Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 LYS 303.A O no hydrogen 2.734 N/A TYR 4.A OH PRO 498.A O no hydrogen 2.769 N/A ARG 5.A N GLN 2.A O no hydrogen 3.341 N/A ARG 5.A NH2 PRO 12.A O no hydrogen 2.659 N/A THR 6.A N GLN 11.A OE1 no hydrogen 2.916 N/A THR 6.A OG1 HIS 9.A O no hydrogen 3.419 N/A THR 6.A OG1 GLN 11.A OE1 no hydrogen 2.356 N/A GLY 7.A N ASP 477.A OD2 no hydrogen 2.830 N/A PHE 8.A N ASP 477.A OD1 no hydrogen 3.000 N/A HIS 9.A ND1 ASP 477.A OD1 no hydrogen 2.708 N/A HIS 9.A NE2 GLU 482.A OE2 no hydrogen 2.466 N/A ASN 15.A N GLY 304.A O no hydrogen 2.673 N/A TRP 16.A N GLY 40.A O no hydrogen 3.189 N/A TRP 16.A NE1 ASN 18.A OD1 no hydrogen 2.792 N/A MET 17.A N SER 306.A O no hydrogen 2.773 N/A ASN 18.A N GLN 35.A O no hydrogen 3.184 N/A ASN 21.A N PHE 33.A O no hydrogen 2.628 N/A ASN 21.A ND2 SER 79.A OG no hydrogen 3.164 N/A GLY 22.A N GLY 80.A O no hydrogen 3.114 N/A MET 24.A N HIS 31.A O no hydrogen 3.429 N/A TYR 26.A N ILE 29.A O no hydrogen 2.961 N/A TYR 26.A OH LEU 113.A O no hydrogen 2.708 N/A LYS 27.A NZ LEU 113.A O no hydrogen 3.267 N/A ILE 29.A N TYR 26.A O no hydrogen 3.006 N/A TYR 30.A N SER 53.A O no hydrogen 2.919 N/A TYR 30.A OH ASP 279.A OD1 no hydrogen 3.017 N/A TYR 30.A OH ASP 279.A OD2 no hydrogen 2.475 N/A HIS 31.A N MET 24.A O no hydrogen 3.010 N/A HIS 31.A ND1 HIS 50.A NE2 no hydrogen 3.004 N/A LEU 32.A N SER 51.A O no hydrogen 3.069 N/A PHE 33.A N ASN 21.A O no hydrogen 3.014 N/A TYR 34.A N ALA 49.A O no hydrogen 3.046 N/A GLN 35.A N ALA 19.A O no hydrogen 3.089 N/A GLN 35.A NE2 ASN 21.A OD1 no hydrogen 2.766 N/A GLN 35.A NE2 CYS 77.A O no hydrogen 3.109 N/A TRP 36.A N VAL 47.A O no hydrogen 2.777 N/A TRP 36.A NE1 LYS 14.A O no hydrogen 3.062 N/A ASN 37.A N TRP 16.A O no hydrogen 3.146 N/A ASN 37.A ND2 VAL 42.A O no hydrogen 2.789 N/A LYS 39.A N ASN 37.A OD1 no hydrogen 2.681 N/A GLY 40.A N ASN 37.A OD1 no hydrogen 2.747 N/A VAL 47.A N TRP 36.A O no hydrogen 2.983 N/A TRP 48.A N ILE 66.A O no hydrogen 2.936 N/A TRP 48.A NE1 TRP 78.A O no hydrogen 2.849 N/A ALA 49.A N TYR 34.A O no hydrogen 2.912 N/A HIS 50.A NE2 HIS 31.A ND1 no hydrogen 3.004 N/A SER 51.A N LEU 32.A O no hydrogen 2.952 N/A SER 51.A OG HIS 50.A O no hydrogen 3.312 N/A SER 51.A OG ASP 60.A O no hydrogen 3.317 N/A SER 51.A OG SER 534.A OG no hydrogen 3.308 N/A THR 52.A N ASP 60.A O no hydrogen 3.073 N/A THR 52.A OG1 HIS 62.A NE2 no hydrogen 2.790 N/A SER 53.A N TYR 30.A O no hydrogen 2.923 N/A SER 53.A OG ASN 58.A O no hydrogen 2.690 N/A ASP 55.A N SER 53.A OG no hydrogen 2.887 N/A LEU 56.A N SER 53.A OG no hydrogen 2.750 N/A ILE 57.A N ASP 55.A OD1 no hydrogen 2.788 N/A ASN 58.A N ASP 55.A OD1 no hydrogen 2.805 N/A ASN 58.A ND2 ASP 55.A OD2 no hydrogen 2.793 N/A TRP 59.A N GLN 532.A O no hydrogen 2.621 N/A TRP 59.A NE1 LEU 56.A O no hydrogen 3.051 N/A ASP 60.A N THR 52.A O no hydrogen 2.857 N/A HIS 62.A NE2 THR 52.A OG1 no hydrogen 2.790 N/A ALA 65.A N TRP 48.A O no hydrogen 2.962 N/A SER 69.A N ASP 73.A OD1 no hydrogen 3.044 N/A SER 69.A OG PHE 67.A O no hydrogen 3.158 N/A ALA 70.A N ASP 73.A OD1 no hydrogen 3.355 N/A ASP 73.A N ALA 70.A O no hydrogen 3.150 N/A ASN 75.A N ILE 97.A O no hydrogen 2.959 N/A ASN 75.A ND2 ASP 98.A O no hydrogen 2.686 N/A GLY 76.A N ASP 73.A O no hydrogen 3.021 N/A CYS 77.A N ILE 46.A O no hydrogen 3.310 N/A CYS 77.A SG ASP 73.A OD2 no hydrogen 3.316 N/A TRP 78.A N THR 95.A O no hydrogen 3.000 N/A SER 81.A N LEU 93.A O no hydrogen 2.833 N/A SER 81.A OG PRO 146.A O no hydrogen 2.677 N/A THR 83.A N VAL 91.A O no hydrogen 2.738 N/A LEU 85.A N LYS 89.A O no hydrogen 2.691 N/A GLY 88.A N LEU 85.A O no hydrogen 2.625 N/A LYS 89.A N ASN 87.A OD1 no hydrogen 3.223 N/A VAL 91.A N THR 83.A O no hydrogen 2.812 N/A ILE 92.A N ALA 108.A O no hydrogen 3.048 N/A LEU 93.A N SER 81.A O no hydrogen 2.954 N/A TYR 94.A N ASN 106.A O no hydrogen 2.798 N/A TYR 94.A OH ASP 73.A OD2 no hydrogen 2.594 N/A THR 95.A N SER 79.A O no hydrogen 3.122 N/A THR 95.A OG1 GLN 105.A OE1 no hydrogen 2.704 N/A GLY 96.A N VAL 104.A O no hydrogen 2.653 N/A ILE 97.A N GLY 76.A O no hydrogen 3.185 N/A ASP 98.A N GLN 102.A O no hydrogen 3.105 N/A LYS 100.A N ASP 98.A OD1 no hydrogen 2.868 N/A ASN 101.A N ASP 98.A O no hydrogen 2.857 N/A GLN 102.A N ASP 98.A OD1 no hydrogen 3.088 N/A GLN 103.A N ALA 140.A O no hydrogen 2.912 N/A GLN 103.A NE2 SER 141.A O no hydrogen 3.184 N/A VAL 104.A N GLY 96.A O no hydrogen 2.915 N/A GLN 105.A N MET 130.A O no hydrogen 2.590 N/A GLN 105.A NE2 PHE 143.A O no hydrogen 2.667 N/A ASN 106.A N TYR 94.A O no hydrogen 2.593 N/A ASN 106.A ND2 PHE 72.A O no hydrogen 2.703 N/A ILE 107.A N ASN 127.A OD1 no hydrogen 2.781 N/A ALA 108.A N ILE 92.A O no hydrogen 2.801 N/A GLU 109.A N LYS 122.A O no hydrogen 2.845 N/A LYS 111.A N GLU 120.A O no hydrogen 2.786 N/A SER 114.A N ASN 112.A OD1 no hydrogen 3.009 N/A ASP 115.A N ASN 112.A O no hydrogen 2.752 N/A TYR 117.A N ASP 115.A OD1 no hydrogen 3.173 N/A LEU 118.A N ASP 115.A O no hydrogen 3.438 N/A ARG 119.A N ASP 115.A OD2 no hydrogen 3.113 N/A TRP 121.A NE1 LEU 118.A O no hydrogen 2.892 N/A LYS 122.A N GLU 109.A O no hydrogen 2.551 N/A LYS 123.A NZ PHE 67.A O no hydrogen 2.643 N/A LYS 123.A NZ ASP 73.A OD2 no hydrogen 3.054 N/A LEU 126.A N SER 124.A OG no hydrogen 2.838 N/A ASN 127.A N SER 124.A O no hydrogen 3.325 N/A ASN 127.A ND2 ILE 107.A O no hydrogen 2.984 N/A ASN 127.A ND2 SER 124.A O no hydrogen 2.983 N/A LEU 129.A N GLN 105.A O no hydrogen 2.937 N/A MET 130.A N GLN 105.A O no hydrogen 3.316 N/A ASP 133.A N ASN 136.A OD1 no hydrogen 2.798 N/A ASN 136.A N ASP 133.A OD1 no hydrogen 2.596 N/A ASN 136.A ND2 ALA 131.A O no hydrogen 2.973 N/A GLY 137.A N ASP 133.A O no hydrogen 2.895 N/A ILE 138.A N ASN 136.A OD1 no hydrogen 2.970 N/A SER 141.A N ASN 139.A OD1 no hydrogen 2.850 N/A SER 142.A N ASN 139.A O no hydrogen 3.039 N/A PHE 143.A N GLN 103.A OE1 no hydrogen 2.823 N/A ARG 144.A N GLY 162.A O no hydrogen 3.029 N/A ARG 144.A NH1 GLN 103.A OE1 no hydrogen 2.966 N/A ARG 144.A NH1 SER 141.A O no hydrogen 3.187 N/A ARG 144.A NH2 GLU 199.A OE1 no hydrogen 2.931 N/A ASP 145.A N THR 95.A OG1 no hydrogen 2.885 N/A THR 147.A N ILE 160.A O no hydrogen 3.228 N/A THR 147.A OG1 THR 148.A O no hydrogen 2.929 N/A THR 148.A OG1 ALA 82.A O no hydrogen 2.817 N/A ALA 149.A N THR 83.A OG1 no hydrogen 2.838 N/A TRP 150.A N ARG 158.A O no hydrogen 2.995 N/A TRP 150.A NE1 TYR 247.A OH no hydrogen 2.778 N/A LEU 151.A N SER 217.A OG no hydrogen 3.054 N/A GLY 152.A N LYS 156.A O no hydrogen 3.001 N/A LYS 155.A N GLY 152.A O no hydrogen 3.057 N/A TRP 157.A N SER 176.A O no hydrogen 2.564 N/A ARG 158.A N TRP 150.A O no hydrogen 2.961 N/A ARG 158.A NE ASP 252.A OD1 no hydrogen 3.508 N/A ARG 158.A NE ASP 252.A OD2 no hydrogen 3.247 N/A ARG 158.A NH1 ASP 154.A OD1 no hydrogen 3.546 N/A ARG 158.A NH1 ASP 154.A OD2 no hydrogen 2.569 N/A ARG 158.A NH1 LYS 156.A O no hydrogen 2.785 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 2.879 N/A VAL 159.A N TYR 174.A O no hydrogen 3.044 N/A ILE 160.A N THR 147.A OG1 no hydrogen 3.367 N/A ILE 161.A N ILE 172.A O no hydrogen 2.903 N/A GLY 162.A N ARG 144.A O no hydrogen 2.926 N/A SER 163.A N LEU 170.A O no hydrogen 3.063 N/A SER 163.A OG SER 142.A O no hydrogen 2.501 N/A ILE 165.A N ARG 168.A O no hydrogen 2.898 N/A ARG 167.A NH2 ASP 236.A OD1 no hydrogen 2.949 N/A ARG 168.A NH1 ASP 193.A OD1 no hydrogen 2.641 N/A ARG 168.A NH1 ASP 193.A OD2 no hydrogen 3.298 N/A GLY 169.A N ASP 192.A O no hydrogen 3.149 N/A LEU 170.A N SER 163.A O no hydrogen 3.215 N/A ALA 171.A N HIS 190.A O no hydrogen 3.070 N/A ILE 172.A N ILE 161.A O no hydrogen 3.009 N/A TYR 174.A N VAL 159.A O no hydrogen 2.791 N/A THR 175.A N GLU 183.A O no hydrogen 3.029 N/A THR 175.A OG1 GLU 183.A O no hydrogen 3.298 N/A SER 176.A N TRP 157.A O no hydrogen 2.820 N/A SER 176.A OG LYS 181.A O no hydrogen 2.850 N/A ASP 178.A N SER 176.A OG no hydrogen 3.350 N/A PHE 179.A N SER 176.A OG no hydrogen 2.821 N/A LEU 180.A N ASP 178.A OD1 no hydrogen 3.237 N/A LYS 181.A N ASP 178.A OD1 no hydrogen 3.073 N/A GLU 183.A N THR 175.A O no hydrogen 2.960 N/A LYS 184.A NZ SER 185.A O no hydrogen 3.314 N/A SER 185.A N THR 173.A O no hydrogen 2.836 N/A LEU 189.A N ALA 171.A O no hydrogen 3.066 N/A ASP 192.A N GLY 169.A O no hydrogen 2.987 N/A SER 195.A OG ASP 192.A O no hydrogen 3.282 N/A SER 195.A OG GLY 196.A O no hydrogen 3.059 N/A GLY 196.A N ARG 167.A O no hydrogen 2.913 N/A TRP 198.A N SER 163.A O no hydrogen 3.376 N/A TRP 198.A NE1 SER 195.A OG no hydrogen 3.120 N/A GLU 199.A N SER 233.A O no hydrogen 2.732 N/A CYS 200.A N ASP 145.A OD2 no hydrogen 2.773 N/A CYS 200.A SG ASP 145.A OD2 no hydrogen 3.662 N/A ASP 202.A N LYS 231.A O no hydrogen 2.914 N/A PHE 204.A N VAL 229.A O no hydrogen 3.334 N/A VAL 206.A N LYS 227.A O no hydrogen 2.857 N/A ARG 208.A N ILE 225.A O no hydrogen 3.222 N/A ARG 208.A NH2 ARG 319.A O no hydrogen 2.920 N/A ARG 208.A NH2 SER 320.A O no hydrogen 3.329 N/A GLY 213.A N ASN 283.A O no hydrogen 2.828 N/A SER 217.A N GLU 215.A OE1 no hydrogen 2.777 N/A SER 218.A N GLU 215.A O no hydrogen 3.114 N/A GLU 224.A N GLU 221.A O no hydrogen 3.209 N/A LYS 227.A N VAL 206.A O no hydrogen 3.025 N/A LYS 227.A NZ ASP 257.A OD2 no hydrogen 2.396 N/A HIS 228.A N GLY 245.A O no hydrogen 2.641 N/A VAL 229.A N PHE 204.A O no hydrogen 3.057 N/A LEU 230.A N THR 243.A O no hydrogen 3.243 N/A LYS 231.A N ASP 202.A O no hydrogen 2.903 N/A LYS 231.A NZ CYS 200.A O no hydrogen 2.840 N/A LYS 231.A NZ SER 233.A OG no hydrogen 2.851 N/A LYS 231.A NZ ASP 240.A OD2 no hydrogen 3.360 N/A LYS 231.A NZ SER 274.A O no hydrogen 2.818 N/A ILE 232.A N TYR 241.A O no hydrogen 2.943 N/A SER 233.A N GLU 199.A O no hydrogen 2.731 N/A SER 233.A OG ASP 240.A OD1 no hydrogen 2.412 N/A LEU 234.A N HIS 239.A O no hydrogen 2.969 N/A ASP 235.A N MET 197.A O no hydrogen 3.225 N/A THR 237.A OG1 TYR 241.A OH no hydrogen 3.158 N/A LYS 238.A N LEU 234.A O no hydrogen 2.804 N/A LYS 238.A NZ ASP 235.A O no hydrogen 3.126 N/A LYS 238.A NZ ASP 235.A OD2 no hydrogen 2.806 N/A HIS 239.A ND1 TYR 241.A OH no hydrogen 3.225 N/A TYR 241.A N ILE 232.A O no hydrogen 2.992 N/A TYR 241.A OH THR 237.A OG1 no hydrogen 3.158 N/A TYR 242.A N PRO 264.A O no hydrogen 3.125 N/A THR 243.A N LEU 230.A O no hydrogen 3.107 N/A GLY 245.A N HIS 228.A O no hydrogen 2.850 N/A THR 246.A N VAL 255.A O no hydrogen 2.998 N/A TYR 247.A OH ASP 252.A OD2 no hydrogen 2.918 N/A ASP 248.A N LYS 253.A O no hydrogen 3.039 N/A ARG 249.A NH2 SER 218.A O no hydrogen 3.496 N/A LYS 251.A N ASP 248.A OD1 no hydrogen 3.190 N/A LYS 253.A N ASP 248.A O no hydrogen 3.067 N/A LYS 253.A NZ GLU 187.A OE2 no hydrogen 3.366 N/A PHE 254.A N LEU 189.A O no hydrogen 2.852 N/A VAL 255.A N THR 246.A O no hydrogen 3.049 N/A ASP 257.A N ILE 244.A O no hydrogen 3.216 N/A ARG 265.A N TYR 268.A OH no hydrogen 3.022 N/A TYR 268.A N CYS 491.A O no hydrogen 2.779 N/A GLY 269.A N ASP 267.A OD2 no hydrogen 2.828 N/A LYS 270.A N THR 493.A O no hydrogen 2.683 N/A LYS 270.A NZ ASN 292.A OD1 no hydrogen 3.001 N/A TYR 272.A N TRP 290.A O no hydrogen 2.797 N/A TYR 272.A OH GLU 199.A OE2 no hydrogen 2.443 N/A SER 274.A N ASP 240.A OD2 no hydrogen 2.823 N/A SER 274.A OG ASP 240.A OD2 no hydrogen 2.831 N/A LYS 275.A N TRP 288.A O no hydrogen 2.910 N/A LYS 275.A NZ SER 81.A OG no hydrogen 2.736 N/A THR 276.A N ASP 202.A OD2 no hydrogen 2.915 N/A THR 276.A OG1 ASP 202.A OD1 no hydrogen 3.229 N/A THR 276.A OG1 ASP 202.A OD2 no hydrogen 2.348 N/A PHE 277.A N ILE 286.A O no hydrogen 3.020 N/A ASP 279.A N ARG 284.A O no hydrogen 2.920 N/A LYS 282.A N ASP 279.A OD1 no hydrogen 3.363 N/A LYS 282.A NZ GLU 331.A OE2 no hydrogen 3.106 N/A ARG 284.A N ASP 279.A O no hydrogen 3.410 N/A ARG 284.A NE ASP 279.A OD2 no hydrogen 2.688 N/A ARG 284.A NH1 GLU 331.A OE1 no hydrogen 2.930 N/A ARG 284.A NH2 TYR 30.A OH no hydrogen 3.293 N/A ARG 284.A NH2 ASP 279.A OD2 no hydrogen 3.067 N/A ARG 284.A NH2 GLU 331.A OE1 no hydrogen 3.408 N/A ARG 284.A NH2 GLU 331.A OE2 no hydrogen 2.982 N/A ARG 285.A NH1 THR 276.A OG1 no hydrogen 3.132 N/A ARG 285.A NH2 VAL 214.A O no hydrogen 3.228 N/A ARG 285.A NH2 THR 216.A OG1 no hydrogen 2.816 N/A ILE 286.A N PHE 277.A O no hydrogen 3.134 N/A LEU 287.A N ARG 313.A O no hydrogen 2.744 N/A TRP 288.A N LYS 275.A O no hydrogen 2.816 N/A TRP 290.A N TYR 272.A O no hydrogen 2.954 N/A THR 291.A N ILE 308.A O no hydrogen 3.051 N/A THR 291.A OG1 LYS 270.A O no hydrogen 3.355 N/A SER 294.A N TYR 497.A OH no hydrogen 3.237 N/A SER 295.A OG ASP 300.A OD1 no hydrogen 2.832 N/A ASP 299.A N SER 296.A OG no hydrogen 3.079 N/A ASP 300.A N SER 296.A O no hydrogen 3.239 N/A VAL 301.A N VAL 297.A O no hydrogen 3.131 N/A GLU 302.A N GLU 298.A O no hydrogen 3.312 N/A LYS 303.A N ASP 299.A O no hydrogen 2.853 N/A LYS 303.A NZ GLU 293.A OE1 no hydrogen 2.762 N/A LYS 303.A NZ ASP 300.A OD1 no hydrogen 3.126 N/A GLY 304.A N ASP 300.A O no hydrogen 2.801 N/A TRP 305.A NE1 GLN 2.A OE1 no hydrogen 2.927 N/A SER 306.A N ASN 15.A O no hydrogen 3.171 N/A SER 306.A OG ASP 300.A OD2 no hydrogen 3.099 N/A GLY 307.A N GLU 293.A OE2 no hydrogen 2.832 N/A ILE 308.A N THR 291.A O no hydrogen 3.242 N/A GLN 309.A N PHE 10.A O no hydrogen 2.950 N/A GLN 309.A NE2 ASN 18.A O no hydrogen 3.149 N/A THR 310.A N GLY 289.A O no hydrogen 3.039 N/A THR 310.A OG1 GLY 289.A O no hydrogen 3.417 N/A THR 310.A OG1 ILE 311.A O no hydrogen 3.566 N/A ILE 311.A N GLU 482.A OE2 no hydrogen 3.094 N/A ARG 313.A N LEU 287.A O no hydrogen 2.918 N/A ARG 313.A NE GLN 326.A OE1 no hydrogen 3.078 N/A ARG 313.A NH2 ASP 267.A OD1 no hydrogen 2.708 N/A LYS 314.A N TRP 327.A O no hydrogen 2.741 N/A LYS 314.A NZ SER 211.A OG no hydrogen 3.002 N/A ILE 315.A N ARG 285.A O no hydrogen 3.007 N/A TRP 316.A N ILE 325.A O no hydrogen 3.012 N/A ASP 318.A N GLN 323.A O no hydrogen 2.983 N/A SER 320.A N ASP 318.A OD1 no hydrogen 2.824 N/A SER 320.A OG ASP 318.A OD1 no hydrogen 2.902 N/A GLY 321.A N ASP 318.A O no hydrogen 2.824 N/A LYS 322.A N SER 320.A OG no hydrogen 3.166 N/A GLN 323.A NE2 LEU 324.A O no hydrogen 3.082 N/A GLN 323.A NE2 ARG 489.A O no hydrogen 2.765 N/A LEU 324.A N TYR 242.A OH no hydrogen 3.007 N/A ILE 325.A N TRP 316.A O no hydrogen 2.764 N/A GLN 326.A N GLY 488.A O no hydrogen 3.266 N/A GLN 326.A NE2 TYR 266.A O no hydrogen 2.764 N/A TRP 327.A N LYS 314.A O no hydrogen 2.954 N/A VAL 329.A N PRO 312.A O no hydrogen 2.873 N/A ARG 330.A NE GLU 333.A OE2 no hydrogen 3.489 N/A ARG 330.A NH2 GLU 333.A OE1 no hydrogen 3.105 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.819 N/A VAL 332.A N VAL 329.A O no hydrogen 3.261 N/A GLU 333.A N ARG 330.A O no hydrogen 2.990 N/A ARG 334.A N GLU 331.A O no hydrogen 2.991 N/A LEU 335.A N VAL 332.A O no hydrogen 3.260 N/A ARG 336.A N GLU 333.A O no hydrogen 3.126 N/A ARG 336.A NE ASP 365.A OD2 no hydrogen 3.164 N/A ARG 336.A NH2 ASP 365.A OD2 no hydrogen 2.852 N/A THR 337.A N SER 527.A O no hydrogen 2.829 N/A LYS 341.A N ALA 525.A O no hydrogen 2.934 N/A ASN 342.A ND2 ASN 522.A OD1 no hydrogen 2.821 N/A ASN 342.A ND2 LEU 523.A O no hydrogen 2.930 N/A ASN 342.A ND2 ASN 524.A OD1 no hydrogen 2.919 N/A LEU 343.A N LEU 523.A O no hydrogen 2.891 N/A ASN 345.A N LEU 521.A O no hydrogen 3.022 N/A LYS 346.A N VAL 520.A O no hydrogen 3.038 N/A LYS 346.A NZ ARG 344.A O no hydrogen 3.367 N/A LEU 348.A N VAL 518.A O no hydrogen 3.046 N/A SER 350.A OG GLY 514.A O no hydrogen 2.807 N/A SER 352.A N LYS 349.A O no hydrogen 3.022 N/A SER 352.A OG LYS 349.A O no hydrogen 2.537 N/A LEU 354.A N ALA 510.A O no hydrogen 2.788 N/A VAL 356.A N LEU 508.A O no hydrogen 2.786 N/A THR 360.A N SER 527.A OG no hydrogen 2.652 N/A THR 360.A OG1 GLN 363.A O no hydrogen 3.070 N/A THR 360.A OG1 SER 527.A OG no hydrogen 3.240 N/A GLN 363.A N THR 360.A O no hydrogen 3.226 N/A GLN 363.A NE2 MET 528.A O no hydrogen 2.922 N/A GLN 363.A NE2 SER 530.A OG no hydrogen 3.099 N/A ALA 364.A N ILE 476.A O no hydrogen 2.918 N/A ASP 365.A N TRP 526.A O no hydrogen 2.897 N/A VAL 366.A N ALA 474.A O no hydrogen 2.917 N/A GLU 367.A N ASN 524.A O no hydrogen 2.866 N/A VAL 368.A N LEU 472.A O no hydrogen 2.768 N/A LEU 369.A N ASN 522.A O no hydrogen 2.744 N/A PHE 370.A N LEU 470.A O no hydrogen 2.850 N/A LYS 371.A N ASP 519.A O no hydrogen 2.813 N/A GLU 376.A N ASP 374.A OD1 no hydrogen 3.452 N/A LYS 377.A N ASP 374.A O no hydrogen 3.087 N/A ALA 378.A N LEU 375.A O no hydrogen 3.091 N/A ILE 381.A N LYS 428.A O no hydrogen 3.132 N/A TRP 385.A N GLU 382.A O no hydrogen 3.038 N/A THR 386.A OG1 SER 384.A O no hydrogen 3.566 N/A GLN 389.A N ASP 387.A OD1 no hydrogen 3.056 N/A GLN 389.A NE2 THR 457.A O no hydrogen 2.867 N/A LEU 390.A N ASP 387.A OD1 no hydrogen 3.430 N/A ILE 391.A N ASP 387.A O no hydrogen 3.208 N/A CYS 392.A N PRO 388.A O no hydrogen 3.247 N/A CYS 392.A SG PRO 388.A O no hydrogen 3.324 N/A CYS 392.A SG MET 440.A O no hydrogen 4.014 N/A CYS 392.A SG TYR 458.A O no hydrogen 4.000 N/A SER 393.A N GLN 389.A O no hydrogen 3.011 N/A SER 393.A OG GLN 389.A O no hydrogen 2.996 N/A LYS 394.A N LEU 390.A O no hydrogen 3.023 N/A MET 395.A N ILE 391.A O no hydrogen 3.069 N/A SER 398.A N ASN 396.A OD1 no hydrogen 3.075 N/A VAL 399.A N ASN 396.A O no hydrogen 2.910 N/A SER 401.A N GLY 404.A O no hydrogen 2.879 N/A SER 401.A OG ASP 379.A OD2 no hydrogen 3.399 N/A GLY 402.A N ASP 379.A OD1 no hydrogen 3.068 N/A GLY 402.A N ASP 379.A OD2 no hydrogen 2.939 N/A PHE 406.A N PHE 424.A O no hydrogen 3.193 N/A GLY 407.A N PHE 511.A O no hydrogen 3.287 N/A LEU 408.A N VAL 422.A O no hydrogen 2.869 N/A VAL 410.A N THR 420.A O no hydrogen 2.762 N/A ALA 412.A N HIS 507.A O no hydrogen 3.285 N/A SER 413.A N GLU 418.A O no hydrogen 2.703 N/A SER 413.A OG GLU 417.A OE2 no hydrogen 2.732 N/A SER 413.A OG GLU 418.A O no hydrogen 3.326 N/A LYS 414.A NZ HIS 507.A NE2 no hydrogen 3.407 N/A LEU 416.A N SER 413.A O no hydrogen 2.752 N/A GLU 417.A N GLU 417.A OE2 no hydrogen 2.818 N/A GLU 418.A N SER 413.A OG no hydrogen 2.822 N/A TYR 419.A N ARG 446.A O no hydrogen 2.913 N/A THR 420.A N VAL 410.A O no hydrogen 2.944 N/A SER 421.A N ASP 443.A O no hydrogen 2.987 N/A VAL 422.A N LEU 408.A O no hydrogen 2.861 N/A TYR 423.A N CYS 441.A O no hydrogen 3.117 N/A PHE 424.A N PHE 406.A O no hydrogen 2.878 N/A ARG 425.A N LEU 439.A O no hydrogen 2.981 N/A ARG 425.A NH1 VAL 399.A O no hydrogen 2.768 N/A ARG 425.A NH1 SER 401.A OG no hydrogen 2.941 N/A ARG 425.A NH2 MET 395.A O no hydrogen 2.800 N/A ARG 425.A NH2 VAL 399.A O no hydrogen 3.034 N/A ILE 426.A N LEU 403.A O no hydrogen 2.914 N/A PHE 427.A N VAL 437.A O no hydrogen 2.856 N/A LYS 428.A N ASP 379.A O no hydrogen 2.987 N/A ALA 429.A N LYS 435.A O no hydrogen 3.069 N/A ARG 430.A NE ILE 381.A O no hydrogen 2.898 N/A ARG 430.A NH2 ILE 381.A O no hydrogen 3.554 N/A VAL 437.A N PHE 427.A O no hydrogen 2.960 N/A LEU 439.A N ARG 425.A O no hydrogen 2.868 N/A MET 440.A N ALA 460.A O no hydrogen 2.909 N/A CYS 441.A N TYR 423.A O no hydrogen 2.972 N/A CYS 441.A SG TYR 423.A OH no hydrogen 3.765 N/A SER 442.A N TYR 458.A O no hydrogen 2.792 N/A SER 442.A OG GLN 444.A OE1 no hydrogen 3.420 N/A ASP 443.A N SER 421.A O no hydrogen 2.759 N/A GLN 444.A NE2 THR 456.A O no hydrogen 2.854 N/A SER 445.A N ASP 443.A OD2 no hydrogen 2.776 N/A SER 445.A OG ASP 443.A OD2 no hydrogen 2.785 N/A ARG 446.A NH1 LEU 416.A O no hydrogen 3.401 N/A SER 447.A OG GLN 444.A O no hydrogen 2.827 N/A SER 448.A OG TYR 497.A O no hydrogen 2.606 N/A LEU 449.A N GLU 418.A OE2 no hydrogen 2.736 N/A LYS 450.A N SER 448.A OG no hydrogen 3.313 N/A LYS 450.A NZ ASP 299.A OD1 no hydrogen 2.506 N/A ASN 453.A ND2 LYS 450.A O no hydrogen 2.992 N/A ASP 454.A N SER 294.A O no hydrogen 2.627 N/A LYS 455.A NZ SER 445.A O no hydrogen 3.086 N/A LYS 455.A NZ SER 448.A O no hydrogen 2.505 N/A THR 456.A N ASP 454.A OD1 no hydrogen 3.003 N/A THR 456.A OG1 ASP 454.A OD1 no hydrogen 2.531 N/A THR 457.A OG1 ASP 443.A OD2 no hydrogen 3.369 N/A TYR 458.A N SER 442.A O no hydrogen 2.987 N/A ALA 460.A N MET 440.A O no hydrogen 2.897 N/A VAL 462.A N VAL 438.A O no hydrogen 3.030 N/A HIS 467.A N ASN 465.A OD1 no hydrogen 3.082 N/A HIS 467.A ND1 ASN 465.A OD1 no hydrogen 2.840 N/A GLN 468.A N ASN 465.A O no hydrogen 2.992 N/A LEU 470.A N PHE 370.A O no hydrogen 2.720 N/A LEU 472.A N VAL 368.A O no hydrogen 3.093 N/A ARG 473.A N PHE 484.A O no hydrogen 2.746 N/A ARG 473.A NE ASP 365.A OD1 no hydrogen 3.067 N/A ARG 473.A NH2 ASP 365.A OD2 no hydrogen 2.928 N/A ALA 474.A N VAL 366.A O no hydrogen 2.825 N/A LEU 475.A N GLU 482.A O no hydrogen 3.000 N/A ILE 476.A N ALA 364.A O no hydrogen 2.761 N/A ASP 477.A N VAL 480.A O no hydrogen 2.973 N/A HIS 478.A N ALA 362.A O no hydrogen 2.677 N/A HIS 478.A NE2 GLN 363.A OE1 no hydrogen 2.830 N/A SER 479.A N ASP 477.A O no hydrogen 2.744 N/A SER 479.A OG TYR 4.A O no hydrogen 2.613 N/A VAL 480.A N ASP 477.A O no hydrogen 3.421 N/A VAL 481.A N SER 494.A O no hydrogen 3.082 N/A GLU 482.A N LEU 475.A O no hydrogen 2.991 N/A SER 483.A N ILE 492.A O no hydrogen 2.753 N/A PHE 484.A N ARG 473.A O no hydrogen 2.782 N/A GLY 485.A N ALA 490.A O no hydrogen 2.856 N/A GLY 486.A N SER 471.A O no hydrogen 2.958 N/A GLY 488.A N GLY 485.A O no hydrogen 3.271 N/A ARG 489.A N GLY 486.A O no hydrogen 3.286 N/A ARG 489.A NE ASP 318.A OD2 no hydrogen 3.072 N/A ARG 489.A NH1 GLY 486.A O no hydrogen 2.831 N/A ARG 489.A NH2 ASP 318.A OD2 no hydrogen 3.388 N/A ALA 490.A N GLY 485.A O no hydrogen 3.159 N/A CYS 491.A SG GLY 488.A O no hydrogen 3.845 N/A ILE 492.A N SER 483.A O no hydrogen 2.835 N/A THR 493.A N ASP 267.A OD2 no hydrogen 2.947 N/A THR 493.A OG1 ASP 267.A OD1 no hydrogen 2.406 N/A SER 494.A N VAL 481.A O no hydrogen 3.020 N/A ARG 495.A NE SER 479.A O no hydrogen 2.708 N/A ARG 495.A NH1 THR 291.A O no hydrogen 3.529 N/A ARG 495.A NH1 GLU 293.A OE2 no hydrogen 2.671 N/A ARG 495.A NH2 GLU 293.A OE1 no hydrogen 3.183 N/A ARG 495.A NH2 GLU 293.A OE2 no hydrogen 3.205 N/A ARG 495.A NH2 SER 479.A OG no hydrogen 2.925 N/A VAL 496.A N SER 479.A O no hydrogen 3.183 N/A TYR 497.A OH GLU 293.A OE1 no hydrogen 2.509 N/A LYS 499.A N GLU 418.A OE2 no hydrogen 2.626 N/A LEU 500.A N GLU 418.A OE1 no hydrogen 2.708 N/A LEU 500.A N GLU 418.A OE2 no hydrogen 3.440 N/A ALA 501.A N GLU 418.A OE1 no hydrogen 2.875 N/A SER 505.A N ILE 502.A O no hydrogen 2.764 N/A SER 506.A N GLY 503.A O no hydrogen 3.442 N/A SER 506.A OG GLY 503.A O no hydrogen 2.990 N/A HIS 507.A N ALA 412.A O no hydrogen 2.733 N/A HIS 507.A ND1 GLU 355.A OE2 no hydrogen 2.232 N/A PHE 509.A N MET 409.A O no hydrogen 2.831 N/A ALA 510.A N LEU 354.A O no hydrogen 3.080 N/A PHE 511.A N GLY 407.A O no hydrogen 2.996 N/A ASN 512.A N SER 352.A O no hydrogen 3.069 N/A ASN 512.A ND2 LEU 348.A O no hydrogen 2.844 N/A ASN 512.A ND2 GLN 516.A O no hydrogen 3.049 N/A TYR 513.A N PRO 405.A O no hydrogen 2.873 N/A GLY 514.A N ASN 512.A OD1 no hydrogen 3.000 N/A TYR 515.A N SER 401.A O no hydrogen 3.031 N/A VAL 518.A N LEU 348.A O no hydrogen 3.174 N/A ASP 519.A N LYS 371.A O no hydrogen 3.005 N/A VAL 520.A N LYS 346.A O no hydrogen 2.895 N/A LEU 521.A N LEU 369.A O no hydrogen 2.830 N/A LEU 523.A N LEU 343.A O no hydrogen 2.872 N/A ASN 524.A N GLU 367.A O no hydrogen 2.927 N/A ALA 525.A N LYS 341.A O no hydrogen 2.837 N/A TRP 526.A N ASP 365.A O no hydrogen 2.849 N/A SER 527.A OG THR 360.A OG1 no hydrogen 3.240 N/A MET 528.A N GLN 363.A O no hydrogen 2.738 N/A ASN 529.A N LEU 335.A O no hydrogen 2.692 N/A ASN 529.A ND2 LEU 335.A O no hydrogen 3.367 N/A SER 530.A OG GLY 7.A O no hydrogen 3.525 N/A ALA 531.A N GLY 7.A O no hydrogen 2.784 N/A GLN 532.A N ASN 58.A OD1 no hydrogen 2.730 N/A SER 534.A OG SER 51.A OG no hydrogen 3.308 N/A