Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 52.A OD2 no hydrogen 2.422 N/A TRP 5.A N SER 32.A O no hydrogen 2.725 N/A CYS 6.A N ALA 53.A O no hydrogen 2.808 N/A CYS 6.A SG ALA 7.A O no hydrogen 3.983 N/A ALA 7.A N ILE 34.A O no hydrogen 2.681 N/A VAL 8.A N GLU 12.A OE1 no hydrogen 2.908 N/A GLU 12.A N SER 9.A O no hydrogen 3.125 N/A GLU 12.A N SER 9.A OG no hydrogen 2.768 N/A ALA 13.A N SER 9.A O no hydrogen 2.656 N/A THR 14.A N GLN 10.A O no hydrogen 2.945 N/A THR 14.A OG1 GLN 10.A O no hydrogen 3.274 N/A LYS 15.A N PRO 11.A O no hydrogen 3.475 N/A LYS 15.A NZ LEU 285.A O no hydrogen 2.389 N/A LYS 15.A NZ LEU 295.A O no hydrogen 2.957 N/A CYS 16.A N GLU 12.A O no hydrogen 2.956 N/A PHE 17.A N ALA 13.A O no hydrogen 2.641 N/A GLN 18.A N THR 14.A O no hydrogen 2.607 N/A TRP 19.A N LYS 15.A O no hydrogen 2.169 N/A GLN 20.A N CYS 16.A O no hydrogen 2.572 N/A ARG 21.A N PHE 17.A O no hydrogen 2.872 N/A ASN 22.A N GLN 18.A O no hydrogen 3.377 N/A ASN 22.A ND2 GLN 18.A O no hydrogen 2.581 N/A MET 23.A N GLN 20.A O no hydrogen 3.073 N/A LYS 25.A N ARG 21.A O no hydrogen 3.077 N/A ARG 27.A N ARG 24.A O no hydrogen 3.297 N/A GLY 28.A N MET 23.A O no hydrogen 2.810 N/A SER 32.A N VAL 3.A O no hydrogen 2.677 N/A ILE 34.A N TRP 5.A O no hydrogen 2.844 N/A LYS 35.A NZ ASP 37.A OD1 no hydrogen 3.362 N/A ARG 36.A N ALA 7.A O no hydrogen 2.977 N/A ARG 36.A NH1 LYS 35.A O no hydrogen 2.462 N/A ASP 37.A N GLN 41.A OE1 no hydrogen 2.502 N/A CYS 42.A N SER 38.A O no hydrogen 2.509 N/A CYS 42.A SG ALA 7.A O no hydrogen 3.419 N/A ILE 43.A N PRO 39.A O no hydrogen 2.351 N/A GLN 44.A N ILE 40.A O no hydrogen 2.781 N/A GLN 44.A N GLN 41.A O no hydrogen 2.994 N/A ALA 45.A N GLN 41.A O no hydrogen 2.762 N/A ILE 46.A N CYS 42.A O no hydrogen 3.318 N/A GLU 48.A N ALA 45.A O no hydrogen 3.108 N/A ARG 50.A N ALA 45.A O no hydrogen 2.604 N/A ASP 52.A N GLN 4.A O no hydrogen 2.615 N/A ALA 53.A N GLN 4.A O no hydrogen 3.202 N/A THR 55.A OG1 GLU 77.A OE2 no hydrogen 3.484 N/A LEU 56.A N ALA 251.A O no hydrogen 2.849 N/A GLY 59.A N ASP 57.A OD2 no hydrogen 2.939 N/A PHE 60.A N ASP 57.A O no hydrogen 2.950 N/A ILE 61.A N ASP 57.A O no hydrogen 2.698 N/A TYR 62.A N GLY 58.A O no hydrogen 3.297 N/A GLU 63.A N GLY 59.A O no hydrogen 3.485 N/A ALA 64.A N PHE 60.A O no hydrogen 2.798 N/A GLY 65.A N TYR 62.A O no hydrogen 2.765 N/A LEU 66.A N TYR 62.A O no hydrogen 3.267 N/A LEU 66.A N GLU 63.A O no hydrogen 2.797 N/A TYR 69.A OH GLN 44.A OE1 no hydrogen 3.063 N/A LYS 70.A N LEU 66.A O no hydrogen 2.969 N/A LYS 70.A NZ PRO 68.A O no hydrogen 2.909 N/A LEU 71.A N ALA 64.A O no hydrogen 2.657 N/A ARG 72.A N ALA 254.A O no hydrogen 2.865 N/A ARG 72.A NH1 ILE 311.A O no hydrogen 2.425 N/A ARG 72.A NH2 GLU 261.A OE1 no hydrogen 2.869 N/A ARG 72.A NH2 VAL 307.A O no hydrogen 2.819 N/A VAL 74.A N VAL 252.A O no hydrogen 2.844 N/A ALA 76.A N SER 305.A O no hydrogen 2.635 N/A GLU 77.A N HIS 250.A O no hydrogen 2.710 N/A VAL 78.A N GLY 303.A O no hydrogen 2.549 N/A TYR 79.A N ARG 86.A O no hydrogen 2.750 N/A TYR 79.A OH GLU 77.A OE1 no hydrogen 2.579 N/A THR 81.A N GLN 84.A O no hydrogen 3.131 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 3.054 N/A GLN 84.A N THR 81.A OG1 no hydrogen 2.701 N/A ARG 86.A N TYR 79.A O no hydrogen 2.665 N/A ARG 86.A NH1 HIS 88.A O no hydrogen 2.709 N/A ARG 86.A NH1 GLU 208.A OE2 no hydrogen 3.192 N/A ARG 86.A NH2 GLU 208.A OE2 no hydrogen 2.756 N/A TYR 89.A N VAL 247.A O no hydrogen 2.561 N/A TYR 89.A OH TYR 189.A OH no hydrogen 2.535 N/A TYR 89.A OH HIS 250.A NE2 no hydrogen 2.809 N/A TYR 90.A N GLU 208.A OE1 no hydrogen 3.060 N/A ALA 91.A N ALA 245.A O no hydrogen 2.700 N/A VAL 92.A N ILE 206.A O no hydrogen 2.836 N/A VAL 94.A N ALA 204.A O no hydrogen 2.713 N/A VAL 95.A N GLU 225.A O no hydrogen 3.366 N/A LYS 96.A NZ ARG 197.A O no hydrogen 3.143 N/A LYS 97.A N GLU 223.A O no hydrogen 2.563 N/A LYS 97.A NZ ASP 222.A O no hydrogen 2.494 N/A GLN 102.A N GLU 105.A OE1 no hydrogen 2.815 N/A ASN 104.A N ASN 104.A OD1 no hydrogen 2.145 N/A GLU 105.A N GLN 102.A O no hydrogen 3.016 N/A GLY 108.A N PHE 149.A O no hydrogen 2.321 N/A LEU 109.A N LEU 106.A O no hydrogen 2.829 N/A LYS 110.A N ASP 202.A OD2 no hydrogen 3.025 N/A LYS 110.A NZ ALA 200.A O no hydrogen 2.766 N/A SER 111.A N ALA 152.A O no hydrogen 3.386 N/A SER 111.A OG HIS 113.A NE2 no hydrogen 2.558 N/A SER 111.A OG SER 153.A OG no hydrogen 3.075 N/A CYS 112.A N VAL 203.A O no hydrogen 2.747 N/A HIS 113.A N CYS 154.A O no hydrogen 3.138 N/A HIS 113.A ND1 GLY 121.A O no hydrogen 2.592 N/A HIS 113.A NE2 SER 111.A OG no hydrogen 2.558 N/A LEU 116.A N PRO 156.A O no hydrogen 2.715 N/A THR 119.A N ASP 57.A OD2 no hydrogen 3.139 N/A THR 119.A OG1 ASP 57.A OD2 no hydrogen 3.062 N/A THR 119.A OG1 TYR 321.A OH no hydrogen 2.901 N/A TRP 122.A N ARG 118.A O no hydrogen 2.625 N/A ASN 123.A N ARG 118.A O no hydrogen 3.158 N/A ASN 123.A ND2 TYR 321.A OH no hydrogen 3.409 N/A VAL 124.A N THR 119.A O no hydrogen 2.646 N/A ILE 126.A N TRP 122.A O no hydrogen 2.731 N/A GLY 127.A N ASN 123.A O no hydrogen 3.232 N/A THR 128.A N VAL 124.A O no hydrogen 2.956 N/A THR 128.A OG1 VAL 124.A O no hydrogen 2.561 N/A LEU 129.A N PRO 125.A O no hydrogen 2.893 N/A ARG 130.A NH1 LYS 330.A O no hydrogen 3.385 N/A ARG 130.A NH2 LYS 330.A O no hydrogen 2.564 N/A PHE 132.A N LEU 129.A O no hydrogen 3.031 N/A LEU 133.A N ARG 130.A O no hydrogen 2.714 N/A TRP 135.A NE1 GLU 140.A O no hydrogen 2.088 N/A GLU 140.A N GLY 137.A O no hydrogen 2.971 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.739 N/A ALA 144.A N PRO 141.A O no hydrogen 2.838 N/A VAL 146.A N ILE 142.A O no hydrogen 2.955 N/A ALA 147.A N GLU 143.A O no hydrogen 2.795 N/A ARG 148.A N ALA 145.A O no hydrogen 3.271 N/A ARG 148.A NH2 GLU 140.A OE2 no hydrogen 2.762 N/A PHE 149.A N VAL 146.A O no hydrogen 2.780 N/A PHE 150.A N VAL 146.A O no hydrogen 2.992 N/A SER 151.A N GLY 108.A O no hydrogen 2.966 N/A SER 151.A N LEU 109.A O no hydrogen 3.011 N/A SER 151.A OG GLY 108.A O no hydrogen 2.245 N/A SER 153.A N ASN 165.A O no hydrogen 2.636 N/A SER 153.A OG SER 111.A OG no hydrogen 3.075 N/A CYS 154.A N SER 111.A O no hydrogen 3.185 N/A GLY 157.A N CYS 178.A O no hydrogen 2.899 N/A ALA 158.A N VAL 155.A O no hydrogen 2.458 N/A LYS 160.A NZ LYS 177.A O no hydrogen 3.161 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 2.578 N/A PHE 163.A N ASP 159.A O no hydrogen 2.439 N/A ASN 165.A ND2 ALA 147.A O no hydrogen 2.884 N/A LEU 166.A N PHE 163.A O no hydrogen 2.958 N/A CYS 167.A N PRO 164.A O no hydrogen 2.894 N/A CYS 167.A SG ALA 158.A O no hydrogen 3.419 N/A LEU 169.A N SER 153.A O no hydrogen 2.977 N/A CYS 170.A N CYS 167.A O no hydrogen 2.838 N/A ALA 171.A N GLU 184.A OE2 no hydrogen 2.694 N/A GLY 172.A N GLU 184.A OE1 no hydrogen 2.898 N/A ASN 176.A N THR 173.A O no hydrogen 2.836 N/A LYS 177.A N GLY 174.A O no hydrogen 2.925 N/A CYS 178.A N GLU 184.A OE1 no hydrogen 2.885 N/A CYS 178.A SG VAL 155.A O no hydrogen 3.624 N/A CYS 178.A SG ALA 158.A O no hydrogen 3.978 N/A CYS 178.A SG CYS 178.A O no hydrogen 2.610 N/A ALA 179.A N ASN 176.A O no hydrogen 3.264 N/A GLN 183.A N SER 181.A OG no hydrogen 2.843 N/A GLU 184.A N SER 181.A O no hydrogen 2.951 N/A TYR 186.A N GLU 184.A OE2 no hydrogen 3.103 N/A TYR 186.A OH ASP 198.A OD2 no hydrogen 2.580 N/A PHE 187.A N GLU 184.A O no hydrogen 2.934 N/A SER 188.A N THR 114.A O no hydrogen 3.257 N/A TYR 189.A OH HIS 250.A NE2 no hydrogen 2.457 N/A SER 190.A OG ASP 214.A OD1 no hydrogen 2.709 N/A SER 190.A OG ASP 214.A OD2 no hydrogen 2.805 N/A GLY 191.A N PHE 187.A O no hydrogen 2.851 N/A ALA 192.A N SER 188.A O no hydrogen 3.190 N/A PHE 193.A N SER 190.A O no hydrogen 3.118 N/A LYS 194.A N SER 190.A O no hydrogen 2.817 N/A LYS 194.A NZ ASP 198.A OD2 no hydrogen 3.116 N/A CYS 195.A N GLY 191.A O no hydrogen 2.583 N/A LEU 196.A N ALA 192.A O no hydrogen 3.215 N/A ARG 197.A N PHE 193.A O no hydrogen 2.623 N/A ASP 198.A N LYS 194.A O no hydrogen 2.491 N/A GLY 199.A N LEU 196.A O no hydrogen 2.970 N/A GLY 201.A N CYS 195.A O no hydrogen 3.308 N/A ASP 202.A N LYS 110.A O no hydrogen 2.816 N/A ALA 204.A N VAL 94.A O no hydrogen 2.982 N/A PHE 205.A N CYS 112.A O no hydrogen 3.076 N/A ILE 206.A N VAL 92.A O no hydrogen 2.987 N/A ARG 207.A NH2 TYR 79.A OH no hydrogen 3.152 N/A ARG 207.A NH2 TYR 189.A OH no hydrogen 3.095 N/A ARG 207.A NH2 HIS 250.A NE2 no hydrogen 2.964 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.567 N/A SER 209.A OG GLU 213.A OE2 no hydrogen 2.610 N/A PHE 212.A N SER 209.A O no hydrogen 2.656 N/A GLU 213.A N SER 209.A O no hydrogen 3.000 N/A ASP 214.A N THR 210.A O no hydrogen 3.043 N/A LEU 215.A N VAL 211.A O no hydrogen 2.969 N/A SER 216.A OG GLU 220.A OE1 no hydrogen 3.483 N/A SER 216.A OG GLU 220.A OE2 no hydrogen 2.694 N/A ASP 217.A N GLU 220.A OE2 no hydrogen 2.846 N/A ALA 219.A N ASP 217.A OD1 no hydrogen 2.366 N/A GLU 220.A N ASP 217.A O no hydrogen 2.635 N/A ARG 221.A N ASP 217.A O no hydrogen 2.928 N/A ARG 221.A NE LEU 215.A O no hydrogen 2.651 N/A ARG 221.A NH2 LEU 215.A O no hydrogen 2.775 N/A ASP 222.A N GLU 218.A O no hydrogen 3.057 N/A ASP 222.A N ALA 219.A O no hydrogen 3.267 N/A GLU 223.A N GLU 220.A O no hydrogen 2.967 N/A TYR 224.A N ARG 221.A O no hydrogen 3.036 N/A GLU 225.A N VAL 95.A O no hydrogen 2.867 N/A LEU 226.A N LYS 234.A O no hydrogen 2.778 N/A LEU 227.A N ALA 93.A O no hydrogen 2.940 N/A CYS 228.A N THR 232.A O no hydrogen 2.376 N/A CYS 228.A SG LEU 226.A O no hydrogen 3.879 N/A CYS 228.A SG THR 232.A O no hydrogen 2.871 N/A CYS 228.A SG THR 232.A OG1 no hydrogen 3.444 N/A ASN 231.A N CYS 228.A O no hydrogen 3.107 N/A THR 232.A OG1 ASP 230.A OD1 no hydrogen 2.638 N/A THR 232.A OG1 ASP 230.A OD2 no hydrogen 3.262 N/A ARG 233.A NE GLU 225.A OE2 no hydrogen 3.202 N/A ARG 233.A NH1 PHE 101.A O no hydrogen 3.115 N/A ARG 233.A NH2 LYS 96.A O no hydrogen 3.071 N/A ARG 233.A NH2 GLU 225.A OE2 no hydrogen 2.983 N/A LYS 234.A N LEU 226.A O no hydrogen 3.255 N/A LYS 238.A N PRO 235.A O no hydrogen 2.842 N/A ASP 241.A N LYS 238.A O no hydrogen 2.627 N/A CYS 242.A N LYS 238.A O no hydrogen 2.469 N/A CYS 242.A N PHE 239.A O no hydrogen 2.682 N/A HIS 243.A ND1 PHE 239.A O no hydrogen 2.990 N/A LEU 244.A N ALA 91.A O no hydrogen 2.630 N/A ALA 245.A N ALA 91.A O no hydrogen 3.291 N/A VAL 247.A N TYR 89.A O no hydrogen 2.544 N/A SER 249.A N THR 87.A O no hydrogen 3.229 N/A SER 249.A OG GLU 77.A O no hydrogen 2.747 N/A SER 249.A OG HIS 250.A O no hydrogen 3.313 N/A HIS 250.A N TYR 79.A OH no hydrogen 3.174 N/A HIS 250.A NE2 TYR 89.A OH no hydrogen 2.809 N/A HIS 250.A NE2 TYR 189.A OH no hydrogen 2.457 N/A ALA 251.A N LEU 56.A O no hydrogen 3.268 N/A VAL 252.A N ALA 75.A O no hydrogen 2.879 N/A VAL 253.A N VAL 54.A O no hydrogen 2.672 N/A ALA 254.A N ARG 72.A O no hydrogen 2.658 N/A ARG 255.A NH2 ALA 51.A O no hydrogen 3.465 N/A SER 256.A OG LYS 70.A O no hydrogen 2.577 N/A LYS 260.A NZ SER 2.A O no hydrogen 3.015 N/A LYS 260.A NZ ASP 52.A OD1 no hydrogen 3.108 N/A LYS 260.A NZ ASP 52.A OD2 no hydrogen 3.280 N/A ILE 264.A N LYS 260.A O no hydrogen 3.041 N/A TRP 265.A N GLU 261.A O no hydrogen 2.670 N/A ASN 266.A N ASP 262.A O no hydrogen 2.572 N/A LEU 267.A N ALA 263.A O no hydrogen 2.503 N/A LEU 268.A N ILE 264.A O no hydrogen 2.805 N/A ARG 269.A N TRP 265.A O no hydrogen 2.816 N/A GLN 270.A N ASN 266.A O no hydrogen 3.312 N/A GLN 270.A NE2 ASN 266.A OD1 no hydrogen 3.167 N/A ALA 271.A N LEU 267.A O no hydrogen 2.868 N/A GLN 272.A N LEU 268.A O no hydrogen 2.670 N/A GLU 273.A N ARG 269.A O no hydrogen 2.998 N/A LYS 274.A N GLN 270.A O no hydrogen 2.789 N/A LYS 274.A NZ GLN 270.A O no hydrogen 3.428 N/A PHE 275.A N ALA 271.A O no hydrogen 2.962 N/A LYS 277.A NZ GLU 82.A OE1 no hydrogen 2.955 N/A LYS 279.A N GLY 276.A O no hydrogen 3.183 N/A LYS 279.A NZ LYS 277.A O no hydrogen 2.656 N/A LYS 282.A NZ SER 280.A OG no hydrogen 2.000 N/A PHE 283.A N SER 280.A O no hydrogen 2.686 N/A LEU 285.A N PHE 275.A O no hydrogen 3.247 N/A SER 288.A OG ASP 299.A OD1 no hydrogen 2.811 N/A SER 288.A OG ASP 299.A OD2 no hydrogen 3.424 N/A GLN 292.A N PRO 289.A O no hydrogen 3.111 N/A ASP 294.A N ASP 299.A OD2 no hydrogen 3.079 N/A LEU 295.A N SER 288.A OG no hydrogen 2.635 N/A LEU 296.A N GLU 12.A OE2 no hydrogen 3.286 N/A PHE 297.A N LEU 295.A O no hydrogen 2.594 N/A LYS 298.A NZ GLU 213.A OE2 no hydrogen 2.757 N/A LYS 298.A NZ ASP 294.A OD1 no hydrogen 3.472 N/A LYS 298.A NZ ASP 299.A O no hydrogen 3.028 N/A ASP 299.A N ASP 294.A OD1 no hydrogen 2.648 N/A SER 300.A N PHE 286.A O no hydrogen 3.023 N/A ALA 301.A N LYS 298.A O no hydrogen 3.228 N/A ILE 302.A N VAL 78.A O no hydrogen 2.645 N/A SER 305.A N ALA 76.A O no hydrogen 3.243 N/A SER 305.A OG ARG 306.A O no hydrogen 3.430 N/A VAL 307.A N VAL 74.A O no hydrogen 2.991 N/A ARG 310.A NH1 ARG 310.A O no hydrogen 2.865 N/A ARG 310.A NH2 ASP 376.A OD1 no hydrogen 3.350 N/A ILE 311.A N PRO 308.A O no hydrogen 2.819 N/A LEU 315.A N ASP 312.A OD1 no hydrogen 2.523 N/A TYR 316.A N ASP 312.A O no hydrogen 2.571 N/A TYR 316.A OH SER 249.A O no hydrogen 2.841 N/A LEU 317.A N SER 313.A O no hydrogen 2.691 N/A GLY 318.A N GLY 314.A O no hydrogen 3.343 N/A TYR 321.A OH THR 119.A OG1 no hydrogen 2.901 N/A PHE 322.A N GLY 318.A O no hydrogen 2.707 N/A THR 323.A N SER 319.A O no hydrogen 3.034 N/A THR 323.A OG1 SER 319.A O no hydrogen 2.678 N/A ALA 324.A N GLY 320.A O no hydrogen 3.119 N/A ILE 325.A N TYR 321.A O no hydrogen 3.063 N/A ILE 325.A N PHE 322.A O no hydrogen 3.192 N/A GLN 326.A N PHE 322.A O no hydrogen 3.503 N/A GLN 326.A NE2 THR 323.A O no hydrogen 3.686 N/A ASN 327.A N THR 323.A O no hydrogen 2.925 N/A LEU 328.A N ILE 325.A O no hydrogen 2.757 N/A ARG 329.A N GLN 326.A O no hydrogen 3.004 N/A GLU 334.A N SER 331.A OG no hydrogen 3.388 N/A VAL 335.A N SER 331.A O no hydrogen 3.070 N/A ALA 336.A N GLU 332.A O no hydrogen 3.068 N/A ALA 337.A N GLU 333.A O no hydrogen 2.778 N/A ARG 338.A N GLU 334.A O no hydrogen 3.136 N/A ARG 338.A NH1 ARG 338.A O no hydrogen 2.501 N/A ARG 338.A NH1 ASP 387.A OD2 no hydrogen 2.969 N/A ARG 338.A NH2 GLY 384.A O no hydrogen 3.110 N/A ARG 338.A NH2 ASP 387.A OD1 no hydrogen 2.976 N/A ARG 338.A NH2 ASP 387.A OD2 no hydrogen 2.904 N/A ARG 339.A N VAL 335.A O no hydrogen 3.382 N/A ALA 340.A N ALA 336.A O no hydrogen 3.356 N/A ALA 340.A N ALA 337.A O no hydrogen 3.256 N/A ARG 341.A N ALA 337.A O no hydrogen 3.265 N/A VAL 342.A N SER 365.A O no hydrogen 3.010 N/A VAL 343.A N ASP 387.A OD2 no hydrogen 3.253 N/A TRP 344.A N THR 367.A O no hydrogen 2.848 N/A CYS 345.A N ALA 388.A O no hydrogen 2.886 N/A ALA 346.A N SER 369.A O no hydrogen 3.133 N/A VAL 347.A N GLU 351.A OE1 no hydrogen 3.016 N/A GLY 348.A N ALA 371.A O no hydrogen 3.009 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.222 N/A LEU 352.A N GLY 348.A O no hydrogen 2.594 N/A ARG 353.A N GLU 349.A O no hydrogen 2.627 N/A LYS 354.A N GLN 350.A O no hydrogen 2.968 N/A LYS 354.A NZ LEU 630.A O no hydrogen 2.371 N/A LYS 354.A NZ GLN 632.A O no hydrogen 3.302 N/A LYS 354.A NZ LEU 638.A O no hydrogen 3.385 N/A CYS 355.A N GLU 351.A O no hydrogen 3.077 N/A ASN 356.A N LEU 352.A O no hydrogen 3.135 N/A GLN 357.A N ARG 353.A O no hydrogen 3.205 N/A TRP 358.A N CYS 355.A O no hydrogen 3.051 N/A TRP 358.A NE1 GLN 613.A OE1 no hydrogen 2.830 N/A SER 359.A N CYS 355.A O no hydrogen 2.954 N/A SER 359.A OG VAL 366.A O no hydrogen 2.933 N/A GLY 360.A N ASN 356.A O no hydrogen 2.843 N/A SER 362.A N SER 359.A O no hydrogen 2.840 N/A SER 362.A OG TRP 358.A O no hydrogen 3.368 N/A SER 362.A OG SER 359.A O no hydrogen 2.260 N/A SER 362.A OG VAL 366.A O no hydrogen 3.205 N/A SER 365.A OG SER 362.A O no hydrogen 3.057 N/A THR 367.A N VAL 342.A O no hydrogen 2.822 N/A SER 369.A N TRP 344.A O no hydrogen 2.637 N/A SER 370.A OG ALA 346.A O no hydrogen 3.443 N/A ALA 371.A N ALA 346.A O no hydrogen 2.839 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 3.122 N/A CYS 377.A N THR 373.A O no hydrogen 3.180 N/A CYS 377.A N THR 374.A O no hydrogen 2.831 N/A CYS 377.A SG ALA 346.A O no hydrogen 3.517 N/A ILE 378.A N THR 374.A O no hydrogen 2.941 N/A ALA 379.A N GLU 375.A O no hydrogen 3.069 N/A LEU 380.A N ASP 376.A O no hydrogen 3.412 N/A VAL 381.A N CYS 377.A O no hydrogen 3.313 N/A LEU 382.A N ILE 378.A O no hydrogen 3.181 N/A LYS 383.A N ALA 379.A O no hydrogen 3.089 N/A LYS 383.A NZ ASP 312.A OD2 no hydrogen 3.362 N/A LYS 383.A NZ GLU 385.A OE2 no hydrogen 3.389 N/A GLY 384.A N VAL 381.A O no hydrogen 3.217 N/A ALA 386.A N LEU 380.A O no hydrogen 3.102 N/A SER 390.A OG GLU 410.A OE2 no hydrogen 3.110 N/A LEU 391.A N ALA 595.A O no hydrogen 2.776 N/A GLY 394.A N ASP 392.A OD2 no hydrogen 3.003 N/A TYR 395.A N ASP 392.A O no hydrogen 2.941 N/A VAL 396.A N ASP 392.A O no hydrogen 3.142 N/A TYR 397.A OH THR 669.A OG1 no hydrogen 3.280 N/A ALA 399.A N TYR 395.A O no hydrogen 2.869 N/A GLY 400.A N VAL 396.A O no hydrogen 2.801 N/A LYS 401.A N TYR 397.A O no hydrogen 2.788 N/A CYS 402.A N THR 398.A O no hydrogen 2.883 N/A CYS 402.A SG THR 398.A O no hydrogen 3.285 N/A GLY 403.A N GLY 400.A O no hydrogen 2.665 N/A LEU 404.A N ALA 399.A O no hydrogen 3.040 N/A VAL 405.A N SER 598.A O no hydrogen 2.783 N/A VAL 407.A N VAL 596.A O no hydrogen 2.776 N/A ALA 409.A N ALA 648.A O no hydrogen 3.022 N/A GLU 410.A N HIS 594.A O no hydrogen 2.891 N/A ASN 411.A N CYS 646.A O no hydrogen 2.733 N/A ASN 411.A ND2 CYS 424.A O no hydrogen 3.196 N/A ASN 411.A ND2 ARG 427.A O no hydrogen 3.095 N/A TYR 412.A OH GLU 410.A OE1 no hydrogen 2.360 N/A SER 414.A OG SER 417.A OG no hydrogen 2.742 N/A SER 414.A OG GLU 430.A OE1 no hydrogen 3.443 N/A SER 414.A OG GLU 430.A OE2 no hydrogen 3.427 N/A GLN 415.A N GLU 430.A OE1 no hydrogen 3.127 N/A SER 417.A N SER 414.A OG no hydrogen 2.863 N/A SER 417.A OG SER 414.A OG no hydrogen 2.742 N/A ASN 423.A N ASP 421.A OD1 no hydrogen 2.904 N/A ARG 427.A N CYS 424.A O no hydrogen 2.492 N/A ARG 427.A NE ASP 421.A OD2 no hydrogen 3.238 N/A ARG 427.A NH1 TYR 412.A O no hydrogen 3.248 N/A ARG 427.A NH2 ASP 421.A OD2 no hydrogen 3.263 N/A ARG 427.A NH2 GLU 645.A OE1 no hydrogen 2.444 N/A GLY 431.A N ASN 593.A OD1 no hydrogen 2.734 N/A TYR 432.A N ALA 591.A O no hydrogen 2.570 N/A TYR 432.A OH HIS 594.A NE2 no hydrogen 2.896 N/A ALA 434.A N ALA 589.A O no hydrogen 2.844 N/A VAL 435.A N VAL 542.A O no hydrogen 2.931 N/A VAL 437.A N ALA 540.A O no hydrogen 3.056 N/A VAL 438.A N ALA 569.A O no hydrogen 3.080 N/A ARG 439.A NH1 GLY 537.A O no hydrogen 2.763 N/A ARG 439.A NH2 ASP 442.A OD1 no hydrogen 3.495 N/A ARG 439.A NH2 ASP 538.A OD1 no hydrogen 3.067 N/A ARG 440.A N ASP 567.A O no hydrogen 2.699 N/A ASP 442.A N ARG 439.A O no hydrogen 3.002 N/A THR 443.A OG1 SER 441.A O no hydrogen 3.210 N/A LEU 445.A N ASP 442.A O no hydrogen 2.927 N/A THR 446.A N SER 449.A OG no hydrogen 3.213 N/A SER 449.A N THR 446.A O no hydrogen 3.304 N/A SER 449.A OG SER 444.A O no hydrogen 3.453 N/A VAL 450.A N TRP 447.A O no hydrogen 3.164 N/A LYS 451.A NZ GLN 476.A OE1 no hydrogen 3.014 N/A GLY 452.A N TYR 485.A O no hydrogen 2.873 N/A LYS 453.A N VAL 450.A O no hydrogen 3.045 N/A LYS 453.A NZ SER 449.A O no hydrogen 2.603 N/A LYS 453.A NZ LYS 451.A O no hydrogen 3.199 N/A LYS 454.A N ASP 538.A OD2 no hydrogen 3.461 N/A LYS 454.A NZ GLN 488.A OE1 no hydrogen 3.569 N/A SER 455.A OG HIS 457.A NE2 no hydrogen 2.702 N/A SER 455.A OG SER 489.A OG no hydrogen 2.560 N/A HIS 457.A N CYS 490.A O no hydrogen 2.456 N/A HIS 457.A ND1 GLY 465.A O no hydrogen 2.619 N/A HIS 457.A NE2 SER 455.A OG no hydrogen 2.702 N/A VAL 460.A N PRO 492.A O no hydrogen 3.041 N/A THR 463.A N ASP 392.A OD2 no hydrogen 2.635 N/A THR 463.A OG1 ASP 392.A OD2 no hydrogen 3.250 N/A THR 463.A OG1 TYR 664.A OH no hydrogen 2.672 N/A TRP 466.A N ARG 462.A O no hydrogen 3.191 N/A ASN 467.A N ARG 462.A O no hydrogen 2.948 N/A ASN 467.A ND2 TYR 664.A OH no hydrogen 2.878 N/A ILE 468.A N THR 463.A O no hydrogen 2.826 N/A LEU 472.A N ILE 468.A O no hydrogen 2.994 N/A LEU 472.A N PRO 469.A O no hydrogen 2.499 N/A LEU 473.A N PRO 469.A O no hydrogen 3.220 N/A THR 477.A OG1 LEU 473.A O no hydrogen 3.470 N/A GLY 478.A N PHE 474.A O no hydrogen 2.917 N/A SER 479.A N THR 477.A OG1 no hydrogen 2.893 N/A LYS 481.A N SER 479.A OG no hydrogen 2.964 N/A LYS 481.A NZ ASP 483.A OD1 no hydrogen 3.537 N/A LYS 481.A NZ GLU 484.A OE2 no hydrogen 3.358 N/A PHE 482.A N CYS 480.A O no hydrogen 2.951 N/A GLU 484.A N LYS 481.A O no hydrogen 3.108 N/A TYR 485.A OH SER 479.A O no hydrogen 2.480 N/A SER 487.A N GLY 452.A O no hydrogen 3.348 N/A SER 487.A N LYS 453.A O no hydrogen 2.979 N/A SER 489.A N ASN 499.A O no hydrogen 2.977 N/A SER 489.A OG SER 455.A OG no hydrogen 2.560 N/A CYS 490.A N SER 455.A O no hydrogen 3.253 N/A ALA 491.A N LEU 500.A O no hydrogen 3.162 N/A GLY 493.A N CYS 514.A O no hydrogen 2.736 N/A SER 494.A OG ALA 491.A O no hydrogen 2.811 N/A ARG 497.A N ASP 495.A OD1 no hydrogen 2.914 N/A SER 498.A N ASP 495.A O no hydrogen 3.129 N/A SER 498.A OG ASP 495.A O no hydrogen 2.413 N/A ASN 499.A ND2 ASP 483.A O no hydrogen 3.655 N/A CYS 501.A N SER 498.A O no hydrogen 3.413 N/A CYS 501.A SG SER 494.A O no hydrogen 3.119 N/A CYS 501.A SG ASP 495.A O no hydrogen 2.945 N/A ALA 502.A N ASN 499.A O no hydrogen 2.839 N/A LEU 503.A N SER 489.A O no hydrogen 2.907 N/A CYS 504.A N CYS 501.A O no hydrogen 3.456 N/A ILE 505.A N GLU 520.A OE2 no hydrogen 2.656 N/A GLY 506.A N GLU 520.A OE1 no hydrogen 2.797 N/A GLY 506.A N GLU 520.A OE2 no hydrogen 3.257 N/A ASP 507.A N GLU 511.A O no hydrogen 2.348 N/A GLN 509.A N ASP 507.A OD1 no hydrogen 3.233 N/A GLY 510.A N ASP 507.A O no hydrogen 2.437 N/A GLU 511.A N ASP 507.A OD1 no hydrogen 2.704 N/A LYS 513.A NZ GLY 510.A O no hydrogen 3.071 N/A CYS 514.A N GLU 520.A OE1 no hydrogen 2.609 N/A CYS 514.A SG ALA 491.A O no hydrogen 3.630 N/A CYS 514.A SG SER 494.A O no hydrogen 3.826 N/A ASN 517.A ND2 SER 372.A O no hydrogen 2.553 N/A SER 518.A OG GLN 350.A OE1 no hydrogen 3.241 N/A ASN 519.A N ASN 517.A OD1 no hydrogen 3.015 N/A ASN 519.A ND2 GLU 349.A OE1 no hydrogen 2.485 N/A GLU 520.A N ASN 517.A O no hydrogen 2.958 N/A ARG 521.A N GLY 506.A O no hydrogen 3.300 N/A ARG 521.A NE GLY 506.A O no hydrogen 3.286 N/A TYR 522.A N GLU 520.A OE2 no hydrogen 3.434 N/A TYR 522.A OH GLU 534.A OE1 no hydrogen 2.835 N/A TYR 523.A N GLU 520.A O no hydrogen 3.048 N/A GLY 524.A N THR 458.A O no hydrogen 3.130 N/A TYR 525.A OH HIS 594.A NE2 no hydrogen 3.207 N/A THR 526.A OG1 THR 635.A O no hydrogen 2.639 N/A ALA 528.A N GLY 524.A O no hydrogen 2.786 N/A PHE 529.A N TYR 525.A O no hydrogen 3.289 N/A ARG 530.A N THR 526.A O no hydrogen 2.886 N/A CYS 531.A N GLY 527.A O no hydrogen 3.177 N/A CYS 531.A N ALA 528.A O no hydrogen 3.038 N/A LEU 532.A N PHE 529.A O no hydrogen 3.014 N/A ALA 533.A N PHE 529.A O no hydrogen 3.029 N/A GLU 534.A N ARG 530.A O no hydrogen 3.090 N/A ASN 535.A N LEU 532.A O no hydrogen 2.556 N/A ALA 536.A N CYS 531.A O no hydrogen 2.810 N/A GLY 537.A N CYS 531.A O no hydrogen 2.871 N/A ASP 538.A N LYS 454.A O no hydrogen 3.061 N/A ALA 540.A N VAL 437.A O no hydrogen 2.942 N/A PHE 541.A N CYS 456.A O no hydrogen 3.023 N/A VAL 542.A N VAL 435.A O no hydrogen 3.357 N/A VAL 547.A N ASP 544.A O no hydrogen 3.046 N/A LEU 548.A N ASP 544.A O no hydrogen 3.344 N/A GLN 549.A N VAL 545.A O no hydrogen 2.781 N/A ASN 550.A N VAL 547.A O no hydrogen 2.834 N/A ASN 550.A ND2 THR 546.A O no hydrogen 3.069 N/A THR 551.A N LEU 548.A O no hydrogen 3.084 N/A THR 551.A OG1 VAL 547.A O no hydrogen 3.151 N/A ASP 552.A N LEU 563.A O no hydrogen 3.087 N/A ASN 554.A N THR 551.A O no hydrogen 3.273 N/A ASN 554.A ND2 LEU 548.A O no hydrogen 2.824 N/A ASN 555.A ND2 ASN 550.A OD1 no hydrogen 3.078 N/A TRP 559.A NE1 GLU 557.A OE2 no hydrogen 3.074 N/A ALA 560.A N GLU 557.A O no hydrogen 2.552 N/A LYS 561.A N ALA 558.A O no hydrogen 2.913 N/A LYS 561.A NZ ASP 562.A OD2 no hydrogen 2.437 N/A LEU 565.A N ASP 552.A OD1 no hydrogen 3.412 N/A ASP 567.A N LYS 564.A O no hydrogen 3.211 N/A PHE 568.A N LEU 565.A O no hydrogen 2.990 N/A ALA 569.A N VAL 438.A O no hydrogen 2.924 N/A LEU 570.A N LYS 578.A O no hydrogen 2.664 N/A LEU 571.A N ALA 436.A O no hydrogen 3.127 N/A CYS 572.A N LYS 576.A O no hydrogen 3.213 N/A GLY 575.A N CYS 572.A O no hydrogen 3.097 N/A LYS 576.A N ASP 574.A OD1 no hydrogen 2.301 N/A ARG 577.A NE LEU 445.A O no hydrogen 3.277 N/A ARG 577.A NH1 ARG 440.A O no hydrogen 2.815 N/A ARG 577.A NH2 ARG 439.A O no hydrogen 3.395 N/A LYS 578.A N LEU 570.A O no hydrogen 2.994 N/A LYS 578.A NZ SER 585.A O no hydrogen 3.194 N/A LYS 578.A NZ SER 585.A OG no hydrogen 3.058 N/A GLU 582.A N PRO 579.A O no hydrogen 2.701 N/A ALA 583.A N VAL 580.A O no hydrogen 3.048 N/A SER 585.A N GLU 582.A O no hydrogen 2.918 N/A SER 585.A OG GLU 582.A O no hydrogen 3.263 N/A CYS 586.A SG LEU 570.A O no hydrogen 3.568 N/A HIS 587.A ND1 ALA 583.A O no hydrogen 2.332 N/A ALA 591.A N TYR 432.A O no hydrogen 2.605 N/A ASN 593.A ND2 GLU 410.A O no hydrogen 2.872 N/A HIS 594.A N TYR 412.A OH no hydrogen 3.288 N/A HIS 594.A NE2 TYR 432.A OH no hydrogen 2.896 N/A ALA 595.A N LEU 391.A O no hydrogen 3.116 N/A VAL 596.A N LEU 408.A O no hydrogen 2.596 N/A VAL 597.A N MET 389.A O no hydrogen 2.970 N/A SER 598.A N VAL 405.A O no hydrogen 3.019 N/A SER 598.A OG ASP 387.A O no hydrogen 2.506 N/A SER 598.A OG ARG 599.A O no hydrogen 3.320 N/A ARG 599.A NE ASP 601.A OD1 no hydrogen 3.183 N/A ARG 599.A NE ASP 601.A OD2 no hydrogen 2.854 N/A ARG 599.A NH1 VAL 381.A O no hydrogen 2.849 N/A ARG 599.A NH1 ALA 386.A O no hydrogen 2.688 N/A ARG 599.A NH1 ASP 387.A OD1 no hydrogen 2.816 N/A ARG 599.A NH2 ASP 387.A OD1 no hydrogen 2.434 N/A ARG 599.A NH2 ASP 601.A OD1 no hydrogen 3.255 N/A LYS 602.A NZ ARG 338.A O no hydrogen 3.299 N/A LYS 602.A NZ ARG 339.A O no hydrogen 2.911 N/A LYS 602.A NZ ARG 341.A O no hydrogen 2.917 N/A VAL 603.A N MET 600.A O no hydrogen 3.445 N/A ARG 605.A NE ALA 340.A O no hydrogen 2.409 N/A ARG 605.A NH2 ALA 340.A O no hydrogen 2.693 N/A LEU 606.A N LYS 602.A O no hydrogen 3.177 N/A LYS 607.A N VAL 603.A O no hydrogen 2.750 N/A GLN 608.A N GLU 604.A O no hydrogen 3.214 N/A VAL 609.A N ARG 605.A O no hydrogen 2.940 N/A LEU 610.A N LEU 606.A O no hydrogen 2.930 N/A LEU 611.A N LYS 607.A O no hydrogen 2.631 N/A HIS 612.A N GLN 608.A O no hydrogen 2.815 N/A GLN 613.A N VAL 609.A O no hydrogen 2.858 N/A GLN 613.A NE2 HIS 612.A ND1 no hydrogen 3.022 N/A GLN 614.A N LEU 610.A O no hydrogen 3.040 N/A GLN 614.A NE2 LEU 647.A O no hydrogen 3.099 N/A ALA 615.A N HIS 612.A O no hydrogen 2.940 N/A LYS 616.A N GLN 613.A O no hydrogen 3.210 N/A PHE 617.A N GLN 613.A O no hydrogen 2.609 N/A GLY 618.A N GLN 614.A O no hydrogen 2.838 N/A GLY 621.A N GLY 618.A O no hydrogen 3.205 N/A SER 622.A N ALA 615.A O no hydrogen 2.959 N/A SER 622.A OG ASP 623.A OD1 no hydrogen 2.350 N/A CYS 624.A N GLY 621.A O no hydrogen 2.860 N/A CYS 624.A SG GLY 618.A O no hydrogen 3.089 N/A PHE 628.A N ASP 623.A O no hydrogen 2.691 N/A LEU 630.A N PHE 617.A O no hydrogen 2.361 N/A SER 633.A OG LEU 638.A O no hydrogen 3.415 N/A SER 633.A OG ASP 642.A OD1 no hydrogen 2.353 N/A ASN 637.A N ASP 642.A OD2 no hydrogen 3.094 N/A ASN 637.A ND2 THR 635.A O no hydrogen 3.280 N/A LEU 639.A N GLU 351.A OE2 no hydrogen 3.032 N/A PHE 640.A N LEU 638.A O no hydrogen 2.578 N/A ASN 641.A N GLU 410.A OE2 no hydrogen 3.150 N/A ASN 641.A ND2 GLU 410.A OE1 no hydrogen 2.648 N/A ASN 641.A ND2 HIS 594.A ND1 no hydrogen 3.643 N/A ASP 642.A N ASN 637.A OD1 no hydrogen 3.230 N/A THR 644.A N ASN 641.A O no hydrogen 2.759 N/A THR 644.A OG1 ASN 641.A O no hydrogen 2.265 N/A GLU 645.A N ASN 411.A O no hydrogen 2.424 N/A CYS 646.A N ASN 411.A O no hydrogen 3.282 N/A LEU 647.A N GLN 614.A OE1 no hydrogen 3.069 N/A ALA 648.A N ALA 409.A O no hydrogen 2.851 N/A ARG 649.A N VAL 425.A O no hydrogen 2.566 N/A ARG 649.A NE ASP 426.A OD1 no hydrogen 3.243 N/A ARG 649.A NH2 ASP 426.A OD1 no hydrogen 3.018 N/A THR 654.A OG1 GLY 652.A O no hydrogen 3.098 N/A THR 655.A OG1 GLU 657.A OE1 no hydrogen 3.179 N/A TYR 659.A N THR 655.A O no hydrogen 2.929 N/A TYR 659.A OH ASN 593.A O no hydrogen 2.556 N/A LEU 660.A N TYR 656.A O no hydrogen 3.122 N/A GLY 661.A N GLU 657.A O no hydrogen 2.949 N/A VAL 665.A N GLY 661.A O no hydrogen 2.574 N/A ALA 666.A N PRO 662.A O no hydrogen 2.830 N/A GLY 667.A N GLN 663.A O no hydrogen 2.938 N/A ILE 668.A N TYR 664.A O no hydrogen 2.976 N/A THR 669.A N VAL 665.A O no hydrogen 3.258 N/A THR 669.A OG1 TYR 397.A OH no hydrogen 3.280 N/A THR 669.A OG1 VAL 665.A O no hydrogen 2.953 N/A ASN 670.A N ALA 666.A O no hydrogen 3.090 N/A ASN 670.A ND2 ALA 666.A O no hydrogen 3.463 N/A LEU 671.A N GLY 667.A O no hydrogen 3.245 N/A LYS 672.A N ILE 668.A O no hydrogen 2.632 N/A LYS 672.A NZ ASP 461.A OD1 no hydrogen 3.178 N/A LYS 673.A N THR 669.A O no hydrogen 3.189 N/A LYS 673.A N ASN 670.A O no hydrogen 3.186 N/A CYS 674.A N LEU 671.A O no hydrogen 3.421 N/A SER 675.A N LYS 672.A O no hydrogen 3.133 N/A LEU 680.A N SER 677.A OG no hydrogen 3.408 N/A GLU 681.A N SER 677.A O no hydrogen 2.546 N/A ALA 682.A N PRO 678.A O no hydrogen 2.852 N/A CYS 683.A N LEU 679.A O no hydrogen 3.153 N/A CYS 683.A SG LEU 679.A O no hydrogen 3.593 N/A GLU 684.A N LEU 680.A O no hydrogen 3.018 N/A PHE 685.A N GLU 681.A O no hydrogen 3.139 N/A LEU 686.A N ALA 682.A O no hydrogen 2.896 N/A ARG 687.A N CYS 683.A O no hydrogen 2.924 N/A ARG 687.A N GLU 684.A O no hydrogen 3.255 N/A LYS 688.A N GLU 684.A O no hydrogen 3.457 N/A