Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vr8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 446.A OD2 no hydrogen 3.306 N/A TYR 3.A OH ASP 446.A OD2 no hydrogen 2.567 N/A ILE 6.A N ILE 192.A O no hydrogen 2.613 N/A HIS 8.A N ARG 194.A O no hydrogen 3.017 N/A HIS 8.A NE2 HIS 193.A ND1 no hydrogen 2.893 N/A TYR 10.A N ARG 196.A O no hydrogen 2.823 N/A TYR 10.A OH THR 162.A OG1 no hydrogen 3.120 N/A ASP 11.A N LYS 34.A O no hydrogen 2.916 N/A VAL 13.A N ARG 199.A O no hydrogen 2.792 N/A ILE 14.A N ALA 36.A O no hydrogen 2.861 N/A ILE 15.A N ILE 201.A O no hydrogen 2.783 N/A GLY 16.A N VAL 38.A O no hydrogen 2.730 N/A GLY 19.A N THR 48.A OG1 no hydrogen 3.146 N/A LEU 22.A N GLY 18.A O no hydrogen 3.090 N/A ARG 23.A N GLY 19.A O no hydrogen 3.298 N/A ARG 23.A N ALA 20.A O no hydrogen 2.672 N/A ARG 23.A NH1 GLU 100.A OE2 no hydrogen 2.496 N/A ARG 23.A NH2 ARG 23.A O no hydrogen 3.260 N/A ALA 24.A N ALA 20.A O no hydrogen 3.021 N/A ALA 25.A N GLY 21.A O no hydrogen 2.865 N/A MET 26.A N LEU 22.A O no hydrogen 3.073 N/A GLY 27.A N ARG 23.A O no hydrogen 2.953 N/A LEU 28.A N ALA 24.A O no hydrogen 3.010 N/A GLY 29.A N ALA 25.A O no hydrogen 3.020 N/A GLU 30.A N MET 26.A O no hydrogen 2.903 N/A ALA 31.A N GLY 27.A O no hydrogen 3.116 N/A GLY 32.A N GLY 29.A O no hydrogen 2.718 N/A PHE 33.A N LEU 28.A O no hydrogen 3.078 N/A LYS 34.A N ASP 11.A OD1 no hydrogen 2.934 N/A LYS 34.A NZ ALA 9.A O no hydrogen 3.180 N/A THR 35.A OG1 PHE 33.A O no hydrogen 3.214 N/A ALA 36.A N VAL 12.A O no hydrogen 3.042 N/A VAL 37.A N THR 162.A O no hydrogen 3.013 N/A VAL 38.A N ILE 14.A O no hydrogen 2.799 N/A THR 39.A OG1 MET 41.A O no hydrogen 2.714 N/A LYS 40.A NZ MET 219.A O no hydrogen 3.565 N/A LYS 40.A NZ ASP 223.A OD2 no hydrogen 2.852 N/A LYS 40.A NZ GLU 516.A OE1 no hydrogen 2.719 N/A MET 41.A N THR 39.A OG1 no hydrogen 3.356 N/A ARG 45.A N PHE 42.A O no hydrogen 2.781 N/A SER 46.A N PRO 43.A O no hydrogen 3.042 N/A THR 49.A N SER 46.A O no hydrogen 2.962 N/A ALA 50.A N HIS 47.A O no hydrogen 2.665 N/A ALA 51.A N THR 48.A O no hydrogen 2.975 N/A GLN 52.A NE2 LEU 254.A O no hydrogen 3.116 N/A ILE 55.A N CYS 138.A O no hydrogen 2.566 N/A ASN 56.A N ALA 403.A O no hydrogen 2.971 N/A ALA 57.A N ARG 136.A O no hydrogen 2.999 N/A LEU 59.A N ALA 57.A O no hydrogen 2.728 N/A LYS 68.A N ASP 66.A OD2 no hydrogen 2.816 N/A TRP 69.A N ASP 66.A O no hydrogen 3.003 N/A HIS 70.A N TRP 67.A O no hydrogen 3.274 N/A PHE 71.A N TRP 67.A O no hydrogen 3.242 N/A TYR 72.A N LYS 68.A O no hydrogen 2.930 N/A ASP 73.A N TRP 69.A O no hydrogen 2.752 N/A THR 74.A N HIS 70.A O no hydrogen 2.729 N/A THR 74.A OG1 HIS 70.A O no hydrogen 2.739 N/A THR 74.A OG1 ASN 404.A OD1 no hydrogen 3.266 N/A ALA 75.A N PHE 71.A O no hydrogen 2.819 N/A LYS 76.A N TYR 72.A O no hydrogen 3.008 N/A LYS 76.A NZ SER 612.A O no hydrogen 3.190 N/A GLY 77.A N ASP 73.A O no hydrogen 3.210 N/A SER 78.A N THR 74.A O no hydrogen 3.192 N/A SER 78.A OG THR 74.A O no hydrogen 3.454 N/A SER 78.A OG ALA 75.A O no hydrogen 2.311 N/A ASP 79.A N LYS 76.A O no hydrogen 2.622 N/A TRP 80.A NE1 ILE 606.A O no hydrogen 2.811 N/A LEU 81.A N SER 78.A O no hydrogen 2.927 N/A ASP 83.A N SER 394.A O no hydrogen 2.899 N/A GLN 84.A N ILE 594.A O no hydrogen 3.039 N/A GLN 84.A NE2 ILE 606.A O no hydrogen 2.796 N/A MET 87.A N ASP 83.A O no hydrogen 3.085 N/A TYR 89.A N ASN 85.A O no hydrogen 2.739 N/A LEU 90.A N ALA 86.A O no hydrogen 2.764 N/A THR 91.A N MET 87.A O no hydrogen 3.305 N/A THR 91.A OG1 MET 87.A O no hydrogen 2.474 N/A THR 91.A OG1 HIS 88.A O no hydrogen 3.539 N/A ARG 92.A N HIS 88.A O no hydrogen 2.994 N/A ARG 92.A NH1 GLU 602.A OE1 no hydrogen 3.514 N/A ASN 93.A N TYR 89.A O no hydrogen 3.241 N/A ALA 97.A N ASN 93.A O no hydrogen 2.962 N/A VAL 98.A N ALA 94.A O no hydrogen 2.934 N/A THR 99.A N VAL 95.A O no hydrogen 3.175 N/A THR 99.A OG1 VAL 95.A O no hydrogen 3.067 N/A GLU 100.A N GLU 96.A O no hydrogen 2.827 N/A LEU 101.A N ALA 97.A O no hydrogen 3.268 N/A GLU 102.A N VAL 98.A O no hydrogen 3.243 N/A ASN 103.A N THR 99.A O no hydrogen 2.930 N/A PHE 104.A N GLU 100.A O no hydrogen 2.593 N/A GLY 105.A N GLU 102.A O no hydrogen 3.332 N/A MET 106.A N LEU 101.A O no hydrogen 2.886 N/A PHE 108.A N MET 106.A O no hydrogen 3.058 N/A SER 109.A N CYS 139.A O no hydrogen 2.964 N/A ARG 110.A NE GLY 114.A O no hydrogen 3.382 N/A ARG 110.A NH1 GLU 102.A OE2 no hydrogen 3.509 N/A ARG 110.A NH2 GLU 102.A OE2 no hydrogen 3.121 N/A ARG 110.A NH2 GLY 114.A O no hydrogen 3.566 N/A THR 111.A N LYS 115.A O no hydrogen 2.889 N/A THR 111.A OG1 GLU 113.A OE2 no hydrogen 3.334 N/A GLY 114.A N THR 111.A O no hydrogen 2.721 N/A TYR 117.A N SER 109.A O no hydrogen 2.729 N/A TYR 117.A OH GLU 262.A OE1 no hydrogen 2.600 N/A TYR 117.A OH GLU 262.A OE2 no hydrogen 3.358 N/A ARG 119.A N THR 137.A O no hydrogen 2.771 N/A ARG 119.A NE GLU 262.A OE1 no hydrogen 2.887 N/A ARG 119.A NH1 ALA 141.A O no hydrogen 3.052 N/A ARG 119.A NH1 GLU 262.A OE1 no hydrogen 3.332 N/A ARG 119.A NH2 ALA 141.A O no hydrogen 3.243 N/A SER 120.A OG GLY 261.A O no hydrogen 3.499 N/A GLN 124.A NE2 ASN 56.A OD1 no hydrogen 3.230 N/A SER 125.A N ASP 73.A OD2 no hydrogen 2.279 N/A SER 125.A OG ASP 73.A OD1 no hydrogen 2.685 N/A SER 125.A OG ASP 73.A OD2 no hydrogen 3.305 N/A LYS 130.A N ASN 127.A O no hydrogen 2.479 N/A GLY 131.A N ASN 127.A O no hydrogen 3.381 N/A ALA 134.A N GLN 124.A O no hydrogen 3.261 N/A ARG 136.A NE GLN 124.A OE1 no hydrogen 2.912 N/A THR 137.A N ARG 119.A O no hydrogen 3.126 N/A CYS 138.A N ILE 55.A O no hydrogen 2.644 N/A CYS 138.A SG ALA 57.A O no hydrogen 3.853 N/A CYS 138.A SG GLN 118.A OE1 no hydrogen 3.741 N/A CYS 138.A SG ARG 136.A O no hydrogen 3.552 N/A CYS 139.A SG ALA 141.A O no hydrogen 3.554 N/A ALA 141.A N SER 109.A OG no hydrogen 2.973 N/A ARG 143.A N VAL 140.A O no hydrogen 2.869 N/A THR 144.A OG1 GLN 52.A O no hydrogen 3.054 N/A THR 144.A OG1 VAL 140.A O no hydrogen 3.451 N/A GLY 145.A N ALA 51.A O no hydrogen 2.839 N/A SER 147.A N ARG 143.A O no hydrogen 3.291 N/A MET 148.A N THR 144.A O no hydrogen 2.707 N/A LEU 149.A N GLY 145.A O no hydrogen 2.810 N/A HIS 150.A N HIS 146.A O no hydrogen 2.908 N/A THR 151.A N SER 147.A O no hydrogen 3.136 N/A THR 151.A OG1 SER 147.A O no hydrogen 2.707 N/A LEU 152.A N MET 148.A O no hydrogen 2.905 N/A TYR 153.A N LEU 149.A O no hydrogen 2.711 N/A GLY 154.A N HIS 150.A O no hydrogen 2.733 N/A ASN 155.A N THR 151.A O no hydrogen 2.983 N/A ASN 155.A ND2 PHE 104.A O no hydrogen 2.787 N/A ASN 155.A ND2 THR 151.A O no hydrogen 3.031 N/A SER 156.A N LEU 152.A O no hydrogen 2.932 N/A SER 156.A N TYR 153.A O no hydrogen 3.209 N/A SER 156.A OG TYR 153.A O no hydrogen 2.616 N/A LEU 157.A N GLY 154.A O no hydrogen 2.984 N/A ARG 158.A N ASN 155.A O no hydrogen 3.224 N/A CYS 159.A SG ALA 25.A O no hydrogen 4.050 N/A CYS 159.A SG SER 156.A O no hydrogen 3.215 N/A CYS 161.A SG ALA 25.A O no hydrogen 3.377 N/A CYS 161.A SG SER 156.A O no hydrogen 3.809 N/A CYS 161.A SG CYS 159.A O no hydrogen 3.331 N/A THR 162.A N THR 35.A O no hydrogen 2.943 N/A THR 162.A OG1 TYR 10.A OH no hydrogen 3.120 N/A PHE 164.A N VAL 37.A O no hydrogen 2.933 N/A TYR 167.A N THR 39.A O no hydrogen 3.144 N/A PHE 168.A N LEU 185.A O no hydrogen 2.483 N/A LEU 170.A N ILE 183.A O no hydrogen 2.745 N/A ASP 171.A N ILE 183.A O no hydrogen 3.318 N/A LEU 173.A N GLY 181.A O no hydrogen 2.678 N/A ASP 175.A N ARG 178.A O no hydrogen 2.928 N/A LYS 176.A NZ ASP 175.A OD1 no hydrogen 2.903 N/A ARG 178.A N ASP 175.A O no hydrogen 3.067 N/A CYS 179.A N PRO 382.A O no hydrogen 2.910 N/A CYS 179.A SG LEU 173.A O no hydrogen 3.975 N/A CYS 179.A SG GLY 181.A O no hydrogen 3.863 N/A CYS 179.A SG THR 200.A OG1 no hydrogen 3.074 N/A VAL 180.A N LEU 173.A O no hydrogen 2.756 N/A VAL 182.A N PHE 195.A O no hydrogen 3.041 N/A ILE 183.A N ASP 171.A O no hydrogen 2.819 N/A ALA 184.A N HIS 193.A O no hydrogen 2.948 N/A LEU 185.A N PHE 168.A O no hydrogen 2.538 N/A CYS 186.A N THR 191.A O no hydrogen 2.913 N/A CYS 186.A SG ASP 189.A OD1 no hydrogen 3.804 N/A CYS 186.A SG ASP 189.A OD2 no hydrogen 3.625 N/A CYS 186.A SG THR 191.A OG1 no hydrogen 3.730 N/A LEU 187.A N GLU 166.A O no hydrogen 3.350 N/A ASP 189.A N CYS 186.A O no hydrogen 3.293 N/A GLY 190.A N CYS 186.A O no hydrogen 3.009 N/A THR 191.A N ASP 189.A OD2 no hydrogen 3.125 N/A THR 191.A OG1 ASP 189.A OD2 no hydrogen 2.061 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 3.282 N/A ILE 192.A N LYS 4.A O no hydrogen 2.938 N/A HIS 193.A N ALA 184.A O no hydrogen 2.944 N/A HIS 193.A ND1 HIS 8.A NE2 no hydrogen 2.893 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 3.282 N/A ARG 194.A NE ALA 437.A O no hydrogen 3.185 N/A PHE 195.A N VAL 182.A O no hydrogen 2.724 N/A ARG 196.A N HIS 8.A O no hydrogen 2.864 N/A SER 197.A N VAL 180.A O no hydrogen 2.844 N/A SER 197.A OG ARG 199.A O no hydrogen 2.954 N/A LYS 198.A NZ GLU 428.A O no hydrogen 2.404 N/A ARG 199.A N ASP 11.A O no hydrogen 3.047 N/A THR 200.A N GLY 383.A O no hydrogen 2.852 N/A ILE 201.A N VAL 13.A O no hydrogen 2.700 N/A VAL 202.A N TYR 385.A O no hydrogen 2.961 N/A ALA 203.A N ILE 15.A O no hydrogen 2.805 N/A TYR 207.A OH THR 527.A OG1 no hydrogen 3.090 N/A ALA 210.A N TYR 207.A O no hydrogen 3.306 N/A TYR 211.A N GLY 208.A O no hydrogen 2.728 N/A TYR 211.A OH ALA 472.A O no hydrogen 3.325 N/A PHE 212.A N GLN 465.A O no hydrogen 2.740 N/A SER 213.A N GLN 469.A OE1 no hydrogen 2.979 N/A CYS 214.A SG THR 216.A OG1 no hydrogen 2.967 N/A THR 215.A N VAL 354.A O no hydrogen 2.967 N/A THR 215.A OG1 HIS 355.A ND1 no hydrogen 2.504 N/A THR 216.A OG1 ALA 217.A O no hydrogen 3.459 N/A ASN 220.A N ALA 217.A O no hydrogen 3.246 N/A THR 221.A OG1 ASP 223.A OD1 no hydrogen 2.797 N/A THR 221.A OG1 ASP 223.A OD2 no hydrogen 3.097 N/A GLY 222.A N GLY 206.A O no hydrogen 3.014 N/A THR 225.A OG1 GLY 222.A O no hydrogen 3.011 N/A THR 225.A OG1 ASN 523.A OD1 no hydrogen 2.544 N/A ALA 226.A N GLY 222.A O no hydrogen 3.124 N/A LEU 227.A N ASP 223.A O no hydrogen 2.874 N/A ALA 228.A N GLY 224.A O no hydrogen 2.928 N/A THR 229.A N THR 225.A O no hydrogen 2.830 N/A ARG 230.A N ALA 226.A O no hydrogen 2.870 N/A ARG 230.A NE ASP 171.A OD1 no hydrogen 3.272 N/A ARG 230.A NE ASP 171.A OD2 no hydrogen 3.515 N/A ARG 230.A NH2 LEU 170.A O no hydrogen 3.289 N/A ALA 231.A N LEU 227.A O no hydrogen 3.130 N/A ALA 231.A N ALA 228.A O no hydrogen 2.864 N/A GLY 232.A N THR 229.A O no hydrogen 2.852 N/A ILE 233.A N ALA 228.A O no hydrogen 3.032 N/A LEU 235.A N THR 577.A O no hydrogen 3.219 N/A GLU 236.A N GLY 360.A O no hydrogen 2.986 N/A ASP 237.A N THR 575.A O no hydrogen 2.993 N/A PHE 240.A N ASP 237.A O no hydrogen 2.981 N/A GLN 242.A N TYR 356.A O no hydrogen 2.946 N/A GLN 242.A NE2 ARG 400.A O no hydrogen 3.635 N/A HIS 244.A N THR 353.A O no hydrogen 2.673 N/A THR 246.A N HIS 244.A ND1 no hydrogen 3.255 N/A THR 246.A OG1 ILE 255.A O no hydrogen 2.543 N/A GLY 247.A N ILE 351.A O no hydrogen 3.105 N/A ILE 248.A N CYS 253.A O no hydrogen 2.767 N/A TYR 249.A N PRO 349.A O no hydrogen 3.159 N/A TYR 249.A OH ASP 310.A OD2 no hydrogen 2.620 N/A ILE 255.A N THR 246.A O no hydrogen 3.122 N/A GLY 258.A N THR 256.A OG1 no hydrogen 3.094 N/A SER 259.A N THR 256.A O no hydrogen 3.033 N/A SER 259.A OG THR 256.A O no hydrogen 2.655 N/A ARG 260.A N GLU 257.A O no hydrogen 3.064 N/A ARG 260.A NE ASP 284.A O no hydrogen 3.002 N/A ARG 260.A NH2 ASP 284.A O no hydrogen 3.503 N/A GLY 261.A N GLU 257.A O no hydrogen 3.072 N/A GLY 263.A N ARG 260.A O no hydrogen 2.759 N/A GLY 264.A N SER 259.A O no hydrogen 3.000 N/A PHE 265.A N GLN 315.A O no hydrogen 3.088 N/A LEU 266.A N ASP 284.A OD2 no hydrogen 2.769 N/A VAL 267.A N TYR 313.A O no hydrogen 2.847 N/A ASN 268.A N GLU 272.A O no hydrogen 3.325 N/A ASN 268.A ND2 GLU 272.A OE1 no hydrogen 2.574 N/A ASN 268.A ND2 GLU 298.A OE2 no hydrogen 2.575 N/A SER 269.A N ARG 303.A O no hydrogen 2.809 N/A SER 269.A OG GLY 304.A O no hydrogen 3.447 N/A GLU 270.A N ASN 268.A OD1 no hydrogen 3.263 N/A GLY 271.A N ASN 268.A O no hydrogen 2.723 N/A GLU 272.A N ASN 268.A OD1 no hydrogen 2.669 N/A ARG 273.A NH2 ASP 284.A OD1 no hydrogen 2.492 N/A PHE 274.A N GLU 272.A O no hydrogen 2.880 N/A GLU 276.A N ARG 273.A O no hydrogen 2.958 N/A ARG 277.A N PHE 274.A O no hydrogen 3.052 N/A ARG 277.A NH1 GLU 272.A OE1 no hydrogen 2.981 N/A ARG 277.A NH1 GLU 272.A OE2 no hydrogen 3.046 N/A ARG 277.A NH1 GLU 298.A OE1 no hydrogen 2.880 N/A ARG 277.A NH2 GLU 298.A OE1 no hydrogen 3.153 N/A TYR 278.A N PHE 274.A O no hydrogen 3.363 N/A TYR 278.A OH GLU 298.A OE1 no hydrogen 2.898 N/A ALA 279.A N MET 275.A O no hydrogen 3.019 N/A ALA 282.A N TYR 613.A O no hydrogen 2.994 N/A LYS 283.A N ALA 279.A O no hydrogen 2.738 N/A LYS 283.A NZ GLU 276.A OE1 no hydrogen 3.461 N/A LEU 285.A N ALA 282.A O no hydrogen 2.981 N/A SER 287.A OG ASP 289.A OD1 no hydrogen 2.494 N/A ARG 288.A NE GLN 242.A OE1 no hydrogen 2.725 N/A VAL 291.A N SER 287.A O no hydrogen 2.836 N/A SER 292.A N ARG 288.A O no hydrogen 2.951 N/A SER 292.A OG PHE 243.A O no hydrogen 3.043 N/A SER 292.A OG ARG 288.A O no hydrogen 2.769 N/A ARG 293.A N ASP 289.A O no hydrogen 3.424 N/A ARG 293.A NH1 GLY 539.A O no hydrogen 2.777 N/A ALA 294.A N VAL 290.A O no hydrogen 2.928 N/A GLU 295.A N VAL 291.A O no hydrogen 3.131 N/A THR 296.A N SER 292.A O no hydrogen 2.853 N/A THR 296.A OG1 SER 292.A O no hydrogen 2.761 N/A ILE 297.A N ARG 293.A O no hydrogen 2.802 N/A GLU 298.A N ALA 294.A O no hydrogen 3.348 N/A ILE 299.A N GLU 295.A O no hydrogen 3.249 N/A MET 300.A N THR 296.A O no hydrogen 3.184 N/A GLU 301.A N ILE 297.A O no hydrogen 2.894 N/A GLY 302.A N ILE 299.A O no hydrogen 2.870 N/A ARG 303.A NH1 GLU 301.A OE2 no hydrogen 3.070 N/A ARG 303.A NH2 GLU 298.A OE1 no hydrogen 3.251 N/A ARG 303.A NH2 GLU 301.A OE2 no hydrogen 2.587 N/A VAL 305.A N HIS 311.A O no hydrogen 2.608 N/A ASP 310.A N VAL 305.A O no hydrogen 2.944 N/A HIS 311.A N VAL 305.A O no hydrogen 3.356 N/A HIS 311.A ND1 ASP 310.A OD1 no hydrogen 3.035 N/A ILE 312.A N VAL 350.A O no hydrogen 2.943 N/A TYR 313.A N VAL 267.A O no hydrogen 3.134 N/A LEU 314.A N ILE 348.A O no hydrogen 2.846 N/A GLN 315.A N PHE 265.A O no hydrogen 2.795 N/A GLN 315.A NE2 HIS 318.A ND1 no hydrogen 3.267 N/A HIS 318.A NE2 GLY 263.A O no hydrogen 3.252 N/A LEU 319.A N LEU 316.A O no hydrogen 2.776 N/A LEU 324.A N PRO 320.A O no hydrogen 3.146 N/A HIS 325.A N ALA 321.A O no hydrogen 3.214 N/A GLN 326.A N GLU 322.A O no hydrogen 2.814 N/A ARG 327.A N GLN 323.A O no hydrogen 2.708 N/A LEU 328.A N LEU 324.A O no hydrogen 3.011 N/A ILE 331.A N ASP 142.A OD2 no hydrogen 2.659 N/A SER 332.A N LEU 328.A O no hydrogen 3.390 N/A SER 332.A OG LEU 328.A O no hydrogen 2.953 N/A GLU 333.A N PRO 329.A O no hydrogen 3.356 N/A THR 334.A N GLY 330.A O no hydrogen 3.322 N/A THR 334.A OG1 GLY 330.A O no hydrogen 2.817 N/A ALA 335.A N ILE 331.A O no hydrogen 2.691 N/A LYS 336.A N SER 332.A O no hydrogen 3.386 N/A LYS 336.A NZ GLU 333.A OE2 no hydrogen 3.398 N/A ILE 337.A N GLU 333.A O no hydrogen 3.137 N/A PHE 338.A N THR 334.A O no hydrogen 3.262 N/A ALA 339.A N ALA 335.A O no hydrogen 2.903 N/A VAL 341.A N ALA 335.A O no hydrogen 3.330 N/A ASP 342.A N GLU 346.A OE2 no hydrogen 3.280 N/A THR 344.A N ASP 342.A OD1 no hydrogen 2.843 N/A THR 344.A OG1 ASP 342.A OD1 no hydrogen 2.413 N/A LYS 345.A N ASP 342.A O no hydrogen 3.033 N/A LYS 345.A NZ GLU 346.A OE1 no hydrogen 3.304 N/A GLU 346.A N ASP 342.A O no hydrogen 2.952 N/A ILE 348.A N LEU 314.A O no hydrogen 2.749 N/A VAL 350.A N ILE 312.A O no hydrogen 2.945 N/A ILE 351.A N GLY 247.A O no hydrogen 2.892 N/A THR 353.A N HIS 244.A O no hydrogen 2.693 N/A THR 353.A OG1 ILE 351.A O no hydrogen 2.918 N/A HIS 355.A N GLN 242.A O no hydrogen 2.859 N/A HIS 355.A ND1 THR 215.A OG1 no hydrogen 2.504 N/A TYR 356.A N GLN 242.A O no hydrogen 3.442 N/A ASN 357.A N GLU 389.A OE2 no hydrogen 2.607 N/A GLY 360.A N GLU 236.A O no hydrogen 3.181 N/A ILE 361.A N CYS 390.A O no hydrogen 2.867 N/A THR 363.A N CYS 392.A O no hydrogen 3.266 N/A THR 363.A OG1 ASN 364.A O no hydrogen 3.157 N/A THR 363.A OG1 HIS 393.A ND1 no hydrogen 2.597 N/A ASN 364.A N GLN 368.A O no hydrogen 3.265 N/A ASN 364.A ND2 GLN 368.A OE1 no hydrogen 2.776 N/A LYS 366.A N ASN 364.A OD1 no hydrogen 3.061 N/A ALA 367.A N ASN 364.A O no hydrogen 2.796 N/A GLN 368.A N ASN 364.A OD1 no hydrogen 2.948 N/A GLN 368.A NE2 TYR 385.A OH no hydrogen 3.037 N/A VAL 369.A N LEU 384.A O no hydrogen 3.308 N/A ILE 370.A N PRO 362.A O no hydrogen 3.228 N/A LYS 371.A N LYS 379.A O no hydrogen 3.105 N/A LYS 371.A NZ GLY 232.A O no hydrogen 2.496 N/A THR 373.A N GLY 377.A O no hydrogen 3.237 N/A THR 373.A OG1 GLY 377.A O no hydrogen 3.539 N/A GLY 376.A N THR 373.A OG1 no hydrogen 3.294 N/A VAL 381.A N VAL 369.A O no hydrogen 2.849 N/A LEU 384.A N VAL 381.A O no hydrogen 3.209 N/A TYR 385.A N THR 200.A O no hydrogen 3.081 N/A TYR 385.A OH GLU 423.A OE1 no hydrogen 2.679 N/A ALA 386.A N ALA 367.A O no hydrogen 3.179 N/A CYS 387.A N VAL 202.A O no hydrogen 3.108 N/A CYS 390.A SG VAL 202.A O no hydrogen 3.053 N/A CYS 390.A SG CYS 387.A O no hydrogen 3.390 N/A ALA 391.A N GLY 388.A O no hydrogen 3.169 N/A CYS 392.A N ILE 361.A O no hydrogen 2.601 N/A CYS 392.A SG MET 358.A O no hydrogen 3.980 N/A HIS 393.A ND1 THR 363.A OG1 no hydrogen 2.597 N/A ALA 398.A N SER 78.A O no hydrogen 3.163 N/A ASN 399.A N HIS 396.A O no hydrogen 2.860 N/A ARG 400.A NE LEU 401.A O no hydrogen 3.096 N/A ASN 404.A N LEU 401.A O no hydrogen 3.078 N/A ASN 404.A ND2 ASN 56.A OD1 no hydrogen 2.684 N/A ASN 404.A ND2 HIS 70.A NE2 no hydrogen 2.977 N/A SER 405.A OG TYR 356.A OH no hydrogen 3.131 N/A SER 405.A OG ASP 408.A OD2 no hydrogen 3.056 N/A ASP 408.A N ASN 404.A O no hydrogen 2.960 N/A ALA 409.A N SER 405.A O no hydrogen 2.991 N/A VAL 410.A N LEU 406.A O no hydrogen 3.336 N/A VAL 411.A N LEU 407.A O no hydrogen 2.618 N/A GLY 413.A N ALA 409.A O no hydrogen 2.838 N/A ARG 414.A N VAL 410.A O no hydrogen 3.112 N/A ARG 414.A NH1 GLU 100.A OE1 no hydrogen 2.500 N/A ALA 415.A N VAL 411.A O no hydrogen 2.679 N/A CYS 416.A N GLY 413.A O no hydrogen 2.644 N/A CYS 416.A SG PHE 412.A O no hydrogen 3.329 N/A SER 417.A N GLY 413.A O no hydrogen 3.391 N/A SER 417.A OG ARG 414.A O no hydrogen 3.041 N/A ILE 418.A N ARG 414.A O no hydrogen 3.096 N/A ASN 419.A N ALA 415.A O no hydrogen 3.419 N/A ILE 420.A N CYS 416.A O no hydrogen 2.773 N/A LYS 421.A N SER 417.A O no hydrogen 2.829 N/A LYS 421.A NZ ALA 31.A O no hydrogen 3.512 N/A GLU 422.A N ILE 418.A O no hydrogen 3.188 N/A LEU 424.A N ILE 420.A O no hydrogen 2.727 N/A ALA 437.A N PRO 434.A O no hydrogen 3.206 N/A GLU 439.A N GLY 436.A O no hydrogen 2.970 N/A SER 441.A OG ASP 171.A OD2 no hydrogen 2.623 N/A ALA 443.A N GLU 439.A O no hydrogen 3.007 N/A ASN 444.A N GLU 440.A O no hydrogen 3.253 N/A LEU 445.A N SER 441.A O no hydrogen 3.381 N/A ASP 446.A N ILE 442.A O no hydrogen 2.986 N/A ALA 447.A N ALA 443.A O no hydrogen 3.421 N/A VAL 448.A N ASN 444.A O no hydrogen 2.656 N/A ARG 449.A N LEU 445.A O no hydrogen 2.603 N/A ARG 449.A NE ARG 503.A O no hydrogen 2.868 N/A ARG 449.A NH1 TYR 3.A OH no hydrogen 2.968 N/A ARG 449.A NH2 ARG 503.A O no hydrogen 3.102 N/A TYR 450.A N ASP 446.A O no hydrogen 2.968 N/A ASP 454.A N ARG 497.A O no hydrogen 3.175 N/A VAL 455.A N ARG 497.A O no hydrogen 2.697 N/A THR 457.A N LYS 499.A O no hydrogen 3.350 N/A THR 457.A OG1 SER 514.A OG no hydrogen 2.772 N/A GLU 459.A N PRO 456.A O no hydrogen 2.688 N/A LEU 460.A N PRO 456.A O no hydrogen 3.390 N/A ARG 461.A N THR 457.A O no hydrogen 3.262 N/A THR 463.A N GLU 459.A O no hydrogen 3.129 N/A THR 463.A OG1 LEU 460.A O no hydrogen 3.279 N/A MET 464.A N LEU 460.A O no hydrogen 3.017 N/A GLN 465.A N ARG 461.A O no hydrogen 2.835 N/A LYS 466.A N LEU 462.A O no hydrogen 2.694 N/A THR 467.A N THR 463.A O no hydrogen 2.869 N/A THR 467.A OG1 THR 463.A O no hydrogen 2.599 N/A MET 468.A N MET 464.A O no hydrogen 3.154 N/A GLN 469.A N GLN 465.A O no hydrogen 3.334 N/A LYS 470.A N THR 467.A O no hydrogen 2.689 N/A HIS 471.A N THR 467.A O no hydrogen 3.152 N/A ALA 472.A N MET 468.A O no hydrogen 3.046 N/A ARG 476.A N ALA 542.A O no hydrogen 2.683 N/A ARG 476.A NH2 ALA 472.A O no hydrogen 3.446 N/A ARG 477.A NH1 ASP 479.A OD1 no hydrogen 2.803 N/A ARG 477.A NH1 ASP 479.A OD2 no hydrogen 2.791 N/A GLY 478.A N ASP 545.A OD1 no hydrogen 3.058 N/A ILE 480.A N ARG 477.A O no hydrogen 3.162 N/A LEU 481.A N ARG 477.A O no hydrogen 2.802 N/A ALA 482.A N GLY 478.A O no hydrogen 2.928 N/A GLY 484.A N ILE 480.A O no hydrogen 2.695 N/A VAL 485.A N LEU 481.A O no hydrogen 2.705 N/A LYS 486.A N GLU 483.A O no hydrogen 2.996 N/A LYS 487.A N GLU 483.A O no hydrogen 3.326 N/A MET 488.A N GLY 484.A O no hydrogen 3.022 N/A MET 489.A N VAL 485.A O no hydrogen 3.340 N/A ASP 490.A N LYS 486.A O no hydrogen 3.156 N/A ASP 490.A N LYS 487.A O no hydrogen 2.946 N/A LEU 491.A N LYS 487.A O no hydrogen 2.976 N/A SER 492.A N MET 488.A O no hydrogen 3.171 N/A LYS 493.A N ASP 490.A O no hydrogen 2.937 N/A GLU 494.A N ASP 490.A O no hydrogen 3.067 N/A LEU 495.A N LEU 491.A O no hydrogen 3.259 N/A LYS 496.A N LYS 493.A O no hydrogen 2.940 N/A ARG 497.A N GLU 494.A O no hydrogen 2.809 N/A ARG 497.A NE ASP 454.A OD2 no hydrogen 3.177 N/A ARG 497.A NH2 ASP 454.A OD1 no hydrogen 3.261 N/A LYS 499.A N VAL 455.A O no hydrogen 2.728 N/A THR 500.A N ALA 451.A O no hydrogen 2.891 N/A THR 500.A OG1 VAL 448.A O no hydrogen 3.137 N/A THR 500.A OG1 ARG 449.A O no hydrogen 3.080 N/A THR 500.A OG1 ALA 451.A O no hydrogen 3.544 N/A THR 501.A N ASP 510.A OD2 no hydrogen 2.856 N/A ASP 502.A N ASP 510.A OD2 no hydrogen 3.263 N/A ARG 503.A NE ARG 449.A O no hydrogen 3.277 N/A SER 504.A N ASP 502.A OD2 no hydrogen 3.098 N/A SER 504.A OG ASP 502.A OD2 no hydrogen 2.759 N/A TRP 507.A N LEU 187.A O no hydrogen 2.606 N/A ASN 508.A ND2 ASP 502.A O no hydrogen 2.751 N/A ASN 508.A ND2 SER 504.A O no hydrogen 2.819 N/A SER 509.A OG GLU 513.A OE1 no hydrogen 2.956 N/A LEU 511.A N ASN 508.A OD1 no hydrogen 2.789 N/A THR 512.A N ASN 508.A O no hydrogen 2.984 N/A THR 512.A OG1 ASN 508.A O no hydrogen 3.383 N/A THR 512.A OG1 SER 509.A O no hydrogen 3.324 N/A GLU 513.A N SER 509.A O no hydrogen 2.962 N/A SER 514.A N ASP 510.A O no hydrogen 3.063 N/A SER 514.A OG THR 457.A OG1 no hydrogen 2.772 N/A SER 514.A OG ASP 510.A O no hydrogen 3.338 N/A LEU 515.A N LEU 511.A O no hydrogen 2.937 N/A GLU 516.A N THR 512.A O no hydrogen 2.826 N/A LEU 517.A N GLU 513.A O no hydrogen 2.878 N/A GLN 518.A N SER 514.A O no hydrogen 3.130 N/A GLN 518.A N LEU 515.A O no hydrogen 3.123 N/A ASN 519.A N LEU 515.A O no hydrogen 3.012 N/A LEU 520.A N GLU 516.A O no hydrogen 2.716 N/A MET 521.A N LEU 517.A O no hydrogen 3.152 N/A LEU 522.A N GLN 518.A O no hydrogen 3.471 N/A ASN 523.A N ASN 519.A O no hydrogen 3.208 N/A ASN 523.A ND2 GLY 222.A O no hydrogen 2.728 N/A ASN 523.A ND2 ASN 519.A O no hydrogen 2.758 N/A ALA 524.A N LEU 520.A O no hydrogen 2.819 N/A ALA 524.A N MET 521.A O no hydrogen 2.918 N/A THR 525.A N MET 521.A O no hydrogen 2.706 N/A THR 525.A OG1 MET 521.A O no hydrogen 2.872 N/A THR 525.A OG1 LEU 522.A O no hydrogen 3.221 N/A GLN 526.A N LEU 522.A O no hydrogen 3.396 N/A GLN 526.A NE2 THR 229.A OG1 no hydrogen 2.720 N/A GLN 526.A NE2 GLN 579.A OE1 no hydrogen 3.174 N/A THR 527.A N ASN 523.A O no hydrogen 3.271 N/A THR 527.A OG1 TYR 207.A OH no hydrogen 3.090 N/A THR 527.A OG1 ASN 523.A O no hydrogen 2.287 N/A ILE 528.A N ALA 524.A O no hydrogen 2.944 N/A VAL 529.A N THR 525.A O no hydrogen 3.071 N/A ALA 530.A N GLN 526.A O no hydrogen 3.057 N/A ALA 531.A N THR 527.A O no hydrogen 2.818 N/A GLU 532.A N ILE 528.A O no hydrogen 2.979 N/A ASN 533.A N VAL 529.A O no hydrogen 3.057 N/A ASN 533.A ND2 TYR 590.A OH no hydrogen 2.963 N/A ARG 534.A N ALA 530.A O no hydrogen 3.326 N/A ARG 534.A NH1 GLU 536.A OE2 no hydrogen 3.033 N/A ARG 534.A NH1 TRP 571.A O no hydrogen 3.254 N/A ARG 534.A NH2 GLU 239.A OE1 no hydrogen 3.188 N/A ARG 534.A NH2 LYS 573.A O no hydrogen 2.677 N/A ARG 534.A NH2 THR 575.A OG1 no hydrogen 2.556 N/A LYS 535.A NZ ASN 533.A OD1 no hydrogen 3.512 N/A SER 537.A N LYS 548.A O no hydrogen 2.875 N/A SER 537.A OG ARG 543.A O no hydrogen 2.702 N/A SER 537.A OG PHE 546.A O no hydrogen 3.029 N/A ARG 538.A N HIS 541.A O no hydrogen 3.017 N/A ARG 538.A NE GLU 536.A OE2 no hydrogen 2.627 N/A ARG 538.A NH1 ASP 79.A O no hydrogen 3.239 N/A ARG 538.A NH1 ASP 551.A OD1 no hydrogen 3.214 N/A GLY 539.A N ASP 79.A OD1 no hydrogen 2.647 N/A ALA 540.A N ALA 398.A O no hydrogen 2.962 N/A HIS 541.A N ARG 538.A O no hydrogen 3.097 N/A HIS 541.A NE2 ALA 531.A O no hydrogen 2.821 N/A ARG 543.A NE ASP 545.A OD2 no hydrogen 2.864 N/A ARG 543.A NH1 ASP 545.A OD1 no hydrogen 2.953 N/A ARG 543.A NH2 ARG 534.A O no hydrogen 2.627 N/A ASP 544.A N ARG 476.A O no hydrogen 2.844 N/A ARG 549.A NE ASP 551.A OD1 no hydrogen 2.729 N/A ARG 549.A NH1 ASP 79.A OD2 no hydrogen 3.337 N/A ARG 549.A NH1 ILE 609.A O no hydrogen 2.598 N/A ARG 549.A NH2 ASP 551.A OD1 no hydrogen 3.199 N/A ARG 549.A NH2 ILE 609.A O no hydrogen 2.939 N/A GLU 550.A N GLU 536.A OE1 no hydrogen 3.131 N/A GLU 552.A N GLU 552.A OE2 no hydrogen 2.538 N/A TYR 553.A N GLU 552.A OE2 no hydrogen 3.384 N/A TYR 555.A OH GLU 552.A OE1 no hydrogen 2.918 N/A SER 556.A N ASP 554.A OD1 no hydrogen 2.995 N/A SER 556.A OG ASP 554.A OD1 no hydrogen 2.548 N/A LYS 557.A N ASP 554.A O no hydrogen 3.348 N/A ARG 565.A N GLU 552.A O no hydrogen 2.859 N/A ARG 565.A NE ASP 551.A O no hydrogen 3.428 N/A ARG 565.A NH2 GLU 550.A OE2 no hydrogen 3.102 N/A ARG 565.A NH2 ASP 551.A O no hydrogen 3.501 N/A LYS 569.A N PRO 566.A O no hydrogen 2.896 N/A TRP 571.A N GLU 550.A O no hydrogen 2.761 N/A ARG 572.A NE TRP 80.A O no hydrogen 3.077 N/A ARG 572.A NH2 ASP 595.A OD2 no hydrogen 2.659 N/A LYS 573.A N TRP 571.A O no hydrogen 2.515 N/A HIS 574.A N ARG 591.A O no hydrogen 2.978 N/A HIS 574.A ND1 ASP 237.A OD1 no hydrogen 3.299 N/A HIS 574.A NE2 ASP 83.A OD1 no hydrogen 2.998 N/A THR 575.A N ASP 237.A OD2 no hydrogen 2.951 N/A THR 575.A OG1 GLU 239.A OE1 no hydrogen 2.832 N/A THR 575.A OG1 GLU 239.A OE2 no hydrogen 3.282 N/A LEU 576.A N ASP 589.A O no hydrogen 3.046 N/A THR 577.A N LEU 235.A O no hydrogen 2.928 N/A THR 577.A OG1 LEU 235.A O no hydrogen 3.238 N/A THR 577.A OG1 GLN 526.A OE1 no hydrogen 3.259 N/A LYS 578.A N THR 587.A O no hydrogen 3.322 N/A LYS 578.A NZ GLY 232.A O no hydrogen 2.996 N/A GLN 579.A NE2 THR 525.A OG1 no hydrogen 2.796 N/A GLN 579.A NE2 GLY 584.A O no hydrogen 3.519 N/A ASP 580.A N HIS 585.A O no hydrogen 3.215 N/A GLY 584.A N ASP 580.A O no hydrogen 2.623 N/A THR 587.A N LYS 578.A O no hydrogen 3.127 N/A TYR 590.A N ASP 589.A OD1 no hydrogen 2.604 N/A ARG 591.A N HIS 574.A O no hydrogen 3.171 N/A ARG 591.A NE ASP 378.A OD1 no hydrogen 3.367 N/A ARG 591.A NH2 ASP 378.A OD1 no hydrogen 3.464 N/A ILE 594.A N ASP 83.A OD1 no hydrogen 2.864 N/A THR 597.A OG1 VAL 603.A O no hydrogen 2.745 N/A GLU 602.A N ASP 599.A O no hydrogen 2.691 N/A VAL 603.A N ASP 599.A O no hydrogen 3.007 N/A ILE 606.A N GLN 84.A OE1 no hydrogen 2.699 N/A ARG 611.A NH1 ASP 289.A OD1 no hydrogen 3.470 N/A ARG 611.A NH1 ASP 289.A OD2 no hydrogen 2.531 N/A ARG 611.A NH2 ASP 289.A OD1 no hydrogen 2.702 N/A