Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qhm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 1.A O no hydrogen 3.400 N/A THR 6.A N GLU 2.A O no hydrogen 2.925 N/A ALA 7.A N LYS 3.A O no hydrogen 2.966 N/A TRP 8.A N LEU 4.A O no hydrogen 2.726 N/A GLU 9.A N THR 6.A O no hydrogen 2.791 N/A PHE 11.A N TRP 8.A O no hydrogen 2.957 N/A THR 12.A N ASN 29.A OD1 no hydrogen 2.787 N/A THR 12.A OG1 LYS 28.A O no hydrogen 3.551 N/A TRP 16.A N ASP 24.A OD2 no hydrogen 2.977 N/A TRP 16.A NE1 THR 12.A O no hydrogen 2.730 N/A GLN 17.A N GLY 14.A O no hydrogen 3.276 N/A ASN 18.A N ASP 15.A O no hydrogen 3.077 N/A ASN 21.A N TYR 184.A OH no hydrogen 2.815 N/A ARG 23.A NE ASP 409.A OD1 no hydrogen 3.000 N/A ARG 23.A NH2 ASP 409.A OD1 no hydrogen 3.305 N/A ARG 23.A NH2 ASP 409.A OD2 no hydrogen 2.619 N/A PHE 25.A N ASN 21.A O no hydrogen 3.227 N/A ILE 26.A N VAL 22.A O no hydrogen 3.004 N/A GLN 27.A N ARG 23.A O no hydrogen 3.010 N/A GLN 27.A NE2 ASP 341.A OD2 no hydrogen 3.009 N/A LYS 28.A N ASP 24.A O no hydrogen 2.739 N/A LYS 28.A NZ ASP 24.A OD1 no hydrogen 3.224 N/A ASN 29.A N PHE 25.A O no hydrogen 3.009 N/A ASN 29.A N ILE 26.A O no hydrogen 3.342 N/A TYR 30.A OH THR 344.A O no hydrogen 2.438 N/A TYR 33.A N VAL 346.A O no hydrogen 2.831 N/A TYR 33.A OH ASP 36.A O no hydrogen 2.675 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.356 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 3.566 N/A LEU 40.A N GLU 37.A O no hydrogen 3.095 N/A THR 44.A OG1 GLU 300.A OE2 no hydrogen 3.561 N/A THR 48.A N THR 44.A O no hydrogen 2.709 N/A THR 48.A OG1 THR 44.A O no hydrogen 2.960 N/A THR 49.A N GLU 45.A O no hydrogen 2.852 N/A THR 49.A OG1 GLU 45.A O no hydrogen 2.619 N/A THR 49.A OG1 ALA 46.A O no hydrogen 2.642 N/A LEU 50.A N ALA 46.A O no hydrogen 2.729 N/A TRP 51.A N THR 47.A O no hydrogen 2.882 N/A ASP 52.A N THR 48.A O no hydrogen 2.965 N/A LYS 53.A N THR 49.A O no hydrogen 3.042 N/A VAL 54.A N LEU 50.A O no hydrogen 2.992 N/A MET 55.A N TRP 51.A O no hydrogen 2.711 N/A GLU 56.A N ASP 52.A O no hydrogen 3.154 N/A VAL 58.A N VAL 54.A O no hydrogen 3.135 N/A LYS 59.A N MET 55.A O no hydrogen 2.838 N/A LEU 60.A N GLU 56.A O no hydrogen 2.931 N/A GLU 61.A N GLY 57.A O no hydrogen 2.885 N/A ASN 62.A N VAL 58.A O no hydrogen 2.946 N/A ARG 63.A N LYS 59.A O no hydrogen 2.933 N/A THR 64.A N LEU 60.A O no hydrogen 2.919 N/A THR 64.A OG1 LEU 60.A O no hydrogen 2.574 N/A HIS 65.A N GLU 61.A O no hydrogen 2.432 N/A ASP 71.A N ARG 104.A O no hydrogen 3.070 N/A SER 76.A N LEU 106.A O no hydrogen 2.777 N/A SER 76.A OG THR 77.A O no hydrogen 3.468 N/A SER 76.A OG LYS 264.A O no hydrogen 2.550 N/A THR 77.A N SER 80.A OG no hydrogen 3.007 N/A THR 79.A N THR 77.A OG1 no hydrogen 3.208 N/A SER 80.A OG THR 77.A O no hydrogen 3.516 N/A SER 80.A OG HIS 81.A ND1 no hydrogen 2.895 N/A HIS 81.A ND1 SER 80.A OG no hydrogen 2.895 N/A HIS 81.A NE2 ASP 71.A OD2 no hydrogen 2.939 N/A GLY 84.A N TYR 237.A OH no hydrogen 2.783 N/A ILE 86.A N GLU 91.A OE2 no hydrogen 2.644 N/A ASN 87.A N GLU 91.A OE2 no hydrogen 3.148 N/A LEU 90.A N ASN 87.A O no hydrogen 3.021 N/A GLU 91.A N ASN 87.A O no hydrogen 3.290 N/A VAL 94.A N GLN 253.A OE1 no hydrogen 2.793 N/A LEU 96.A N TYR 237.A OH no hydrogen 3.305 N/A THR 98.A OG1 ALA 100.A O no hydrogen 2.932 N/A THR 98.A OG1 LYS 103.A O no hydrogen 2.740 N/A LYS 103.A N ALA 100.A O no hydrogen 3.094 N/A LYS 103.A NZ ASP 71.A OD1 no hydrogen 3.169 N/A LYS 103.A NZ GLU 99.A OE1 no hydrogen 2.747 N/A LYS 103.A NZ GLU 99.A OE2 no hydrogen 3.091 N/A ARG 104.A N ASP 69.A O no hydrogen 2.740 N/A ARG 104.A NH1 ASP 321.A OD1 no hydrogen 3.206 N/A ARG 104.A NH2 GLU 61.A OE2 no hydrogen 2.999 N/A GLY 111.A N PRO 108.A O no hydrogen 3.037 N/A GLU 116.A N ILE 112.A O no hydrogen 2.961 N/A GLY 117.A N LYS 113.A O no hydrogen 3.069 N/A SER 118.A N MET 114.A O no hydrogen 2.935 N/A SER 118.A OG MET 114.A O no hydrogen 3.013 N/A SER 118.A OG ARG 316.A O no hydrogen 2.598 N/A CYS 119.A N ILE 115.A O no hydrogen 2.914 N/A CYS 119.A SG ILE 115.A O no hydrogen 3.415 N/A LYS 120.A N GLU 116.A O no hydrogen 2.810 N/A ALA 121.A N GLY 117.A O no hydrogen 2.947 N/A TYR 122.A N SER 118.A O no hydrogen 2.878 N/A ASN 123.A N LYS 120.A O no hydrogen 2.894 N/A ARG 124.A N CYS 119.A O no hydrogen 2.736 N/A ARG 124.A NH1 ASP 69.A OD1 no hydrogen 2.662 N/A ASP 127.A N THR 72.A O no hydrogen 2.669 N/A MET 129.A N ASP 127.A OD1 no hydrogen 2.852 N/A LYS 131.A N ASP 127.A O no hydrogen 3.424 N/A LYS 131.A NZ GLU 116.A OE1 no hydrogen 3.438 N/A LYS 131.A NZ GLU 116.A OE2 no hydrogen 3.491 N/A LYS 132.A N PRO 128.A O no hydrogen 3.023 N/A ILE 133.A N MET 129.A O no hydrogen 2.764 N/A PHE 134.A N ILE 130.A O no hydrogen 3.101 N/A THR 135.A N LYS 132.A O no hydrogen 3.250 N/A THR 135.A OG1 LYS 131.A O no hydrogen 2.777 N/A GLU 136.A N LYS 132.A O no hydrogen 2.942 N/A TYR 137.A N ILE 133.A O no hydrogen 3.217 N/A ARG 138.A N ILE 133.A O no hydrogen 2.868 N/A ARG 138.A NE LYS 139.A O no hydrogen 3.136 N/A LYS 139.A NZ ASP 147.A OD2 no hydrogen 2.837 N/A HIS 141.A N PHE 109.A O no hydrogen 2.863 N/A HIS 141.A NE2 PRO 166.A O no hydrogen 3.009 N/A ASN 142.A N GLY 110.A O no hydrogen 2.758 N/A ASN 142.A ND2 ASP 167.A O no hydrogen 2.793 N/A GLN 143.A NE2 ASP 147.A OD2 no hydrogen 3.258 N/A GLY 144.A N THR 140.A O no hydrogen 2.937 N/A VAL 145.A N HIS 141.A O no hydrogen 2.955 N/A PHE 146.A N ASN 142.A O no hydrogen 3.011 N/A ASP 147.A N GLN 143.A O no hydrogen 3.077 N/A ASP 147.A N GLY 144.A O no hydrogen 3.330 N/A VAL 148.A N VAL 145.A O no hydrogen 2.814 N/A TYR 149.A N VAL 145.A O no hydrogen 2.899 N/A TYR 149.A OH ASP 167.A OD2 no hydrogen 2.613 N/A ILE 153.A N THR 150.A OG1 no hydrogen 3.073 N/A LEU 154.A N THR 150.A O no hydrogen 3.227 N/A ARG 155.A N PRO 151.A O no hydrogen 3.096 N/A ARG 155.A NH2 ASP 152.A OD2 no hydrogen 2.963 N/A CYS 156.A N ASP 152.A O no hydrogen 3.017 N/A CYS 156.A SG ASP 152.A O no hydrogen 3.617 N/A ARG 157.A N ILE 153.A O no hydrogen 2.971 N/A ARG 157.A NE ASP 167.A OD2 no hydrogen 2.999 N/A ARG 157.A NH2 ASP 167.A OD1 no hydrogen 3.438 N/A LYS 158.A N LEU 154.A O no hydrogen 3.060 N/A SER 159.A N ARG 155.A O no hydrogen 2.897 N/A SER 159.A OG ARG 155.A O no hydrogen 3.421 N/A SER 159.A OG CYS 156.A O no hydrogen 3.228 N/A SER 159.A OG TYR 441.A OH no hydrogen 3.385 N/A GLY 160.A N CYS 156.A O no hydrogen 2.887 N/A VAL 161.A N SER 159.A OG no hydrogen 3.406 N/A LEU 162.A N CYS 156.A O no hydrogen 3.520 N/A THR 163.A N ARG 432.A O no hydrogen 3.015 N/A ASP 167.A N LEU 165.A O no hydrogen 2.812 N/A GLY 170.A N ASN 267.A OD1 no hydrogen 2.743 N/A ARG 171.A N HIS 498.A NE2 no hydrogen 3.221 N/A ARG 171.A NE GLU 504.A OE2 no hydrogen 2.849 N/A ARG 171.A NH1 ASP 499.A OD1 no hydrogen 3.101 N/A ARG 171.A NH2 ASP 499.A OD1 no hydrogen 2.636 N/A ARG 171.A NH2 GLU 504.A OE1 no hydrogen 2.998 N/A ARG 171.A NH2 GLU 504.A OE2 no hydrogen 3.385 N/A ARG 173.A NH1 ARG 171.A O no hydrogen 3.091 N/A ASP 177.A N LEU 510.A O no hydrogen 3.078 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.291 N/A ARG 179.A NE ARG 275.A O no hydrogen 2.887 N/A ARG 179.A NH1 ASP 177.A OD1 no hydrogen 2.685 N/A ARG 179.A NH2 ASP 410.A OD2 no hydrogen 3.063 N/A ARG 180.A N ASP 177.A O no hydrogen 3.293 N/A ARG 180.A NE ASP 177.A OD2 no hydrogen 3.267 N/A ARG 180.A NH2 ASP 512.A OD1 no hydrogen 2.880 N/A LEU 183.A N ARG 179.A O no hydrogen 2.847 N/A TYR 184.A N ARG 180.A O no hydrogen 2.658 N/A TYR 184.A OH TRP 16.A O no hydrogen 2.705 N/A TYR 184.A OH GLU 19.A O no hydrogen 2.636 N/A GLY 185.A N VAL 181.A O no hydrogen 2.757 N/A ILE 186.A N ILE 241.A O no hydrogen 2.990 N/A ASP 187.A N SER 242.A O no hydrogen 2.970 N/A LEU 189.A N GLY 185.A O no hydrogen 3.341 N/A MET 190.A N ILE 186.A O no hydrogen 2.760 N/A LYS 191.A N ASP 187.A O no hydrogen 3.019 N/A ASP 192.A N TYR 188.A O no hydrogen 3.099 N/A LYS 193.A N LEU 189.A O no hydrogen 3.065 N/A LYS 193.A NZ GLN 196.A OE1 no hydrogen 2.732 N/A LYS 193.A NZ HIS 511.A O no hydrogen 3.083 N/A LEU 194.A N MET 190.A O no hydrogen 3.189 N/A LEU 194.A N LYS 191.A O no hydrogen 3.073 N/A ALA 195.A N LYS 191.A O no hydrogen 3.133 N/A ALA 195.A N ASP 192.A O no hydrogen 3.092 N/A GLN 196.A N ASP 192.A O no hydrogen 3.017 N/A PHE 197.A N LYS 193.A O no hydrogen 2.775 N/A THR 198.A N LEU 194.A O no hydrogen 3.051 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.898 N/A SER 199.A N ALA 195.A O no hydrogen 2.880 N/A SER 199.A OG ALA 195.A O no hydrogen 3.493 N/A SER 199.A OG GLN 196.A O no hydrogen 2.561 N/A LEU 200.A N PHE 197.A O no hydrogen 3.072 N/A GLN 201.A N THR 198.A O no hydrogen 2.986 N/A LEU 204.A N LEU 200.A O no hydrogen 3.033 N/A GLU 205.A N GLN 201.A O no hydrogen 2.948 N/A ASN 206.A N ALA 202.A O no hydrogen 2.828 N/A GLY 207.A N LEU 204.A O no hydrogen 3.230 N/A VAL 208.A N ASP 203.A O no hydrogen 3.112 N/A THR 213.A N ASN 209.A O no hydrogen 2.879 N/A THR 213.A OG1 VAL 208.A O no hydrogen 3.293 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.888 N/A ILE 214.A N LEU 210.A O no hydrogen 2.888 N/A ARG 215.A N GLU 211.A O no hydrogen 3.224 N/A LEU 216.A N GLN 212.A O no hydrogen 2.960 N/A ARG 217.A N THR 213.A O no hydrogen 2.968 N/A GLU 218.A N ILE 214.A O no hydrogen 2.967 N/A GLU 219.A N ARG 215.A O no hydrogen 2.827 N/A ILE 220.A N LEU 216.A O no hydrogen 2.890 N/A ALA 221.A N ARG 217.A O no hydrogen 2.889 N/A GLU 222.A N GLU 218.A O no hydrogen 3.047 N/A GLN 223.A N GLU 219.A O no hydrogen 2.954 N/A HIS 224.A N ILE 220.A O no hydrogen 2.867 N/A ARG 225.A N ALA 221.A O no hydrogen 2.856 N/A ARG 225.A NH1 GLU 222.A OE1 no hydrogen 2.764 N/A ALA 226.A N GLU 222.A O no hydrogen 2.856 N/A LEU 227.A N GLN 223.A O no hydrogen 2.883 N/A GLY 228.A N HIS 224.A O no hydrogen 3.071 N/A GLN 229.A N ARG 225.A O no hydrogen 3.007 N/A MET 230.A N ALA 226.A O no hydrogen 2.928 N/A MET 230.A N LEU 227.A O no hydrogen 3.162 N/A LYS 231.A N GLY 228.A O no hydrogen 3.201 N/A LYS 231.A NZ ASP 187.A OD1 no hydrogen 3.237 N/A GLU 232.A N GLY 228.A O no hydrogen 3.395 N/A MET 233.A N GLN 229.A O no hydrogen 3.008 N/A ALA 234.A N MET 230.A O no hydrogen 2.978 N/A ALA 235.A N LYS 231.A O no hydrogen 2.660 N/A LYS 236.A N GLU 232.A O no hydrogen 3.193 N/A LYS 236.A NZ THR 79.A O no hydrogen 2.725 N/A LYS 236.A NZ HIS 81.A O no hydrogen 3.453 N/A TYR 237.A N ALA 234.A O no hydrogen 2.832 N/A GLY 238.A N ALA 235.A O no hydrogen 2.703 N/A TYR 239.A N ALA 234.A O no hydrogen 3.191 N/A SER 242.A N ASP 240.A OD1 no hydrogen 3.161 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.716 N/A SER 242.A OG ASP 240.A OD2 no hydrogen 3.348 N/A ALA 245.A N ALA 182.A O no hydrogen 3.019 N/A THR 246.A N GLU 250.A OE1 no hydrogen 2.572 N/A THR 246.A OG1 GLU 250.A OE1 no hydrogen 2.980 N/A ALA 248.A N ASP 287.A OD2 no hydrogen 2.877 N/A GLU 250.A N ASN 247.A OD1 no hydrogen 2.560 N/A ALA 251.A N ASN 247.A O no hydrogen 3.160 N/A ILE 252.A N ALA 248.A O no hydrogen 3.121 N/A GLN 253.A N GLN 249.A O no hydrogen 2.867 N/A GLN 253.A NE2 VAL 94.A O no hydrogen 2.783 N/A GLN 253.A NE2 GLN 253.A O no hydrogen 3.372 N/A TRP 254.A N GLU 250.A O no hydrogen 2.594 N/A TRP 254.A NE1 GLY 243.A O no hydrogen 3.104 N/A THR 255.A N ALA 251.A O no hydrogen 3.040 N/A THR 255.A OG1 ALA 251.A O no hydrogen 3.108 N/A TYR 256.A N ILE 252.A O no hydrogen 2.967 N/A TYR 256.A OH GLY 95.A O no hydrogen 2.724 N/A PHE 257.A N GLN 253.A O no hydrogen 2.919 N/A GLY 258.A N TRP 254.A O no hydrogen 3.011 N/A TYR 259.A N THR 255.A O no hydrogen 3.234 N/A LEU 260.A N TYR 256.A O no hydrogen 2.643 N/A ALA 261.A N PHE 257.A O no hydrogen 2.884 N/A ALA 262.A N GLY 258.A O no hydrogen 3.432 N/A VAL 263.A N TYR 259.A O no hydrogen 2.943 N/A LYS 264.A N ALA 261.A O no hydrogen 3.309 N/A LYS 264.A NZ LEU 96.A O no hydrogen 3.177 N/A LYS 264.A NZ GLN 97.A O no hydrogen 2.613 N/A SER 265.A N ALA 261.A O no hydrogen 3.210 N/A SER 265.A N ALA 262.A O no hydrogen 3.289 N/A SER 265.A OG ALA 261.A O no hydrogen 2.695 N/A SER 265.A OG ALA 262.A O no hydrogen 3.338 N/A SER 265.A OG SER 506.A OG no hydrogen 3.285 N/A GLN 266.A N ALA 262.A O no hydrogen 2.928 N/A GLN 266.A NE2 SER 502.A OG no hydrogen 3.174 N/A ALA 270.A N GLY 172.A O no hydrogen 2.759 N/A SER 272.A OG ILE 413.A O no hydrogen 2.506 N/A PHE 273.A N THR 332.A O no hydrogen 2.736 N/A GLY 274.A N THR 332.A O no hydrogen 2.923 N/A ARG 275.A NE TYR 411.A O no hydrogen 2.821 N/A ARG 275.A NH2 TYR 411.A O no hydrogen 3.549 N/A THR 276.A N GLU 333.A OE1 no hydrogen 2.929 N/A THR 276.A N GLU 333.A OE2 no hydrogen 2.868 N/A THR 276.A OG1 GLU 333.A OE1 no hydrogen 3.027 N/A SER 277.A N GLU 333.A OE2 no hydrogen 2.896 N/A SER 277.A OG GLU 333.A OE2 no hydrogen 2.960 N/A THR 278.A OG1 LEU 345.A O no hydrogen 2.460 N/A LEU 280.A N THR 276.A O no hydrogen 2.856 N/A ASP 281.A N SER 277.A O no hydrogen 2.927 N/A VAL 282.A N PHE 279.A O no hydrogen 3.123 N/A TYR 283.A N LEU 280.A O no hydrogen 2.860 N/A ILE 284.A N LEU 280.A O no hydrogen 3.029 N/A GLU 285.A N ASP 281.A O no hydrogen 2.934 N/A ARG 286.A N VAL 282.A O no hydrogen 3.340 N/A ARG 286.A NE GLU 9.A O no hydrogen 3.258 N/A ARG 286.A NH1 ALA 7.A O no hydrogen 3.398 N/A ARG 286.A NH2 ALA 7.A O no hydrogen 2.681 N/A ARG 286.A NH2 GLU 9.A O no hydrogen 2.974 N/A ASP 287.A N TYR 283.A O no hydrogen 3.222 N/A LEU 288.A N ILE 284.A O no hydrogen 2.971 N/A LEU 288.A N GLU 285.A O no hydrogen 3.080 N/A LYS 289.A N GLU 285.A O no hydrogen 2.936 N/A GLY 291.A N LEU 288.A O no hydrogen 2.741 N/A ILE 293.A N ASP 287.A O no hydrogen 3.052 N/A THR 294.A N GLU 297.A OE1 no hydrogen 2.716 N/A GLU 297.A N THR 294.A OG1 no hydrogen 2.713 N/A ALA 298.A N THR 294.A O no hydrogen 2.639 N/A GLN 299.A N GLU 295.A O no hydrogen 2.974 N/A GLN 299.A NE2 ARG 352.A O no hydrogen 3.018 N/A GLU 300.A N GLN 296.A O no hydrogen 2.974 N/A MET 301.A N GLU 297.A O no hydrogen 3.197 N/A VAL 302.A N ALA 298.A O no hydrogen 3.131 N/A ASP 303.A N GLN 299.A O no hydrogen 2.704 N/A HIS 304.A N GLU 300.A O no hydrogen 2.860 N/A HIS 304.A ND1 GLU 300.A O no hydrogen 2.588 N/A LEU 305.A N MET 301.A O no hydrogen 2.724 N/A VAL 306.A N VAL 302.A O no hydrogen 2.834 N/A MET 307.A N ASP 303.A O no hydrogen 2.983 N/A LYS 308.A N HIS 304.A O no hydrogen 3.036 N/A LYS 308.A NZ GLU 91.A OE1 no hydrogen 2.910 N/A LYS 308.A NZ ILE 93.A O no hydrogen 3.199 N/A LEU 309.A N LEU 305.A O no hydrogen 3.123 N/A ARG 310.A N VAL 306.A O no hydrogen 2.778 N/A ARG 310.A N MET 307.A O no hydrogen 2.872 N/A ARG 310.A NH1 MET 360.A O no hydrogen 3.104 N/A ARG 310.A NH2 GLY 361.A O no hydrogen 2.840 N/A MET 311.A N LYS 308.A O no hydrogen 2.523 N/A ARG 313.A NE VAL 312.A O no hydrogen 3.348 N/A ARG 313.A NH1 GLU 61.A OE2 no hydrogen 2.890 N/A ARG 313.A NH2 ARG 310.A O no hydrogen 2.867 N/A ARG 316.A NH1 ASN 267.A O no hydrogen 3.100 N/A ARG 316.A NH2 ASN 267.A O no hydrogen 2.996 N/A THR 317.A OG1 GLU 319.A OE2 no hydrogen 3.316 N/A TYR 320.A N THR 317.A O no hydrogen 2.988 N/A ASP 321.A N PRO 318.A O no hydrogen 2.967 N/A TRP 330.A N ALA 269.A O no hydrogen 2.973 N/A ALA 331.A N GLU 365.A OE2 no hydrogen 3.173 N/A THR 332.A OG1 TRP 330.A O no hydrogen 2.757 N/A GLU 333.A N ASN 367.A O no hydrogen 3.124 N/A SER 334.A N GLY 274.A O no hydrogen 2.972 N/A ILE 335.A N THR 369.A O no hydrogen 3.030 N/A MET 338.A N ASP 399.A OD2 no hydrogen 2.646 N/A GLY 339.A N ARG 343.A O no hydrogen 2.890 N/A LEU 340.A N ASP 409.A OD2 no hydrogen 2.984 N/A GLY 342.A N GLY 339.A O no hydrogen 2.983 N/A ARG 343.A N ASP 341.A OD1 no hydrogen 2.940 N/A ARG 343.A NE ASP 341.A OD2 no hydrogen 2.771 N/A ARG 343.A NH2 GLN 27.A O no hydrogen 3.126 N/A ARG 343.A NH2 ASP 341.A OD2 no hydrogen 3.066 N/A THR 344.A OG1 GLY 337.A O no hydrogen 3.482 N/A LEU 345.A N GLY 337.A O no hydrogen 2.804 N/A VAL 346.A N THR 344.A OG1 no hydrogen 3.268 N/A THR 347.A N SER 350.A OG no hydrogen 2.697 N/A THR 347.A OG1 SER 350.A OG no hydrogen 3.219 N/A ASN 349.A N ASP 281.A OD2 no hydrogen 2.804 N/A ASN 349.A ND2 SER 277.A O no hydrogen 2.791 N/A SER 350.A N THR 347.A O no hydrogen 2.891 N/A SER 350.A OG THR 347.A O no hydrogen 3.077 N/A SER 350.A OG THR 347.A OG1 no hydrogen 3.219 N/A ARG 352.A N LYS 348.A O no hydrogen 3.038 N/A ARG 352.A NE GLU 295.A OE1 no hydrogen 3.328 N/A ARG 352.A NE GLU 295.A OE2 no hydrogen 3.423 N/A ARG 352.A NH1 ASP 281.A OD2 no hydrogen 3.121 N/A ARG 352.A NH1 ASN 349.A OD1 no hydrogen 2.916 N/A ARG 352.A NH2 GLU 295.A OE1 no hydrogen 3.405 N/A PHE 353.A N ASN 349.A O no hydrogen 2.715 N/A LEU 354.A N SER 350.A O no hydrogen 3.134 N/A ASN 355.A N PHE 351.A O no hydrogen 2.700 N/A THR 356.A N PHE 353.A O no hydrogen 3.117 N/A THR 356.A OG1 PHE 353.A O no hydrogen 2.831 N/A LEU 357.A N LEU 354.A O no hydrogen 2.973 N/A TYR 358.A N ASN 355.A O no hydrogen 2.742 N/A TYR 358.A OH ASP 390.A OD2 no hydrogen 2.700 N/A THR 359.A N ASN 355.A O no hydrogen 3.080 N/A THR 359.A OG1 ASP 303.A OD1 no hydrogen 2.487 N/A THR 359.A OG1 THR 356.A O no hydrogen 3.451 N/A MET 360.A N THR 356.A O no hydrogen 3.129 N/A GLY 361.A N TYR 358.A O no hydrogen 3.219 N/A ASN 367.A N GLU 365.A O no hydrogen 2.194 N/A ASN 367.A ND2 THR 332.A OG1 no hydrogen 2.522 N/A THR 369.A N GLU 333.A O no hydrogen 3.165 N/A ILE 370.A N GLN 395.A O no hydrogen 2.455 N/A LEU 371.A N ILE 335.A O no hydrogen 2.730 N/A TRP 372.A N GLU 397.A O no hydrogen 2.947 N/A SER 373.A OG ASP 400.A OD1 no hydrogen 2.598 N/A SER 373.A OG ASP 400.A OD2 no hydrogen 3.046 N/A GLU 374.A N ASP 400.A OD2 no hydrogen 2.688 N/A LYS 375.A N SER 373.A OG no hydrogen 3.352 N/A LEU 376.A N SER 373.A O no hydrogen 3.286 N/A LYS 381.A N PRO 377.A O no hydrogen 2.851 N/A LYS 381.A NZ GLU 374.A O no hydrogen 2.973 N/A LYS 381.A NZ GLU 374.A OE2 no hydrogen 3.500 N/A LYS 382.A N LEU 378.A O no hydrogen 2.673 N/A PHE 383.A N ASN 379.A O no hydrogen 2.921 N/A ALA 384.A N PHE 380.A O no hydrogen 2.930 N/A ALA 385.A N LYS 381.A O no hydrogen 3.068 N/A LYS 386.A N LYS 382.A O no hydrogen 2.704 N/A VAL 387.A N PHE 383.A O no hydrogen 2.575 N/A SER 388.A N ALA 384.A O no hydrogen 2.632 N/A SER 388.A OG ALA 384.A O no hydrogen 3.140 N/A SER 388.A OG TYR 396.A OH no hydrogen 2.578 N/A ILE 389.A N ALA 385.A O no hydrogen 2.997 N/A ASP 390.A N LYS 386.A O no hydrogen 2.858 N/A THR 391.A N VAL 387.A O no hydrogen 2.698 N/A THR 391.A OG1 VAL 387.A O no hydrogen 2.652 N/A SER 392.A N SER 388.A O no hydrogen 2.570 N/A SER 392.A OG SER 392.A O no hydrogen 2.652 N/A SER 393.A OG THR 391.A O no hydrogen 2.901 N/A GLN 395.A N MET 368.A O no hydrogen 2.965 N/A TYR 396.A OH SER 388.A OG no hydrogen 2.578 N/A GLU 397.A N ILE 370.A O no hydrogen 3.016 N/A ASP 399.A N TRP 372.A O no hydrogen 2.558 N/A LEU 401.A N ASN 398.A O no hydrogen 3.292 N/A MET 402.A N ASN 398.A O no hydrogen 3.326 N/A ARG 403.A N ASP 399.A O no hydrogen 2.864 N/A ARG 403.A NH2 ASP 400.A OD1 no hydrogen 2.456 N/A ASP 405.A N LEU 401.A O no hydrogen 3.132 N/A PHE 406.A N MET 402.A O no hydrogen 2.801 N/A ASN 408.A N ARG 403.A O no hydrogen 3.209 N/A ASP 410.A N ASN 408.A OD1 no hydrogen 2.586 N/A TYR 411.A OH ASP 399.A OD1 no hydrogen 2.800 N/A ALA 412.A N MET 420.A O no hydrogen 2.799 N/A ILE 413.A N SER 334.A OG no hydrogen 2.990 N/A MET 420.A N ALA 412.A O no hydrogen 3.116 N/A VAL 422.A N ASP 410.A O no hydrogen 3.144 N/A LYS 424.A N ILE 421.A O no hydrogen 2.956 N/A LYS 424.A NZ ASP 512.A OD2 no hydrogen 2.499 N/A MET 426.A N ILE 516.A O no hydrogen 2.881 N/A GLN 427.A NE2 THR 518.A OG1 no hydrogen 3.129 N/A PHE 428.A N THR 518.A O no hydrogen 2.808 N/A GLY 430.A N ALA 520.A O no hydrogen 2.823 N/A ARG 432.A N THR 163.A O no hydrogen 3.191 N/A ARG 432.A NH1 ILE 523.A O no hydrogen 3.512 N/A ALA 433.A N GLY 522.A O no hydrogen 2.937 N/A ASN 434.A N VAL 161.A O no hydrogen 2.549 N/A LEU 435.A N ALA 524.A O no hydrogen 2.982 N/A LYS 437.A NZ SER 159.A O no hydrogen 3.452 N/A THR 438.A N ASN 434.A O no hydrogen 3.021 N/A THR 438.A OG1 ASN 434.A O no hydrogen 2.627 N/A MET 439.A N LEU 435.A O no hydrogen 2.985 N/A LEU 440.A N ALA 436.A O no hydrogen 3.162 N/A TYR 441.A N LYS 437.A O no hydrogen 2.950 N/A TYR 441.A OH ASP 448.A OD2 no hydrogen 2.520 N/A ALA 442.A N THR 438.A O no hydrogen 3.008 N/A ILE 443.A N MET 439.A O no hydrogen 3.040 N/A ASN 444.A N LEU 440.A O no hydrogen 2.825 N/A GLY 446.A N TYR 441.A O no hydrogen 2.763 N/A VAL 447.A N ASN 444.A O no hydrogen 3.111 N/A ASP 448.A N MET 453.A O no hydrogen 3.102 N/A LYS 450.A NZ GLU 449.A OE1 no hydrogen 3.520 N/A LYS 450.A NZ GLU 449.A OE2 no hydrogen 2.725 N/A LEU 451.A N ASP 448.A OD1 no hydrogen 2.529 N/A MET 453.A N ASP 448.A O no hydrogen 3.381 N/A VAL 455.A N GLY 446.A O no hydrogen 3.037 N/A GLY 456.A N GLY 446.A O no hydrogen 3.381 N/A SER 459.A N GLY 445.A O no hydrogen 3.276 N/A ILE 462.A N ILE 443.A O no hydrogen 3.031 N/A LEU 467.A N VAL 541.A O no hydrogen 3.015 N/A VAL 472.A N ASN 468.A O no hydrogen 3.007 N/A MET 473.A N TYR 469.A O no hydrogen 2.931 N/A GLU 474.A N ASP 470.A O no hydrogen 3.167 N/A ARG 475.A N GLU 471.A O no hydrogen 2.960 N/A MET 476.A N VAL 472.A O no hydrogen 2.790 N/A ASP 477.A N MET 473.A O no hydrogen 2.779 N/A HIS 478.A N GLU 474.A O no hydrogen 3.309 N/A PHE 479.A N ARG 475.A O no hydrogen 2.997 N/A MET 480.A N MET 476.A O no hydrogen 2.924 N/A ASP 481.A N HIS 478.A O no hydrogen 3.174 N/A LEU 483.A N PHE 479.A O no hydrogen 2.985 N/A ALA 484.A N MET 480.A O no hydrogen 2.982 N/A LYS 485.A N ASP 481.A O no hydrogen 3.289 N/A GLN 486.A N TRP 482.A O no hydrogen 3.071 N/A TYR 487.A N LEU 483.A O no hydrogen 2.862 N/A ILE 488.A N ALA 484.A O no hydrogen 3.005 N/A THR 489.A N LYS 485.A O no hydrogen 2.907 N/A THR 489.A OG1 LYS 485.A O no hydrogen 2.675 N/A ALA 490.A N GLN 486.A O no hydrogen 2.889 N/A LEU 491.A N TYR 487.A O no hydrogen 2.995 N/A ASN 492.A N ILE 488.A O no hydrogen 2.837 N/A ASN 492.A ND2 HIS 589.A O no hydrogen 3.007 N/A ILE 493.A N THR 489.A O no hydrogen 3.093 N/A ILE 494.A N ALA 490.A O no hydrogen 2.821 N/A HIS 495.A N LEU 491.A O no hydrogen 3.046 N/A HIS 495.A ND1 LEU 491.A O no hydrogen 3.139 N/A TYR 496.A N ASN 492.A O no hydrogen 3.254 N/A TYR 496.A N ILE 493.A O no hydrogen 3.258 N/A MET 497.A N ILE 493.A O no hydrogen 3.069 N/A HIS 498.A N ILE 494.A O no hydrogen 2.937 N/A HIS 498.A ND1 HIS 498.A O no hydrogen 2.843 N/A ASP 499.A N HIS 495.A O no hydrogen 3.188 N/A LYS 500.A N TYR 496.A O no hydrogen 3.187 N/A LYS 500.A N MET 497.A O no hydrogen 3.013 N/A LYS 500.A NZ TYR 501.A OH no hydrogen 3.283 N/A TYR 501.A N MET 497.A O no hydrogen 2.796 N/A SER 502.A N HIS 498.A O no hydrogen 3.031 N/A TYR 503.A OH GLN 223.A OE1 no hydrogen 3.044 N/A GLU 504.A N GLU 504.A OE1 no hydrogen 2.474 N/A ALA 505.A N TYR 503.A O no hydrogen 2.690 N/A SER 506.A OG SER 265.A OG no hydrogen 3.285 N/A LEU 507.A N GLU 504.A O no hydrogen 2.974 N/A MET 508.A N GLU 504.A O no hydrogen 2.775 N/A ALA 509.A N ALA 505.A O no hydrogen 2.823 N/A LEU 510.A N LEU 507.A O no hydrogen 2.799 N/A HIS 511.A N MET 508.A O no hydrogen 3.219 N/A HIS 511.A ND1 LEU 507.A O no hydrogen 2.891 N/A ASP 512.A N GLY 423.A O no hydrogen 2.898 N/A ARG 513.A NE ASP 514.A OD1 no hydrogen 3.359 N/A ARG 513.A NE ASP 514.A OD2 no hydrogen 3.000 N/A ARG 513.A NH1 SER 199.A OG no hydrogen 2.558 N/A ARG 513.A NH2 ASP 514.A OD2 no hydrogen 2.542 N/A ILE 516.A N LYS 424.A O no hydrogen 3.147 N/A THR 518.A N MET 426.A O no hydrogen 3.258 N/A MET 519.A N ILE 595.A O no hydrogen 2.761 N/A ALA 520.A N PHE 428.A O no hydrogen 2.959 N/A CYS 521.A N THR 597.A O no hydrogen 2.776 N/A CYS 521.A SG MET 519.A O no hydrogen 3.245 N/A GLY 522.A N TYR 487.A OH no hydrogen 3.126 N/A ALA 524.A N ALA 433.A O no hydrogen 2.880 N/A ALA 529.A N GLY 525.A O no hydrogen 2.978 N/A ALA 530.A N LEU 526.A O no hydrogen 2.789 N/A ASP 531.A N SER 527.A O no hydrogen 2.870 N/A SER 532.A N VAL 528.A O no hydrogen 3.089 N/A SER 532.A OG VAL 528.A O no hydrogen 3.089 N/A LEU 533.A N ALA 529.A O no hydrogen 2.884 N/A SER 534.A N ALA 530.A O no hydrogen 2.793 N/A SER 534.A OG PRO 561.A O no hydrogen 2.761 N/A ALA 535.A N ASP 531.A O no hydrogen 2.875 N/A ILE 536.A N SER 532.A O no hydrogen 3.101 N/A LYS 537.A N LEU 533.A O no hydrogen 3.279 N/A LYS 537.A N SER 534.A O no hydrogen 2.686 N/A TYR 538.A N ALA 535.A O no hydrogen 3.426 N/A LYS 542.A N GLU 555.A O no hydrogen 3.017 N/A ILE 544.A N ASP 553.A O no hydrogen 2.912 N/A ARG 545.A NH2 ILE 462.A O no hydrogen 3.412 N/A ARG 545.A NH2 GLY 464.A O no hydrogen 2.564 N/A ASP 546.A N LEU 550.A O no hydrogen 2.982 N/A ASP 548.A N ASP 546.A OD1 no hydrogen 2.988 N/A GLY 549.A N ASP 546.A O no hydrogen 2.876 N/A LEU 550.A N ASP 546.A OD1 no hydrogen 2.656 N/A ILE 552.A N ILE 544.A O no hydrogen 2.875 N/A PHE 554.A N ASP 553.A OD1 no hydrogen 2.548 N/A GLU 555.A N LYS 542.A O no hydrogen 2.804 N/A GLU 557.A N LYS 540.A O no hydrogen 2.991 N/A PHE 563.A N ASP 531.A OD1 no hydrogen 2.765 N/A ASN 565.A ND2 GLN 562.A O no hydrogen 3.335 N/A ARG 569.A N ASP 567.A OD1 no hydrogen 2.940 N/A ARG 569.A NE ASP 567.A OD2 no hydrogen 2.633 N/A ASP 571.A N ASP 567.A O no hydrogen 3.498 N/A ASP 572.A N PRO 568.A O no hydrogen 2.899 N/A ALA 574.A N VAL 570.A O no hydrogen 3.151 N/A VAL 575.A N ASP 571.A O no hydrogen 3.005 N/A ASP 576.A N ASP 572.A O no hydrogen 2.821 N/A LEU 577.A N LEU 573.A O no hydrogen 2.818 N/A VAL 578.A N ALA 574.A O no hydrogen 2.995 N/A GLU 579.A N VAL 575.A O no hydrogen 3.039 N/A ARG 580.A N ASP 576.A O no hydrogen 2.919 N/A ARG 580.A NE ASP 576.A OD1 no hydrogen 3.088 N/A ARG 580.A NE ASP 576.A OD2 no hydrogen 3.031 N/A PHE 581.A N LEU 577.A O no hydrogen 3.102 N/A MET 582.A N VAL 578.A O no hydrogen 2.957 N/A LYS 583.A N GLU 579.A O no hydrogen 2.860 N/A LYS 584.A N ARG 580.A O no hydrogen 3.074 N/A LYS 584.A NZ ASP 477.A O no hydrogen 2.886 N/A LYS 584.A NZ ASP 477.A OD2 no hydrogen 3.327 N/A LYS 584.A NZ ASP 481.A OD1 no hydrogen 3.159 N/A ILE 585.A N PHE 581.A O no hydrogen 2.804 N/A GLN 586.A N MET 582.A O no hydrogen 2.810 N/A GLN 586.A NE2 PRO 596.A O no hydrogen 3.394 N/A LYS 587.A N LYS 584.A O no hydrogen 3.260 N/A LEU 588.A N ILE 585.A O no hydrogen 2.862 N/A THR 590.A OG1 ALA 594.A O no hydrogen 2.552 N/A TYR 591.A N ASN 492.A OD1 no hydrogen 2.711 N/A TYR 591.A OH ASP 499.A OD2 no hydrogen 2.758 N/A ARG 592.A NH1 GLU 219.A OE2 no hydrogen 3.007 N/A ARG 592.A NH1 ASP 499.A OD2 no hydrogen 2.862 N/A ARG 592.A NH2 GLU 219.A OE1 no hydrogen 2.733 N/A ARG 592.A NH2 GLU 219.A OE2 no hydrogen 3.431 N/A ASP 593.A N THR 590.A O no hydrogen 2.927 N/A ALA 594.A N TYR 591.A O no hydrogen 3.172 N/A ILE 595.A N ARG 517.A O no hydrogen 3.364 N/A THR 597.A N MET 519.A O no hydrogen 3.024 N/A GLN 598.A NE2 LEU 601.A O no hydrogen 2.773 N/A VAL 600.A N GLN 598.A OE1 no hydrogen 2.805 N/A LEU 601.A N GLN 598.A OE1 no hydrogen 2.950 N/A SER 605.A OG SER 605.A O no hydrogen 2.398 N/A