Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE GLU 34.A OE1 no hydrogen 3.138 N/A ARG 7.A NE GLU 34.A OE2 no hydrogen 2.591 N/A ARG 7.A NH2 GLU 34.A OE1 no hydrogen 2.915 N/A GLY 9.A N PRO 23.A O no hydrogen 2.661 N/A GLN 11.A NE2 ASP 13.A OD1 no hydrogen 3.024 N/A ASP 13.A N VAL 20.A O no hydrogen 2.842 N/A TYR 15.A N GLN 18.A O no hydrogen 2.808 N/A GLN 18.A N TYR 15.A O no hydrogen 2.816 N/A VAL 20.A N ASP 13.A O no hydrogen 2.801 N/A ASP 22.A N GLN 11.A O no hydrogen 2.974 N/A ARG 25.A N ASP 22.A O no hydrogen 3.068 N/A ARG 25.A NH1 ASP 13.A OD1 no hydrogen 3.457 N/A ARG 25.A NH1 ASP 13.A OD2 no hydrogen 3.020 N/A ARG 25.A NH1 ASP 22.A OD2 no hydrogen 2.818 N/A ARG 25.A NH2 ASP 13.A OD1 no hydrogen 2.908 N/A TRP 26.A NE1 ARG 7.A O no hydrogen 2.743 N/A LEU 27.A N TYR 24.A O no hydrogen 2.763 N/A GLU 28.A N ARG 25.A O no hydrogen 2.934 N/A ASP 29.A N TRP 26.A O no hydrogen 3.444 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 2.964 N/A SER 32.A N ASP 29.A O no hydrogen 3.443 N/A SER 32.A OG ASP 29.A O no hydrogen 3.345 N/A SER 32.A OG THR 35.A OG1 no hydrogen 3.048 N/A THR 35.A N SER 32.A OG no hydrogen 3.176 N/A THR 35.A OG1 ASP 29.A O no hydrogen 2.750 N/A THR 35.A OG1 SER 32.A OG no hydrogen 3.048 N/A GLU 36.A N SER 32.A O no hydrogen 2.972 N/A ALA 37.A N PRO 33.A O no hydrogen 3.052 N/A TRP 38.A N GLU 34.A O no hydrogen 3.162 N/A TRP 38.A NE1 THR 6.A OG1 no hydrogen 2.895 N/A VAL 39.A N THR 35.A O no hydrogen 2.840 N/A LYS 40.A N GLU 36.A O no hydrogen 3.172 N/A ALA 41.A N ALA 37.A O no hydrogen 2.995 N/A GLN 42.A N TRP 38.A O no hydrogen 2.830 N/A GLN 42.A NE2 GLN 624.A OE1 no hydrogen 3.043 N/A ASN 43.A N VAL 39.A O no hydrogen 2.931 N/A ALA 44.A N LYS 40.A O no hydrogen 3.111 N/A VAL 45.A N ALA 41.A O no hydrogen 3.228 N/A THR 46.A N GLN 42.A O no hydrogen 2.946 N/A THR 46.A OG1 GLN 42.A O no hydrogen 3.206 N/A THR 46.A OG1 ILE 635.A O no hydrogen 2.637 N/A GLN 47.A N ASN 43.A O no hydrogen 2.849 N/A ASP 48.A N ALA 44.A O no hydrogen 3.055 N/A TYR 49.A N VAL 45.A O no hydrogen 2.984 N/A TYR 49.A OH GLU 658.A OE2 no hydrogen 2.469 N/A LEU 50.A N THR 46.A O no hydrogen 2.999 N/A ALA 51.A N GLN 47.A O no hydrogen 2.918 N/A GLN 52.A N TYR 49.A O no hydrogen 3.308 N/A GLN 52.A NE2 TYR 49.A O no hydrogen 3.031 N/A ILE 53.A N LEU 50.A O no hydrogen 3.048 N/A TYR 55.A OH TYR 661.A O no hydrogen 2.707 N/A ARG 56.A N ILE 53.A O no hydrogen 3.376 N/A ARG 56.A NH1 ASP 650.A OD1 no hydrogen 2.728 N/A ILE 59.A N TYR 55.A O no hydrogen 3.163 N/A LYS 60.A N ARG 56.A O no hydrogen 3.039 N/A LYS 60.A NZ GLU 646.A OE1 no hydrogen 3.040 N/A GLU 61.A N ALA 57.A O no hydrogen 2.909 N/A LYS 62.A N ALA 58.A O no hydrogen 3.062 N/A LEU 63.A N ILE 59.A O no hydrogen 3.031 N/A ALA 64.A N LYS 60.A O no hydrogen 2.940 N/A ALA 65.A N GLU 61.A O no hydrogen 3.012 N/A SER 66.A N LYS 62.A O no hydrogen 3.104 N/A SER 66.A N LEU 63.A O no hydrogen 3.145 N/A SER 66.A OG LYS 62.A O no hydrogen 2.887 N/A SER 66.A OG LEU 63.A O no hydrogen 3.368 N/A LYS 71.A N ASN 87.A O no hydrogen 2.842 N/A LYS 71.A NZ TYR 69.A O no hydrogen 3.028 N/A GLY 73.A N PHE 85.A O no hydrogen 2.747 N/A PHE 76.A N TYR 83.A O no hydrogen 2.823 N/A ARG 77.A NH2 GLY 79.A O no hydrogen 2.716 N/A GLU 78.A N TYR 81.A O no hydrogen 2.976 N/A ARG 80.A NE GLU 154.A OE2 no hydrogen 2.924 N/A ARG 80.A NH2 GLU 154.A OE1 no hydrogen 3.067 N/A ARG 80.A NH2 GLU 154.A OE2 no hydrogen 3.536 N/A TYR 81.A N GLU 78.A O no hydrogen 3.288 N/A TYR 81.A OH GLU 154.A OE1 no hydrogen 2.827 N/A HIS 82.A N GLN 99.A O no hydrogen 2.922 N/A TYR 83.A N PHE 76.A O no hydrogen 2.732 N/A PHE 84.A N TRP 97.A O no hydrogen 2.945 N/A LYS 86.A N VAL 95.A O no hydrogen 2.902 N/A ASN 87.A N LYS 71.A O no hydrogen 2.933 N/A ASN 87.A ND2 GLN 91.A O no hydrogen 3.080 N/A ASN 87.A ND2 ASN 94.A OD1 no hydrogen 2.987 N/A ASP 88.A N GLN 91.A OE1 no hydrogen 2.811 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 2.774 N/A LEU 90.A N ASP 88.A OD2 no hydrogen 2.749 N/A GLN 91.A N ASP 88.A OD2 no hydrogen 2.961 N/A GLN 93.A N ASN 112.A OD1 no hydrogen 2.710 N/A GLN 93.A NE2 THR 120.A O no hydrogen 2.790 N/A VAL 95.A N LYS 86.A O no hydrogen 2.808 N/A LEU 96.A N LEU 109.A O no hydrogen 2.940 N/A TRP 97.A N PHE 84.A O no hydrogen 2.838 N/A ARG 98.A N GLU 106.A O no hydrogen 2.951 N/A ARG 98.A NE GLU 106.A OE1 no hydrogen 2.902 N/A ARG 98.A NH1 TYR 83.A OH no hydrogen 3.109 N/A ARG 98.A NH1 VAL 153.A O no hydrogen 2.922 N/A ARG 98.A NH2 GLU 106.A OE1 no hydrogen 3.503 N/A ARG 98.A NH2 VAL 153.A O no hydrogen 3.122 N/A GLN 99.A N HIS 82.A O no hydrogen 2.794 N/A GLN 99.A NE2 LYS 103.A O no hydrogen 2.912 N/A LYS 103.A N GLN 100.A O no hydrogen 2.788 N/A GLU 106.A N ARG 98.A O no hydrogen 2.925 N/A PHE 108.A N LEU 96.A O no hydrogen 2.736 N/A LEU 109.A N LEU 96.A O no hydrogen 2.973 N/A ASN 112.A N ASP 110.A OD2 no hydrogen 3.094 N/A ASN 112.A ND2 GLN 93.A O no hydrogen 2.933 N/A ASN 112.A ND2 ASP 110.A OD2 no hydrogen 2.897 N/A THR 113.A N ASP 110.A O no hydrogen 3.348 N/A THR 113.A OG1 ASP 110.A O no hydrogen 3.062 N/A LEU 114.A N PRO 111.A O no hydrogen 2.890 N/A SER 115.A OG THR 119.A OG1 no hydrogen 3.312 N/A GLY 118.A N SER 115.A O no hydrogen 2.634 N/A THR 119.A N SER 115.A OG no hydrogen 2.721 N/A THR 119.A OG1 SER 115.A OG no hydrogen 3.312 N/A THR 120.A N SER 115.A OG no hydrogen 3.060 N/A ALA 121.A N SER 139.A O no hydrogen 2.837 N/A LEU 122.A N GLN 93.A OE1 no hydrogen 2.936 N/A ASP 123.A N SER 137.A O no hydrogen 2.789 N/A GLN 124.A N SER 137.A OG no hydrogen 2.828 N/A SER 126.A N ALA 135.A O no hydrogen 2.785 N/A SER 126.A OG ILE 171.A O no hydrogen 3.086 N/A SER 128.A N ILE 133.A O no hydrogen 2.859 N/A SER 128.A OG ASP 130.A OD1 no hydrogen 2.750 N/A SER 128.A OG ILE 133.A O no hydrogen 3.358 N/A ARG 129.A N GLY 175.A O no hydrogen 3.127 N/A ARG 129.A NE ASP 228.A OD2 no hydrogen 3.028 N/A ARG 129.A NH2 ASP 228.A OD1 no hydrogen 2.742 N/A ASP 130.A N ASN 176.A OD1 no hydrogen 2.809 N/A GLY 131.A N SER 128.A O no hydrogen 2.862 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.724 N/A ILE 133.A N SER 128.A OG no hydrogen 3.112 N/A LEU 134.A N MET 151.A O no hydrogen 2.869 N/A ALA 135.A N SER 126.A O no hydrogen 2.913 N/A TYR 136.A N HIS 149.A O no hydrogen 2.927 N/A SER 137.A N GLN 124.A O no hydrogen 2.798 N/A LEU 138.A N GLU 147.A O no hydrogen 3.079 N/A SER 139.A N ALA 121.A O no hydrogen 2.902 N/A ALA 141.A N THR 119.A O no hydrogen 3.025 N/A SER 143.A N LEU 140.A O no hydrogen 3.291 N/A TRP 145.A N SER 143.A OG no hydrogen 3.060 N/A ARG 146.A N VAL 166.A O no hydrogen 2.831 N/A ARG 146.A NE ASP 123.A OD2 no hydrogen 2.697 N/A ARG 146.A NH1 SER 143.A O no hydrogen 2.857 N/A ARG 146.A NH1 TRP 145.A O no hydrogen 2.885 N/A ARG 146.A NH2 ASP 123.A OD2 no hydrogen 3.227 N/A GLU 147.A N LEU 138.A O no hydrogen 3.315 N/A ILE 148.A N LEU 163.A O no hydrogen 2.910 N/A HIS 149.A N TYR 136.A O no hydrogen 2.723 N/A MET 151.A N LEU 134.A O no hydrogen 2.825 N/A ASP 152.A N GLN 157.A O no hydrogen 2.980 N/A VAL 153.A N ARG 132.A O no hydrogen 3.062 N/A SER 155.A N ASP 152.A OD2 no hydrogen 2.846 N/A SER 155.A OG ASP 152.A OD2 no hydrogen 3.000 N/A LYS 156.A N ASP 152.A O no hydrogen 2.744 N/A LYS 156.A NZ VAL 107.A O no hydrogen 3.534 N/A LYS 156.A NZ PHE 108.A O no hydrogen 3.068 N/A GLN 157.A N SER 155.A OG no hydrogen 3.267 N/A LEU 159.A N LEU 150.A O no hydrogen 2.716 N/A LEU 163.A N ILE 148.A O no hydrogen 2.872 N/A LYS 164.A N GLN 202.A OE1 no hydrogen 2.847 N/A LYS 164.A NZ GLU 147.A OE2 no hydrogen 3.104 N/A VAL 166.A N ARG 146.A O no hydrogen 3.139 N/A SER 169.A OG GLY 170.A O no hydrogen 2.606 N/A SER 172.A N PHE 180.A O no hydrogen 3.143 N/A TRP 173.A NE1 SER 126.A O no hydrogen 2.872 N/A LEU 174.A N GLY 178.A O no hydrogen 2.851 N/A GLY 175.A N ASP 228.A OD1 no hydrogen 2.772 N/A GLU 177.A N LEU 174.A O no hydrogen 3.136 N/A PHE 179.A N HIS 196.A O no hydrogen 3.038 N/A PHE 180.A N SER 172.A O no hydrogen 2.814 N/A TYR 181.A N TYR 194.A O no hydrogen 2.951 N/A TYR 181.A OH PRO 187.A O no hydrogen 2.901 N/A TYR 181.A OH ASP 205.A OD2 no hydrogen 2.513 N/A SER 182.A N SER 169.A OG no hydrogen 2.925 N/A SER 182.A OG VAL 220.A O no hydrogen 2.810 N/A SER 183.A N LYS 192.A O no hydrogen 2.898 N/A SER 183.A OG ASP 165.A O no hydrogen 2.965 N/A TYR 184.A OH ARG 218.A O no hydrogen 2.673 N/A ASP 185.A N SER 183.A OG no hydrogen 3.364 N/A HIS 191.A N HIS 217.A O no hydrogen 2.875 N/A HIS 191.A NE2 LYS 167.A O no hydrogen 2.790 N/A LYS 192.A N SER 183.A O no hydrogen 2.879 N/A LYS 192.A NZ TYR 184.A O no hydrogen 2.928 N/A LYS 192.A NZ GLN 190.A O no hydrogen 2.754 N/A VAL 193.A N PHE 209.A O no hydrogen 2.974 N/A TYR 194.A N TYR 181.A O no hydrogen 2.841 N/A TYR 194.A OH ASP 185.A O no hydrogen 2.703 N/A PHE 195.A N ARG 206.A O no hydrogen 2.953 N/A HIS 196.A N PHE 179.A O no hydrogen 2.844 N/A HIS 196.A ND1 ASP 205.A OD1 no hydrogen 2.757 N/A HIS 196.A NE2 GLU 160.A OE1 no hydrogen 2.700 N/A ARG 197.A NH1 GLU 177.A OE1 no hydrogen 3.075 N/A LEU 198.A N GLU 177.A O no hydrogen 2.873 N/A GLY 199.A N GLU 160.A OE2 no hydrogen 2.599 N/A THR 200.A N ARG 197.A O no hydrogen 3.305 N/A THR 200.A OG1 ARG 197.A O no hydrogen 2.661 N/A GLN 202.A NE2 LYS 164.A O no hydrogen 3.047 N/A GLN 202.A NE2 PRO 187.A O no hydrogen 3.290 N/A ASP 204.A N ALA 201.A O no hydrogen 2.860 N/A ASP 205.A N GLN 202.A O no hydrogen 2.897 N/A ARG 206.A N PHE 195.A O no hydrogen 3.232 N/A VAL 208.A N VAL 193.A O no hydrogen 2.734 N/A PHE 209.A N VAL 193.A O no hydrogen 3.424 N/A GLY 210.A N GLN 215.A OE1 no hydrogen 2.725 N/A GLN 215.A N ILE 212.A O no hydrogen 2.757 N/A HIS 216.A N PRO 213.A O no hydrogen 3.167 N/A HIS 216.A NE2 ALA 211.A O no hydrogen 2.809 N/A HIS 217.A ND1 GLN 215.A O no hydrogen 2.812 N/A TYR 219.A N ALA 236.A O no hydrogen 2.837 N/A VAL 220.A N HIS 191.A ND1 no hydrogen 3.006 N/A GLY 221.A N SER 234.A O no hydrogen 2.909 N/A THR 223.A N LEU 232.A O no hydrogen 2.889 N/A VAL 224.A N SER 172.A OG no hydrogen 2.798 N/A THR 225.A N PHE 230.A O no hydrogen 2.983 N/A THR 225.A OG1 ASP 227.A OD1 no hydrogen 2.712 N/A THR 225.A OG1 ASN 272.A OD1 no hydrogen 3.167 N/A ASP 228.A N THR 225.A O no hydrogen 2.748 N/A ARG 229.A N ASP 227.A OD1 no hydrogen 2.845 N/A ARG 229.A NE ASP 248.A OD1 no hydrogen 3.541 N/A ARG 229.A NH2 ASP 248.A OD2 no hydrogen 3.144 N/A PHE 230.A N THR 225.A OG1 no hydrogen 3.132 N/A LEU 231.A N LYS 247.A O no hydrogen 2.968 N/A LEU 232.A N THR 223.A O no hydrogen 2.806 N/A ILE 233.A N TYR 245.A O no hydrogen 2.888 N/A SER 234.A N GLY 221.A O no hydrogen 2.868 N/A ALA 235.A N ARG 243.A O no hydrogen 3.042 N/A ALA 236.A N TYR 219.A O no hydrogen 2.762 N/A ASN 237.A ND2 ALA 236.A O no hydrogen 3.432 N/A SER 238.A OG SER 240.A OG no hydrogen 3.428 N/A SER 240.A N SER 238.A OG no hydrogen 3.401 N/A SER 240.A OG SER 238.A OG no hydrogen 3.428 N/A GLY 241.A N ASP 266.A OD1 no hydrogen 2.918 N/A ASN 242.A N ALA 265.A O no hydrogen 3.158 N/A ASN 242.A ND2 VAL 267.A O no hydrogen 3.317 N/A ARG 243.A N ALA 235.A O no hydrogen 2.743 N/A ARG 243.A NE GLY 261.A O no hydrogen 2.848 N/A ARG 243.A NH1 HIS 217.A NE2 no hydrogen 2.905 N/A LEU 244.A N GLN 260.A O no hydrogen 2.970 N/A TYR 245.A N ILE 233.A O no hydrogen 2.852 N/A VAL 246.A N LEU 257.A O no hydrogen 2.863 N/A LYS 247.A N LEU 231.A O no hydrogen 2.884 N/A LEU 249.A N ARG 229.A O no hydrogen 2.773 N/A SER 250.A N ASP 248.A OD1 no hydrogen 2.915 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.536 N/A GLN 251.A N ASP 248.A O no hydrogen 3.264 N/A LEU 257.A N VAL 246.A O no hydrogen 2.814 N/A VAL 259.A N LEU 244.A O no hydrogen 2.792 N/A GLN 260.A N LEU 244.A O no hydrogen 3.065 N/A ASP 264.A N ASP 262.A OD1 no hydrogen 2.892 N/A ASP 266.A N ASN 282.A OD1 no hydrogen 2.812 N/A SER 268.A N LEU 280.A O no hydrogen 2.877 N/A VAL 270.A N TYR 278.A O no hydrogen 2.806 N/A ASP 271.A N TYR 278.A O no hydrogen 3.485 N/A ASN 272.A ND2 ASP 227.A OD2 no hydrogen 2.803 N/A ASN 272.A ND2 GLY 274.A O no hydrogen 3.063 N/A LYS 273.A N THR 276.A O no hydrogen 2.975 N/A LYS 273.A NZ GLU 341.A OE2 no hydrogen 3.068 N/A SER 275.A OG ASP 294.A OD1 no hydrogen 2.786 N/A THR 276.A N LYS 273.A O no hydrogen 3.021 N/A LEU 277.A N VAL 293.A O no hydrogen 2.774 N/A TYR 278.A N ASP 271.A O no hydrogen 2.870 N/A TYR 278.A OH TYR 340.A O no hydrogen 2.608 N/A LEU 279.A N VAL 291.A O no hydrogen 2.794 N/A LEU 280.A N SER 268.A O no hydrogen 2.879 N/A THR 281.A N ARG 289.A O no hydrogen 3.050 N/A THR 281.A OG1 ASP 266.A O no hydrogen 2.769 N/A ASN 282.A N ASP 266.A O no hydrogen 3.106 N/A ASN 282.A ND2 ASP 266.A OD2 no hydrogen 2.873 N/A ARG 283.A N THR 281.A OG1 no hydrogen 2.998 N/A ARG 283.A NH1 ASP 262.A OD1 no hydrogen 3.138 N/A ARG 283.A NH1 ASP 262.A OD2 no hydrogen 3.394 N/A ARG 283.A NH2 ASP 262.A OD2 no hydrogen 3.122 N/A ALA 285.A N ASN 282.A O no hydrogen 2.906 N/A ASN 287.A N GLU 309.A OE1 no hydrogen 2.853 N/A ARG 288.A N ALA 285.A O no hydrogen 2.787 N/A ARG 288.A NE LEU 314.A O no hydrogen 2.845 N/A ARG 288.A NH2 LEU 314.A O no hydrogen 2.695 N/A ARG 289.A N THR 281.A O no hydrogen 2.954 N/A ARG 289.A NE ARG 283.A O no hydrogen 3.077 N/A ARG 289.A NH1 ASP 305.A OD1 no hydrogen 2.655 N/A ARG 289.A NH2 ARG 283.A O no hydrogen 3.057 N/A LEU 290.A N ILE 307.A O no hydrogen 3.005 N/A VAL 291.A N LEU 279.A O no hydrogen 2.772 N/A THR 292.A N ARG 304.A O no hydrogen 2.810 N/A VAL 293.A N LEU 277.A O no hydrogen 3.044 N/A ALA 295.A N SER 275.A O no hydrogen 2.741 N/A ALA 296.A N ASP 294.A OD2 no hydrogen 2.978 N/A ASN 297.A N ASP 294.A O no hydrogen 3.104 N/A HIS 302.A N GLY 299.A O no hydrogen 2.897 N/A TRP 303.A N PRO 300.A O no hydrogen 3.215 N/A TRP 303.A NE1 PRO 298.A O no hydrogen 2.854 N/A ARG 304.A N THR 292.A O no hydrogen 2.880 N/A LEU 306.A N LEU 290.A O no hydrogen 2.767 N/A ILE 307.A N LEU 290.A O no hydrogen 3.016 N/A ARG 310.A NH2 GLU 336.A OE1 no hydrogen 3.512 N/A ARG 310.A NH2 GLU 336.A OE2 no hydrogen 2.625 N/A LEU 314.A N ASN 287.A O no hydrogen 2.896 N/A THR 315.A N GLU 326.A O no hydrogen 3.076 N/A HIS 317.A N PHE 324.A O no hydrogen 2.950 N/A HIS 317.A NE2 GLU 326.A OE1 no hydrogen 2.705 N/A GLY 319.A N TYR 322.A O no hydrogen 3.011 N/A SER 320.A N LYS 362.A O no hydrogen 2.878 N/A SER 320.A OG ASP 365.A O no hydrogen 2.824 N/A TYR 322.A N GLY 319.A O no hydrogen 2.970 N/A LEU 323.A N PHE 338.A O no hydrogen 2.864 N/A PHE 324.A N HIS 317.A O no hydrogen 2.709 N/A ALA 325.A N GLU 336.A O no hydrogen 2.871 N/A GLU 326.A N THR 315.A O no hydrogen 2.800 N/A TYR 327.A N ARG 334.A O no hydrogen 2.937 N/A VAL 329.A N THR 332.A O no hydrogen 2.772 N/A THR 332.A N VAL 329.A O no hydrogen 3.143 N/A THR 332.A OG1 VAL 329.A O no hydrogen 3.429 N/A ALA 333.A N GLY 354.A O no hydrogen 2.793 N/A ARG 334.A N TYR 327.A O no hydrogen 2.850 N/A ARG 334.A NH1 THR 332.A OG1 no hydrogen 2.752 N/A ARG 334.A NH1 ALA 333.A O no hydrogen 2.984 N/A GLU 336.A N ALA 325.A O no hydrogen 2.904 N/A GLN 337.A N ARG 346.A O no hydrogen 2.797 N/A GLN 337.A NE2 PRO 386.A O no hydrogen 2.796 N/A PHE 338.A N LEU 323.A O no hydrogen 2.749 N/A ASP 339.A N LYS 343.A O no hydrogen 2.965 N/A TYR 340.A OH ASP 271.A OD2 no hydrogen 2.600 N/A GLU 341.A N ASP 339.A OD1 no hydrogen 2.877 N/A GLY 342.A N ASP 339.A O no hydrogen 3.005 N/A LYS 343.A N ASP 339.A OD1 no hydrogen 2.920 N/A ARG 344.A NE GLU 336.A OE1 no hydrogen 3.098 N/A VAL 345.A N GLN 337.A O no hydrogen 2.679 N/A ARG 346.A N GLN 337.A O no hydrogen 3.404 N/A ARG 346.A NH1 GLN 337.A OE1 no hydrogen 2.741 N/A ARG 346.A NH1 PRO 386.A O no hydrogen 3.041 N/A ARG 346.A NH2 LYS 387.A O no hydrogen 3.090 N/A VAL 348.A N VAL 335.A O no hydrogen 2.777 N/A SER 355.A N GLU 373.A O no hydrogen 2.885 N/A SER 355.A OG PRO 453.A O no hydrogen 2.519 N/A SER 357.A N GLY 371.A O no hydrogen 3.079 N/A PHE 359.A N TYR 369.A O no hydrogen 2.903 N/A ASN 360.A ND2 HIS 317.A ND1 no hydrogen 2.906 N/A GLY 361.A N SER 318.A O no hydrogen 3.024 N/A LYS 362.A N ASP 365.A OD2 no hydrogen 2.828 N/A LYS 362.A NZ ARG 77.A O no hydrogen 3.263 N/A LYS 362.A NZ GLU 78.A OE1 no hydrogen 3.095 N/A HIS 363.A N GLU 226.A OE1 no hydrogen 2.994 N/A HIS 363.A N GLU 226.A OE2 no hydrogen 3.437 N/A HIS 363.A NE2 ASP 271.A OD2 no hydrogen 2.742 N/A ASP 365.A N LYS 362.A O no hydrogen 3.242 N/A LEU 368.A N PHE 384.A O no hydrogen 3.011 N/A PHE 370.A N TYR 382.A O no hydrogen 3.020 N/A GLY 371.A N SER 357.A O no hydrogen 2.787 N/A PHE 372.A N THR 380.A O no hydrogen 2.923 N/A GLU 373.A N SER 355.A O no hydrogen 3.097 N/A ASN 374.A N GLN 377.A O no hydrogen 3.065 N/A ASN 374.A ND2 LEU 353.A O no hydrogen 3.170 N/A ALA 376.A N ASN 374.A OD1 no hydrogen 2.789 N/A GLN 377.A N ASN 374.A O no hydrogen 3.264 N/A GLN 377.A NE2 THR 380.A OG1 no hydrogen 3.028 N/A GLN 377.A NE2 TYR 382.A OH no hydrogen 2.911 N/A THR 380.A N PHE 372.A O no hydrogen 2.878 N/A THR 380.A OG1 PRO 378.A O no hydrogen 2.666 N/A LEU 381.A N ARG 395.A O no hydrogen 3.004 N/A TYR 382.A N PHE 370.A O no hydrogen 2.891 N/A ARG 383.A N SER 392.A O no hydrogen 2.751 N/A ARG 383.A NE GLU 385.A OE2 no hydrogen 3.472 N/A PHE 384.A N LEU 368.A O no hydrogen 2.748 N/A GLU 385.A N ALA 390.A O no hydrogen 2.738 N/A GLY 389.A N GLU 385.A O no hydrogen 2.591 N/A ALA 390.A N SER 388.A OG no hydrogen 3.177 N/A SER 392.A N ARG 383.A O no hydrogen 2.962 N/A TYR 394.A N LEU 381.A O no hydrogen 2.786 N/A ARG 395.A N LEU 381.A O no hydrogen 3.039 N/A ARG 395.A NE GLU 72.A OE1 no hydrogen 3.522 N/A ARG 395.A NE GLU 72.A OE2 no hydrogen 3.173 N/A ARG 395.A NH1 TYR 394.A O no hydrogen 2.912 N/A ALA 399.A N SER 397.A OG no hydrogen 3.026 N/A PHE 401.A N ALA 399.A O no hydrogen 2.731 N/A GLU 404.A N GLU 404.A OE2 no hydrogen 2.663 N/A ASP 405.A N LYS 402.A O no hydrogen 2.929 N/A TYR 406.A N PRO 403.A O no hydrogen 3.145 N/A TYR 406.A OH ASP 464.A OD1 no hydrogen 2.467 N/A TYR 406.A OH ASP 464.A OD2 no hydrogen 3.299 N/A VAL 407.A N TYR 427.A O no hydrogen 2.806 N/A SER 408.A OG SER 426.A OG no hydrogen 2.597 N/A GLU 409.A N ILE 425.A O no hydrogen 2.861 N/A GLN 410.A NE2 ASP 330.A O no hydrogen 2.811 N/A ARG 411.A N LEU 423.A O no hydrogen 2.839 N/A ARG 411.A NE GLU 409.A OE1 no hydrogen 3.123 N/A ARG 411.A NH1 TYR 506.A OH no hydrogen 2.592 N/A ARG 411.A NH1 GLU 510.A OE1 no hydrogen 3.292 N/A TYR 413.A N VAL 421.A O no hydrogen 2.955 N/A TYR 413.A OH ASP 499.A O no hydrogen 2.704 N/A SER 415.A N THR 419.A O no hydrogen 2.612 N/A SER 415.A OG ASP 499.A OD1 no hydrogen 2.544 N/A GLY 418.A N SER 415.A O no hydrogen 2.841 N/A THR 419.A N ASP 417.A OD1 no hydrogen 2.871 N/A THR 419.A OG1 ASP 417.A OD1 no hydrogen 2.586 N/A THR 419.A OG1 ASP 417.A OD2 no hydrogen 3.406 N/A VAL 421.A N TYR 413.A O no hydrogen 2.748 N/A LEU 423.A N ARG 411.A O no hydrogen 2.827 N/A ILE 424.A N VAL 471.A O no hydrogen 2.907 N/A ILE 425.A N GLU 409.A O no hydrogen 2.881 N/A SER 426.A N TYR 469.A O no hydrogen 2.817 N/A SER 426.A OG SER 408.A OG no hydrogen 2.597 N/A TYR 427.A N VAL 407.A O no hydrogen 2.966 N/A TYR 427.A OH GLU 409.A OE2 no hydrogen 2.445 N/A ARG 428.A NE ASP 464.A OD1 no hydrogen 3.268 N/A ARG 428.A NH2 ASP 464.A OD1 no hydrogen 3.533 N/A LYS 429.A N ASP 405.A O no hydrogen 2.817 N/A LYS 429.A NZ GLU 404.A O no hydrogen 2.721 N/A GLY 435.A N GLY 511.A O no hydrogen 2.637 N/A SER 436.A N ASP 434.A OD1 no hydrogen 3.113 N/A SER 436.A OG ASP 434.A OD1 no hydrogen 2.592 N/A SER 436.A OG ASP 434.A OD2 no hydrogen 3.330 N/A ASN 437.A N TYR 512.A O no hydrogen 3.262 N/A ASN 437.A ND2 LYS 432.A O no hydrogen 2.814 N/A ASN 437.A ND2 TYR 512.A O no hydrogen 2.921 N/A THR 439.A N ARG 517.A O no hydrogen 2.782 N/A THR 439.A OG1 ASN 437.A O no hydrogen 2.877 N/A ILE 440.A N VAL 468.A O no hydrogen 2.957 N/A LEU 441.A N ALA 519.A O no hydrogen 2.875 N/A TYR 442.A N ALA 470.A O no hydrogen 2.735 N/A GLY 443.A N ARG 521.A O no hydrogen 3.393 N/A PHE 447.A N ASP 568.A OD1 no hydrogen 2.826 N/A ASP 448.A N GLY 476.A O no hydrogen 3.014 N/A VAL 449.A N GLY 446.A O no hydrogen 3.061 N/A LEU 451.A N GLU 479.A OE2 no hydrogen 3.134 N/A PHE 455.A N GLU 373.A OE1 no hydrogen 2.799 N/A SER 458.A OG SER 648.A OG no hydrogen 3.328 N/A SER 458.A OG TYR 652.A OH no hydrogen 2.623 N/A VAL 459.A N SER 456.A OG no hydrogen 2.911 N/A ALA 460.A N SER 456.A O no hydrogen 3.012 N/A ASN 461.A N VAL 457.A O no hydrogen 2.858 N/A ASN 461.A ND2 SER 66.A OG no hydrogen 3.078 N/A ASN 461.A ND2 VAL 457.A O no hydrogen 2.924 N/A TRP 462.A N SER 458.A O no hydrogen 3.182 N/A TRP 462.A NE1 VAL 468.A O no hydrogen 2.926 N/A LEU 463.A N VAL 459.A O no hydrogen 2.996 N/A ASP 464.A N ALA 460.A O no hydrogen 3.034 N/A LEU 465.A N ASN 461.A O no hydrogen 3.069 N/A LEU 465.A N TRP 462.A O no hydrogen 3.156 N/A GLY 466.A N LEU 463.A O no hydrogen 2.964 N/A GLY 467.A N TRP 462.A O no hydrogen 2.930 N/A VAL 468.A N PRO 438.A O no hydrogen 2.825 N/A TYR 469.A N SER 426.A O no hydrogen 2.885 N/A ALA 470.A N ILE 440.A O no hydrogen 2.934 N/A VAL 471.A N ILE 424.A O no hydrogen 2.869 N/A ALA 472.A N TYR 442.A O no hydrogen 3.041 N/A ASN 473.A N PRO 422.A O no hydrogen 3.005 N/A ARG 475.A N ASP 499.A OD2 no hydrogen 3.129 N/A ARG 475.A NE ASP 499.A OD1 no hydrogen 3.354 N/A ARG 475.A NE ASP 499.A OD2 no hydrogen 2.895 N/A ARG 475.A NH1 ASP 417.A OD2 no hydrogen 2.797 N/A ARG 475.A NH2 ASP 417.A OD1 no hydrogen 3.443 N/A ARG 475.A NH2 ASP 417.A OD2 no hydrogen 3.182 N/A ARG 475.A NH2 ASP 499.A OD1 no hydrogen 2.786 N/A GLY 476.A N TRP 484.A O no hydrogen 2.846 N/A GLY 477.A N LEU 474.A O no hydrogen 3.362 N/A GLY 478.A N VAL 449.A O no hydrogen 3.123 N/A GLU 479.A N GLU 479.A OE1 no hydrogen 2.799 N/A TYR 480.A OH ASP 330.A OD1 no hydrogen 2.733 N/A HIS 485.A N GLY 481.A O no hydrogen 3.383 N/A HIS 485.A NE2 ASP 568.A OD2 no hydrogen 2.901 N/A LEU 486.A N GLN 482.A O no hydrogen 2.837 N/A ALA 487.A N ALA 483.A O no hydrogen 2.887 N/A GLY 488.A N HIS 485.A O no hydrogen 2.904 N/A THR 489.A N LEU 486.A O no hydrogen 3.094 N/A THR 489.A OG1 LEU 486.A O no hydrogen 2.877 N/A GLN 490.A N ASP 568.A O no hydrogen 2.647 N/A GLN 490.A NE2 ALA 566.A O no hydrogen 3.282 N/A GLN 490.A NE2 TYR 567.A O no hydrogen 3.206 N/A ASN 492.A N THR 489.A O no hydrogen 2.776 N/A LYS 493.A N GLN 490.A O no hydrogen 3.282 N/A LYS 493.A NZ GLY 445.A O no hydrogen 2.924 N/A GLN 494.A N TYR 581.A OH no hydrogen 2.893 N/A GLN 494.A NE2 ASP 498.A OD1 no hydrogen 2.857 N/A ASN 495.A N ASN 492.A O no hydrogen 2.950 N/A ASN 495.A ND2 ALA 487.A O no hydrogen 2.879 N/A VAL 496.A N LYS 493.A O no hydrogen 2.912 N/A ASP 498.A N GLN 494.A O no hydrogen 2.887 N/A ASP 499.A N ASN 495.A O no hydrogen 2.837 N/A PHE 500.A N VAL 496.A O no hydrogen 3.068 N/A ILE 501.A N PHE 497.A O no hydrogen 2.947 N/A ALA 502.A N ASP 498.A O no hydrogen 2.968 N/A ALA 503.A N ASP 499.A O no hydrogen 3.118 N/A ALA 504.A N PHE 500.A O no hydrogen 3.091 N/A GLU 505.A N ILE 501.A O no hydrogen 2.979 N/A TYR 506.A N ALA 502.A O no hydrogen 2.963 N/A LEU 507.A N ALA 503.A O no hydrogen 3.017 N/A LYS 508.A N ALA 504.A O no hydrogen 3.265 N/A LYS 508.A NZ THR 515.A OG1 no hydrogen 2.854 N/A LYS 508.A NZ LEU 540.A O no hydrogen 2.847 N/A ALA 509.A N GLU 505.A O no hydrogen 2.808 N/A GLU 510.A N TYR 506.A O no hydrogen 2.843 N/A GLY 511.A N LYS 508.A O no hydrogen 2.928 N/A TYR 512.A N LEU 507.A O no hydrogen 3.016 N/A TYR 512.A OH GLU 409.A OE2 no hydrogen 2.758 N/A THR 513.A N LEU 507.A O no hydrogen 3.367 N/A THR 513.A OG1 ASN 437.A O no hydrogen 2.824 N/A THR 513.A OG1 ARG 514.A O no hydrogen 3.356 N/A ARG 514.A N THR 513.A OG1 no hydrogen 2.751 N/A ARG 514.A NE ASP 516.A OD1 no hydrogen 2.861 N/A ARG 517.A N ARG 514.A O no hydrogen 2.875 N/A ARG 517.A NH1 SER 436.A O no hydrogen 2.759 N/A LEU 518.A N THR 515.A O no hydrogen 3.290 N/A ALA 519.A N THR 439.A O no hydrogen 2.849 N/A ILE 520.A N VAL 543.A O no hydrogen 2.954 N/A ARG 521.A N LEU 441.A O no hydrogen 2.834 N/A GLY 522.A N LEU 545.A O no hydrogen 3.469 N/A SER 524.A N ALA 547.A O no hydrogen 2.867 N/A ASN 525.A ND2 TYR 569.A OH no hydrogen 2.640 N/A GLY 526.A N GLY 523.A O no hydrogen 2.760 N/A GLY 527.A N SER 524.A O no hydrogen 2.972 N/A LEU 528.A N SER 524.A O no hydrogen 3.022 N/A LEU 529.A N ASN 525.A O no hydrogen 2.984 N/A VAL 530.A N GLY 526.A O no hydrogen 3.104 N/A GLY 531.A N GLY 527.A O no hydrogen 2.859 N/A ALA 532.A N LEU 528.A O no hydrogen 2.772 N/A VAL 533.A N LEU 529.A O no hydrogen 2.937 N/A MET 534.A N VAL 530.A O no hydrogen 2.833 N/A THR 535.A N GLY 531.A O no hydrogen 3.251 N/A THR 535.A N ALA 532.A O no hydrogen 3.310 N/A THR 535.A OG1 GLY 531.A O no hydrogen 2.824 N/A THR 535.A OG1 ALA 532.A O no hydrogen 3.065 N/A GLN 536.A N ALA 532.A O no hydrogen 3.022 N/A ARG 537.A N VAL 533.A O no hydrogen 2.714 N/A ARG 537.A NE ASP 539.A OD1 no hydrogen 3.098 N/A ARG 537.A NH1 GLU 505.A OE2 no hydrogen 3.290 N/A ARG 537.A NH2 ASP 539.A OD2 no hydrogen 3.132 N/A LEU 540.A N ARG 537.A O no hydrogen 3.069 N/A ARG 542.A N LEU 518.A O no hydrogen 2.830 N/A ARG 542.A NH1 ARG 542.A O no hydrogen 2.993 N/A ARG 542.A NH1 SER 599.A OG no hydrogen 2.835 N/A VAL 543.A N LEU 518.A O no hydrogen 3.248 N/A ALA 544.A N SER 599.A O no hydrogen 2.859 N/A LEU 545.A N ILE 520.A O no hydrogen 2.846 N/A ALA 547.A N GLY 522.A O no hydrogen 2.914 N/A VAL 548.A N THR 603.A O no hydrogen 2.798 N/A VAL 550.A N SER 524.A O no hydrogen 3.401 N/A LEU 551.A N HIS 615.A ND1 no hydrogen 3.188 N/A ASP 552.A N HIS 615.A ND1 no hydrogen 3.074 N/A MET 553.A N SER 586.A OG no hydrogen 2.994 N/A LEU 554.A N ASP 552.A OD1 no hydrogen 2.973 N/A ARG 555.A N ASP 552.A OD1 no hydrogen 2.988 N/A ARG 555.A NE GLU 28.A OE2 no hydrogen 2.933 N/A ARG 555.A NH2 GLU 28.A OE1 no hydrogen 2.817 N/A ARG 555.A NH2 GLU 28.A OE2 no hydrogen 3.562 N/A TYR 556.A OH GLY 570.A O no hydrogen 2.648 N/A THR 558.A N ARG 555.A O no hydrogen 3.088 N/A THR 558.A OG1 ARG 555.A O no hydrogen 2.784 N/A PHE 559.A N TYR 556.A O no hydrogen 3.164 N/A GLY 562.A N PHE 559.A O no hydrogen 3.253 N/A GLY 564.A N ALA 561.A O no hydrogen 3.319 N/A TRP 565.A N GLY 562.A O no hydrogen 2.957 N/A ALA 566.A N THR 563.A O no hydrogen 3.438 N/A ASP 568.A N TRP 565.A O no hydrogen 3.113 N/A TYR 569.A N TRP 565.A O no hydrogen 3.070 N/A GLY 570.A N ALA 566.A O no hydrogen 2.807 N/A THR 571.A N ASP 574.A OD2 no hydrogen 2.922 N/A THR 571.A OG1 ASP 574.A OD1 no hydrogen 2.717 N/A SER 572.A OG LEU 554.A O no hydrogen 2.708 N/A ALA 573.A N THR 571.A OG1 no hydrogen 3.119 N/A ASP 574.A N THR 571.A O no hydrogen 3.024 N/A MET 578.A N SER 575.A OG no hydrogen 3.099 N/A PHE 579.A N SER 575.A O no hydrogen 2.881 N/A ASP 580.A N GLU 576.A O no hydrogen 2.810 N/A TYR 581.A N ALA 577.A O no hydrogen 2.986 N/A LEU 582.A N MET 578.A O no hydrogen 2.905 N/A LYS 583.A N PHE 579.A O no hydrogen 2.933 N/A GLY 584.A N ASP 580.A O no hydrogen 3.069 N/A TYR 585.A N LEU 582.A O no hydrogen 3.292 N/A SER 586.A N LEU 582.A O no hydrogen 2.800 N/A SER 586.A OG LEU 551.A O no hydrogen 3.416 N/A LEU 588.A N LEU 551.A O no hydrogen 3.029 N/A HIS 589.A NE2 ASP 552.A OD1 no hydrogen 3.299 N/A ASN 590.A N PRO 587.A O no hydrogen 3.012 N/A ASN 590.A ND2 LYS 583.A O no hydrogen 3.017 N/A ASN 590.A ND2 GLY 584.A O no hydrogen 3.253 N/A ASN 590.A ND2 SER 586.A O no hydrogen 2.779 N/A ARG 592.A N TYR 597.A OH no hydrogen 2.725 N/A ARG 592.A NH1 ASN 590.A OD1 no hydrogen 3.231 N/A GLY 594.A N ASP 626.A O no hydrogen 3.223 N/A VAL 595.A N ARG 592.A O no hydrogen 3.415 N/A TYR 597.A N ASN 627.A OD1 no hydrogen 2.906 N/A SER 599.A N ARG 542.A O no hydrogen 3.015 N/A SER 599.A OG GLU 658.A OE1 no hydrogen 2.653 N/A THR 600.A N PRO 632.A O no hydrogen 2.897 N/A THR 600.A OG1 PRO 598.A O no hydrogen 3.055 N/A THR 600.A OG1 GLN 633.A OE1 no hydrogen 3.106 N/A MET 601.A N ALA 544.A O no hydrogen 3.227 N/A VAL 602.A N LEU 634.A O no hydrogen 2.787 N/A THR 603.A N PRO 546.A O no hydrogen 3.154 N/A THR 604.A N ARG 636.A O no hydrogen 3.236 N/A THR 604.A OG1 ALA 605.A O no hydrogen 2.972 N/A ASP 606.A N GLU 638.A O no hydrogen 2.835 N/A HIS 607.A ND1 ASP 30.A OD2 no hydrogen 2.677 N/A ARG 610.A N ASN 608.A OD1 no hydrogen 2.797 N/A VAL 611.A N ASN 608.A OD1 no hydrogen 3.150 N/A HIS 615.A N VAL 612.A O no hydrogen 3.295 N/A PHE 617.A N PRO 613.A O no hydrogen 2.819 N/A LYS 618.A N ALA 614.A O no hydrogen 2.980 N/A LYS 618.A NZ ASP 22.A OD1 no hydrogen 3.100 N/A LYS 618.A NZ ASP 22.A OD2 no hydrogen 3.009 N/A LYS 618.A NZ GLU 28.A OE2 no hydrogen 2.721 N/A LYS 618.A NZ ASP 552.A OD2 no hydrogen 2.750 N/A PHE 619.A N HIS 615.A O no hydrogen 3.027 N/A ALA 620.A N SER 616.A O no hydrogen 2.848 N/A ALA 621.A N PHE 617.A O no hydrogen 2.990 N/A THR 622.A N LYS 618.A O no hydrogen 3.016 N/A THR 622.A OG1 LYS 618.A O no hydrogen 2.581 N/A LEU 623.A N PHE 619.A O no hydrogen 2.950 N/A GLN 624.A N ALA 620.A O no hydrogen 2.953 N/A GLN 624.A NE2 GLN 42.A OE1 no hydrogen 2.982 N/A GLN 624.A NE2 GLN 633.A O no hydrogen 2.934 N/A ALA 625.A N ALA 621.A O no hydrogen 3.032 N/A ASP 626.A N THR 622.A O no hydrogen 2.881 N/A ASN 627.A N LEU 623.A O no hydrogen 2.793 N/A ASN 627.A ND2 GLY 629.A O no hydrogen 3.135 N/A ALA 628.A N VAL 595.A O no hydrogen 2.977 N/A GLY 629.A N ASN 627.A OD1 no hydrogen 3.207 N/A GLN 633.A N TYR 3.A OH no hydrogen 2.848 N/A GLN 633.A NE2 PRO 598.A O no hydrogen 2.829 N/A GLN 633.A NE2 HIS 631.A O no hydrogen 3.067 N/A LEU 634.A N THR 600.A O no hydrogen 2.813 N/A ARG 636.A N VAL 602.A O no hydrogen 2.726 N/A ARG 636.A NE ASP 650.A OD2 no hydrogen 2.790 N/A ARG 636.A NH1 GLU 638.A OE2 no hydrogen 2.651 N/A ARG 636.A NH2 GLU 638.A OE2 no hydrogen 3.246 N/A ARG 636.A NH2 ASP 650.A OD2 no hydrogen 3.135 N/A GLU 638.A N THR 604.A O no hydrogen 2.737 N/A LYS 643.A N PRO 640.A O no hydrogen 3.116 N/A LEU 644.A N PRO 640.A O no hydrogen 3.342 N/A ILE 645.A N VAL 641.A O no hydrogen 2.787 N/A GLU 646.A N ALA 642.A O no hydrogen 3.111 N/A GLN 647.A N LYS 643.A O no hydrogen 2.872 N/A SER 648.A N LEU 644.A O no hydrogen 3.005 N/A SER 648.A OG SER 458.A OG no hydrogen 3.328 N/A SER 648.A OG LEU 644.A O no hydrogen 3.387 N/A ALA 649.A N ILE 645.A O no hydrogen 2.948 N/A ASP 650.A N GLU 646.A O no hydrogen 3.001 N/A ILE 651.A N GLN 647.A O no hydrogen 3.129 N/A TYR 652.A N SER 648.A O no hydrogen 3.063 N/A TYR 652.A OH SER 458.A OG no hydrogen 2.623 N/A ALA 653.A N ALA 649.A O no hydrogen 2.937 N/A PHE 654.A N ASP 650.A O no hydrogen 2.864 N/A THR 655.A N ILE 651.A O no hydrogen 2.898 N/A THR 655.A OG1 ILE 651.A O no hydrogen 2.748 N/A LEU 656.A N TYR 652.A O no hydrogen 3.002 N/A TYR 657.A N ALA 653.A O no hydrogen 2.910 N/A GLU 658.A N PHE 654.A O no hydrogen 2.920 N/A MET 659.A N THR 655.A O no hydrogen 3.180 N/A MET 659.A N LEU 656.A O no hydrogen 3.090 N/A GLY 660.A N TYR 657.A O no hydrogen 2.868 N/A TYR 661.A N LEU 656.A O no hydrogen 3.164 N/A ARG 666.A NH1 ASP 464.A O no hydrogen 2.840 N/A