Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wmp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 2.A OG no hydrogen 3.102 N/A ARG 5.A N SER 2.A O no hydrogen 3.194 N/A ARG 5.A NH1 SER 2.A O no hydrogen 2.849 N/A ARG 5.A NH1 GLU 48.A OE1 no hydrogen 3.013 N/A SER 8.A N GLU 11.A OE1 no hydrogen 2.847 N/A GLU 11.A N SER 8.A OG no hydrogen 3.047 N/A ILE 12.A N SER 8.A O no hydrogen 3.325 N/A SER 13.A N ALA 9.A O no hydrogen 2.974 N/A SER 13.A OG ALA 9.A O no hydrogen 3.021 N/A GLU 14.A N GLY 10.A O no hydrogen 2.732 N/A VAL 15.A N GLU 11.A O no hydrogen 2.917 N/A GLN 16.A N ILE 12.A O no hydrogen 2.984 N/A GLN 16.A NE2 PHE 324.A O no hydrogen 2.659 N/A GLN 16.A NE2 ASN 326.A OD1 no hydrogen 3.002 N/A GLY 17.A N SER 13.A O no hydrogen 2.978 N/A ILE 18.A N GLU 14.A O no hydrogen 2.877 N/A LEU 19.A N VAL 15.A O no hydrogen 2.972 N/A ARG 20.A N GLN 16.A O no hydrogen 2.934 N/A THR 21.A N GLY 17.A O no hydrogen 2.872 N/A THR 21.A OG1 GLY 17.A O no hydrogen 3.052 N/A ALA 22.A N ILE 18.A O no hydrogen 2.983 N/A GLY 23.A N ARG 20.A O no hydrogen 2.789 N/A LEU 24.A N LEU 19.A O no hydrogen 2.859 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.477 N/A LYS 29.A N GLY 26.A O no hydrogen 2.860 N/A LYS 29.A NZ ASP 58.A OD2 no hydrogen 2.751 N/A ARG 30.A N HIS 57.A O no hydrogen 2.709 N/A ARG 30.A NE GLU 95.A OE1 no hydrogen 3.086 N/A ARG 30.A NH1 PRO 27.A O no hydrogen 3.025 N/A ARG 30.A NH1 LYS 29.A O no hydrogen 2.866 N/A ILE 31.A N ALA 323.A O no hydrogen 2.786 N/A ALA 32.A N PHE 55.A O no hydrogen 2.845 N/A TYR 33.A OH ASP 242.A OD1 no hydrogen 2.804 N/A GLY 35.A N ARG 53.A O no hydrogen 3.002 N/A LEU 37.A N ARG 51.A O no hydrogen 2.852 N/A ARG 41.A NE ASP 573.A OD2 no hydrogen 2.601 N/A ARG 41.A NH2 ASP 432.A OD2 no hydrogen 2.846 N/A ARG 41.A NH2 ASP 573.A OD1 no hydrogen 2.988 N/A SER 45.A N GLY 42.A O no hydrogen 3.426 N/A SER 45.A OG GLY 42.A O no hydrogen 3.133 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.613 N/A ARG 50.A N THR 72.A OG1 no hydrogen 3.023 N/A ARG 50.A NE GLU 11.A OE2 no hydrogen 2.809 N/A ARG 50.A NH1 ARG 5.A O no hydrogen 3.397 N/A ARG 50.A NH2 ARG 5.A O no hydrogen 3.418 N/A ARG 50.A NH2 GLU 11.A OE1 no hydrogen 2.961 N/A ARG 50.A NH2 GLU 11.A OE2 no hydrogen 3.344 N/A ARG 51.A NE ASP 49.A OD2 no hydrogen 2.744 N/A ARG 51.A NH2 ASP 49.A OD2 no hydrogen 3.569 N/A PHE 52.A N VAL 69.A O no hydrogen 2.774 N/A ARG 53.A N GLY 35.A O no hydrogen 2.742 N/A ARG 53.A NH1 ASP 548.A OD1 no hydrogen 3.199 N/A VAL 54.A N VAL 67.A O no hydrogen 2.752 N/A PHE 55.A N TYR 33.A O no hydrogen 2.885 N/A ILE 56.A N GLN 65.A O no hydrogen 2.749 N/A HIS 57.A N ARG 30.A O no hydrogen 2.596 N/A VAL 59.A N GLU 28.A O no hydrogen 2.902 N/A SER 60.A N ASP 58.A OD1 no hydrogen 2.601 N/A GLY 61.A N ASP 58.A O no hydrogen 2.945 N/A ALA 62.A N ASP 58.A OD1 no hydrogen 3.309 N/A ARG 63.A NH2 GLU 81.A OE1 no hydrogen 2.959 N/A GLN 65.A N ILE 56.A O no hydrogen 2.892 N/A GLU 66.A N VAL 80.A O no hydrogen 2.900 N/A VAL 67.A N VAL 54.A O no hydrogen 2.796 N/A THR 68.A N SER 78.A O no hydrogen 2.862 N/A VAL 69.A N PHE 52.A O no hydrogen 2.874 N/A SER 70.A N THR 75.A O no hydrogen 2.877 N/A SER 70.A OG ASP 49.A OD1 no hydrogen 2.531 N/A SER 70.A OG ASP 49.A OD2 no hydrogen 3.147 N/A VAL 71.A N ARG 50.A O no hydrogen 2.895 N/A ASN 73.A N SER 70.A OG no hydrogen 3.171 N/A GLY 74.A N SER 70.A O no hydrogen 2.785 N/A THR 75.A N SER 70.A O no hydrogen 3.194 N/A ILE 77.A N THR 68.A O no hydrogen 2.768 N/A SER 78.A N THR 68.A O no hydrogen 3.242 N/A VAL 80.A N GLU 66.A O no hydrogen 2.892 N/A LEU 82.A N PRO 64.A O no hydrogen 2.731 N/A THR 84.A OG1 GLU 89.A OE2 no hydrogen 2.922 N/A ALA 86.A N ASP 83.A O no hydrogen 2.890 N/A THR 87.A N ASP 83.A O no hydrogen 2.947 N/A THR 87.A OG1 ASP 83.A O no hydrogen 3.156 N/A GLY 88.A N THR 84.A O no hydrogen 2.755 N/A GLU 89.A N ASN 551.A O no hydrogen 2.900 N/A VAL 92.A N GLU 293.A O no hydrogen 2.950 N/A LEU 93.A N GLU 96.A OE2 no hydrogen 3.056 N/A GLU 96.A N LEU 93.A O no hydrogen 2.990 N/A PHE 97.A N LEU 93.A O no hydrogen 3.454 N/A VAL 99.A N GLU 95.A O no hydrogen 3.388 N/A GLN 102.A N GLU 98.A O no hydrogen 3.470 N/A LEU 103.A N VAL 99.A O no hydrogen 2.883 N/A LEU 104.A N VAL 100.A O no hydrogen 3.145 N/A ALA 105.A N GLU 101.A O no hydrogen 3.253 N/A THR 106.A N LEU 103.A O no hydrogen 2.980 N/A THR 106.A OG1 LEU 103.A O no hydrogen 2.876 N/A ASP 107.A N LEU 104.A O no hydrogen 2.920 N/A ARG 109.A NE ASP 107.A OD1 no hydrogen 3.043 N/A ARG 109.A NH1 VAL 178.A O no hydrogen 3.552 N/A ARG 109.A NH2 ASP 107.A OD2 no hydrogen 2.602 N/A ARG 109.A NH2 VAL 178.A O no hydrogen 2.746 N/A TRP 110.A N ASP 107.A OD1 no hydrogen 3.196 N/A LEU 111.A N ASP 107.A O no hydrogen 2.862 N/A LYS 112.A N GLU 108.A O no hydrogen 2.810 N/A ALA 113.A N ARG 109.A O no hydrogen 3.041 N/A LEU 114.A N TRP 110.A O no hydrogen 3.010 N/A ALA 115.A N LEU 111.A O no hydrogen 2.798 N/A ALA 116.A N LYS 112.A O no hydrogen 2.950 N/A ARG 117.A N LEU 114.A O no hydrogen 2.957 N/A ARG 117.A NH1 ALA 113.A O no hydrogen 2.929 N/A ARG 117.A NH1 ASP 183.A OD2 no hydrogen 2.876 N/A ARG 117.A NH2 ASP 183.A OD1 no hydrogen 2.770 N/A ARG 117.A NH2 ASP 183.A OD2 no hydrogen 3.484 N/A ARG 117.A NH2 GLY 185.A O no hydrogen 3.062 N/A ASN 118.A N ALA 115.A O no hydrogen 2.818 N/A LEU 119.A N LEU 114.A O no hydrogen 2.904 N/A SER 122.A N ASP 120.A OD1 no hydrogen 2.980 N/A SER 122.A OG ASP 120.A OD1 no hydrogen 2.926 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 2.446 N/A LYS 123.A N ASP 120.A O no hydrogen 2.770 N/A LYS 123.A NZ ASP 153.A O no hydrogen 2.903 N/A VAL 124.A N VAL 121.A O no hydrogen 3.290 N/A ARG 125.A N PHE 150.A O no hydrogen 2.690 N/A ARG 125.A NE GLU 101.A OE1 no hydrogen 2.738 N/A ARG 125.A NE GLU 101.A OE2 no hydrogen 3.462 N/A ARG 125.A NH1 GLN 152.A OE1 no hydrogen 3.179 N/A ARG 125.A NH2 GLU 101.A OE1 no hydrogen 2.914 N/A ARG 125.A NH2 SER 122.A O no hydrogen 2.883 N/A VAL 126.A N GLU 101.A OE2 no hydrogen 3.003 N/A ALA 127.A N LEU 148.A O no hydrogen 2.819 N/A LEU 129.A N ARG 146.A O no hydrogen 2.782 N/A SER 130.A N TYR 294.A OH no hydrogen 3.238 N/A SER 130.A OG GLU 293.A OE1 no hydrogen 2.680 N/A VAL 133.A N ALA 131.A O no hydrogen 2.680 N/A PHE 134.A N SER 521.A OG no hydrogen 3.333 N/A GLU 139.A N TYR 136.A O no hydrogen 3.147 N/A ARG 142.A N GLU 139.A O no hydrogen 3.225 N/A ARG 142.A NE ASP 172.A OD2 no hydrogen 2.748 N/A ARG 142.A NH2 ASP 172.A OD2 no hydrogen 3.079 N/A ARG 143.A NE GLU 96.A OE1 no hydrogen 2.637 N/A ARG 143.A NE GLU 96.A OE2 no hydrogen 3.253 N/A ARG 143.A NH1 GLU 89.A OE1 no hydrogen 3.083 N/A ARG 143.A NH1 LEU 90.A O no hydrogen 2.985 N/A ARG 143.A NH2 LEU 90.A O no hydrogen 3.296 N/A ARG 143.A NH2 PRO 91.A O no hydrogen 2.644 N/A ARG 143.A NH2 GLU 96.A OE2 no hydrogen 3.003 N/A ILE 144.A N GLN 552.A OE1 no hydrogen 3.322 N/A LEU 145.A N VAL 171.A O no hydrogen 2.973 N/A ARG 146.A N LEU 129.A O no hydrogen 2.790 N/A ARG 146.A NE ALA 131.A O no hydrogen 2.752 N/A ARG 146.A NH1 GLU 139.A OE2 no hydrogen 3.220 N/A ARG 146.A NH2 ALA 131.A O no hydrogen 3.076 N/A ARG 146.A NH2 GLU 139.A OE2 no hydrogen 3.413 N/A GLY 147.A N ALA 169.A O no hydrogen 2.837 N/A LEU 148.A N ALA 127.A O no hydrogen 3.238 N/A PHE 150.A N ARG 125.A O no hydrogen 2.854 N/A VAL 151.A N HIS 162.A O no hydrogen 2.929 N/A GLN 152.A N LYS 123.A O no hydrogen 2.803 N/A GLN 152.A NE2 ASP 157.A O no hydrogen 2.990 N/A ASP 153.A N ASP 157.A OD2 no hydrogen 3.024 N/A ASP 157.A N PHE 154.A O no hydrogen 2.839 N/A SER 158.A N ASN 195.A OD1 no hydrogen 2.762 N/A ALA 161.A N SER 158.A O no hydrogen 3.145 N/A HIS 162.A N ALA 159.A O no hydrogen 2.740 N/A HIS 162.A ND1 VAL 151.A O no hydrogen 3.132 N/A VAL 164.A N ALA 149.A O no hydrogen 2.913 N/A GLY 166.A N ASP 165.A OD1 no hydrogen 2.682 N/A VAL 168.A N ILE 182.A O no hydrogen 2.967 N/A ALA 169.A N GLY 147.A O no hydrogen 3.254 N/A TYR 170.A N ARG 180.A O no hydrogen 2.851 N/A VAL 171.A N LEU 145.A O no hydrogen 2.865 N/A ASP 172.A N GLU 177.A O no hydrogen 2.857 N/A VAL 173.A N ARG 143.A O no hydrogen 3.067 N/A VAL 174.A N ASP 172.A OD1 no hydrogen 3.035 N/A SER 175.A N ASP 172.A OD1 no hydrogen 2.917 N/A GLU 177.A N ASP 172.A O no hydrogen 3.239 N/A THR 179.A N TYR 170.A O no hydrogen 3.096 N/A THR 179.A OG1 TYR 170.A O no hydrogen 3.501 N/A ARG 180.A N TYR 170.A O no hydrogen 3.496 N/A ILE 182.A N VAL 168.A O no hydrogen 2.722 N/A THR 184.A N GLY 166.A O no hydrogen 2.794 N/A GLY 185.A N ASP 183.A OD1 no hydrogen 3.102 N/A ASN 195.A N HIS 193.A ND1 no hydrogen 3.010 N/A ASN 195.A ND2 ASP 157.A OD1 no hydrogen 2.915 N/A ASP 198.A N ASN 195.A O no hydrogen 3.124 N/A GLU 200.A N ASP 198.A OD1 no hydrogen 2.749 N/A LEU 201.A N ASP 198.A O no hydrogen 2.827 N/A THR 202.A N ASP 198.A O no hydrogen 3.011 N/A THR 202.A OG1 GLY 203.A O no hydrogen 2.919 N/A GLY 203.A N PRO 199.A O no hydrogen 2.680 N/A GLN 216.A NE2 GLU 338.A OE2 no hydrogen 2.652 N/A GLY 219.A N GLN 216.A O no hydrogen 2.894 N/A SER 221.A N GLU 338.A OE2 no hydrogen 2.780 N/A SER 221.A OG GLU 338.A OE1 no hydrogen 3.250 N/A SER 221.A OG GLU 338.A OE2 no hydrogen 2.721 N/A THR 223.A N GLU 231.A O no hydrogen 2.931 N/A THR 225.A N HIS 229.A O no hydrogen 2.905 N/A ASN 228.A ND2 PHE 4.A O no hydrogen 2.799 N/A ASN 228.A ND2 VAL 239.A O no hydrogen 2.957 N/A HIS 229.A N THR 225.A O no hydrogen 2.719 N/A HIS 229.A ND1 ASP 238.A OD1 no hydrogen 2.680 N/A ILE 230.A N LEU 237.A O no hydrogen 2.753 N/A GLU 231.A N THR 223.A O no hydrogen 3.152 N/A TRP 232.A N TRP 235.A O no hydrogen 2.960 N/A TRP 232.A NE1 GLU 338.A OE1 no hydrogen 2.982 N/A LYS 234.A NZ PRO 613.A O no hydrogen 2.925 N/A LYS 234.A NZ ASP 616.A OD1 no hydrogen 3.290 N/A LYS 234.A NZ ASP 616.A OD2 no hydrogen 3.370 N/A TRP 235.A N TRP 232.A O no hydrogen 2.672 N/A TRP 235.A NE1 TYR 383.A O no hydrogen 2.815 N/A SER 236.A N ALA 253.A O no hydrogen 2.925 N/A SER 236.A OG HIS 229.A NE2 no hydrogen 3.367 N/A LEU 237.A N ILE 230.A O no hydrogen 3.000 N/A ASP 238.A N HIS 250.A O no hydrogen 2.857 N/A VAL 239.A N ASN 228.A O no hydrogen 2.953 N/A GLY 240.A N VAL 248.A O no hydrogen 2.595 N/A ASP 242.A N GLY 246.A O no hydrogen 2.819 N/A ARG 244.A N ASP 242.A OD2 no hydrogen 2.929 N/A ARG 244.A NH1 ASP 548.A O no hydrogen 2.828 N/A ARG 244.A NH2 GLY 547.A O no hydrogen 3.067 N/A GLU 245.A N ASP 242.A OD2 no hydrogen 3.139 N/A GLY 246.A N ASP 242.A O no hydrogen 2.655 N/A VAL 248.A N GLY 240.A O no hydrogen 2.891 N/A LEU 249.A N ALA 267.A O no hydrogen 2.952 N/A HIS 250.A N ASP 238.A O no hydrogen 2.739 N/A ASN 251.A N ASN 265.A O no hydrogen 2.838 N/A ASN 251.A ND2 ASP 238.A OD2 no hydrogen 2.550 N/A ILE 252.A N ILE 264.A O no hydrogen 2.794 N/A ALA 253.A N SER 236.A O no hydrogen 2.786 N/A PHE 254.A N ARG 261.A O no hydrogen 2.754 N/A ARG 255.A N LYS 234.A O no hydrogen 2.664 N/A ASP 256.A N ARG 259.A O no hydrogen 2.869 N/A ARG 261.A N PHE 254.A O no hydrogen 2.883 N/A ARG 261.A NE ASP 436.A OD1 no hydrogen 2.988 N/A ARG 261.A NE ASP 436.A OD2 no hydrogen 3.463 N/A ARG 261.A NH1 ASP 256.A OD2 no hydrogen 2.739 N/A ARG 261.A NH1 PHE 608.A O no hydrogen 2.865 N/A ARG 261.A NH2 ASP 436.A OD2 no hydrogen 2.873 N/A ARG 261.A NH2 PHE 608.A O no hydrogen 2.746 N/A ILE 263.A N ILE 252.A O no hydrogen 2.971 N/A ILE 264.A N ILE 252.A O no hydrogen 3.335 N/A ASN 265.A N ASP 432.A O no hydrogen 2.721 N/A ASN 265.A ND2 ASP 432.A OD2 no hydrogen 2.996 N/A ARG 266.A N ASP 432.A O no hydrogen 3.373 N/A ARG 266.A NH1 GLU 245.A OE1 no hydrogen 3.552 N/A ARG 266.A NH1 GLU 245.A OE2 no hydrogen 3.312 N/A ARG 266.A NH2 GLU 245.A OE1 no hydrogen 2.725 N/A ALA 267.A N LEU 249.A O no hydrogen 2.832 N/A SER 268.A N ARG 430.A O no hydrogen 3.122 N/A SER 268.A OG GLU 245.A OE2 no hydrogen 2.624 N/A MET 272.A N GLU 271.A OE1 no hydrogen 2.775 N/A VAL 273.A N ILE 426.A O no hydrogen 2.764 N/A VAL 274.A N TYR 288.A O no hydrogen 2.724 N/A TYR 276.A N GLN 286.A O no hydrogen 3.250 N/A GLY 277.A N PHE 422.A O no hydrogen 2.788 N/A SER 280.A N ASP 278.A OD1 no hydrogen 3.001 N/A ILE 282.A N SER 280.A OG no hydrogen 3.192 N/A ARG 283.A N SER 280.A O no hydrogen 2.957 N/A ARG 283.A NE ASP 278.A OD2 no hydrogen 2.827 N/A ARG 283.A NH1 ASP 165.A OD1 no hydrogen 3.014 N/A ARG 283.A NH1 ASP 165.A OD2 no hydrogen 3.377 N/A ARG 283.A NH2 ASP 165.A OD1 no hydrogen 3.555 N/A ARG 283.A NH2 ASP 165.A OD2 no hydrogen 3.202 N/A ARG 283.A NH2 ASP 278.A OD2 no hydrogen 2.741 N/A SER 284.A N SER 280.A O no hydrogen 2.694 N/A SER 284.A OG SER 280.A O no hydrogen 3.352 N/A GLN 286.A N ARG 283.A O no hydrogen 2.779 N/A ASN 287.A ND2 GLY 132.A O no hydrogen 3.096 N/A ASN 287.A ND2 TRP 285.A O no hydrogen 3.090 N/A TYR 288.A N VAL 274.A O no hydrogen 3.091 N/A PHE 289.A N GLU 293.A OE1 no hydrogen 3.156 N/A GLY 292.A N GLU 271.A OE1 no hydrogen 3.053 N/A GLU 293.A N PHE 289.A O no hydrogen 2.701 N/A GLN 298.A N VAL 243.A O no hydrogen 3.135 N/A GLN 298.A N LEU 295.A O no hydrogen 3.091 N/A TYR 299.A N VAL 296.A O no hydrogen 3.340 N/A ALA 300.A N GLY 297.A O no hydrogen 3.310 N/A ASN 301.A N PHE 368.A O no hydrogen 2.659 N/A SER 302.A OG ARG 331.A O no hydrogen 2.926 N/A LEU 303.A N ASN 332.A O no hydrogen 2.856 N/A GLU 304.A N ASP 308.A OD2 no hydrogen 2.852 N/A GLY 306.A N CYS 309.A O no hydrogen 2.978 N/A CYS 307.A N GLU 304.A O no hydrogen 3.244 N/A ASP 308.A N GLU 304.A O no hydrogen 2.993 N/A CYS 309.A N GLU 304.A O no hydrogen 3.479 N/A THR 314.A N MET 336.A O no hydrogen 2.903 N/A LEU 316.A N ILE 334.A O no hydrogen 3.092 N/A ILE 320.A N ARG 328.A O no hydrogen 2.864 N/A SER 321.A OG ASP 322.A O no hydrogen 2.820 N/A ASP 322.A N ASN 326.A O no hydrogen 2.971 N/A PHE 324.A N ASP 322.A OD2 no hydrogen 2.680 N/A GLY 325.A N ASP 322.A O no hydrogen 3.167 N/A ASN 326.A N ASP 322.A OD2 no hydrogen 2.876 N/A ASN 326.A ND2 ASP 322.A OD1 no hydrogen 3.156 N/A ARG 328.A N ILE 320.A O no hydrogen 2.683 N/A ARG 328.A NH2 GLN 298.A O no hydrogen 3.073 N/A ILE 330.A N PRO 318.A O no hydrogen 2.891 N/A ASN 332.A N SER 317.A OG no hydrogen 2.887 N/A GLY 333.A N ILE 330.A O no hydrogen 3.108 N/A ILE 334.A N LEU 316.A O no hydrogen 3.167 N/A CYS 335.A N SER 366.A O no hydrogen 2.822 N/A MET 336.A N THR 314.A O no hydrogen 2.986 N/A HIS 337.A N VAL 364.A O no hydrogen 3.005 N/A HIS 337.A NE2 GLU 339.A OE2 no hydrogen 3.211 N/A GLU 339.A N ARG 362.A O no hydrogen 2.964 N/A TRP 341.A N ASN 360.A O no hydrogen 2.753 N/A GLY 342.A N ASP 340.A OD2 no hydrogen 3.154 N/A LEU 344.A N ARG 358.A O no hydrogen 2.702 N/A ALA 345.A N ARG 358.A O no hydrogen 3.346 N/A LYS 346.A NZ THR 357.A OG1 no hydrogen 3.126 N/A HIS 347.A N TYR 356.A O no hydrogen 2.832 N/A HIS 347.A NE2 ASP 349.A OD2 no hydrogen 2.791 N/A ASP 349.A N ILE 354.A O no hydrogen 3.010 N/A SER 352.A N ASP 349.A OD1 no hydrogen 2.968 N/A SER 352.A OG ASP 349.A OD1 no hydrogen 3.103 N/A GLY 353.A N ASP 349.A O no hydrogen 2.874 N/A ILE 354.A N SER 352.A OG no hydrogen 3.250 N/A TYR 356.A N HIS 347.A O no hydrogen 2.817 N/A ARG 358.A N ALA 345.A O no hydrogen 2.848 N/A ARG 358.A NE VAL 617.A O no hydrogen 2.897 N/A ARG 358.A NH1 THR 357.A O no hydrogen 2.870 N/A ARG 359.A NE ASP 340.A OD1 no hydrogen 3.115 N/A ARG 359.A NH2 ASP 340.A OD1 no hydrogen 3.303 N/A ARG 359.A NH2 ASP 340.A OD2 no hydrogen 2.599 N/A ASN 360.A N GLY 342.A O no hydrogen 2.704 N/A ARG 361.A N ASN 360.A OD1 no hydrogen 2.689 N/A ARG 361.A NH1 GLU 338.A OE1 no hydrogen 2.936 N/A ARG 362.A N GLU 339.A O no hydrogen 3.061 N/A ARG 362.A NE TYR 383.A OH no hydrogen 3.369 N/A ARG 362.A NH1 GLU 339.A OE1 no hydrogen 2.637 N/A ARG 362.A NH2 TYR 383.A OH no hydrogen 2.778 N/A MET 363.A N LEU 382.A O no hydrogen 2.656 N/A VAL 364.A N HIS 337.A O no hydrogen 2.623 N/A ILE 365.A N TRP 380.A O no hydrogen 3.108 N/A SER 366.A N CYS 335.A O no hydrogen 2.913 N/A PHE 367.A N PHE 378.A O no hydrogen 3.189 N/A THR 369.A N TYR 376.A O no hydrogen 2.839 N/A THR 369.A OG1 VAL 296.A O no hydrogen 2.726 N/A THR 370.A N TYR 299.A O no hydrogen 3.332 N/A THR 370.A OG1 ASN 301.A OD1 no hydrogen 2.979 N/A THR 370.A OG1 ASP 375.A OD2 no hydrogen 2.798 N/A ILE 371.A N TYR 374.A O no hydrogen 2.747 N/A ASN 373.A ND2 VAL 397.A O no hydrogen 2.785 N/A TYR 374.A N ILE 371.A O no hydrogen 3.075 N/A TYR 374.A OH HIS 423.A NE2 no hydrogen 2.869 N/A ASP 375.A N THR 395.A O no hydrogen 2.994 N/A TYR 376.A N THR 369.A O no hydrogen 2.868 N/A TYR 376.A OH HIS 425.A ND1 no hydrogen 2.757 N/A GLY 377.A N LYS 393.A O no hydrogen 2.709 N/A PHE 378.A N PHE 367.A O no hydrogen 2.941 N/A TYR 379.A N GLU 391.A O no hydrogen 2.894 N/A TRP 380.A N ILE 365.A O no hydrogen 2.874 N/A TYR 381.A N GLU 389.A O no hydrogen 2.627 N/A TYR 381.A OH GLU 391.A OE1 no hydrogen 2.569 N/A LEU 382.A N MET 363.A O no hydrogen 3.053 N/A TYR 383.A N THR 387.A O no hydrogen 2.945 N/A TYR 383.A OH GLU 389.A OE1 no hydrogen 2.573 N/A LEU 384.A N ARG 361.A O no hydrogen 3.285 N/A GLY 386.A N TYR 383.A O no hydrogen 3.056 N/A THR 387.A N ASP 385.A OD1 no hydrogen 3.247 N/A THR 387.A OG1 ASP 385.A OD1 no hydrogen 3.257 N/A THR 387.A OG1 ASP 385.A OD2 no hydrogen 3.268 N/A ILE 388.A N LEU 603.A O no hydrogen 2.902 N/A GLU 389.A N TYR 381.A O no hydrogen 2.935 N/A PHE 390.A N PHE 601.A O no hydrogen 2.990 N/A GLU 391.A N TYR 379.A O no hydrogen 2.841 N/A ALA 392.A N VAL 599.A O no hydrogen 2.828 N/A LYS 393.A N GLY 377.A O no hydrogen 2.725 N/A ALA 394.A N ASP 597.A O no hydrogen 2.853 N/A THR 395.A N ASP 375.A O no hydrogen 2.904 N/A THR 395.A OG1 MET 594.A O no hydrogen 2.694 N/A GLY 396.A N THR 395.A OG1 no hydrogen 2.617 N/A VAL 397.A N ASN 373.A O no hydrogen 2.846 N/A THR 400.A OG1 TRP 160.A O no hydrogen 2.520 N/A SER 401.A N GLY 419.A O no hydrogen 2.933 N/A SER 401.A OG ALA 402.A O no hydrogen 3.160 N/A ALA 402.A N ASP 165.A OD2 no hydrogen 2.870 N/A PHE 403.A N GLY 417.A O no hydrogen 2.870 N/A GLY 407.A N PRO 404.A O no hydrogen 2.975 N/A ASN 410.A N SER 408.A OG no hydrogen 3.034 N/A SER 412.A N ALA 420.A O no hydrogen 3.078 N/A SER 412.A OG ALA 420.A O no hydrogen 3.338 N/A SER 412.A OG PRO 586.A O no hydrogen 2.668 N/A LEU 414.A N LEU 418.A O no hydrogen 2.842 N/A GLY 417.A N GLN 413.A OE1 no hydrogen 3.353 N/A LEU 418.A N ALA 415.A O no hydrogen 2.915 N/A GLY 419.A N SER 401.A O no hydrogen 2.753 N/A ALA 420.A N SER 412.A O no hydrogen 2.842 N/A PHE 422.A N ASN 410.A O no hydrogen 2.947 N/A HIS 423.A N HIS 584.A O no hydrogen 3.218 N/A HIS 423.A ND1 PRO 421.A O no hydrogen 2.811 N/A GLN 424.A N PRO 275.A O no hydrogen 2.954 N/A GLN 424.A NE2 THR 513.A O no hydrogen 2.902 N/A GLN 424.A NE2 THR 583.A OG1 no hydrogen 3.157 N/A HIS 425.A N LEU 582.A O no hydrogen 2.847 N/A ILE 426.A N VAL 273.A O no hydrogen 2.804 N/A PHE 427.A N PHE 580.A O no hydrogen 2.757 N/A SER 428.A N GLU 271.A O no hydrogen 2.873 N/A ALA 429.A N HIS 578.A O no hydrogen 2.871 N/A ARG 430.A N SER 268.A O no hydrogen 2.620 N/A ARG 430.A NE GLU 542.A O no hydrogen 3.456 N/A LEU 431.A N VAL 576.A O no hydrogen 2.699 N/A ASP 432.A N ARG 266.A O no hydrogen 2.826 N/A MET 433.A N ILE 574.A O no hydrogen 3.246 N/A ALA 434.A N ILE 263.A O no hydrogen 2.937 N/A ASP 436.A N PRO 262.A O no hydrogen 2.759 N/A GLY 437.A N ALA 434.A O no hydrogen 3.182 N/A ASN 440.A N GLN 572.A O no hydrogen 2.939 N/A ARG 441.A N SER 490.A O no hydrogen 2.974 N/A ARG 441.A NE SER 490.A OG no hydrogen 3.136 N/A GLU 443.A N ILE 488.A O no hydrogen 2.881 N/A GLU 444.A N THR 467.A O no hydrogen 2.873 N/A GLU 445.A N THR 486.A O no hydrogen 2.828 N/A ASP 446.A N LYS 465.A O no hydrogen 3.020 N/A VAL 447.A N THR 483.A O no hydrogen 2.801 N/A VAL 448.A N SER 463.A O no hydrogen 2.792 N/A GLY 453.A N ASN 456.A O no hydrogen 2.891 N/A GLY 455.A N GLU 457.A OE2 no hydrogen 2.657 N/A ASN 456.A N GLY 453.A O no hydrogen 2.639 N/A ASN 456.A ND2 THR 451.A O no hydrogen 3.102 N/A GLY 459.A N ASN 456.A O no hydrogen 3.058 N/A ALA 461.A N ASN 456.A OD1 no hydrogen 3.061 N/A SER 463.A N VAL 448.A O no hydrogen 2.703 N/A SER 463.A OG ARG 464.A O no hydrogen 3.458 N/A ARG 464.A NH2 GLU 445.A OE2 no hydrogen 3.290 N/A LYS 465.A N ASP 446.A O no hydrogen 2.879 N/A ARG 466.A NE GLU 445.A OE1 no hydrogen 2.699 N/A ARG 466.A NH2 GLU 445.A OE1 no hydrogen 2.891 N/A ARG 466.A NH2 GLU 606.A OE2 no hydrogen 3.276 N/A THR 467.A N GLU 444.A O no hydrogen 2.994 N/A LEU 469.A N VAL 442.A O no hydrogen 2.906 N/A THR 470.A N GLU 474.A OE2 no hydrogen 2.802 N/A THR 470.A OG1 GLU 474.A OE2 no hydrogen 3.000 N/A ARG 471.A NH1 ASP 566.A O no hydrogen 3.199 N/A GLU 472.A N ARG 567.A O no hydrogen 3.078 N/A SER 473.A N ASP 566.A OD2 no hydrogen 3.228 N/A SER 473.A OG ASP 566.A OD2 no hydrogen 2.841 N/A GLU 474.A N ARG 471.A O no hydrogen 2.871 N/A ALA 475.A N GLU 472.A O no hydrogen 2.869 N/A ARG 477.A N LEU 533.A O no hydrogen 2.717 N/A ARG 477.A NE GLU 444.A OE2 no hydrogen 2.731 N/A ARG 477.A NH1 GLU 474.A O no hydrogen 2.917 N/A ARG 477.A NH2 GLU 444.A OE1 no hydrogen 2.786 N/A ALA 479.A N ASP 532.A OD1 no hydrogen 2.919 N/A THR 483.A N ASP 480.A O no hydrogen 3.159 N/A THR 483.A N ASP 480.A OD1 no hydrogen 3.271 N/A THR 483.A OG1 ASP 480.A O no hydrogen 3.372 N/A GLY 484.A N ALA 481.A O no hydrogen 2.954 N/A ARG 485.A N ASP 480.A O no hydrogen 3.093 N/A ARG 485.A NE ASP 446.A OD1 no hydrogen 2.786 N/A ARG 485.A NH1 GLU 478.A O no hydrogen 3.023 N/A ARG 485.A NH2 ASP 446.A OD2 no hydrogen 2.807 N/A THR 486.A N GLU 445.A O no hydrogen 3.031 N/A TRP 487.A N LEU 506.A O no hydrogen 3.406 N/A TRP 487.A NE1 GLU 444.A OE2 no hydrogen 2.961 N/A ILE 488.A N GLU 443.A O no hydrogen 2.836 N/A ILE 489.A N TYR 504.A O no hydrogen 2.803 N/A SER 490.A N ARG 441.A O no hydrogen 2.944 N/A ASN 491.A N VAL 502.A O no hydrogen 3.069 N/A ASN 491.A ND2 ILE 435.A O no hydrogen 2.899 N/A GLU 493.A N ASN 491.A OD1 no hydrogen 2.760 N/A SER 494.A N ASN 491.A O no hydrogen 3.181 N/A SER 494.A OG ASP 436.A OD2 no hydrogen 2.675 N/A ASN 496.A N GLU 500.A O no hydrogen 2.796 N/A ASN 496.A ND2 GLY 607.A O no hydrogen 2.925 N/A ARG 497.A N ASP 610.A OD1 no hydrogen 2.850 N/A ARG 497.A NE ASP 610.A O no hydrogen 3.351 N/A LEU 498.A N ASN 496.A OD1 no hydrogen 2.899 N/A ASN 499.A N ASN 496.A O no hydrogen 2.750 N/A GLU 500.A N ASN 496.A OD1 no hydrogen 2.966 N/A VAL 502.A N SER 494.A O no hydrogen 2.878 N/A TYR 504.A N ILE 489.A O no hydrogen 2.870 N/A TYR 504.A OH GLY 386.A O no hydrogen 2.672 N/A LYS 505.A N ARG 604.A O no hydrogen 2.723 N/A LYS 505.A NZ GLU 445.A OE2 no hydrogen 2.657 N/A LEU 506.A N TRP 487.A O no hydrogen 2.671 N/A HIS 507.A N LYS 602.A O no hydrogen 2.775 N/A LEU 514.A N ALA 529.A O no hydrogen 2.783 N/A LEU 515.A N GLN 424.A OE1 no hydrogen 3.239 N/A GLY 519.A N ASP 517.A OD1 no hydrogen 2.612 N/A SER 520.A N ASP 517.A O no hydrogen 2.985 N/A SER 520.A OG ASP 517.A O no hydrogen 2.522 N/A ALA 523.A N SER 520.A OG no hydrogen 3.268 N/A ARG 524.A N SER 521.A O no hydrogen 3.023 N/A ARG 525.A N SER 521.A O no hydrogen 2.912 N/A ARG 525.A NH2 GLU 293.A OE2 no hydrogen 2.865 N/A ARG 525.A NH2 VAL 550.A O no hydrogen 3.084 N/A ALA 526.A N ILE 522.A O no hydrogen 2.817 N/A ALA 529.A N ALA 526.A O no hydrogen 2.896 N/A THR 530.A N ALA 527.A O no hydrogen 2.961 N/A THR 530.A OG1 ALA 527.A O no hydrogen 2.568 N/A LYS 531.A N PHE 528.A O no hydrogen 3.520 N/A LYS 531.A NZ GLU 478.A OE1 no hydrogen 2.522 N/A LEU 533.A N ARG 477.A O no hydrogen 3.047 N/A TRP 534.A N TRP 577.A O no hydrogen 2.875 N/A TRP 534.A NE1 PHE 528.A O no hydrogen 3.151 N/A VAL 535.A N ALA 475.A O no hydrogen 3.009 N/A THR 536.A N VAL 575.A O no hydrogen 2.906 N/A ARG 537.A N GLU 472.A OE2 no hydrogen 2.704 N/A ARG 537.A NH1 ASP 568.A O no hydrogen 2.966 N/A TYR 538.A N ASP 573.A O no hydrogen 2.848 N/A ASP 541.A N ASP 541.A OD1 no hydrogen 2.542 N/A GLU 542.A N ALA 539.A O no hydrogen 3.171 N/A THR 546.A OG1 GLU 271.A OE2 no hydrogen 2.633 N/A GLY 547.A N TYR 544.A O no hydrogen 3.073 N/A ASN 551.A ND2 LEU 90.A O no hydrogen 3.245 N/A GLN 552.A NE2 ARG 142.A O no hydrogen 2.951 N/A HIS 553.A N VAL 550.A O no hydrogen 3.039 N/A GLY 555.A N HIS 553.A ND1 no hydrogen 2.692 N/A GLY 556.A N ARG 524.A O no hydrogen 3.227 N/A LEU 559.A N PRO 545.A O no hydrogen 3.053 N/A SER 561.A OG GLY 556.A O no hydrogen 3.073 N/A TYR 562.A N GLY 558.A O no hydrogen 2.968 N/A TYR 562.A OH TYR 544.A O no hydrogen 2.933 N/A ILE 563.A N LEU 559.A O no hydrogen 2.779 N/A ALA 564.A N PRO 560.A O no hydrogen 3.159 N/A GLN 565.A N TYR 562.A O no hydrogen 3.008 N/A GLN 565.A NE2 GLU 542.A OE2 no hydrogen 2.679 N/A GLN 565.A NE2 TYR 562.A O no hydrogen 3.097 N/A ASP 566.A N ILE 563.A O no hydrogen 2.821 N/A ARG 567.A N GLU 472.A OE1 no hydrogen 2.808 N/A ARG 567.A NE GLU 472.A OE1 no hydrogen 2.786 N/A ARG 567.A NE GLU 472.A OE2 no hydrogen 3.306 N/A ARG 567.A NH1 GLU 542.A OE2 no hydrogen 2.887 N/A ARG 567.A NH2 GLU 472.A OE1 no hydrogen 3.528 N/A ARG 567.A NH2 GLU 472.A OE2 no hydrogen 2.915 N/A ARG 567.A NH2 GLU 542.A OE1 no hydrogen 2.757 N/A ARG 567.A NH2 GLU 542.A OE2 no hydrogen 3.132 N/A ILE 569.A N THR 470.A O no hydrogen 2.935 N/A ASP 570.A N ASP 568.A OD1 no hydrogen 3.017 N/A GLN 572.A N ASN 440.A O no hydrogen 2.856 N/A GLN 572.A NE2 ASP 568.A OD2 no hydrogen 2.677 N/A VAL 575.A N THR 536.A O no hydrogen 2.812 N/A VAL 576.A N LEU 431.A O no hydrogen 2.762 N/A TRP 577.A N TRP 534.A O no hydrogen 2.777 N/A TRP 577.A NE1 THR 536.A OG1 no hydrogen 2.844 N/A HIS 578.A N ALA 429.A O no hydrogen 2.933 N/A HIS 578.A ND1 ASP 532.A O no hydrogen 2.763 N/A THR 579.A N ASP 532.A O no hydrogen 2.762 N/A THR 579.A OG1 PHE 528.A O no hydrogen 2.621 N/A THR 579.A OG1 LYS 531.A O no hydrogen 3.011 N/A PHE 580.A N PHE 427.A O no hydrogen 3.063 N/A LEU 582.A N HIS 425.A O no hydrogen 2.794 N/A HIS 584.A N HIS 423.A O no hydrogen 2.786 N/A HIS 584.A NE2 ASP 597.A OD2 no hydrogen 2.541 N/A ARG 587.A N ASP 590.A OD2 no hydrogen 2.843 N/A ARG 587.A NE ASP 590.A OD2 no hydrogen 3.146 N/A ARG 587.A NH2 ASP 590.A OD1 no hydrogen 2.929 N/A GLU 589.A N GLU 589.A OE1 no hydrogen 2.780 N/A ASP 590.A N ARG 587.A O no hydrogen 2.954 N/A TRP 591.A N VAL 588.A O no hydrogen 3.023 N/A MET 594.A N GLY 396.A O no hydrogen 2.936 N/A ASP 597.A N ALA 394.A O no hydrogen 2.916 N/A THR 598.A OG1 GLU 391.A OE2 no hydrogen 3.441 N/A VAL 599.A N ALA 392.A O no hydrogen 3.288 N/A PHE 601.A N PHE 390.A O no hydrogen 3.212 N/A LYS 602.A N HIS 507.A O no hydrogen 3.236 N/A LEU 603.A N ILE 388.A O no hydrogen 2.718 N/A ARG 604.A N LYS 505.A O no hydrogen 2.906 N/A GLU 606.A N GLY 503.A O no hydrogen 2.683 N/A VAL 614.A N SER 612.A OG no hydrogen 3.251 N/A VAL 617.A N VAL 614.A O no hydrogen 3.402 N/A