A O no hydrogen 2.437 N/A GLY 478.A N ARG 474.A O no hydrogen 3.206 N/A GLU 482.A N GLU 482.A OE1 no hydrogen 2.752 N/A TRP 483.A N ALA 480.A O no hydrogen 3.220 N/A TRP 483.A NE1 PRO 445.A O no hydrogen 2.536 N/A LYS 484.A NZ THR 635.A O no hydrogen 3.104 N/A ASN 487.A N VAL 447.A O no hydrogen 2.908 N/A ASN 487.A ND2 THR 362.A OG1 no hydrogen 2.560 N/A ASN 487.A ND2 VAL 485.A O no hydrogen 2.668 N/A ILE 488.A N LEU 359.A O no hydrogen 3.048 N/A LEU 489.A N LEU 449.A O no hydrogen 2.893 N/A HIS 490.A NE2 TYR 358.A O no hydrogen 2.580 N/A SER 494.A N GLY 317.A O no hydrogen 3.000 N/A SER 494.A OG GLY 316.A O no hydrogen 2.592 N/A SER 494.A OG GLY 317.A O no hydrogen 3.195 N/A GLN 495.A N ILE 492.A O no hydrogen 3.469 N/A ALA 498.A N SER 494.A O no hydrogen 2.950 N/A LEU 499.A N GLN 495.A O no hydrogen 2.917 N/A ASP 500.A N VAL 496.A O no hydrogen 2.911 N/A LEU 501.A N ALA 497.A O no hydrogen 2.908 N/A GLY 502.A N ALA 498.A O no hydrogen 2.955 N/A GLY 502.A N LEU 499.A O no hydrogen 3.311 N/A TYR 503.A N ALA 498.A O no hydrogen 2.898 N/A TYR 503.A OH LEU 324.A O no hydrogen 2.456 N/A LYS 504.A N LEU 339.A O no hydrogen 3.018 N/A ARG 511.A N VAL 507.A O no hydrogen 2.947 N/A ARG 511.A NH2 CYS 527.A O no hydrogen 2.940 N/A LYS 512.A N GLU 508.A O no hydrogen 2.863 N/A ASN 513.A N ALA 509.A O no hydrogen 2.928 N/A LYS 516.A N ALA 310.A O no hydrogen 2.695 N/A MET 517.A N ALA 310.A O no hydrogen 2.905 N/A LEU 518.A N PHE 538.A O no hydrogen 2.882 N/A PHE 519.A N ALA 312.A O no hydrogen 2.879 N/A LEU 520.A N VAL 540.A O no hydrogen 2.852 N/A LEU 521.A N ILE 314.A O no hydrogen 2.885 N/A GLY 522.A N LEU 520.A O no hydrogen 2.988 N/A GLY 522.A N GLN 542.A O no hydrogen 2.897 N/A GLY 525.A N GLU 342.A OE2 no hydrogen 2.578 N/A CYS 527.A SG GLU 342.A O no hydrogen 4.036 N/A THR 529.A N ASP 532.A OD1 no hydrogen 3.129 N/A ARG 530.A NE MET 552.A O no hydrogen 3.103 N/A ARG 530.A NH1 CYS 537.A O no hydrogen 3.316 N/A ARG 530.A NH2 MET 552.A O no hydrogen 2.868 N/A ASP 532.A N ASP 532.A OD1 no hydrogen 2.506 N/A ASP 536.A N ASP 536.A OD1 no hydrogen 2.428 N/A CYS 537.A SG PRO 515.A O no hydrogen 3.365 N/A CYS 537.A SG LYS 516.A O no hydrogen 3.662 N/A PHE 538.A N LYS 516.A O no hydrogen 2.926 N/A ILE 539.A N ASP 554.A OD2 no hydrogen 3.377 N/A VAL 540.A N LEU 518.A O no hydrogen 2.949 N/A TYR 541.A N VAL 555.A O no hydrogen 2.890 N/A TYR 541.A OH ASP 524.A OD1 no hydrogen 3.316 N/A TYR 541.A OH ASP 524.A OD2 no hydrogen 2.409 N/A TYR 541.A OH HIS 545.A O no hydrogen 3.065 N/A GLN 542.A N LEU 520.A O no hydrogen 2.908 N/A GLN 542.A NE2 ASP 592.A OD2 no hydrogen 2.754 N/A GLY 543.A N LEU 557.A O no hydrogen 2.989 N/A HIS 544.A ND1 HIS 545.A ND1 no hydrogen 2.983 N/A HIS 545.A ND1 HIS 544.A ND1 no hydrogen 2.983 N/A HIS 545.A NE2 GLY 269.A O no hydrogen 2.442 N/A GLY 546.A N GLN 273.A O no hydrogen 3.170 N/A VAL 548.A N ASP 524.A OD1 no hydrogen 3.066 N/A GLY 549.A N ASP 524.A OD1 no hydrogen 2.758 N/A ALA 553.A N ALA 550.A O no hydrogen 3.154 N/A ASP 554.A N ILE 539.A O no hydrogen 2.644 N/A VAL 555.A N ILE 539.A O no hydrogen 3.006 N/A ILE 556.A N MET 279.A O no hydrogen 2.867 N/A LEU 557.A N TYR 541.A O no hydrogen 2.863 N/A GLY 559.A N GLY 543.A O no hydrogen 2.828 N/A ALA 560.A N ASP 592.A OD1 no hydrogen 3.331 N/A ALA 561.A N GLU 564.A OE1 no hydrogen 2.593 N/A GLU 564.A N ALA 561.A O no hydrogen 2.811 N/A LYS 565.A N ALA 561.A O no hydrogen 2.954 N/A LYS 565.A NZ ASP 320.A OD1 no hydrogen 3.119 N/A LYS 565.A NZ ASP 592.A OD1 no hydrogen 2.941 N/A SER 566.A OG THR 579.A O no hydrogen 3.125 N/A ALA 567.A N THR 579.A O no hydrogen 2.918 N/A THR 568.A N GLU 322.A OE1 no hydrogen 3.025 N/A THR 568.A OG1 GLU 322.A OE2 no hydrogen 2.533 N/A TYR 569.A N GLN 577.A O no hydrogen 2.897 N/A ASN 571.A N ARG 575.A O no hydrogen 2.957 N/A ASN 571.A ND2 VAL 230.A O no hydrogen 3.127 N/A ASN 571.A ND2 GLU 573.A OE1 no hydrogen 2.733 N/A THR 572.A N ALA 229.A O no hydrogen 2.989 N/A GLY 574.A N ASN 571.A O no hydrogen 3.161 N/A ARG 575.A N ASN 571.A OD1 no hydrogen 2.853 N/A ARG 575.A NE ASP 630.A OD1 no hydrogen 2.621 N/A GLN 577.A N TYR 569.A O no hydrogen 2.881 N/A GLN 577.A NE2 GLY 231.A O no hydrogen 3.329 N/A THR 579.A N ALA 567.A O no hydrogen 2.844 N/A THR 579.A OG1 TYR 562.A O no hydrogen 3.313 N/A THR 579.A OG1 LYS 565.A O no hydrogen 2.768 N/A ALA 582.A N THR 563.A O no hydrogen 3.047 N/A VAL 583.A N THR 563.A O no hydrogen 3.165 N/A LEU 588.A N THR 276.A O no hydrogen 2.710 N/A ALA 589.A N PRO 586.A O no hydrogen 3.229 N/A ARG 590.A N PRO 558.A O no hydrogen 3.125 N/A ARG 590.A NH1 ALA 589.A O no hydrogen 3.234 N/A ILE 595.A N GLU 591.A O no hydrogen 2.920 N/A ILE 596.A N ASP 592.A O no hydrogen 2.995 N/A ARG 597.A N TRP 593.A O no hydrogen 2.870 N/A ARG 597.A NE TYR 609.A O no hydrogen 2.866 N/A ARG 597.A NE ASP 610.A OD1 no hydrogen 3.155 N/A ARG 597.A NH1 ARG 597.A O no hydrogen 3.530 N/A ARG 597.A NH1 GLU 601.A OE1 no hydrogen 2.458 N/A ARG 597.A NH2 ASP 610.A OD1 no hydrogen 2.425 N/A ALA 598.A N LYS 594.A O no hydrogen 2.899 N/A LEU 599.A N ILE 595.A O no hydrogen 2.925 N/A SER 600.A N ILE 596.A O no hydrogen 2.888 N/A SER 600.A OG ILE 596.A O no hydrogen 3.556 N/A SER 600.A OG ARG 597.A O no hydrogen 2.407 N/A GLU 601.A N ARG 597.A O no hydrogen 2.943 N/A ILE 602.A N ALA 598.A O no hydrogen 2.990 N/A ALA 603.A N LEU 599.A O no hydrogen 2.856 N/A GLY 604.A N SER 600.A O no hydrogen 2.946 N/A GLY 604.A N GLU 601.A O no hydrogen 3.337 N/A ILE 605.A N SER 600.A O no hydrogen 3.061 N/A TYR 609.A N LEU 607.A O no hydrogen 2.839 N/A TYR 609.A OH ASP 329.A OD2 no hydrogen 2.662 N/A ASP 610.A N GLN 614.A OE1 no hydrogen 2.496 N/A THR 611.A N GLN 614.A OE1 no hydrogen 3.207 N/A VAL 615.A N THR 611.A O no hydrogen 2.997 N/A ARG 616.A N LEU 612.A O no hydrogen 2.886 N/A ASN 617.A N ASP 613.A O no hydrogen 2.900 N/A ARG 618.A N GLN 614.A O no hydrogen 2.959 N/A ARG 618.A NE ASP 329.A OD1 no hydrogen 3.480 N/A ARG 618.A NE ASP 329.A OD2 no hydrogen 3.011 N/A ARG 618.A NH1 GLU 621.A OE2 no hydrogen 2.962 N/A ARG 618.A NH2 ASP 329.A OD1 no hydrogen 3.354 N/A LEU 619.A N VAL 615.A O no hydrogen 2.888 N/A GLU 620.A N ARG 616.A O no hydrogen 2.876 N/A GLU 621.A N ASN 617.A O no hydrogen 2.922 N/A VAL 622.A N ARG 618.A O no hydrogen 2.950 N/A SER 623.A N LEU 619.A O no hydrogen 2.919 N/A SER 623.A OG ASN 625.A OD1 no hydrogen 3.344 N/A ASN 625.A N SER 623.A O no hydrogen 2.817 N/A LEU 626.A N SER 623.A O no hydrogen 3.492 N/A ASP 630.A N ALA 576.A O no hydrogen 2.762 N/A GLN 639.A NE2 GLU 643.A OE2 no hydrogen 3.314 N/A ALA 641.A N TYR 637.A O no hydrogen 2.991 N/A SER 642.A N PHE 638.A O no hydrogen 2.815 N/A SER 642.A OG PHE 638.A O no hydrogen 2.970 N/A SER 642.A OG GLN 639.A O no hydrogen 2.683 N/A GLU 643.A N GLN 639.A O no hydrogen 2.930 N/A LEU 644.A N GLN 640.A O no hydrogen 3.028 N/A ALA 645.A N ALA 641.A O no hydrogen 2.882 N/A LYS 646.A N SER 642.A O no hydrogen 2.829 N/A LEU 647.A N GLU 643.A O no hydrogen 3.027 N/A VAL 648.A N LEU 644.A O no hydrogen 2.988 N/A VAL 648.A N ALA 645.A O no hydrogen 3.121 N/A GLN 650.A NE2 GLU 348.A OE2 no hydrogen 2.979 N/A LEU 653.A N ASP 458.A OD2 no hydrogen 2.544 N/A LEU 657.A N ASP 420.A O no hydrogen 2.807 N/A LEU 662.A N ASP 666.A OD2 no hydrogen 3.273 N/A THR 663.A OG1 ASP 666.A OD2 no hydrogen 3.433 N/A LYS 665.A NZ ASP 666.A OD1 no hydrogen 2.856 N/A PHE 667.A N THR 663.A O no hydrogen 3.005 N/A TYR 668.A N ILE 664.A O no hydrogen 2.994 N/A THR 670.A OG1 ASP 671.A OD2 no hydrogen 3.504 N/A ILE 673.A N ASP 671.A OD1 no hydrogen 2.949 N/A SER 674.A N ASP 671.A OD1 no hydrogen 3.187 N/A SER 674.A OG ASP 671.A OD1 no hydrogen 3.541 N/A SER 674.A OG ASP 671.A OD2 no hydrogen 3.538 N/A ARG 675.A N ASP 671.A O no hydrogen 2.933 N/A ARG 675.A NE ASP 547.A OD2 no hydrogen 2.449 N/A ARG 675.A NH1 THR 670.A O no hydrogen 3.163 N/A ARG 675.A NH2 ASP 547.A OD2 no hydrogen 3.035 N/A ALA 676.A N SER 672.A O no hydrogen 2.897 N/A SER 677.A N SER 674.A O no hydrogen 3.287 N/A SER 677.A OG ASP 268.A OD1 no hydrogen 2.356 N/A SER 677.A OG ASP 268.A OD2 no hydrogen 3.374 N/A THR 679.A N ASP 268.A OD2 no hydrogen 3.183 N/A THR 679.A OG1 ASP 268.A OD2 no hydrogen 2.922 N/A MET 680.A N SER 677.A OG no hydrogen 3.190 N/A LYS 682.A N GLN 678.A O no hydrogen 2.921 N/A CYS 683.A N THR 679.A O no hydrogen 2.915 N/A CYS 683.A SG THR 679.A O no hydrogen 3.134 N/A VAL 684.A N MET 680.A O no hydrogen 2.895 N/A LYS 685.A N ALA 681.A O no hydrogen 2.921 N/A ALA 686.A N LYS 682.A O no hydrogen 2.879 N/A VAL 687.A N CYS 683.A O no hydrogen 2.939 N/A THR 688.A N VAL 684.A O no hydrogen 2.903 N/A THR 688.A OG1 VAL 684.A O no hydrogen 2.785 N/A GLU 689.A N LYS 685.A O no hydrogen 2.908 N/A GLY 690.A N LYS 685.A O no hydrogen 3.325 N/A