Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bs9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 80.A OE1 no hydrogen 2.942 N/A LEU 4.A N TYR 47.A O no hydrogen 3.475 N/A GLN 5.A N THR 79.A O no hydrogen 3.108 N/A GLN 5.A NE2 ILE 6.A O no hydrogen 3.478 N/A ILE 6.A N LEU 43.A O no hydrogen 3.021 N/A LYS 7.A N TYR 77.A O no hydrogen 3.230 N/A LYS 7.A NZ GLY 76.A O no hydrogen 2.921 N/A HIS 9.A ND1 SER 94.A OG no hydrogen 2.886 N/A PHE 10.A N LYS 7.A O no hydrogen 2.994 N/A HIS 11.A N LEU 23.A O no hydrogen 2.692 N/A HIS 11.A NE2 GLU 13.A OE1 no hydrogen 2.657 N/A GLU 13.A N TYR 21.A O no hydrogen 2.960 N/A ILE 15.A N GLN 19.A O no hydrogen 2.924 N/A GLN 19.A N ILE 15.A O no hydrogen 3.236 N/A VAL 20.A N LEU 31.A O no hydrogen 3.009 N/A TYR 21.A N GLU 13.A O no hydrogen 2.903 N/A LEU 22.A N HIS 29.A O no hydrogen 2.743 N/A LEU 23.A N HIS 11.A O no hydrogen 2.958 N/A GLY 24.A N ASN 28.A OD1 no hydrogen 3.195 N/A GLY 27.A N GLY 24.A O no hydrogen 3.095 N/A HIS 29.A N LEU 22.A O no hydrogen 2.935 N/A LEU 31.A N VAL 20.A O no hydrogen 2.764 N/A GLY 33.A N LYS 18.A O no hydrogen 2.893 N/A GLN 34.A N GLN 34.A OE1 no hydrogen 2.746 N/A CYS 37.A N GLY 33.A O no hydrogen 3.436 N/A CYS 37.A SG GLU 16.A O no hydrogen 2.901 N/A CYS 37.A SG PRO 17.A O no hydrogen 3.780 N/A CYS 37.A SG GLN 19.A O no hydrogen 3.349 N/A CYS 37.A SG GLY 33.A O no hydrogen 3.676 N/A GLN 38.A N GLN 34.A O no hydrogen 3.249 N/A GLN 38.A N LEU 35.A O no hydrogen 3.007 N/A GLN 38.A NE2 GLN 34.A O no hydrogen 3.120 N/A ILE 39.A N LEU 35.A O no hydrogen 3.066 N/A LEU 40.A N TYR 36.A O no hydrogen 3.063 N/A PHE 42.A N ILE 39.A O no hydrogen 2.726 N/A LEU 43.A N LEU 40.A O no hydrogen 3.100 N/A GLU 46.A N ASN 44.A OD1 no hydrogen 3.147 N/A THR 48.A N GLN 51.A OE1 no hydrogen 3.491 N/A ARG 49.A NE ASP 66.A OD1 no hydrogen 2.952 N/A ARG 49.A NH2 GLU 62.A OE2 no hydrogen 2.765 N/A ARG 49.A NH2 ASP 66.A OD1 no hydrogen 2.866 N/A ARG 49.A NH2 ASP 66.A OD2 no hydrogen 3.069 N/A GLN 51.A N THR 48.A O no hydrogen 2.734 N/A ILE 52.A N THR 48.A O no hydrogen 2.923 N/A VAL 53.A N ARG 49.A O no hydrogen 3.446 N/A LEU 56.A N ILE 52.A O no hydrogen 3.244 N/A ASP 57.A N GLU 54.A O no hydrogen 3.216 N/A GLN 59.A N LEU 56.A O no hydrogen 3.129 N/A VAL 60.A N LEU 56.A O no hydrogen 2.990 N/A TYR 64.A N PRO 61.A O no hydrogen 3.042 N/A ILE 65.A N PRO 61.A O no hydrogen 3.276 N/A ASP 66.A N GLU 62.A O no hydrogen 2.885 N/A PHE 67.A N GLU 63.A O no hydrogen 3.070 N/A VAL 68.A N TYR 64.A O no hydrogen 2.882 N/A LEU 69.A N ILE 65.A O no hydrogen 2.795 N/A SER 70.A N ASP 66.A O no hydrogen 2.909 N/A SER 70.A OG ASP 66.A O no hydrogen 3.540 N/A SER 70.A OG PHE 67.A O no hydrogen 2.621 N/A ARG 71.A N PHE 67.A O no hydrogen 2.907 N/A LEU 72.A N VAL 68.A O no hydrogen 3.078 N/A VAL 73.A N LEU 69.A O no hydrogen 3.204 N/A GLU 74.A N SER 70.A O no hydrogen 3.074 N/A LYS 75.A N ARG 71.A O no hydrogen 2.853 N/A GLY 76.A N VAL 73.A O no hydrogen 2.973 N/A TYR 77.A N LEU 72.A O no hydrogen 2.793 N/A TYR 77.A OH HIS 29.A ND1 no hydrogen 2.789 N/A THR 79.A N GLN 5.A O no hydrogen 2.935 N/A VAL 81.A N ALA 3.A O no hydrogen 2.959 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.615 N/A ALA 90.A N SER 86.A O no hydrogen 2.831 N/A ALA 91.A N LEU 87.A O no hydrogen 2.697 N/A PHE 92.A N VAL 89.A O no hydrogen 2.961 N/A TRP 93.A N VAL 89.A O no hydrogen 3.384 N/A SER 94.A N ALA 90.A O no hydrogen 2.884 N/A SER 94.A OG HIS 9.A ND1 no hydrogen 2.886 N/A SER 94.A OG ALA 90.A O no hydrogen 3.367 N/A SER 94.A OG ALA 91.A O no hydrogen 2.976 N/A GLU 95.A N ALA 91.A O no hydrogen 2.719 N/A LEU 96.A N PHE 92.A O no hydrogen 3.102 N/A LEU 96.A N TRP 93.A O no hydrogen 3.230 N/A GLY 97.A N SER 94.A O no hydrogen 2.820 N/A VAL 102.A N ALA 99.A O no hydrogen 3.231 N/A VAL 103.A N PRO 100.A O no hydrogen 2.920 N/A GLY 106.A N VAL 102.A O no hydrogen 3.345 N/A LEU 107.A N VAL 103.A O no hydrogen 3.080 N/A VAL 111.A N GLN 138.A O no hydrogen 2.871 N/A THR 112.A N LEU 146.A O no hydrogen 2.965 N/A THR 112.A OG1 SER 140.A O no hydrogen 2.848 N/A THR 114.A N VAL 148.A O no hydrogen 2.775 N/A THR 114.A OG1 GLN 147.A OE1 no hydrogen 2.995 N/A THR 114.A OG1 VAL 148.A O no hydrogen 3.310 N/A ALA 116.A N LEU 150.A O no hydrogen 3.108 N/A ILE 124.A N ARG 121.A O no hydrogen 3.136 N/A ASN 127.A N GLY 123.A O no hydrogen 2.758 N/A LEU 128.A N ILE 124.A O no hydrogen 3.119 N/A ALA 129.A N VAL 125.A O no hydrogen 2.710 N/A ALA 130.A N ALA 126.A O no hydrogen 2.984 N/A ALA 131.A N ASN 127.A O no hydrogen 3.063 N/A LEU 132.A N LEU 128.A O no hydrogen 3.041 N/A GLU 133.A N ALA 129.A O no hydrogen 3.078 N/A GLU 134.A N ALA 130.A O no hydrogen 2.840 N/A ALA 135.A N ALA 131.A O no hydrogen 2.952 N/A GLY 136.A N GLU 133.A O no hydrogen 2.760 N/A ILE 137.A N LEU 132.A O no hydrogen 2.863 N/A SER 140.A N VAL 111.A O no hydrogen 3.232 N/A GLN 145.A N PRO 110.A O no hydrogen 3.361 N/A GLN 147.A N PRO 172.A O no hydrogen 3.124 N/A VAL 148.A N THR 112.A O no hydrogen 2.774 N/A VAL 149.A N LEU 174.A O no hydrogen 2.706 N/A LEU 150.A N THR 114.A O no hydrogen 2.733 N/A THR 151.A N VAL 176.A O no hydrogen 2.898 N/A THR 151.A OG1 ASP 153.A O no hydrogen 3.058 N/A ASP 153.A N THR 151.A OG1 no hydrogen 3.313 N/A TYR 154.A OH GLY 186.A O no hydrogen 2.649 N/A LEU 155.A N ASP 153.A OD2 no hydrogen 2.998 N/A GLN 156.A N ASP 153.A O no hydrogen 3.100 N/A LEU 159.A N GLN 156.A O no hydrogen 3.190 N/A ALA 160.A N PRO 157.A O no hydrogen 3.281 N/A ALA 161.A N GLU 158.A O no hydrogen 3.129 N/A ILE 162.A N GLU 158.A O no hydrogen 3.348 N/A ASN 163.A N LEU 159.A O no hydrogen 2.781 N/A LYS 164.A N ALA 160.A O no hydrogen 3.158 N/A GLU 165.A N ALA 161.A O no hydrogen 2.937 N/A ALA 166.A N ILE 162.A O no hydrogen 2.918 N/A LEU 167.A N ASN 163.A O no hydrogen 2.939 N/A GLU 168.A N LYS 164.A O no hydrogen 2.917 N/A ARG 169.A N GLU 165.A O no hydrogen 2.805 N/A GLN 170.A N LEU 167.A O no hydrogen 3.241 N/A GLN 171.A N ALA 166.A O no hydrogen 3.055 N/A GLN 171.A NE2 ALA 144.A O no hydrogen 3.366 N/A TRP 173.A N PHE 189.A O no hydrogen 2.955 N/A LEU 174.A N GLN 147.A O no hydrogen 2.790 N/A LEU 175.A N PRO 187.A O no hydrogen 3.180 N/A VAL 176.A N VAL 149.A O no hydrogen 3.021 N/A LYS 177.A N TRP 184.A O no hydrogen 2.861 N/A LYS 177.A NZ VAL 179.A O no hydrogen 2.826 N/A LYS 177.A NZ ILE 182.A O no hydrogen 2.764 N/A GLY 180.A N THR 230.A OG1 no hydrogen 3.264 N/A LEU 183.A N PHE 275.A O no hydrogen 3.023 N/A TRP 184.A N LYS 177.A O no hydrogen 2.956 N/A LEU 185.A N PHE 273.A O no hydrogen 2.801 N/A GLY 186.A N LEU 175.A O no hydrogen 2.699 N/A LEU 188.A N LEU 268.A O no hydrogen 3.073 N/A PHE 189.A N TRP 173.A O no hydrogen 2.684 N/A VAL 190.A N THR 194.A OG1 no hydrogen 2.879 N/A GLU 193.A N VAL 190.A O no hydrogen 2.749 N/A THR 194.A N VAL 190.A O no hydrogen 3.062 N/A THR 194.A OG1 VAL 190.A O no hydrogen 3.479 N/A THR 194.A OG1 GLY 195.A O no hydrogen 2.788 N/A TRP 197.A N ASN 163.A OD1 no hydrogen 2.869 N/A TRP 197.A NE1 TYR 154.A O no hydrogen 2.766 N/A HIS 198.A ND1 THR 295.A OG1 no hydrogen 2.859 N/A CYS 199.A N CYS 196.A O no hydrogen 3.007 N/A LEU 200.A N CYS 196.A O no hydrogen 3.434 N/A ALA 201.A N TRP 197.A O no hydrogen 2.753 N/A GLN 202.A N HIS 198.A O no hydrogen 3.167 N/A GLN 202.A NE2 TYR 355.A OH no hydrogen 2.755 N/A ARG 203.A N LEU 200.A O no hydrogen 3.053 N/A ARG 203.A NH1 THR 334.A O no hydrogen 2.991 N/A ARG 203.A NH2 ASP 641.A OD2 no hydrogen 3.129 N/A LEU 204.A N LEU 200.A O no hydrogen 2.913 N/A GLN 205.A N ALA 201.A O no hydrogen 2.832 N/A ASN 207.A N LEU 204.A O no hydrogen 2.948 N/A ASN 207.A ND2 ILE 333.A O no hydrogen 3.040 N/A ASN 207.A ND2 GLY 335.A O no hydrogen 3.034 N/A ARG 208.A N GLN 205.A O no hydrogen 3.253 N/A ARG 208.A NH1 ASP 153.A OD1 no hydrogen 2.894 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.819 N/A ALA 212.A N ARG 208.A O no hydrogen 2.931 N/A SER 213.A N GLU 209.A O no hydrogen 3.070 N/A SER 213.A OG GLN 217.A OE1 no hydrogen 2.984 N/A VAL 214.A N VAL 210.A O no hydrogen 2.865 N/A LEU 215.A N GLU 211.A O no hydrogen 3.277 N/A GLN 216.A N ALA 212.A O no hydrogen 2.958 N/A GLN 217.A N SER 213.A O no hydrogen 3.061 N/A LYS 218.A N VAL 214.A O no hydrogen 2.788 N/A ARG 219.A N LEU 215.A O no hydrogen 2.916 N/A ALA 220.A N GLN 216.A O no hydrogen 2.952 N/A LEU 221.A N GLN 217.A O no hydrogen 3.374 N/A GLN 222.A N ARG 219.A O no hydrogen 3.008 N/A THR 226.A OG1 ALA 227.A O no hydrogen 3.246 N/A ARG 228.A NE ASP 152.A O no hydrogen 3.306 N/A ARG 228.A NH1 ALA 227.A O no hydrogen 2.519 N/A ARG 228.A NH2 ASP 152.A O no hydrogen 3.439 N/A THR 234.A OG1 LEU 231.A O no hydrogen 3.083 N/A LEU 235.A N LEU 231.A O no hydrogen 2.990 N/A GLN 236.A N PRO 232.A O no hydrogen 2.773 N/A THR 237.A N SER 233.A O no hydrogen 3.037 N/A THR 237.A OG1 SER 233.A O no hydrogen 2.789 N/A GLY 238.A N THR 234.A O no hydrogen 3.198 N/A LEU 239.A N LEU 235.A O no hydrogen 3.109 N/A GLN 240.A N GLN 236.A O no hydrogen 3.047 N/A TRP 241.A N THR 237.A O no hydrogen 2.805 N/A ALA 242.A N GLY 238.A O no hydrogen 2.941 N/A ALA 243.A N LEU 239.A O no hydrogen 2.951 N/A THR 244.A N GLN 240.A O no hydrogen 3.061 N/A THR 244.A OG1 GLN 240.A O no hydrogen 3.174 N/A GLU 245.A N TRP 241.A O no hydrogen 3.073 N/A ILE 246.A N ALA 242.A O no hydrogen 2.720 N/A ALA 247.A N ALA 243.A O no hydrogen 3.023 N/A LYS 248.A N THR 244.A O no hydrogen 3.128 N/A LYS 248.A NZ GLU 245.A OE2 no hydrogen 2.818 N/A TRP 249.A N GLU 245.A O no hydrogen 2.985 N/A MET 250.A N ILE 246.A O no hydrogen 2.997 N/A MET 250.A N ALA 247.A O no hydrogen 2.997 N/A VAL 251.A N ALA 247.A O no hydrogen 3.029 N/A LYS 252.A N LYS 248.A O no hydrogen 2.928 N/A LYS 252.A NZ PHE 265.A O no hydrogen 3.464 N/A ARG 253.A N TRP 249.A O no hydrogen 2.837 N/A ARG 253.A NH1 GLU 193.A OE2 no hydrogen 3.515 N/A HIS 254.A N MET 250.A O no hydrogen 3.140 N/A LEU 255.A N VAL 251.A O no hydrogen 3.027 N/A ASN 256.A N LYS 252.A O no hydrogen 2.982 N/A ALA 257.A N ARG 253.A O no hydrogen 3.039 N/A ILE 258.A N HIS 254.A O no hydrogen 3.258 N/A ALA 259.A N LEU 255.A O no hydrogen 2.858 N/A THR 262.A N ALA 259.A O no hydrogen 2.860 N/A THR 262.A OG1 ALA 259.A O no hydrogen 2.678 N/A ALA 263.A N ASN 256.A OD1 no hydrogen 2.947 N/A ALA 269.A N THR 267.A OG1 no hydrogen 3.329 N/A GLY 270.A N LEU 188.A O no hydrogen 3.116 N/A LYS 271.A N LEU 268.A O no hydrogen 3.016 N/A LYS 271.A NZ ALA 269.A O no hydrogen 3.182 N/A ILE 272.A N HIS 285.A O no hydrogen 2.787 N/A PHE 273.A N LEU 185.A O no hydrogen 2.967 N/A THR 274.A N LYS 283.A O no hydrogen 2.939 N/A THR 274.A OG1 HIS 285.A NE2 no hydrogen 3.059 N/A PHE 275.A N LEU 183.A O no hydrogen 2.862 N/A ASN 276.A N GLU 281.A O no hydrogen 2.877 N/A GLN 277.A N SER 181.A O no hydrogen 2.689 N/A GLN 277.A NE2 PHE 275.A O no hydrogen 3.210 N/A THR 278.A N ASN 276.A OD1 no hydrogen 2.714 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.623 N/A THR 279.A N ASN 276.A OD1 no hydrogen 3.080 N/A LYS 283.A N THR 274.A O no hydrogen 2.924 N/A HIS 285.A N ILE 272.A O no hydrogen 2.756 N/A HIS 285.A NE2 THR 274.A OG1 no hydrogen 3.059 N/A LEU 287.A N GLY 270.A O no hydrogen 3.006 N/A ARG 289.A NH1 GLY 192.A O no hydrogen 3.393 N/A ARG 289.A NH2 CYS 296.A O no hydrogen 3.448 N/A ARG 290.A NE ASP 641.A OD2 no hydrogen 2.756 N/A ARG 290.A NH2 GLN 360.A OE1 no hydrogen 2.716 N/A GLN 292.A N GLN 292.A OE1 no hydrogen 2.582 N/A GLN 292.A NE2 ASP 641.A OD1 no hydrogen 2.776 N/A CYS 293.A N ARG 290.A O no hydrogen 2.895 N/A THR 295.A OG1 HIS 198.A ND1 no hydrogen 2.859 N/A GLY 297.A N CYS 293.A O no hydrogen 2.687 N/A ASP 298.A N PRO 291.A O no hydrogen 3.007 N/A GLU 300.A N ASP 298.A OD1 no hydrogen 3.129 N/A THR 301.A N ASP 298.A O no hydrogen 3.298 N/A THR 301.A OG1 ASP 298.A O no hydrogen 2.463 N/A ARG 304.A N GLU 300.A O no hydrogen 2.723 N/A ARG 304.A NH1 ASP 298.A OD2 no hydrogen 3.350 N/A ARG 304.A NH2 ASP 298.A OD2 no hydrogen 2.588 N/A ARG 305.A N THR 301.A O no hydrogen 3.043 N/A ARG 305.A NH1 ASP 636.A O no hydrogen 3.330 N/A ARG 305.A NH2 THR 638.A O no hydrogen 2.261 N/A GLY 306.A N LEU 302.A O no hydrogen 2.918 N/A PHE 307.A N ARG 304.A O no hydrogen 3.145 N/A GLU 308.A N ARG 304.A O no hydrogen 3.247 N/A GLU 308.A N ARG 305.A O no hydrogen 3.030 N/A GLU 313.A N GLU 466.A OE2 no hydrogen 2.895 N/A SER 314.A OG ASP 613.A OD2 no hydrogen 2.685 N/A ARG 315.A N ASP 613.A OD1 no hydrogen 2.695 N/A ARG 315.A NE GLU 466.A OE1 no hydrogen 2.555 N/A ARG 315.A NH2 GLU 466.A OE1 no hydrogen 3.326 N/A LYS 317.A NZ SER 611.A O no hydrogen 2.737 N/A THR 322.A N PRO 319.A O no hydrogen 3.143 N/A THR 322.A OG1 PRO 319.A O no hydrogen 3.175 N/A GLN 324.A N GLN 321.A O no hydrogen 3.172 N/A LYS 325.A N GLN 321.A O no hydrogen 3.372 N/A TYR 326.A N THR 322.A O no hydrogen 3.087 N/A GLN 327.A N GLN 324.A O no hydrogen 3.105 N/A GLN 327.A NE2 GLN 327.A O no hydrogen 3.642 N/A LEU 329.A N TYR 326.A O no hydrogen 3.216 N/A ILE 330.A N GLN 327.A O no hydrogen 2.767 N/A GLY 331.A N VAL 337.A O no hydrogen 2.858 N/A THR 334.A OG1 PRO 286.A O no hydrogen 2.410 N/A VAL 337.A N LEU 329.A O no hydrogen 3.162 N/A SER 346.A N SER 343.A O no hydrogen 3.152 N/A GLY 347.A N ARG 344.A O no hydrogen 2.827 N/A LEU 348.A N ARG 344.A O no hydrogen 3.109 N/A CYS 349.A N ALA 345.A O no hydrogen 3.341 N/A CYS 349.A SG ALA 345.A O no hydrogen 3.437 N/A GLU 350.A N SER 346.A O no hydrogen 3.243 N/A ALA 351.A N GLY 347.A O no hydrogen 3.040 N/A ILE 352.A N LEU 348.A O no hydrogen 2.846 N/A GLU 353.A N CYS 349.A O no hydrogen 2.751 N/A ARG 354.A N GLU 350.A O no hydrogen 2.995 N/A TYR 355.A N ALA 351.A O no hydrogen 2.998 N/A SER 356.A N ILE 352.A O no hydrogen 3.072 N/A SER 356.A OG ILE 352.A O no hydrogen 2.826 N/A GLY 357.A N GLU 353.A O no hydrogen 3.378 N/A GLY 357.A N ARG 354.A O no hydrogen 3.133 N/A ILE 358.A N TYR 355.A O no hydrogen 2.890 N/A PHE 359.A N TYR 441.A O no hydrogen 2.959 N/A GLN 360.A N GLU 363.A OE2 no hydrogen 2.525 N/A GLY 361.A N GLU 363.A OE1 no hydrogen 2.636 N/A ARG 365.A N GLN 303.A OE1 no hydrogen 3.362 N/A ARG 365.A NH1 GLY 361.A O no hydrogen 2.821 N/A ARG 365.A NH1 GLU 363.A O no hydrogen 2.906 N/A ARG 365.A NH2 GLY 361.A O no hydrogen 3.295 N/A LYS 366.A N TRP 420.A O no hydrogen 2.721 N/A LYS 366.A NZ TYR 433.A OH no hydrogen 2.850 N/A ALA 368.A N HIS 418.A O no hydrogen 2.990 N/A THR 369.A N GLU 372.A OE1 no hydrogen 3.023 N/A GLU 372.A N THR 369.A OG1 no hydrogen 2.971 N/A LEU 373.A N THR 369.A O no hydrogen 3.119 N/A GLY 374.A N LEU 370.A O no hydrogen 3.057 N/A GLY 374.A N ALA 371.A O no hydrogen 2.912 N/A ALA 377.A N GLY 374.A O no hydrogen 3.178 N/A ILE 378.A N TYR 433.A O no hydrogen 2.923 N/A GLU 381.A N HIS 379.A ND1 no hydrogen 3.333 N/A GLN 382.A N HIS 379.A O no hydrogen 2.970 N/A CYS 383.A N PRO 380.A O no hydrogen 2.735 N/A LEU 384.A N GLU 381.A O no hydrogen 3.293 N/A HIS 385.A N GLU 381.A O no hydrogen 3.142 N/A SER 387.A N GLN 390.A OE1 no hydrogen 2.644 N/A SER 387.A OG GLN 390.A OE1 no hydrogen 3.261 N/A SER 387.A OG GLU 681.A OE2 no hydrogen 2.481 N/A GLN 390.A N SER 387.A OG no hydrogen 2.802 N/A GLN 390.A NE2 SER 658.A O no hydrogen 2.914 N/A TYR 391.A N SER 387.A O no hydrogen 3.287 N/A ASP 392.A N ASP 388.A O no hydrogen 3.060 N/A ASN 393.A N ARG 389.A O no hydrogen 2.973 N/A ARG 394.A N TYR 391.A O no hydrogen 2.925 N/A ARG 394.A NE ILE 408.A O no hydrogen 3.193 N/A ARG 394.A NE PRO 409.A O no hydrogen 2.931 N/A ARG 394.A NH2 ILE 408.A O no hydrogen 2.452 N/A SER 397.A N ASN 393.A O no hydrogen 2.883 N/A SER 397.A OG ASN 393.A O no hydrogen 3.297 N/A SER 397.A OG ARG 394.A O no hydrogen 3.191 N/A ASN 398.A N ARG 394.A O no hydrogen 2.795 N/A ASN 398.A ND2 ILE 408.A O no hydrogen 3.294 N/A GLU 399.A N GLU 395.A O no hydrogen 3.276 N/A ALA 401.A N ASN 398.A O no hydrogen 2.982 N/A THR 402.A OG1 ASP 406.A OD2 no hydrogen 2.520 N/A ILE 408.A N ASN 398.A OD1 no hydrogen 2.943 N/A GLN 410.A N ARG 450.A O no hydrogen 2.857 N/A ARG 411.A NH2 ASP 388.A OD1 no hydrogen 2.637 N/A SER 415.A OG ASP 413.A OD1 no hydrogen 2.858 N/A LYS 416.A N ASP 413.A O no hydrogen 3.235 N/A HIS 418.A N ALA 368.A O no hydrogen 2.942 N/A HIS 418.A NE2 ASP 413.A O no hydrogen 2.612 N/A TRP 420.A N LYS 366.A O no hydrogen 2.884 N/A TRP 420.A NE1 ALA 368.A O no hydrogen 2.644 N/A THR 421.A N LEU 434.A O no hydrogen 2.755 N/A THR 421.A OG1 PRO 364.A O no hydrogen 3.015 N/A THR 421.A OG1 THR 436.A OG1 no hydrogen 2.884 N/A VAL 423.A N LYS 432.A O no hydrogen 2.854 N/A TRP 424.A N VAL 634.A O no hydrogen 2.686 N/A SER 425.A N THR 430.A O no hydrogen 2.790 N/A SER 425.A OG GLU 631.A OE2 no hydrogen 2.233 N/A LEU 426.A N THR 632.A O no hydrogen 3.039 N/A GLU 428.A N SER 425.A OG no hydrogen 2.969 N/A THR 430.A OG1 GLU 428.A O no hydrogen 3.164 N/A LYS 432.A N VAL 423.A O no hydrogen 2.821 N/A LYS 432.A NZ GLU 428.A OE1 no hydrogen 3.031 N/A TYR 433.A N LEU 376.A O no hydrogen 2.798 N/A LEU 434.A N THR 421.A O no hydrogen 3.091 N/A THR 436.A N ASP 419.A O no hydrogen 3.071 N/A THR 436.A OG1 THR 421.A OG1 no hydrogen 2.884 N/A LEU 438.A N PRO 435.A O no hydrogen 3.038 N/A CYS 439.A N THR 436.A O no hydrogen 2.875 N/A CYS 439.A SG PRO 435.A O no hydrogen 3.443 N/A TYR 440.A N THR 436.A O no hydrogen 3.227 N/A TYR 441.A N GLY 357.A O no hydrogen 2.986 N/A ARG 442.A NH2 GLU 209.A OE2 no hydrogen 3.553 N/A TYR 443.A OH ASP 419.A OD2 no hydrogen 2.625 N/A ARG 450.A N GLU 448.A O no hydrogen 2.848 N/A ARG 450.A NE CYS 452.A O no hydrogen 2.936 N/A SER 454.A OG ALA 437.A O no hydrogen 3.544 N/A SER 454.A OG LEU 438.A O no hydrogen 3.120 N/A ASN 457.A N ASP 455.A OD1 no hydrogen 3.437 N/A GLY 458.A N GLU 475.A OE2 no hydrogen 3.043 N/A ASN 459.A N SER 456.A O no hydrogen 3.172 N/A ALA 460.A N VAL 647.A O no hydrogen 3.053 N/A GLY 462.A N ASN 645.A O no hydrogen 3.106 N/A THR 464.A OG1 GLU 466.A OE1 no hydrogen 3.354 N/A THR 464.A OG1 GLU 467.A OE1 no hydrogen 2.456 N/A GLU 467.A N THR 464.A OG1 no hydrogen 3.212 N/A ALA 468.A N THR 464.A O no hydrogen 3.301 N/A ILE 469.A N LEU 465.A O no hydrogen 2.923 N/A LEU 470.A N GLU 466.A O no hydrogen 3.201 N/A GLN 471.A N GLU 467.A O no hydrogen 3.060 N/A GLY 472.A N ALA 468.A O no hydrogen 2.935 N/A PHE 473.A N ILE 469.A O no hydrogen 2.870 N/A MET 474.A N LEU 470.A O no hydrogen 3.034 N/A GLU 475.A N GLN 471.A O no hydrogen 2.908 N/A LEU 476.A N GLY 472.A O no hydrogen 3.022 N/A VAL 477.A N PHE 473.A O no hydrogen 3.167 N/A GLU 478.A N MET 474.A O no hydrogen 2.881 N/A ARG 479.A N GLU 475.A O no hydrogen 3.300 N/A ARG 479.A N LEU 476.A O no hydrogen 3.244 N/A ARG 479.A NH1 ASN 457.A OD1 no hydrogen 3.376 N/A ASP 480.A N LEU 476.A O no hydrogen 2.980 N/A SER 481.A N VAL 477.A O no hydrogen 2.949 N/A SER 481.A OG VAL 477.A O no hydrogen 2.834 N/A VAL 482.A N GLU 478.A O no hydrogen 3.104 N/A CYS 483.A N ARG 479.A O no hydrogen 3.077 N/A CYS 483.A SG ARG 479.A O no hydrogen 3.113 N/A LEU 484.A N ASP 480.A O no hydrogen 3.106 N/A TRP 485.A N SER 481.A O no hydrogen 3.217 N/A TRP 485.A NE1 TYR 591.A O no hydrogen 3.157 N/A TRP 486.A N VAL 482.A O no hydrogen 2.873 N/A TYR 487.A N CYS 483.A O no hydrogen 3.087 N/A ASN 488.A N LEU 484.A O no hydrogen 3.405 N/A ASN 488.A ND2 LEU 484.A O no hydrogen 2.943 N/A ASN 488.A ND2 LEU 665.A O no hydrogen 2.927 N/A ARG 489.A N TRP 486.A O no hydrogen 3.098 N/A ARG 489.A NH2 GLN 683.A O no hydrogen 2.797 N/A VAL 490.A N TRP 485.A O no hydrogen 3.117 N/A SER 491.A OG VAL 593.A O no hydrogen 3.543 N/A ARG 492.A NE ASP 523.A O no hydrogen 2.796 N/A ASP 496.A N LYS 601.A O no hydrogen 2.739 N/A SER 498.A OG ASP 496.A OD1 no hydrogen 2.534 N/A SER 499.A OG ASP 496.A O no hydrogen 2.552 N/A PHE 500.A N LEU 497.A O no hydrogen 3.045 N/A PHE 505.A N GLU 502.A O no hydrogen 3.317 N/A GLN 507.A N PRO 503.A O no hydrogen 3.243 N/A LEU 508.A N TYR 504.A O no hydrogen 2.747 N/A GLN 509.A N PHE 505.A O no hydrogen 2.962 N/A GLN 509.A NE2 GLN 513.A OE1 no hydrogen 3.122 N/A GLN 510.A N LEU 506.A O no hydrogen 2.991 N/A PHE 511.A N GLN 507.A O no hydrogen 3.002 N/A TYR 512.A N LEU 508.A O no hydrogen 3.037 N/A TYR 512.A OH ASN 569.A OD1 no hydrogen 2.250 N/A GLN 513.A N GLN 510.A O no hydrogen 2.877 N/A THR 514.A N PHE 511.A O no hydrogen 2.960 N/A THR 514.A OG1 PHE 511.A O no hydrogen 2.441 N/A GLN 515.A N PHE 511.A O no hydrogen 3.300 N/A GLN 515.A N TYR 512.A O no hydrogen 3.050 N/A GLN 515.A NE2 THR 514.A OG1 no hydrogen 2.531 N/A ARG 517.A N TYR 512.A O no hydrogen 2.825 N/A ARG 517.A NH1 SER 537.A O no hydrogen 2.858 N/A ARG 517.A NH1 SER 537.A OG no hydrogen 2.626 N/A ARG 517.A NH1 ARG 546.A O no hydrogen 3.204 N/A ARG 517.A NH2 ARG 546.A O no hydrogen 2.551 N/A ASP 518.A N ASN 538.A O no hydrogen 2.778 N/A TRP 520.A N VAL 536.A O no hydrogen 3.026 N/A LEU 522.A N VAL 534.A O no hydrogen 2.963 N/A ASP 523.A N PRO 493.A O no hydrogen 2.867 N/A LEU 524.A N ALA 532.A O no hydrogen 2.586 N/A THR 525.A OG1 ASP 523.A OD1 no hydrogen 2.969 N/A THR 525.A OG1 ASP 523.A OD2 no hydrogen 3.507 N/A THR 525.A OG1 ILE 530.A O no hydrogen 3.534 N/A GLY 529.A N ALA 526.A O no hydrogen 2.841 N/A ALA 532.A N THR 525.A OG1 no hydrogen 3.260 N/A PHE 533.A N GLY 552.A O no hydrogen 2.966 N/A VAL 534.A N LEU 522.A O no hydrogen 3.152 N/A GLY 535.A N GLY 550.A O no hydrogen 2.754 N/A VAL 536.A N TRP 520.A O no hydrogen 2.814 N/A SER 537.A N ILE 548.A O no hydrogen 3.081 N/A SER 537.A OG ASP 518.A O no hydrogen 2.892 N/A ASN 538.A ND2 ASP 518.A OD2 no hydrogen 2.851 N/A ASN 538.A ND2 ARG 539.A O no hydrogen 2.766 N/A ARG 539.A N GLU 545.A O no hydrogen 2.607 N/A LYS 540.A N ASN 516.A O no hydrogen 3.118 N/A LYS 540.A NZ ASP 518.A OD1 no hydrogen 3.098 N/A ALA 541.A N ASN 516.A OD1 no hydrogen 3.414 N/A SER 544.A OG VAL 582.A O no hydrogen 3.140 N/A ILE 548.A N SER 537.A O no hydrogen 2.810 N/A GLY 550.A N GLY 535.A O no hydrogen 3.178 N/A GLY 552.A N PHE 533.A O no hydrogen 3.202 N/A HIS 554.A N PRO 531.A O no hydrogen 3.156 N/A ASP 556.A N HIS 554.A ND1 no hydrogen 3.374 N/A THR 558.A N ASP 556.A OD1 no hydrogen 2.820 N/A THR 558.A OG1 ASP 556.A OD1 no hydrogen 3.261 N/A ALA 560.A N ASP 556.A O no hydrogen 3.069 N/A ILE 561.A N PRO 557.A O no hydrogen 2.829 N/A LEU 562.A N THR 558.A O no hydrogen 2.979 N/A ARG 563.A N VAL 559.A O no hydrogen 3.082 N/A ALA 564.A N ALA 560.A O no hydrogen 3.155 N/A LEU 565.A N ILE 561.A O no hydrogen 2.953 N/A THR 566.A N LEU 562.A O no hydrogen 2.875 N/A THR 566.A OG1 LEU 562.A O no hydrogen 3.156 N/A GLU 567.A N ARG 563.A O no hydrogen 2.937 N/A VAL 568.A N ALA 564.A O no hydrogen 3.038 N/A ASN 569.A N LEU 565.A O no hydrogen 2.790 N/A GLN 570.A N THR 566.A O no hydrogen 2.862 N/A ILE 571.A N GLU 567.A O no hydrogen 3.003 N/A GLY 572.A N VAL 568.A O no hydrogen 2.791 N/A LEU 573.A N ASN 569.A O no hydrogen 2.845 N/A GLU 574.A N GLN 570.A O no hydrogen 3.128 N/A LEU 575.A N ILE 571.A O no hydrogen 3.105 N/A VAL 582.A N ASP 579.A O no hydrogen 3.048 N/A ASN 583.A N ASP 579.A O no hydrogen 2.827 N/A ALA 584.A N TRP 580.A O no hydrogen 2.794 N/A LEU 586.A N GLU 545.A OE1 no hydrogen 2.833 N/A ALA 588.A N THR 585.A OG1 no hydrogen 2.760 N/A SER 589.A N LEU 586.A O no hydrogen 2.877 N/A SER 589.A OG THR 585.A O no hydrogen 2.960 N/A LEU 592.A N SER 589.A O no hydrogen 2.910 N/A VAL 593.A N PRO 590.A O no hydrogen 2.849 N/A ASP 595.A N ARG 492.A O no hydrogen 2.956 N/A SER 597.A N ASP 595.A OD1 no hydrogen 2.784 N/A SER 597.A OG ASP 595.A OD1 no hydrogen 2.606 N/A SER 597.A OG ASP 595.A OD2 no hydrogen 3.308 N/A GLN 598.A N ASP 595.A O no hydrogen 3.300 N/A LYS 601.A N ALA 494.A O no hydrogen 2.798 N/A THR 602.A N ASP 605.A OD2 no hydrogen 3.069 N/A THR 602.A OG1 ASP 605.A OD2 no hydrogen 3.349 N/A ALA 603.A N SER 499.A OG no hydrogen 3.096 N/A LYS 604.A N THR 602.A OG1 no hydrogen 3.278 N/A ASP 605.A N THR 602.A O no hydrogen 3.173 N/A TYR 606.A OH ASP 523.A OD1 no hydrogen 2.575 N/A ARG 608.A NE TRP 610.A O no hydrogen 3.597 N/A SER 611.A N ASP 617.A OD1 no hydrogen 2.922 N/A SER 611.A N ASP 617.A OD2 no hydrogen 3.395 N/A SER 611.A OG ASP 613.A O no hydrogen 3.080 N/A SER 611.A OG ASP 617.A OD1 no hydrogen 2.682 N/A ASP 613.A N SER 611.A OG no hydrogen 3.397 N/A ILE 614.A N ARG 315.A O no hydrogen 3.373 N/A TYR 615.A N ASP 613.A OD1 no hydrogen 3.193 N/A ASP 617.A N ASP 613.A O no hydrogen 3.151 N/A VAL 618.A N ILE 614.A O no hydrogen 2.902 N/A MET 619.A N TYR 615.A O no hydrogen 3.043 N/A THR 620.A N THR 616.A O no hydrogen 2.648 N/A THR 620.A OG1 THR 616.A O no hydrogen 2.959 N/A CYS 621.A N ASP 617.A O no hydrogen 2.829 N/A CYS 621.A SG ASP 617.A O no hydrogen 3.131 N/A VAL 622.A N VAL 618.A O no hydrogen 2.810 N/A GLU 623.A N MET 619.A O no hydrogen 3.101 N/A ILE 624.A N THR 620.A O no hydrogen 2.970 N/A ALA 625.A N CYS 621.A O no hydrogen 3.056 N/A LYS 626.A N VAL 622.A O no hydrogen 2.912 N/A GLN 627.A N GLU 623.A O no hydrogen 2.858 N/A ALA 628.A N ILE 624.A O no hydrogen 3.024 N/A GLY 629.A N LYS 626.A O no hydrogen 3.026 N/A LEU 633.A N ILE 650.A O no hydrogen 2.710 N/A VAL 634.A N TRP 424.A O no hydrogen 2.780 N/A LEU 635.A N LYS 648.A O no hydrogen 3.017 N/A GLN 637.A N VAL 646.A O no hydrogen 2.744 N/A THR 638.A N ASP 636.A OD1 no hydrogen 2.831 N/A THR 638.A OG1 ASP 636.A OD1 no hydrogen 2.288 N/A THR 638.A OG1 VAL 646.A O no hydrogen 3.541 N/A ARG 639.A NE SER 356.A O no hydrogen 2.971 N/A ARG 639.A NH1 ASP 362.A OD1 no hydrogen 3.065 N/A ARG 639.A NH1 GLU 363.A OE2 no hydrogen 2.912 N/A ARG 639.A NH2 SER 356.A O no hydrogen 2.934 N/A ARG 639.A NH2 GLU 363.A OE2 no hydrogen 2.889 N/A ILE 642.A N ARG 639.A O no hydrogen 2.826 N/A GLY 643.A N ARG 639.A O no hydrogen 3.093 N/A ASN 645.A N GLY 462.A O no hydrogen 3.197 N/A VAL 646.A N THR 638.A OG1 no hydrogen 3.118 N/A VAL 647.A N ALA 460.A O no hydrogen 2.873 N/A LYS 648.A N LEU 635.A O no hydrogen 3.012 N/A LYS 648.A NZ ASP 455.A O no hydrogen 3.069 N/A LYS 648.A NZ ASN 459.A OD1 no hydrogen 2.855 N/A VAL 649.A N GLY 458.A O no hydrogen 3.083 N/A ILE 650.A N LEU 633.A O no hydrogen 2.798 N/A MET 654.A N VAL 651.A O no hydrogen 3.045 N/A ARG 655.A N ASP 480.A OD1 no hydrogen 3.015 N/A ARG 655.A NH1 GLY 661.A O no hydrogen 2.907 N/A ARG 655.A NH1 SER 662.A O no hydrogen 3.402 N/A ARG 655.A NH2 ARG 659.A O no hydrogen 2.757 N/A ARG 655.A NH2 GLY 661.A O no hydrogen 2.971 N/A SER 658.A OG ASP 406.A OD1 no hydrogen 3.048 N/A PHE 660.A N GLN 390.A OE1 no hydrogen 2.999 N/A GLY 661.A N HIS 385.A O no hydrogen 2.819 N/A ARG 664.A NE ASP 480.A OD1 no hydrogen 3.034 N/A ARG 664.A NH1 ASP 527.A OD1 no hydrogen 3.076 N/A ARG 664.A NH1 ASP 527.A OD2 no hydrogen 3.015 N/A ARG 664.A NH2 ASP 480.A OD1 no hydrogen 3.438 N/A ARG 664.A NH2 ASP 480.A OD2 no hydrogen 2.475 N/A ARG 664.A NH2 ASP 527.A OD1 no hydrogen 3.042 N/A TYR 666.A N GLY 663.A O no hydrogen 3.236 N/A TYR 666.A OH PHE 660.A O no hydrogen 2.839 N/A ASP 667.A N GLY 663.A O no hydrogen 3.153 N/A VAL 668.A N ARG 664.A O no hydrogen 2.804 N/A LYS 671.A N ASP 667.A O no hydrogen 2.852 N/A LYS 671.A NZ ASP 527.A OD2 no hydrogen 3.272 N/A LEU 672.A N VAL 668.A O no hydrogen 2.821 N/A GLY 673.A N VAL 670.A O no hydrogen 2.944 N/A TRP 674.A N PRO 669.A O no hydrogen 2.833 N/A ARG 675.A NE GLN 677.A O no hydrogen 2.837 N/A ARG 675.A NH2 GLN 677.A O no hydrogen 3.278 N/A GLN 683.A N ALA 680.A O no hydrogen 3.009 N/A MET 684.A N GLU 681.A O no hydrogen 3.204 N/A ASN 685.A N TYR 487.A O no hydrogen 2.809 N/A ASN 685.A ND2 TRP 486.A O no hydrogen 3.032 N/A ASN 685.A ND2 TYR 591.A OH no hydrogen 3.157 N/A THR 687.A N ASN 685.A OD1 no hydrogen 2.761 N/A THR 687.A OG1 ASN 685.A OD1 no hydrogen 3.387 N/A