Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7rw6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 GLU 38.A OE2 no hydrogen 2.238 N/A LEU 6.A N VAL 2.A O no hydrogen 3.446 N/A LEU 7.A N GLU 3.A O no hydrogen 2.851 N/A SER 8.A N HIS 4.A O no hydrogen 2.884 N/A LYS 9.A N GLU 5.A O no hydrogen 2.946 N/A LEU 10.A N LEU 6.A O no hydrogen 2.933 N/A ILE 11.A N LEU 7.A O no hydrogen 2.838 N/A ASP 12.A N SER 8.A O no hydrogen 2.963 N/A GLU 13.A N LYS 9.A O no hydrogen 2.937 N/A LEU 14.A N LEU 10.A O no hydrogen 2.878 N/A LYS 15.A N ILE 11.A O no hydrogen 2.879 N/A LYS 15.A NZ TYR 89.A OH no hydrogen 3.539 N/A VAL 16.A N ASP 12.A O no hydrogen 2.960 N/A LYS 17.A N LEU 14.A O no hydrogen 3.303 N/A LYS 17.A NZ GLU 13.A O no hydrogen 2.431 N/A ALA 18.A N LYS 15.A O no hydrogen 3.476 N/A GLU 23.A N ASP 21.A OD1 no hydrogen 3.397 N/A ALA 24.A N ASP 21.A O no hydrogen 3.319 N/A ALA 28.A N ALA 24.A O no hydrogen 2.726 N/A GLY 29.A N ASP 25.A O no hydrogen 2.889 N/A ARG 30.A N VAL 26.A O no hydrogen 2.938 N/A ARG 30.A NH1 GLU 82.A OE2 no hydrogen 2.679 N/A LEU 31.A N LEU 27.A O no hydrogen 2.898 N/A LEU 32.A N ALA 28.A O no hydrogen 2.876 N/A HIS 33.A N GLY 29.A O no hydrogen 2.941 N/A HIS 33.A ND1 TYR 96.A OH no hydrogen 2.876 N/A ARG 34.A N ARG 30.A O no hydrogen 2.910 N/A ARG 34.A NE GLU 3.A OE2 no hydrogen 2.865 N/A ARG 34.A NH2 GLU 3.A OE2 no hydrogen 3.109 N/A LEU 35.A N LEU 31.A O no hydrogen 2.871 N/A LYS 36.A N LEU 32.A O no hydrogen 3.270 N/A ALA 37.A N ARG 34.A O no hydrogen 3.169 N/A SER 39.A N LYS 36.A O no hydrogen 3.185 N/A THR 41.A N GLN 108.A O no hydrogen 2.980 N/A THR 41.A OG1 HIS 113.A ND1 no hydrogen 2.400 N/A HIS 42.A N GLU 46.A OE1 no hydrogen 3.280 N/A VAL 44.A N GLU 69.A OE1 no hydrogen 2.682 N/A GLU 46.A N THR 43.A OG1 no hydrogen 3.292 N/A TYR 47.A N THR 43.A O no hydrogen 2.832 N/A TYR 47.A OH GLU 109.A OE1 no hydrogen 3.198 N/A LEU 48.A N VAL 44.A O no hydrogen 2.885 N/A GLU 49.A N ALA 45.A O no hydrogen 2.907 N/A VAL 50.A N GLU 46.A O no hydrogen 2.891 N/A PHE 51.A N TYR 47.A O no hydrogen 3.054 N/A LYS 54.A N PHE 51.A O no hydrogen 3.079 N/A LYS 54.A NZ TYR 101.A OH no hydrogen 2.740 N/A LYS 54.A NZ VAL 174.A O no hydrogen 2.654 N/A PHE 55.A N SER 52.A O no hydrogen 3.072 N/A GLN 62.A N GLU 58.A O no hydrogen 3.273 N/A GLN 62.A NE2 PHE 55.A O no hydrogen 2.560 N/A MET 63.A N GLU 59.A O no hydrogen 2.921 N/A HIS 64.A N PHE 61.A O no hydrogen 3.249 N/A HIS 64.A NE2 ASP 146.A OD2 no hydrogen 2.665 N/A ARG 65.A NH1 GLN 62.A OE1 no hydrogen 3.009 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.716 N/A LEU 68.A N HIS 64.A O no hydrogen 2.869 N/A GLU 69.A N ARG 65.A O no hydrogen 2.896 N/A THR 70.A N ASP 66.A O no hydrogen 2.932 N/A THR 70.A OG1 ASP 66.A O no hydrogen 3.309 N/A ARG 71.A N GLU 67.A O no hydrogen 2.927 N/A ARG 71.A NE ASP 151.A OD1 no hydrogen 2.482 N/A ARG 71.A NE ASP 151.A OD2 no hydrogen 3.053 N/A ARG 71.A NH2 ASP 151.A OD2 no hydrogen 2.890 N/A VAL 72.A N LEU 68.A O no hydrogen 2.866 N/A SER 73.A N GLU 69.A O no hydrogen 2.890 N/A SER 73.A OG GLU 69.A O no hydrogen 2.915 N/A ALA 74.A N THR 70.A O no hydrogen 2.929 N/A PHE 75.A N ARG 71.A O no hydrogen 2.875 N/A ALA 76.A N VAL 72.A O no hydrogen 2.891 N/A ALA 76.A N SER 73.A O no hydrogen 3.174 N/A GLN 77.A N SER 73.A O no hydrogen 3.499 N/A SER 78.A N PHE 75.A O no hydrogen 3.018 N/A TYR 81.A N SER 78.A O no hydrogen 3.165 N/A GLU 82.A N SER 78.A O no hydrogen 3.451 N/A ARG 83.A N PRO 79.A O no hydrogen 2.899 N/A ARG 83.A NH1 GLN 160.A OE1 no hydrogen 2.398 N/A ILE 84.A N ALA 80.A O no hydrogen 2.908 N/A VAL 85.A N TYR 81.A O no hydrogen 2.889 N/A SER 86.A N GLU 82.A O no hydrogen 2.905 N/A SER 86.A OG GLU 82.A O no hydrogen 2.637 N/A SER 86.A OG ARG 83.A O no hydrogen 3.215 N/A SER 87.A N ILE 84.A O no hydrogen 3.340 N/A SER 87.A OG ARG 83.A O no hydrogen 2.809 N/A SER 87.A OG ILE 84.A O no hydrogen 3.037 N/A SER 91.A OG VAL 548.A O no hydrogen 3.021 N/A ALA 92.A N GLY 88.A O no hydrogen 3.478 N/A LEU 93.A N TYR 89.A O no hydrogen 2.898 N/A ARG 94.A N LEU 90.A O no hydrogen 2.899 N/A TYR 95.A N SER 91.A O no hydrogen 2.917 N/A TYR 95.A OH TYR 115.A OH no hydrogen 2.282 N/A TYR 96.A N ALA 92.A O no hydrogen 2.929 N/A TYR 96.A OH HIS 33.A ND1 no hydrogen 2.876 N/A THR 98.A N ARG 94.A O no hydrogen 2.906 N/A THR 98.A OG1 ARG 94.A O no hydrogen 2.773 N/A TYR 99.A N ARG 94.A O no hydrogen 3.367 N/A LEU 100.A N TYR 95.A O no hydrogen 2.936 N/A TYR 101.A N GLU 109.A OE2 no hydrogen 3.008 N/A GLY 106.A N GLY 103.A O no hydrogen 3.345 N/A LYS 107.A NZ GLU 38.A O no hydrogen 2.862 N/A LYS 107.A NZ VAL 40.A O no hydrogen 3.359 N/A GLN 108.A N SER 39.A O no hydrogen 3.199 N/A GLN 108.A NE2 TYR 96.A O no hydrogen 3.253 N/A GLN 108.A NE2 LEU 100.A O no hydrogen 2.807 N/A GLU 109.A N TYR 101.A O no hydrogen 3.002 N/A SER 110.A OG THR 41.A O no hydrogen 3.101 N/A SER 110.A OG HIS 113.A ND1 no hydrogen 2.843 N/A GLN 112.A N GLN 112.A OE1 no hydrogen 2.776 N/A HIS 113.A N SER 110.A OG no hydrogen 3.266 N/A HIS 113.A ND1 THR 41.A OG1 no hydrogen 2.400 N/A PHE 114.A N SER 110.A O no hydrogen 2.676 N/A TYR 115.A N VAL 111.A O no hydrogen 2.956 N/A TYR 115.A OH TYR 95.A OH no hydrogen 2.282 N/A MET 116.A N GLN 112.A O no hydrogen 2.883 N/A ARG 117.A N HIS 113.A O no hydrogen 2.835 N/A ARG 117.A NE GLU 109.A OE1 no hydrogen 3.234 N/A ARG 117.A NE GLU 109.A OE2 no hydrogen 3.220 N/A ARG 117.A NH1 ALA 172.A O no hydrogen 3.158 N/A ARG 117.A NH2 GLU 109.A OE2 no hydrogen 2.911 N/A ARG 117.A NH2 MET 169.A O no hydrogen 2.927 N/A LEU 118.A N PHE 114.A O no hydrogen 3.009 N/A ALA 119.A N TYR 115.A O no hydrogen 2.953 N/A GLY 120.A N MET 116.A O no hydrogen 2.787 N/A PHE 121.A N ARG 117.A O no hydrogen 2.890 N/A CYS 122.A N LEU 118.A O no hydrogen 3.034 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.406 N/A ALA 123.A N ALA 119.A O no hydrogen 2.868 N/A SER 124.A N GLY 120.A O no hydrogen 2.829 N/A SER 124.A OG GLU 58.A OE2 no hydrogen 2.823 N/A THR 125.A N PHE 121.A O no hydrogen 2.940 N/A THR 125.A OG1 PHE 121.A O no hydrogen 2.948 N/A THR 126.A N CYS 122.A O no hydrogen 2.969 N/A THR 126.A OG1 CYS 122.A O no hydrogen 3.211 N/A THR 126.A OG1 ALA 123.A O no hydrogen 2.511 N/A CYS 127.A N ALA 123.A O no hydrogen 2.884 N/A LEU 128.A N SER 124.A O no hydrogen 2.897 N/A TYR 129.A N THR 125.A O no hydrogen 2.961 N/A TYR 129.A OH LEU 422.A O no hydrogen 2.828 N/A ALA 130.A N THR 126.A O no hydrogen 3.353 N/A ALA 135.A N GLY 131.A O no hydrogen 2.951 N/A LEU 136.A N LEU 132.A O no hydrogen 2.875 N/A GLN 137.A N ARG 133.A O no hydrogen 2.901 N/A ARG 138.A N ALA 134.A O no hydrogen 2.910 N/A ARG 138.A NH1 ARG 138.A O no hydrogen 3.213 N/A ARG 138.A NH1 GLY 377.A O no hydrogen 2.413 N/A ARG 138.A NH2 GLU 379.A OE1 no hydrogen 3.200 N/A ALA 139.A N ALA 135.A O no hydrogen 2.876 N/A ARG 140.A NE GLU 142.A OE2 no hydrogen 2.904 N/A ARG 140.A NH1 ARG 372.A O no hydrogen 3.468 N/A ARG 140.A NH2 GLU 142.A OE2 no hydrogen 2.779 N/A ARG 140.A NH2 ARG 372.A O no hydrogen 2.910 N/A GLU 142.A N ARG 140.A O no hydrogen 2.666 N/A ILE 143.A N ARG 140.A O no hydrogen 3.194 N/A GLU 144.A N GLU 148.A OE1 no hydrogen 2.419 N/A GLU 148.A N SER 145.A O no hydrogen 2.994 N/A VAL 149.A N SER 145.A O no hydrogen 3.222 N/A PHE 150.A N ASP 146.A O no hydrogen 2.941 N/A ASP 151.A N MET 147.A O no hydrogen 2.866 N/A TYR 152.A N GLU 148.A O no hydrogen 2.897 N/A TYR 153.A N VAL 149.A O no hydrogen 2.998 N/A PHE 154.A N PHE 150.A O no hydrogen 2.801 N/A GLU 155.A N ASP 151.A O no hydrogen 2.860 N/A HIS 156.A N TYR 152.A O no hydrogen 3.016 N/A HIS 156.A ND1 THR 161.A OG1 no hydrogen 2.810 N/A LEU 157.A N TYR 153.A O no hydrogen 2.893 N/A THR 158.A N PHE 154.A O no hydrogen 2.871 N/A THR 158.A OG1 PHE 154.A O no hydrogen 2.463 N/A SER 159.A N GLU 155.A O no hydrogen 3.340 N/A SER 159.A OG GLU 155.A O no hydrogen 2.493 N/A SER 159.A OG HIS 156.A O no hydrogen 3.376 N/A GLN 160.A N LEU 157.A O no hydrogen 2.954 N/A GLN 160.A NE2 TYR 115.A OH no hydrogen 3.263 N/A GLN 160.A NE2 VAL 548.A O no hydrogen 3.583 N/A THR 161.A OG1 HIS 156.A ND1 no hydrogen 2.810 N/A THR 161.A OG1 HIS 156.A O no hydrogen 3.082 N/A VAL 162.A N HIS 156.A O no hydrogen 3.409 N/A CYS 163.A N ASN 354.A O no hydrogen 2.708 N/A CYS 163.A SG GLN 160.A O no hydrogen 3.793 N/A MET 169.A N SER 165.A O no hydrogen 2.949 N/A ARG 170.A N THR 166.A O no hydrogen 2.924 N/A PHE 171.A N PRO 167.A O no hydrogen 2.905 N/A LEU 179.A N GLY 424.A O no hydrogen 3.011 N/A CYS 182.A N CYS 350.A O no hydrogen 3.351 N/A CYS 182.A SG GLU 338.A OE2 no hydrogen 3.591 N/A ILE 183.A N GLY 200.A O no hydrogen 2.872 N/A LEU 184.A N ALA 348.A O no hydrogen 2.897 N/A THR 185.A N GLY 202.A O no hydrogen 2.824 N/A THR 186.A N SER 343.A O no hydrogen 3.293 N/A THR 186.A OG1 SER 343.A OG no hydrogen 2.419 N/A ARG 193.A NH1 HIS 190.A ND1 no hydrogen 3.087 N/A TYR 194.A N LEU 191.A O no hydrogen 3.210 N/A LEU 195.A N LEU 191.A O no hydrogen 3.313 N/A LEU 195.A N GLY 192.A O no hydrogen 3.256 N/A PHE 196.A N GLY 192.A O no hydrogen 3.490 N/A GLN 197.A N TYR 194.A O no hydrogen 3.176 N/A GLN 197.A NE2 ARG 193.A O no hydrogen 3.473 N/A GLY 200.A N SER 181.A O no hydrogen 3.108 N/A VAL 201.A N SER 212.A O no hydrogen 3.300 N/A GLY 202.A N ILE 183.A O no hydrogen 2.805 N/A VAL 203.A N ALA 214.A O no hydrogen 2.705 N/A GLY 204.A N THR 185.A O no hydrogen 3.160 N/A VAL 205.A N TYR 216.A O no hydrogen 2.886 N/A ALA 208.A N VAL 205.A O no hydrogen 3.299 N/A ALA 214.A N VAL 201.A O no hydrogen 2.798 N/A ALA 215.A N PHE 233.A O no hydrogen 3.364 N/A TYR 216.A N VAL 203.A O no hydrogen 2.849 N/A TYR 216.A OH ASN 334.A O no hydrogen 2.561 N/A MET 217.A N GLY 235.A O no hydrogen 2.786 N/A TRP 220.A NE1 GLU 218.A OE1 no hydrogen 2.394 N/A HIS 221.A N GLU 218.A O no hydrogen 3.097 N/A GLN 223.A N HIS 221.A ND1 no hydrogen 3.028 N/A ILE 224.A N HIS 221.A O no hydrogen 3.239 N/A PHE 227.A N GLN 223.A O no hydrogen 2.897 N/A LEU 228.A N ILE 224.A O no hydrogen 2.891 N/A GLU 229.A N PHE 225.A O no hydrogen 3.436 N/A PHE 233.A N VAL 213.A O no hydrogen 2.796 N/A THR 234.A N SER 308.A O no hydrogen 3.085 N/A THR 234.A OG1 SER 308.A OG no hydrogen 2.814 N/A LEU 236.A N PHE 310.A O no hydrogen 2.492 N/A VAL 238.A N LEU 312.A O no hydrogen 2.828 N/A LYS 244.A N GLU 240.A O no hydrogen 2.914 N/A LEU 245.A N LEU 241.A O no hydrogen 2.879 N/A PHE 246.A N PHE 242.A O no hydrogen 2.935 N/A ARG 247.A N PHE 243.A O no hydrogen 2.899 N/A ASP 248.A N LYS 244.A O no hydrogen 3.428 N/A THR 249.A OG1 ASP 248.A O no hydrogen 2.445 N/A THR 249.A OG1 THR 249.A O no hydrogen 2.541 N/A SER 252.A N THR 249.A O no hydrogen 3.081 N/A TYR 255.A N TYR 277.A OH no hydrogen 2.859 N/A PHE 257.A N TRP 220.A O no hydrogen 2.638 N/A ASP 261.A N ASP 258.A OD1 no hydrogen 3.408 N/A ALA 262.A N ASP 261.A OD1 no hydrogen 2.528 N/A LEU 265.A N ALA 262.A O no hydrogen 3.272 N/A ARG 267.A N ASP 264.A O no hydrogen 3.216 N/A ARG 267.A NE GLY 327.A O no hydrogen 2.891 N/A LEU 268.A N ASP 264.A O no hydrogen 3.191 N/A TYR 269.A OH ASP 324.A O no hydrogen 3.405 N/A GLY 270.A N GLU 315.A OE2 no hydrogen 2.621 N/A PHE 273.A N GLY 270.A O no hydrogen 3.138 N/A ARG 275.A N GLU 271.A O no hydrogen 3.076 N/A ARG 275.A NE GLU 271.A OE1 no hydrogen 2.715 N/A GLU 276.A N GLU 272.A O no hydrogen 2.749 N/A TYR 277.A N PHE 273.A O no hydrogen 2.765 N/A TYR 277.A OH TYR 255.A O no hydrogen 2.720 N/A TYR 278.A N GLU 274.A O no hydrogen 2.890 N/A ARG 279.A N ARG 275.A O no hydrogen 2.758 N/A ARG 279.A NE GLU 276.A OE1 no hydrogen 3.537 N/A ARG 279.A NH2 GLU 276.A OE2 no hydrogen 2.508 N/A LEU 280.A N GLU 276.A O no hydrogen 2.909 N/A VAL 281.A N TYR 277.A O no hydrogen 2.932 N/A THR 282.A N TYR 278.A O no hydrogen 2.902 N/A THR 282.A OG1 TYR 278.A O no hydrogen 2.556 N/A ALA 283.A N ARG 279.A O no hydrogen 2.917 N/A GLY 284.A N VAL 281.A O no hydrogen 3.318 N/A LYS 285.A N LEU 280.A O no hydrogen 3.367 N/A LYS 285.A NZ ASP 261.A OD2 no hydrogen 2.930 N/A CYS 287.A N LEU 256.A O no hydrogen 2.698 N/A GLY 288.A N LEU 256.A O no hydrogen 2.981 N/A ILE 292.A N SER 252.A O no hydrogen 3.442 N/A SER 294.A OG SER 291.A O no hydrogen 2.422 N/A LEU 295.A N SER 291.A O no hydrogen 3.094 N/A MET 296.A N ILE 292.A O no hydrogen 2.898 N/A PHE 297.A N LYS 293.A O no hydrogen 2.931 N/A SER 298.A N SER 294.A O no hydrogen 2.858 N/A ILE 299.A N LEU 295.A O no hydrogen 2.929 N/A VAL 300.A N MET 296.A O no hydrogen 2.919 N/A ASN 301.A N PHE 297.A O no hydrogen 2.862 N/A CYS 302.A N SER 298.A O no hydrogen 2.901 N/A CYS 302.A SG SER 298.A O no hydrogen 3.240 N/A ALA 303.A N ILE 299.A O no hydrogen 2.903 N/A VAL 304.A N VAL 300.A O no hydrogen 2.914 N/A LYS 305.A N ASN 301.A O no hydrogen 2.920 N/A ALA 306.A N CYS 302.A O no hydrogen 3.183 N/A SER 308.A OG THR 234.A OG1 no hydrogen 2.814 N/A PHE 310.A N THR 234.A O no hydrogen 2.736 N/A ILE 311.A N MET 636.A O no hydrogen 2.997 N/A LEU 312.A N LEU 236.A O no hydrogen 2.874 N/A LEU 313.A N LYS 633.A O no hydrogen 2.698 N/A LYS 314.A N VAL 238.A O no hydrogen 2.942 N/A LYS 314.A NZ GLU 218.A OE1 no hydrogen 3.129 N/A LYS 314.A NZ GLU 218.A OE2 no hydrogen 2.751 N/A LYS 314.A NZ GLU 266.A O no hydrogen 3.465 N/A LYS 314.A NZ LEU 268.A O no hydrogen 3.212 N/A CYS 317.A N LEU 313.A O no hydrogen 2.942 N/A CYS 317.A SG LEU 313.A O no hydrogen 3.129 N/A CYS 317.A SG LYS 633.A O no hydrogen 3.862 N/A ASN 318.A N LYS 314.A O no hydrogen 2.937 N/A ASN 318.A ND2 LYS 314.A O no hydrogen 2.658 N/A ASN 318.A ND2 MET 330.A O no hydrogen 3.618 N/A ALA 319.A N GLU 315.A O no hydrogen 2.876 N/A PHE 321.A N ASN 318.A O no hydrogen 3.201 N/A MET 330.A N ASN 318.A OD1 no hydrogen 3.013 N/A CYS 336.A SG TYR 637.A OH no hydrogen 3.746 N/A ALA 337.A N ASN 334.A O no hydrogen 3.441 N/A GLU 338.A N ASN 334.A OD1 no hydrogen 2.643 N/A VAL 339.A N ASN 334.A OD1 no hydrogen 2.812 N/A GLN 341.A NE2 THR 349.A O no hydrogen 2.661 N/A SER 343.A OG THR 186.A OG1 no hydrogen 2.419 N/A ARG 344.A NH1 GLU 266.A OE2 no hydrogen 2.954 N/A ARG 344.A NH2 ALA 329.A O no hydrogen 2.705 N/A ALA 348.A N LEU 184.A O no hydrogen 3.157 N/A CYS 350.A N CYS 182.A O no hydrogen 2.911 N/A CYS 350.A SG SER 435.A O no hydrogen 3.796 N/A CYS 350.A SG SER 435.A OG no hydrogen 3.301 N/A ASN 351.A N SER 435.A O no hydrogen 3.135 N/A ASN 351.A ND2 LEU 179.A O no hydrogen 3.387 N/A ASN 351.A ND2 SER 420.A OG no hydrogen 2.845 N/A ALA 353.A N GLY 437.A O no hydrogen 3.117 N/A ASN 354.A N CYS 163.A O no hydrogen 2.648 N/A ILE 355.A N GLY 439.A O no hydrogen 3.196 N/A CYS 356.A SG THR 549.A OG1 no hydrogen 3.643 N/A LEU 357.A N GLN 441.A O no hydrogen 2.996 N/A ARG 359.A N CYS 356.A O no hydrogen 3.031 N/A ARG 359.A NE SER 159.A O no hydrogen 2.897 N/A ARG 359.A NH2 SER 159.A O no hydrogen 3.479 N/A CYS 360.A N LEU 357.A O no hydrogen 2.776 N/A CYS 360.A SG CYS 356.A O no hydrogen 3.995 N/A LEU 361.A N PRO 358.A O no hydrogen 3.268 N/A ALA 364.A N LEU 361.A O no hydrogen 3.367 N/A ARG 369.A N GLU 155.A OE1 no hydrogen 3.310 N/A GLN 371.A N GLN 371.A OE1 no hydrogen 2.613 N/A THR 375.A OG1 GLU 142.A OE1 no hydrogen 3.566 N/A THR 375.A OG1 ASP 374.A O no hydrogen 2.495 N/A GLU 379.A N GLU 379.A OE1 no hydrogen 2.758 N/A LEU 381.A N ASP 378.A O no hydrogen 2.920 N/A LEU 382.A N ASP 378.A O no hydrogen 2.962 N/A LEU 387.A N SER 402.A O no hydrogen 2.360 N/A SER 388.A OG GLU 465.A OE1 no hydrogen 2.812 N/A THR 390.A OG1 SER 388.A O no hydrogen 2.799 N/A GLY 393.A N LEU 450.A O no hydrogen 3.089 N/A GLY 398.A N ASP 449.A O no hydrogen 2.606 N/A ARG 405.A NH1 ALA 364.A O no hydrogen 3.221 N/A ARG 407.A NH1 PRO 385.A O no hydrogen 3.266 N/A ARG 407.A NH1 HIS 469.A ND1 no hydrogen 3.064 N/A ASP 408.A N ALA 404.A O no hydrogen 3.069 N/A ALA 409.A N ARG 405.A O no hydrogen 2.883 N/A THR 410.A N LEU 406.A O no hydrogen 2.877 N/A THR 410.A OG1 LEU 406.A O no hydrogen 2.690 N/A GLN 411.A N ARG 407.A O no hydrogen 2.878 N/A GLN 411.A NE2 GLN 376.A OE1 no hydrogen 3.119 N/A CYS 412.A N ASP 408.A O no hydrogen 2.956 N/A ALA 413.A N ALA 409.A O no hydrogen 2.851 N/A THR 414.A N THR 410.A O no hydrogen 2.866 N/A THR 414.A OG1 THR 410.A O no hydrogen 2.615 N/A PHE 415.A N GLN 411.A O no hydrogen 2.973 N/A VAL 416.A N CYS 412.A O no hydrogen 2.870 N/A VAL 417.A N ALA 413.A O no hydrogen 2.869 N/A ALA 418.A N THR 414.A O no hydrogen 2.882 N/A CYS 419.A N PHE 415.A O no hydrogen 2.934 N/A CYS 419.A SG CYS 122.A O no hydrogen 3.635 N/A CYS 419.A SG PHE 415.A O no hydrogen 3.287 N/A SER 420.A N VAL 416.A O no hydrogen 2.901 N/A ILE 421.A N VAL 417.A O no hydrogen 2.842 N/A LEU 422.A N ALA 418.A O no hydrogen 2.926 N/A GLN 423.A N CYS 419.A O no hydrogen 2.933 N/A GLN 423.A NE2 TYR 129.A OH no hydrogen 3.186 N/A GLN 423.A NE2 LEU 422.A O no hydrogen 3.612 N/A SER 425.A OG ILE 421.A O no hydrogen 2.334 N/A SER 430.A OG THR 427.A OG1 no hydrogen 2.924 N/A ARG 431.A N THR 427.A O no hydrogen 2.817 N/A ARG 431.A NE LEU 422.A O no hydrogen 2.913 N/A ARG 431.A NH2 TYR 129.A OH no hydrogen 2.756 N/A ASP 432.A N TYR 428.A O no hydrogen 2.772 N/A MET 433.A N ASP 429.A O no hydrogen 2.844 N/A ALA 434.A N SER 430.A O no hydrogen 3.099 N/A SER 435.A OG GLN 535.A OE1 no hydrogen 2.630 N/A MET 436.A N GLN 535.A O no hydrogen 2.941 N/A GLY 437.A N ASN 351.A O no hydrogen 2.918 N/A LEU 438.A N PHE 536.A O no hydrogen 3.028 N/A GLY 439.A N ALA 353.A O no hydrogen 3.352 N/A GLN 441.A N ILE 355.A O no hydrogen 2.975 N/A GLY 442.A N SER 552.A O no hydrogen 2.918 N/A VAL 446.A N GLY 442.A O no hydrogen 2.806 N/A PHE 447.A N LEU 443.A O no hydrogen 2.934 N/A ALA 448.A N ALA 444.A O no hydrogen 2.899 N/A ASP 449.A N ASP 445.A O no hydrogen 2.879 N/A LEU 450.A N VAL 446.A O no hydrogen 3.035 N/A GLY 451.A N ALA 448.A O no hydrogen 2.995 N/A TRP 452.A N PHE 447.A O no hydrogen 2.972 N/A GLN 453.A N ASP 456.A OD2 no hydrogen 2.628 N/A GLN 453.A NE2 LEU 575.A O no hydrogen 2.582 N/A TYR 454.A N TYR 583.A OH no hydrogen 3.386 N/A TYR 454.A OH PHE 555.A O no hydrogen 2.303 N/A ASP 456.A N GLN 453.A O no hydrogen 3.330 N/A SER 459.A OG GLN 453.A O no hydrogen 3.284 N/A SER 459.A OG TYR 454.A O no hydrogen 2.762 N/A SER 459.A OG ASP 456.A O no hydrogen 2.249 N/A ARG 460.A N ASP 456.A O no hydrogen 2.979 N/A ARG 460.A NE THR 455.A O no hydrogen 2.911 N/A ARG 460.A NH2 ASP 587.A OD1 no hydrogen 2.998 N/A SER 461.A N PRO 457.A O no hydrogen 2.937 N/A SER 461.A OG PRO 457.A O no hydrogen 3.150 N/A LEU 462.A N PRO 458.A O no hydrogen 2.893 N/A ASN 463.A N SER 459.A O no hydrogen 2.866 N/A LYS 464.A N ARG 460.A O no hydrogen 2.982 N/A GLU 465.A N SER 461.A O no hydrogen 2.921 N/A ILE 466.A N LEU 462.A O no hydrogen 2.832 N/A PHE 467.A N ASN 463.A O no hydrogen 3.032 N/A GLU 468.A N LYS 464.A O no hydrogen 2.940 N/A HIS 469.A N GLU 465.A O no hydrogen 2.903 N/A MET 470.A N ILE 466.A O no hydrogen 2.919 N/A TYR 471.A N PHE 467.A O no hydrogen 2.947 N/A TYR 471.A OH TYR 497.A OH no hydrogen 2.694 N/A TYR 471.A OH PHE 502.A O no hydrogen 3.270 N/A PHE 472.A N GLU 468.A O no hydrogen 2.925 N/A THR 473.A N HIS 469.A O no hydrogen 2.900 N/A THR 473.A OG1 HIS 469.A O no hydrogen 2.888 N/A ALA 474.A N MET 470.A O no hydrogen 2.897 N/A LEU 475.A N TYR 471.A O no hydrogen 2.919 N/A CYS 476.A N PHE 472.A O no hydrogen 2.928 N/A CYS 476.A SG ASP 378.A OD1 no hydrogen 3.228 N/A CYS 476.A SG ASP 378.A OD2 no hydrogen 3.188 N/A THR 477.A N THR 473.A O no hydrogen 2.900 N/A THR 477.A OG1 THR 473.A O no hydrogen 2.769 N/A SER 478.A N ALA 474.A O no hydrogen 2.887 N/A SER 478.A OG ASN 533.A OD1 no hydrogen 3.161 N/A SER 479.A N LEU 475.A O no hydrogen 2.894 N/A SER 479.A OG GLY 530.A O no hydrogen 3.196 N/A LEU 480.A N CYS 476.A O no hydrogen 2.941 N/A ILE 481.A N THR 477.A O no hydrogen 2.888 N/A GLY 482.A N SER 478.A O no hydrogen 2.874 N/A LEU 483.A N SER 479.A O no hydrogen 2.906 N/A HIS 484.A N LEU 480.A O no hydrogen 2.950 N/A THR 485.A OG1 ILE 481.A O no hydrogen 2.180 N/A ARG 486.A N GLY 482.A O no hydrogen 2.978 N/A PHE 489.A N LEU 531.A O no hydrogen 3.394 N/A PHE 492.A N PHE 489.A O no hydrogen 3.085 N/A SER 495.A OG PHE 492.A O no hydrogen 2.413 N/A LYS 496.A N TRP 322.A O no hydrogen 2.990 N/A LYS 496.A NZ ALA 319.A O no hydrogen 2.981 N/A LYS 496.A NZ PHE 321.A O no hydrogen 2.509 N/A LYS 496.A NZ ARG 323.A O no hydrogen 3.264 N/A TYR 497.A OH TYR 471.A OH no hydrogen 2.694 N/A GLY 499.A N LYS 496.A O no hydrogen 3.190 N/A GLY 500.A N TYR 497.A O no hydrogen 3.140 N/A PHE 502.A N HIS 505.A ND1 no hydrogen 2.974 N/A HIS 503.A ND1 PRO 597.A O no hydrogen 2.896 N/A SER 513.A N GLU 468.A OE1 no hydrogen 2.586 N/A SER 513.A OG GLU 468.A OE1 no hydrogen 3.278 N/A TRP 519.A NE1 GLU 468.A OE2 no hydrogen 3.242 N/A SER 520.A OG ARG 516.A O no hydrogen 3.091 N/A ARG 521.A N GLU 517.A O no hydrogen 3.118 N/A LEU 522.A N ILE 518.A O no hydrogen 2.914 N/A SER 523.A N TRP 519.A O no hydrogen 2.878 N/A GLU 524.A N SER 520.A O no hydrogen 2.902 N/A ARG 525.A N ARG 521.A O no hydrogen 2.934 N/A ARG 525.A NH1 ASP 378.A OD1 no hydrogen 3.253 N/A ILE 526.A N LEU 522.A O no hydrogen 2.880 N/A VAL 527.A N SER 523.A O no hydrogen 2.884 N/A ARG 528.A N GLU 524.A O no hydrogen 2.948 N/A ASP 529.A N ILE 526.A O no hydrogen 3.396 N/A GLY 530.A N ILE 526.A O no hydrogen 2.677 N/A PHE 532.A N SER 478.A O no hydrogen 2.973 N/A ASN 533.A N SER 478.A OG no hydrogen 2.607 N/A ASN 533.A ND2 ALA 434.A O no hydrogen 3.103 N/A SER 534.A N ALA 434.A O no hydrogen 3.230 N/A SER 534.A OG MET 433.A O no hydrogen 3.016 N/A GLN 535.A NE2 LEU 340.A O no hydrogen 2.348 N/A PHE 536.A N ASP 600.A OD2 no hydrogen 2.525 N/A ILE 537.A N ASP 600.A OD1 no hydrogen 2.592 N/A ALA 538.A N LEU 438.A O no hydrogen 3.430 N/A LEU 539.A N SER 602.A O no hydrogen 3.396 N/A THR 542.A OG1 GLN 441.A OE1 no hydrogen 3.193 N/A CYS 545.A SG CYS 164.A O no hydrogen 3.565 N/A GLN 547.A N GLY 544.A O no hydrogen 3.295 N/A THR 549.A N CYS 545.A O no hydrogen 2.928 N/A THR 549.A OG1 CYS 545.A O no hydrogen 2.609 N/A GLY 550.A N ALA 546.A O no hydrogen 3.048 N/A CYS 551.A N THR 549.A OG1 no hydrogen 3.405 N/A CYS 551.A SG THR 549.A OG1 no hydrogen 3.309 N/A TYR 556.A OH SER 604.A O no hydrogen 2.530 N/A TYR 559.A OH ASP 553.A OD2 no hydrogen 2.850 N/A SER 564.A OG ASP 582.A OD1 no hydrogen 2.669 N/A SER 564.A OG ASP 582.A OD2 no hydrogen 2.990 N/A ARG 571.A N GLU 568.A O no hydrogen 3.286 N/A GLN 572.A NE2 GLU 568.A OE2 no hydrogen 3.509 N/A LEU 575.A N GLN 572.A O no hydrogen 3.299 N/A PHE 577.A N TYR 574.A O no hydrogen 3.181 N/A GLN 578.A N LEU 575.A O no hydrogen 3.123 N/A THR 579.A N ASP 582.A OD2 no hydrogen 2.829 N/A THR 579.A OG1 ASP 582.A OD2 no hydrogen 2.712 N/A ALA 580.A N PHE 558.A O no hydrogen 2.837 N/A ASP 582.A N THR 579.A O no hydrogen 2.949 N/A GLN 585.A NE2 ALA 580.A O no hydrogen 3.271 N/A LEU 588.A N ASN 584.A O no hydrogen 3.252 N/A ILE 589.A N GLN 585.A O no hydrogen 2.909 N/A GLN 590.A N GLU 586.A O no hydrogen 2.881 N/A GLN 590.A NE2 ASP 594.A OD1 no hydrogen 3.391 N/A MET 591.A N ASP 587.A O no hydrogen 2.918 N/A SER 592.A N LEU 588.A O no hydrogen 2.902 N/A SER 592.A OG GLN 603.A OE1 no hydrogen 3.018 N/A ARG 593.A N ILE 589.A O no hydrogen 2.902 N/A ARG 593.A NH1 ARG 593.A O no hydrogen 3.323 N/A ASP 594.A N GLN 590.A O no hydrogen 2.862 N/A ARG 595.A N MET 591.A O no hydrogen 2.958 N/A ARG 595.A NE ASN 463.A OD1 no hydrogen 3.436 N/A ARG 595.A NH1 GLN 603.A OE1 no hydrogen 3.364 N/A ALA 596.A N ARG 593.A O no hydrogen 3.223 N/A PHE 598.A N ARG 595.A O no hydrogen 3.373 N/A VAL 599.A N ALA 596.A O no hydrogen 2.948 N/A GLN 601.A N ILE 537.A O no hydrogen 3.100 N/A SER 602.A OG GLN 603.A O no hydrogen 3.430 N/A SER 602.A OG THR 634.A OG1 no hydrogen 2.205 N/A GLN 603.A NE2 SER 592.A O no hydrogen 3.046 N/A SER 604.A OG CYS 336.A O no hydrogen 3.290 N/A SER 604.A OG LEU 539.A O no hydrogen 2.648 N/A SER 606.A OG TYR 638.A O no hydrogen 2.434 N/A LEU 609.A N ARG 640.A O no hydrogen 2.830 N/A ALA 614.A N ARG 610.A O no hydrogen 3.222 N/A ARG 616.A N ASP 613.A O no hydrogen 3.207 N/A ALA 617.A N ALA 614.A O no hydrogen 3.231 N/A THR 619.A OG1 ASP 613.A O no hydrogen 2.690 N/A ASN 622.A N SER 618.A O no hydrogen 3.158 N/A LEU 623.A N THR 619.A O no hydrogen 2.898 N/A LEU 624.A N LEU 620.A O no hydrogen 2.900 N/A VAL 625.A N ALA 621.A O no hydrogen 2.920 N/A ARG 626.A N ASN 622.A O no hydrogen 2.889 N/A SER 627.A N LEU 623.A O no hydrogen 2.900 N/A SER 627.A OG LEU 623.A O no hydrogen 2.787 N/A TYR 628.A N LEU 624.A O no hydrogen 2.909 N/A TYR 628.A OH GLU 240.A OE2 no hydrogen 3.213 N/A GLU 629.A N VAL 625.A O no hydrogen 2.894 N/A LEU 630.A N ARG 626.A O no hydrogen 3.103 N/A GLY 631.A N TYR 628.A O no hydrogen 2.885 N/A LEU 632.A N SER 627.A O no hydrogen 3.241 N/A LYS 633.A NZ HIS 503.A NE2 no hydrogen 2.911 N/A LYS 633.A NZ ASP 600.A O no hydrogen 2.336 N/A THR 634.A OG1 ALA 337.A O no hydrogen 2.694 N/A THR 634.A OG1 SER 602.A OG no hydrogen 2.205 N/A THR 634.A OG1 GLN 603.A O no hydrogen 2.935 N/A ILE 635.A N ILE 311.A O no hydrogen 2.753 N/A MET 636.A N ILE 311.A O no hydrogen 3.124 N/A TYR 637.A N HIS 605.A O no hydrogen 2.535 N/A ARG 640.A N LEU 607.A O no hydrogen 2.799 N/A ARG 640.A NH2 TYR 559.A OH no hydrogen 3.396 N/A GLU 642.A N LEU 609.A O no hydrogen 3.358 N/A