Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ibm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 17.A ND2 LYS 13.A O no hydrogen 3.422 N/A ARG 18.A N ARG 14.A O no hydrogen 3.313 N/A ARG 18.A NH1 ASP 94.A OD2 no hydrogen 2.953 N/A TYR 19.A N THR 15.A O no hydrogen 3.255 N/A TYR 19.A OH ASP 94.A OD2 no hydrogen 2.587 N/A GLU 20.A N LEU 16.A O no hydrogen 2.865 N/A LYS 21.A N ASN 17.A O no hydrogen 3.118 N/A ILE 22.A N ARG 18.A O no hydrogen 3.195 N/A ALA 23.A N TYR 19.A O no hydrogen 2.903 N/A ASN 24.A N GLU 20.A O no hydrogen 2.998 N/A ASP 25.A N LYS 21.A O no hydrogen 2.744 N/A ILE 26.A N ILE 22.A O no hydrogen 2.780 N/A ASP 27.A N ALA 23.A O no hydrogen 2.926 N/A ALA 28.A N ASP 25.A O no hydrogen 3.035 N/A ILE 29.A N ASP 25.A O no hydrogen 3.433 N/A ARG 30.A N ASP 27.A O no hydrogen 3.245 N/A ASP 32.A N ILE 29.A O no hydrogen 3.006 N/A ASN 35.A ND2 GLY 31.A O no hydrogen 3.508 N/A LEU 36.A N TYR 33.A O no hydrogen 3.307 N/A ALA 40.A N SER 37.A OG no hydrogen 3.276 N/A LEU 41.A N SER 37.A O no hydrogen 3.465 N/A LYS 42.A N ASP 38.A O no hydrogen 3.211 N/A HIS 43.A N ASP 39.A O no hydrogen 2.998 N/A LYS 44.A N LEU 41.A O no hydrogen 2.605 N/A THR 45.A N LYS 42.A O no hydrogen 2.937 N/A THR 45.A OG1 TYR 115.A OH no hydrogen 2.727 N/A THR 45.A OG1 LEU 148.A O no hydrogen 2.668 N/A GLU 47.A N HIS 43.A O no hydrogen 2.868 N/A PHE 48.A N LYS 44.A O no hydrogen 2.761 N/A LYS 49.A N THR 45.A O no hydrogen 3.033 N/A GLU 50.A N ILE 46.A O no hydrogen 2.806 N/A ARG 51.A N GLU 47.A O no hydrogen 2.926 N/A ARG 51.A NH1 GLU 47.A OE1 no hydrogen 3.556 N/A ARG 51.A NH1 GLU 64.A OE1 no hydrogen 3.094 N/A ARG 51.A NH1 GLU 64.A OE2 no hydrogen 3.393 N/A ARG 51.A NH2 GLU 64.A OE2 no hydrogen 2.871 N/A LEU 52.A N PHE 48.A O no hydrogen 2.903 N/A GLU 53.A N LYS 49.A O no hydrogen 3.413 N/A LYS 54.A N GLU 50.A O no hydrogen 3.206 N/A GLY 55.A N ARG 51.A O no hydrogen 3.294 N/A ALA 56.A N ARG 51.A O no hydrogen 2.997 N/A THR 57.A N ASP 60.A OD2 no hydrogen 3.355 N/A THR 57.A OG1 ASP 59.A OD2 no hydrogen 3.415 N/A ASP 60.A N THR 57.A OG1 no hydrogen 2.650 N/A LEU 61.A N THR 58.A O no hydrogen 3.223 N/A LEU 62.A N ASP 59.A O no hydrogen 3.268 N/A ALA 65.A N LEU 61.A O no hydrogen 2.836 N/A PHE 66.A N LEU 62.A O no hydrogen 2.915 N/A ALA 67.A N VAL 63.A O no hydrogen 3.011 N/A VAL 68.A N GLU 64.A O no hydrogen 2.868 N/A VAL 69.A N ALA 65.A O no hydrogen 2.995 N/A ARG 70.A N PHE 66.A O no hydrogen 2.843 N/A ARG 70.A NE PRO 81.A O no hydrogen 2.882 N/A ARG 70.A NH1 ASP 27.A OD2 no hydrogen 3.071 N/A ARG 70.A NH2 ASP 27.A OD2 no hydrogen 3.431 N/A ARG 70.A NH2 PRO 81.A O no hydrogen 3.467 N/A GLU 71.A N ALA 67.A O no hydrogen 3.112 N/A ALA 72.A N VAL 68.A O no hydrogen 2.826 N/A SER 73.A N VAL 69.A O no hydrogen 2.834 N/A SER 73.A OG THR 77.A OG1 no hydrogen 3.077 N/A SER 73.A OG MET 79.A O no hydrogen 2.504 N/A ARG 74.A N ARG 70.A O no hydrogen 3.086 N/A ARG 75.A N GLU 71.A O no hydrogen 3.112 N/A ARG 75.A N ALA 72.A O no hydrogen 2.722 N/A ARG 75.A NE GLU 71.A OE2 no hydrogen 2.704 N/A ARG 75.A NH1 LEU 36.A O no hydrogen 2.858 N/A ARG 75.A NH1 ASP 38.A OD1 no hydrogen 2.741 N/A ARG 75.A NH2 TYR 33.A O no hydrogen 2.586 N/A ARG 75.A NH2 LEU 36.A O no hydrogen 2.852 N/A VAL 76.A N ALA 72.A O no hydrogen 2.814 N/A VAL 76.A N SER 73.A O no hydrogen 2.940 N/A THR 77.A N SER 73.A O no hydrogen 2.605 N/A THR 77.A OG1 SER 73.A O no hydrogen 2.740 N/A THR 77.A OG1 SER 73.A OG no hydrogen 3.077 N/A GLY 78.A N SER 73.A O no hydrogen 3.209 N/A MET 79.A N THR 77.A OG1 no hydrogen 3.380 N/A PHE 82.A N GLN 85.A OE1 no hydrogen 3.183 N/A LYS 83.A NZ ASN 24.A OD1 no hydrogen 3.348 N/A LEU 86.A N PHE 82.A O no hydrogen 2.874 N/A MET 87.A N LYS 83.A O no hydrogen 2.906 N/A GLY 88.A N VAL 84.A O no hydrogen 2.972 N/A GLY 89.A N GLN 85.A O no hydrogen 2.947 N/A VAL 90.A N LEU 86.A O no hydrogen 3.393 N/A ALA 91.A N MET 87.A O no hydrogen 3.090 N/A LEU 92.A N GLY 88.A O no hydrogen 3.055 N/A HIS 93.A N GLY 89.A O no hydrogen 2.615 N/A ASP 94.A N VAL 90.A O no hydrogen 2.805 N/A GLY 95.A N LEU 92.A O no hydrogen 2.869 N/A ASN 96.A N ALA 91.A O no hydrogen 2.990 N/A ILE 97.A N GLN 388.A O no hydrogen 2.964 N/A ALA 98.A N GLY 369.A O no hydrogen 2.725 N/A GLU 99.A N VAL 390.A O no hydrogen 2.723 N/A MET 100.A N THR 371.A O no hydrogen 3.115 N/A LYS 101.A NZ GLY 372.A O no hydrogen 3.038 N/A THR 107.A OG1 ASP 137.A OD2 no hydrogen 3.254 N/A THR 109.A N GLY 105.A O no hydrogen 3.087 N/A THR 109.A OG1 GLY 105.A O no hydrogen 2.969 N/A SER 110.A N LYS 106.A O no hydrogen 2.831 N/A SER 110.A OG THR 107.A O no hydrogen 2.556 N/A THR 111.A N THR 107.A O no hydrogen 3.338 N/A THR 111.A N LEU 108.A O no hydrogen 2.850 N/A THR 111.A OG1 LEU 108.A O no hydrogen 2.611 N/A LEU 112.A N THR 109.A O no hydrogen 3.089 N/A VAL 114.A N SER 110.A O no hydrogen 2.907 N/A TYR 115.A N THR 111.A O no hydrogen 2.808 N/A TYR 115.A OH THR 45.A OG1 no hydrogen 2.727 N/A LEU 116.A N LEU 112.A O no hydrogen 3.251 N/A ASN 117.A N PRO 113.A O no hydrogen 2.854 N/A ASN 117.A ND2 PRO 113.A O no hydrogen 2.759 N/A ALA 118.A N TYR 115.A O no hydrogen 2.805 N/A LEU 119.A N LEU 116.A O no hydrogen 3.448 N/A GLY 121.A N ALA 118.A O no hydrogen 3.228 N/A HIS 125.A N PHE 203.A O no hydrogen 3.158 N/A VAL 126.A N THR 173.A O no hydrogen 2.987 N/A VAL 127.A N VAL 205.A O no hydrogen 2.606 N/A THR 128.A N SER 175.A O no hydrogen 3.175 N/A VAL 129.A N THR 128.A OG1 no hydrogen 2.812 N/A LEU 133.A N ASN 130.A OD1 no hydrogen 2.959 N/A ALA 134.A N ASN 130.A O no hydrogen 3.222 N/A SER 135.A N GLU 131.A O no hydrogen 2.950 N/A SER 135.A OG GLU 131.A O no hydrogen 2.992 N/A ARG 136.A N TYR 132.A O no hydrogen 2.877 N/A ARG 136.A NE ASP 137.A OD1 no hydrogen 2.841 N/A ARG 136.A NH1 GLY 490.A O no hydrogen 3.196 N/A ARG 136.A NH2 ASP 137.A OD1 no hydrogen 2.857 N/A ARG 136.A NH2 GLY 490.A O no hydrogen 3.504 N/A ASP 137.A N LEU 133.A O no hydrogen 3.244 N/A ALA 138.A N ALA 134.A O no hydrogen 2.694 N/A GLU 139.A N SER 135.A O no hydrogen 2.976 N/A GLN 140.A N ARG 136.A O no hydrogen 2.889 N/A MET 141.A N ASP 137.A O no hydrogen 3.018 N/A PHE 145.A N MET 141.A O no hydrogen 3.116 N/A GLU 146.A N GLY 142.A O no hydrogen 3.051 N/A PHE 147.A N LYS 143.A O no hydrogen 2.971 N/A LEU 148.A N ILE 144.A O no hydrogen 3.391 N/A LEU 148.A N PHE 145.A O no hydrogen 2.943 N/A GLY 149.A N GLU 146.A O no hydrogen 2.724 N/A THR 151.A N ASP 171.A OD2 no hydrogen 2.732 N/A THR 151.A OG1 ASP 171.A OD2 no hydrogen 2.759 N/A ASN 155.A N TYR 174.A O no hydrogen 2.886 N/A ASN 155.A ND2 ASP 183.A OD2 no hydrogen 2.928 N/A ASN 157.A ND2 GLU 179.A OE2 no hydrogen 2.893 N/A SER 160.A N GLU 163.A OE1 no hydrogen 3.198 N/A ASP 162.A N SER 160.A OG no hydrogen 3.308 N/A LYS 164.A N SER 160.A O no hydrogen 3.105 N/A LYS 164.A NZ ASN 155.A OD1 no hydrogen 2.884 N/A LYS 164.A NZ GLU 179.A OE1 no hydrogen 2.781 N/A LYS 164.A NZ ASP 183.A OD1 no hydrogen 2.476 N/A LYS 164.A NZ ASP 183.A OD2 no hydrogen 2.608 N/A ARG 165.A NE GLU 194.A O no hydrogen 3.212 N/A ARG 165.A NE MET 196.A O no hydrogen 2.926 N/A ARG 165.A NH2 GLU 194.A O no hydrogen 3.124 N/A ARG 165.A NH2 GLN 195.A O no hydrogen 2.877 N/A ARG 165.A NH2 MET 196.A O no hydrogen 3.527 N/A GLU 166.A N ASP 162.A O no hydrogen 3.167 N/A ALA 167.A N GLU 163.A O no hydrogen 3.018 N/A TYR 168.A N LYS 164.A O no hydrogen 2.949 N/A TYR 168.A OH ASP 183.A OD2 no hydrogen 3.002 N/A ALA 170.A N ALA 167.A O no hydrogen 2.891 N/A ASP 171.A N THR 151.A OG1 no hydrogen 2.916 N/A ILE 172.A N THR 151.A O no hydrogen 2.884 N/A THR 173.A N VAL 124.A O no hydrogen 2.939 N/A THR 173.A OG1 ALA 167.A O no hydrogen 2.563 N/A TYR 174.A N GLY 153.A O no hydrogen 2.636 N/A SER 175.A OG THR 176.A O no hydrogen 2.846 N/A ASN 177.A N THR 128.A O no hydrogen 3.209 N/A ASN 177.A ND2 GLU 216.A OE1 no hydrogen 3.234 N/A GLU 179.A N THR 176.A OG1 no hydrogen 3.409 N/A LEU 180.A N THR 176.A O no hydrogen 3.369 N/A GLY 181.A N ASN 177.A O no hydrogen 3.073 N/A PHE 182.A N ASN 178.A O no hydrogen 2.699 N/A ASP 183.A N GLU 179.A O no hydrogen 2.596 N/A TYR 184.A N LEU 180.A O no hydrogen 3.187 N/A LEU 185.A N GLY 181.A O no hydrogen 3.103 N/A ARG 186.A N PHE 182.A O no hydrogen 2.726 N/A ARG 186.A NH2 GLU 179.A OE1 no hydrogen 3.175 N/A ASP 187.A N ASP 183.A O no hydrogen 2.960 N/A ASN 188.A N LEU 185.A O no hydrogen 2.988 N/A ASN 188.A ND2 TYR 184.A O no hydrogen 2.648 N/A MET 189.A N ARG 186.A O no hydrogen 3.101 N/A LYS 193.A NZ ASP 619.A OD2 no hydrogen 2.734 N/A GLN 195.A N TYR 192.A O no hydrogen 3.001 N/A VAL 197.A N ASP 187.A OD1 no hydrogen 2.764 N/A GLN 198.A N ASP 187.A OD2 no hydrogen 2.816 N/A GLN 198.A NE2 TYR 168.A OH no hydrogen 3.371 N/A GLN 198.A NE2 LEU 180.A O no hydrogen 3.161 N/A GLN 198.A NE2 TYR 360.A OH no hydrogen 3.423 N/A ARG 199.A NE TYR 168.A O no hydrogen 2.790 N/A ARG 199.A NH1 GLY 121.A O no hydrogen 2.771 N/A ARG 199.A NH2 TYR 168.A O no hydrogen 3.378 N/A ARG 199.A NH2 ALA 170.A O no hydrogen 3.124 N/A ALA 204.A N LYS 366.A O no hydrogen 2.925 N/A VAL 205.A N HIS 125.A O no hydrogen 2.818 N/A ILE 206.A N ALA 368.A O no hydrogen 2.923 N/A ASP 207.A N VAL 127.A O no hydrogen 2.576 N/A VAL 209.A N MET 370.A O no hydrogen 2.996 N/A ASP 210.A N ASP 210.A OD2 no hydrogen 2.400 N/A ILE 212.A N GLU 208.A O no hydrogen 3.424 N/A LEU 213.A N VAL 209.A O no hydrogen 2.680 N/A ILE 214.A N ASP 210.A O no hydrogen 2.594 N/A ASP 215.A N ASP 210.A O no hydrogen 2.978 N/A ASP 215.A N SER 211.A O no hydrogen 3.213 N/A GLU 216.A N SER 211.A O no hydrogen 2.812 N/A ARG 218.A NH1 ASP 215.A O no hydrogen 3.140 N/A ARG 218.A NH2 ASN 589.A OD1 no hydrogen 3.167 N/A THR 219.A OG1 PRO 220.A O no hydrogen 3.012 N/A LEU 221.A N ILE 355.A O no hydrogen 2.624 N/A ILE 223.A N ALA 353.A O no hydrogen 2.904 N/A GLY 225.A N MET 350.A O no hydrogen 3.188 N/A TYR 234.A N SER 230.A O no hydrogen 3.123 N/A TYR 234.A N THR 231.A O no hydrogen 3.193 N/A GLN 236.A NE2 LYS 232.A O no hydrogen 3.506 N/A ALA 237.A N LEU 233.A O no hydrogen 2.793 N/A ASN 238.A N TYR 234.A O no hydrogen 3.362 N/A ASN 238.A N VAL 235.A O no hydrogen 3.039 N/A ALA 239.A N GLN 236.A O no hydrogen 3.159 N/A GLY 265.A N THR 262.A O no hydrogen 2.913 N/A THR 267.A N GLU 263.A O no hydrogen 3.142 N/A THR 267.A OG1 GLU 263.A O no hydrogen 2.731 N/A ALA 269.A N GLY 265.A O no hydrogen 2.543 N/A GLU 270.A N MET 266.A O no hydrogen 2.663 N/A LYS 271.A N THR 267.A O no hydrogen 2.808 N/A ALA 272.A N LYS 268.A O no hydrogen 3.008 N/A PHE 273.A N GLU 270.A O no hydrogen 2.953 N/A GLY 274.A N GLU 270.A O no hydrogen 2.333 N/A LEU 286.A N HIS 283.A O no hydrogen 2.708 N/A HIS 288.A N VAL 284.A O no hydrogen 3.046 N/A HIS 288.A NE2 GLU 331.A O no hydrogen 2.814 N/A HIS 289.A N ALA 285.A O no hydrogen 3.178 N/A ILE 290.A N LEU 286.A O no hydrogen 2.944 N/A ASN 291.A N ASN 287.A O no hydrogen 3.034 N/A ASN 291.A ND2 ASN 287.A O no hydrogen 3.686 N/A GLN 292.A N HIS 288.A O no hydrogen 3.024 N/A ALA 293.A N HIS 289.A O no hydrogen 2.711 N/A LEU 294.A N ILE 290.A O no hydrogen 2.852 N/A LYS 295.A N ASN 291.A O no hydrogen 2.816 N/A ALA 296.A N GLN 292.A O no hydrogen 2.865 N/A LYS 302.A N GLN 301.A OE1 no hydrogen 3.089 N/A ASP 303.A N VAL 307.A O no hydrogen 3.392 N/A VAL 314.A N VAL 308.A O no hydrogen 3.078 N/A GLY 321.A N ASP 317.A O no hydrogen 2.834 N/A ARG 322.A NH1 ARG 741.A O no hydrogen 2.894 N/A ARG 322.A NH2 GLU 751.A OE1 no hydrogen 2.957 N/A MET 324.A N ILE 315.A O no hydrogen 2.662 N/A LYS 325.A N LEU 323.A O no hydrogen 2.766 N/A ARG 327.A N MET 324.A O no hydrogen 3.291 N/A ARG 327.A NE GLU 755.A OE1 no hydrogen 3.074 N/A GLU 338.A N HIS 334.A O no hydrogen 2.801 N/A ALA 339.A N GLN 335.A O no hydrogen 3.220 N/A LYS 340.A N GLN 335.A O no hydrogen 3.383 N/A GLU 344.A N GLY 342.A O no hydrogen 2.591 N/A SER 349.A N GLU 348.A OE1 no hydrogen 3.491 N/A THR 351.A N ASP 729.A OD1 no hydrogen 3.005 N/A THR 351.A OG1 ASP 732.A OD2 no hydrogen 3.357 N/A LEU 352.A N ILE 223.A O no hydrogen 2.807 N/A THR 354.A OG1 ASP 600.A OD1 no hydrogen 3.493 N/A ILE 355.A N LEU 221.A O no hydrogen 3.068 N/A THR 356.A N ASP 600.A OD2 no hydrogen 2.869 N/A THR 356.A OG1 ASP 600.A OD2 no hydrogen 2.719 N/A GLN 358.A NE2 ALA 217.A O no hydrogen 3.655 N/A ASN 359.A N THR 356.A OG1 no hydrogen 3.194 N/A ASN 359.A ND2 ASP 600.A OD2 no hydrogen 2.640 N/A TYR 360.A N THR 356.A O no hydrogen 2.903 N/A TYR 360.A OH TYR 364.A OH no hydrogen 2.813 N/A PHE 361.A N PHE 357.A O no hydrogen 2.856 N/A ARG 362.A N GLN 358.A O no hydrogen 3.255 N/A ARG 362.A NE GLN 358.A O no hydrogen 3.249 N/A MET 363.A N TYR 360.A O no hydrogen 2.811 N/A TYR 364.A N PHE 361.A O no hydrogen 3.347 N/A TYR 364.A OH TYR 360.A OH no hydrogen 2.813 N/A GLU 365.A N LEU 201.A O no hydrogen 3.422 N/A GLU 365.A N HIS 202.A O no hydrogen 2.827 N/A LYS 366.A NZ HIS 93.A O no hydrogen 2.931 N/A LYS 366.A NZ ASN 117.A OD1 no hydrogen 2.824 N/A ALA 368.A N ALA 204.A O no hydrogen 2.831 N/A GLY 369.A N ASN 96.A O no hydrogen 3.131 N/A MET 370.A N ILE 206.A O no hydrogen 2.850 N/A THR 371.A N ALA 98.A O no hydrogen 3.436 N/A THR 371.A OG1 ASP 210.A OD1 no hydrogen 3.000 N/A THR 371.A OG1 ASP 210.A OD2 no hydrogen 2.606 N/A THR 373.A N THR 371.A OG1 no hydrogen 3.032 N/A THR 373.A OG1 ASP 210.A OD1 no hydrogen 2.975 N/A THR 373.A OG1 THR 373.A O no hydrogen 2.632 N/A ALA 374.A N GLU 99.A OE1 no hydrogen 2.583 N/A LYS 375.A NZ VAL 389.A O no hydrogen 3.480 N/A LYS 375.A NZ THR 391.A OG1 no hydrogen 3.102 N/A GLU 378.A N LYS 375.A O no hydrogen 3.360 N/A GLU 380.A N GLU 377.A O no hydrogen 2.981 N/A PHE 381.A N GLU 377.A O no hydrogen 3.180 N/A ARG 382.A N GLU 378.A O no hydrogen 3.241 N/A ASN 383.A N GLU 380.A O no hydrogen 3.186 N/A ILE 384.A N GLU 380.A O no hydrogen 2.713 N/A MET 387.A N PHE 381.A O no hydrogen 2.763 N/A VAL 390.A N ILE 97.A O no hydrogen 2.849 N/A THR 391.A OG1 GLU 99.A OE2 no hydrogen 3.132 N/A ILE 392.A N GLU 99.A O no hydrogen 2.927 N/A THR 394.A OG1 ARG 396.A O no hydrogen 3.309 N/A ASN 395.A N GLU 104.A OE1 no hydrogen 3.140 N/A ARG 400.A NE ASP 402.A OD1 no hydrogen 2.709 N/A ARG 400.A NH2 ASP 402.A OD1 no hydrogen 2.852 N/A ASP 401.A N GLY 533.A O no hydrogen 3.022 N/A ARG 403.A N THR 535.A O no hydrogen 2.709 N/A LEU 406.A N PHE 537.A O no hydrogen 3.245 N/A ILE 407.A N ILE 569.A O no hydrogen 2.845 N/A TYR 408.A N LEU 539.A O no hydrogen 2.843 N/A THR 410.A OG1 ASP 565.A OD2 no hydrogen 3.019 N/A MET 411.A N GLU 542.A OE2 no hydrogen 3.300 N/A LYS 414.A N THR 410.A O no hydrogen 3.069 N/A LYS 414.A NZ THR 510.A O no hydrogen 2.728 N/A LYS 414.A NZ TYR 538.A O no hydrogen 3.505 N/A PHE 415.A N MET 411.A O no hydrogen 2.707 N/A LYS 416.A N GLU 412.A O no hydrogen 2.786 N/A ALA 417.A N GLY 413.A O no hydrogen 3.003 N/A VAL 418.A N LYS 414.A O no hydrogen 3.107 N/A VAL 418.A N PHE 415.A O no hydrogen 2.868 N/A ALA 419.A N PHE 415.A O no hydrogen 3.010 N/A GLU 420.A N LYS 416.A O no hydrogen 3.068 N/A ASP 421.A N ALA 417.A O no hydrogen 3.193 N/A VAL 422.A N VAL 418.A O no hydrogen 2.987 N/A ALA 423.A N ALA 419.A O no hydrogen 2.687 N/A GLN 424.A N GLU 420.A O no hydrogen 2.883 N/A ARG 425.A N ASP 421.A O no hydrogen 3.167 N/A ARG 425.A N VAL 422.A O no hydrogen 2.862 N/A ARG 425.A NE ASP 421.A OD1 no hydrogen 3.358 N/A ARG 425.A NH1 GLN 430.A OE1 no hydrogen 2.989 N/A TYR 426.A N VAL 422.A O no hydrogen 2.940 N/A MET 427.A N ALA 423.A O no hydrogen 3.409 N/A THR 428.A N GLN 424.A O no hydrogen 3.250 N/A THR 428.A OG1 GLN 424.A O no hydrogen 2.820 N/A THR 428.A OG1 ARG 425.A O no hydrogen 2.637 N/A GLY 429.A N TYR 426.A O no hydrogen 2.754 N/A GLN 430.A NE2 GLY 504.A O no hydrogen 2.876 N/A VAL 432.A N ALA 479.A O no hydrogen 2.955 N/A LEU 433.A N ALA 506.A O no hydrogen 2.919 N/A VAL 434.A N THR 481.A O no hydrogen 3.064 N/A THR 436.A N ALA 483.A O no hydrogen 3.428 N/A THR 441.A N ALA 438.A O no hydrogen 2.724 N/A SER 442.A N ALA 438.A O no hydrogen 2.704 N/A SER 442.A OG THR 484.A OG1 no hydrogen 3.341 N/A GLU 443.A N VAL 439.A O no hydrogen 2.882 N/A LEU 444.A N GLU 440.A O no hydrogen 3.311 N/A ILE 445.A N THR 441.A O no hydrogen 3.310 N/A SER 446.A N SER 442.A O no hydrogen 3.369 N/A SER 446.A OG GLU 443.A O no hydrogen 2.399 N/A SER 446.A OG GLU 443.A OE1 no hydrogen 3.240 N/A LYS 447.A N GLU 443.A O no hydrogen 3.097 N/A LEU 448.A N LEU 444.A O no hydrogen 3.031 N/A LEU 449.A N ILE 445.A O no hydrogen 3.025 N/A LEU 449.A N SER 446.A O no hydrogen 2.734 N/A LYS 450.A N SER 446.A O no hydrogen 2.677 N/A ASN 451.A N LYS 447.A O no hydrogen 2.845 N/A ASN 451.A ND2 LYS 447.A O no hydrogen 3.198 N/A GLY 453.A N LYS 450.A O no hydrogen 3.073 N/A ILE 454.A N LEU 449.A O no hydrogen 2.802 N/A HIS 456.A ND1 ILE 454.A O no hydrogen 3.079 N/A GLN 457.A N VAL 480.A O no hydrogen 2.639 N/A ALA 468.A N HIS 464.A O no hydrogen 3.106 N/A ALA 468.A N GLU 465.A O no hydrogen 3.290 N/A GLN 469.A N ARG 466.A O no hydrogen 2.893 N/A ILE 470.A N ARG 466.A O no hydrogen 3.071 N/A ILE 471.A N GLU 467.A O no hydrogen 2.916 N/A GLU 472.A N ALA 468.A O no hydrogen 3.336 N/A GLU 473.A N ILE 470.A O no hydrogen 3.083 N/A ALA 474.A N ILE 471.A O no hydrogen 3.128 N/A GLN 476.A N GLU 473.A O no hydrogen 3.254 N/A GLY 478.A N GLY 429.A O no hydrogen 2.677 N/A ALA 479.A N GLN 476.A O no hydrogen 3.098 N/A THR 481.A N VAL 432.A O no hydrogen 2.992 N/A THR 481.A OG1 VAL 432.A O no hydrogen 3.505 N/A ILE 482.A N GLN 457.A O no hydrogen 2.765 N/A ALA 483.A N VAL 434.A O no hydrogen 3.052 N/A THR 484.A N LEU 459.A O no hydrogen 2.923 N/A THR 484.A OG1 SER 442.A OG no hydrogen 3.341 N/A THR 484.A OG1 LEU 459.A O no hydrogen 2.517 N/A ASN 485.A N THR 436.A O no hydrogen 2.915 N/A ARG 489.A NH2 GLN 521.A OE1 no hydrogen 3.193 N/A THR 491.A N GLY 488.A O no hydrogen 3.413 N/A GLY 496.A N GLY 475.A O no hydrogen 2.542 N/A VAL 499.A N GLY 496.A O no hydrogen 2.886 N/A GLU 501.A N GLY 498.A O no hydrogen 3.216 N/A LEU 502.A N VAL 499.A O no hydrogen 2.917 N/A GLY 503.A N LYS 500.A O no hydrogen 2.877 N/A GLY 504.A N VAL 499.A O no hydrogen 3.251 N/A ALA 506.A N PRO 431.A O no hydrogen 3.086 N/A VAL 507.A N ILE 534.A O no hydrogen 2.927 N/A VAL 508.A N LEU 433.A O no hydrogen 2.983 N/A GLY 509.A N GLN 536.A O no hydrogen 2.986 N/A THR 510.A N GLY 435.A O no hydrogen 3.040 N/A THR 510.A OG1 GLY 435.A O no hydrogen 2.984 N/A ARG 512.A NE ASP 405.A OD1 no hydrogen 3.314 N/A ARG 512.A NE ASP 405.A OD2 no hydrogen 3.124 N/A ARG 512.A NH1 ASP 519.A OD1 no hydrogen 3.470 N/A ARG 512.A NH2 ASP 405.A OD2 no hydrogen 3.216 N/A HIS 513.A N ASP 519.A OD2 no hydrogen 2.780 N/A ARG 516.A NE GLU 586.A OE2 no hydrogen 3.493 N/A ARG 517.A NH2 ASP 215.A OD2 no hydrogen 2.427 N/A ASP 519.A N SER 515.A O no hydrogen 3.149 N/A ASN 520.A N ARG 516.A O no hydrogen 2.766 N/A GLN 521.A N ARG 517.A O no hydrogen 2.972 N/A GLN 521.A NE2 THR 373.A OG1 no hydrogen 3.061 N/A LEU 522.A N ILE 518.A O no hydrogen 3.158 N/A ARG 523.A N ASP 519.A O no hydrogen 3.472 N/A GLY 524.A N ASN 520.A O no hydrogen 2.731 N/A ARG 525.A N LEU 522.A O no hydrogen 3.083 N/A ARG 525.A NH1 ALA 487.A O no hydrogen 2.879 N/A ARG 525.A NH2 GLY 488.A O no hydrogen 2.889 N/A SER 526.A N ARG 523.A O no hydrogen 3.211 N/A SER 526.A OG LEU 505.A O no hydrogen 2.646 N/A ARG 528.A NE ASP 492.A OD2 no hydrogen 2.965 N/A GLY 530.A N GLY 527.A O no hydrogen 3.265 N/A ASP 531.A N ARG 528.A O no hydrogen 3.296 N/A THR 535.A N ASP 401.A O no hydrogen 2.959 N/A GLN 536.A N VAL 507.A O no hydrogen 3.083 N/A GLN 536.A NE2 PRO 404.A O no hydrogen 2.338 N/A GLN 536.A NE2 PHE 537.A O no hydrogen 3.550 N/A TYR 538.A N GLY 509.A O no hydrogen 2.949 N/A TYR 538.A OH ASP 421.A OD2 no hydrogen 2.948 N/A LEU 539.A N LEU 406.A O no hydrogen 3.060 N/A MET 541.A N TYR 408.A O no hydrogen 2.829 N/A GLU 542.A N SER 540.A OG no hydrogen 3.033 N/A ASP 543.A N SER 540.A O no hydrogen 3.441 N/A PHE 549.A N MET 546.A O no hydrogen 3.463 N/A GLY 550.A N ARG 547.A O no hydrogen 2.736 N/A ARG 560.A NH1 GLY 550.A O no hydrogen 3.045 N/A PHE 561.A N LEU 558.A O no hydrogen 3.234 N/A SER 566.A N ASP 564.A OD1 no hydrogen 3.063 N/A MET 573.A N SER 571.A OG no hydrogen 3.336 N/A SER 575.A N SER 571.A O no hydrogen 3.167 N/A SER 575.A OG ASP 405.A OD2 no hydrogen 3.002 N/A ARG 576.A N LYS 572.A O no hydrogen 2.577 N/A ALA 577.A N MET 573.A O no hydrogen 2.839 N/A VAL 578.A N VAL 574.A O no hydrogen 2.822 N/A GLU 579.A N SER 575.A O no hydrogen 3.088 N/A SER 580.A N ARG 576.A O no hydrogen 3.450 N/A SER 581.A N ALA 577.A O no hydrogen 3.366 N/A SER 581.A OG LEU 545.A O no hydrogen 3.418 N/A SER 581.A OG ALA 577.A O no hydrogen 3.492 N/A GLN 582.A N VAL 578.A O no hydrogen 2.849 N/A GLN 582.A NE2 ASP 519.A OD1 no hydrogen 2.680 N/A LYS 583.A N GLU 579.A O no hydrogen 2.761 N/A ARG 584.A N SER 580.A O no hydrogen 2.758 N/A VAL 585.A N SER 581.A O no hydrogen 2.835 N/A GLU 586.A N GLN 582.A O no hydrogen 2.743 N/A GLY 587.A N LYS 583.A O no hydrogen 2.953 N/A ASN 588.A N ARG 584.A O no hydrogen 3.353 N/A ASN 588.A ND2 ARG 584.A O no hydrogen 2.787 N/A ASN 589.A N VAL 585.A O no hydrogen 3.366 N/A PHE 590.A N GLU 586.A O no hydrogen 3.025 N/A ASP 591.A N GLY 587.A O no hydrogen 2.980 N/A SER 592.A N ASN 588.A O no hydrogen 2.872 N/A SER 592.A OG ASN 588.A O no hydrogen 3.073 N/A ARG 593.A N ASN 589.A O no hydrogen 3.097 N/A ARG 593.A NH1 GLU 380.A OE2 no hydrogen 2.646 N/A LYS 594.A N PHE 590.A O no hydrogen 2.690 N/A GLN 595.A N ASP 591.A O no hydrogen 2.896 N/A GLN 595.A NE2 SER 592.A O no hydrogen 3.571 N/A LEU 596.A N SER 592.A O no hydrogen 3.290 N/A LEU 597.A N ARG 593.A O no hydrogen 2.935 N/A GLN 598.A N LYS 594.A O no hydrogen 2.848 N/A TYR 599.A N GLN 595.A O no hydrogen 2.734 N/A TYR 599.A N LEU 596.A O no hydrogen 2.741 N/A ASP 600.A N LEU 596.A O no hydrogen 2.812 N/A ASP 601.A N LEU 597.A O no hydrogen 2.965 N/A VAL 602.A N TYR 599.A O no hydrogen 3.148 N/A LEU 603.A N TYR 599.A O no hydrogen 3.375 N/A ARG 604.A N ASP 600.A O no hydrogen 2.359 N/A GLN 605.A N ASP 601.A O no hydrogen 3.138 N/A GLN 606.A N VAL 602.A O no hydrogen 3.049 N/A GLN 606.A NE2 GLY 756.A O no hydrogen 2.713 N/A ARG 607.A N LEU 603.A O no hydrogen 2.556 N/A ARG 607.A NH1 ASP 600.A OD1 no hydrogen 3.448 N/A ARG 607.A NH1 ASP 600.A OD2 no hydrogen 3.356 N/A ARG 607.A NH2 ASP 600.A OD2 no hydrogen 3.203 N/A GLU 608.A N ARG 604.A O no hydrogen 2.916 N/A VAL 609.A N GLN 605.A O no hydrogen 3.462 N/A ILE 610.A N GLN 606.A O no hydrogen 3.408 N/A TYR 611.A N ARG 607.A O no hydrogen 2.908 N/A LYS 612.A N GLU 608.A O no hydrogen 3.077 N/A GLN 613.A N VAL 609.A O no hydrogen 3.127 N/A ARG 614.A N ILE 610.A O no hydrogen 2.753 N/A ARG 614.A NH2 VAL 190.A O no hydrogen 2.761 N/A PHE 615.A N TYR 611.A O no hydrogen 3.112 N/A VAL 617.A N GLN 613.A O no hydrogen 3.084 N/A ILE 618.A N ARG 614.A O no hydrogen 3.065 N/A ILE 618.A N PHE 615.A O no hydrogen 3.154 N/A ASP 619.A N PHE 615.A O no hydrogen 3.128 N/A SER 620.A OG VAL 617.A O no hydrogen 3.029 N/A GLU 628.A N ARG 624.A O no hydrogen 3.289 N/A ASN 629.A N GLU 625.A O no hydrogen 2.887 N/A MET 630.A N ILE 626.A O no hydrogen 2.971 N/A ILE 631.A N VAL 627.A O no hydrogen 2.574 N/A LYS 632.A N GLU 628.A O no hydrogen 3.157 N/A LYS 632.A NZ GLU 628.A O no hydrogen 3.300 N/A LYS 632.A NZ GLU 628.A OE2 no hydrogen 2.788 N/A SER 633.A N ASN 629.A O no hydrogen 2.812 N/A SER 633.A OG ASN 629.A O no hydrogen 3.206 N/A SER 634.A N MET 630.A O no hydrogen 3.189 N/A SER 634.A OG MET 630.A O no hydrogen 2.247 N/A LEU 635.A N ILE 631.A O no hydrogen 3.049 N/A GLU 636.A N LYS 632.A O no hydrogen 2.981 N/A ARG 637.A N SER 633.A O no hydrogen 3.318 N/A ALA 638.A N SER 634.A O no hydrogen 3.128 N/A ILE 639.A N LEU 635.A O no hydrogen 2.998 N/A ALA 640.A N GLU 636.A O no hydrogen 2.724 N/A ALA 641.A N ARG 637.A O no hydrogen 2.745 N/A TYR 642.A N ALA 638.A O no hydrogen 2.432 N/A THR 643.A N ILE 639.A O no hydrogen 3.281 N/A THR 643.A OG1 ILE 639.A O no hydrogen 3.345 N/A ARG 645.A NH2 THR 251.A O no hydrogen 2.693 N/A LEU 648.A N GLU 647.A OE1 no hydrogen 2.821 N/A ASP 659.A N ASP 655.A O no hydrogen 3.272 N/A LEU 660.A N GLY 656.A O no hydrogen 2.771 N/A ILE 661.A N LEU 657.A O no hydrogen 3.363 N/A ASN 662.A N VAL 658.A O no hydrogen 3.225 N/A THR 663.A N ASP 659.A O no hydrogen 2.967 N/A THR 663.A OG1 ASP 659.A O no hydrogen 3.291 N/A THR 664.A OG1 LEU 660.A O no hydrogen 2.672 N/A TYR 665.A N ILE 661.A O no hydrogen 2.924 N/A LEU 666.A N ILE 661.A O no hydrogen 2.927 N/A LYS 673.A NZ GLU 672.A OE1 no hydrogen 3.340 N/A MET 684.A N PRO 681.A O no hydrogen 2.893 N/A LEU 687.A N GLU 683.A O no hydrogen 3.213 N/A ILE 688.A N MET 684.A O no hydrogen 3.066 N/A MET 689.A N LEU 685.A O no hydrogen 3.035 N/A ASP 690.A N GLU 686.A O no hydrogen 2.729 N/A ARG 691.A N LEU 687.A O no hydrogen 3.443 N/A ILE 692.A N ILE 688.A O no hydrogen 3.079 N/A ILE 692.A N MET 689.A O no hydrogen 3.257 N/A ILE 693.A N MET 689.A O no hydrogen 2.547 N/A THR 694.A N ASP 690.A O no hydrogen 2.985 N/A THR 694.A OG1 ASP 690.A O no hydrogen 2.737 N/A TYR 696.A N ILE 692.A O no hydrogen 2.736 N/A ASN 697.A N ILE 693.A O no hydrogen 2.907 N/A GLU 698.A N THR 694.A O no hydrogen 3.015 N/A LYS 699.A N LYS 695.A O no hydrogen 2.557 N/A GLU 700.A N TYR 696.A O no hydrogen 2.683 N/A GLU 710.A N GLU 706.A O no hydrogen 2.504 N/A PHE 711.A N GLN 707.A O no hydrogen 2.651 N/A GLU 712.A N MET 708.A O no hydrogen 3.194 N/A LYS 713.A N ARG 709.A O no hydrogen 3.329 N/A VAL 714.A N GLU 710.A O no hydrogen 3.156 N/A ILE 715.A N PHE 711.A O no hydrogen 2.502 N/A VAL 716.A N GLU 712.A O no hydrogen 3.112 N/A ARG 718.A N VAL 714.A O no hydrogen 3.030 N/A ALA 719.A N ILE 715.A O no hydrogen 2.820 N/A VAL 720.A N VAL 716.A O no hydrogen 2.663 N/A ASP 721.A N LEU 717.A O no hydrogen 2.526 N/A SER 722.A N ARG 718.A O no hydrogen 3.138 N/A SER 722.A OG GLU 770.A OE1 no hydrogen 3.096 N/A SER 722.A OG GLU 770.A OE2 no hydrogen 2.700 N/A LYS 723.A N ARG 718.A O no hydrogen 3.340 N/A LYS 723.A N ALA 719.A O no hydrogen 3.180 N/A TRP 724.A N ALA 719.A O no hydrogen 3.306 N/A TRP 724.A N VAL 720.A O no hydrogen 3.333 N/A MET 725.A N VAL 720.A O no hydrogen 3.374 N/A HIS 727.A N LYS 723.A O no hydrogen 2.873 N/A ILE 728.A N TRP 724.A O no hydrogen 2.714 N/A ASP 729.A N MET 725.A O no hydrogen 3.250 N/A ALA 730.A N ASP 726.A O no hydrogen 3.015 N/A MET 731.A N HIS 727.A O no hydrogen 2.661 N/A ASP 732.A N ILE 728.A O no hydrogen 3.017 N/A GLN 733.A N ASP 729.A O no hydrogen 2.962 N/A LEU 734.A N ALA 730.A O no hydrogen 3.169 N/A ARG 735.A N MET 731.A O no hydrogen 2.965 N/A ARG 735.A NH2 THR 354.A OG1 no hydrogen 3.019 N/A GLN 736.A N ASP 732.A O no hydrogen 2.836 N/A THR 746.A OG1 GLN 595.A OE1 no hydrogen 3.330 N/A ASN 747.A N ALA 744.A O no hydrogen 3.132 N/A ARG 750.A N ASN 747.A O no hydrogen 2.407 N/A TYR 752.A N PRO 748.A O no hydrogen 2.470 N/A TYR 752.A OH MET 731.A O no hydrogen 3.395 N/A GLN 753.A N LEU 749.A O no hydrogen 3.106 N/A MET 754.A N ARG 750.A O no hydrogen 3.440 N/A GLU 755.A N GLU 751.A O no hydrogen 2.686 N/A GLY 756.A N TYR 752.A O no hydrogen 2.812 N/A PHE 757.A N GLN 753.A O no hydrogen 2.915 N/A ALA 758.A N MET 754.A O no hydrogen 3.141 N/A MET 759.A N GLU 755.A O no hydrogen 2.984 N/A PHE 760.A N GLY 756.A O no hydrogen 3.386 N/A GLU 761.A N PHE 757.A O no hydrogen 2.923 N/A HIS 762.A N ALA 758.A O no hydrogen 3.173 N/A MET 763.A N MET 759.A O no hydrogen 2.800 N/A ILE 764.A N PHE 760.A O no hydrogen 2.895 N/A GLU 765.A N GLU 761.A O no hydrogen 3.248 N/A SER 766.A N HIS 762.A O no hydrogen 2.664 N/A SER 766.A OG GLU 331.A OE2 no hydrogen 2.314 N/A SER 766.A OG GLU 770.A OE2 no hydrogen 3.521 N/A ILE 767.A N MET 763.A O no hydrogen 2.917 N/A GLU 768.A N ILE 764.A O no hydrogen 3.135 N/A ASP 769.A N GLU 765.A O no hydrogen 3.085 N/A GLU 770.A N SER 766.A O no hydrogen 3.107 N/A VAL 771.A N ILE 767.A O no hydrogen 3.154 N/A ALA 772.A N GLU 768.A O no hydrogen 3.414 N/A LYS 773.A N ASP 769.A O no hydrogen 2.974 N/A PHE 774.A N GLU 770.A O no hydrogen 3.275 N/A VAL 775.A N VAL 771.A O no hydrogen 3.168 N/A MET 776.A N ALA 772.A O no hydrogen 3.316 N/A LYS 777.A N PHE 774.A O no hydrogen 3.239 N/A