Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qrb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N TYR 1.A O no hydrogen 2.691 N/A ASP 6.A N SER 2.A O no hydrogen 2.803 N/A LYS 7.A N GLU 4.A O no hydrogen 3.019 N/A LYS 8.A N GLU 4.A O no hydrogen 3.004 N/A LYS 8.A N ALA 5.A O no hydrogen 3.162 N/A LYS 8.A NZ GLU 4.A OE1 no hydrogen 2.843 N/A PHE 9.A N ALA 5.A O no hydrogen 3.207 N/A LYS 10.A NZ ASP 30.A OD1 no hydrogen 2.720 N/A TYR 11.A OH ASP 6.A O no hydrogen 2.825 N/A SER 12.A OG VAL 13.A O no hydrogen 3.515 N/A VAL 13.A N GLY 31.A O no hydrogen 3.160 N/A LYS 14.A NZ ASP 17.A OD2 no hydrogen 2.971 N/A LEU 15.A N LEU 33.A O no hydrogen 2.943 N/A SER 16.A N ASP 35.A OD1 no hydrogen 2.860 N/A SER 16.A OG ASP 35.A OD1 no hydrogen 3.252 N/A SER 16.A OG ASP 35.A OD2 no hydrogen 2.583 N/A ASP 17.A N LYS 14.A O no hydrogen 3.032 N/A TYR 18.A N LEU 15.A O no hydrogen 2.929 N/A THR 20.A OG1 ASP 23.A OD1 no hydrogen 2.736 N/A LEU 21.A N TYR 38.A OH no hydrogen 3.176 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 2.875 N/A GLN 22.A NE2 SER 26.A OG no hydrogen 3.123 N/A GLN 22.A NE2 ASP 47.A O no hydrogen 3.098 N/A ASP 23.A N THR 20.A OG1 no hydrogen 3.209 N/A ALA 24.A N THR 20.A O no hydrogen 3.353 N/A ALA 25.A N LEU 21.A O no hydrogen 2.836 N/A SER 26.A N GLN 22.A O no hydrogen 2.859 N/A SER 26.A OG GLN 22.A O no hydrogen 3.032 N/A ALA 27.A N ASP 23.A O no hydrogen 3.182 N/A ALA 27.A N ALA 24.A O no hydrogen 3.202 N/A ALA 28.A N ALA 24.A O no hydrogen 3.029 N/A GLY 31.A N TYR 11.A O no hydrogen 3.018 N/A LEU 32.A N THR 54.A O no hydrogen 3.008 N/A LEU 33.A N VAL 13.A O no hydrogen 2.815 N/A ILE 34.A N GLU 56.A O no hydrogen 2.845 N/A ARG 36.A NE LEU 15.A O no hydrogen 3.358 N/A ARG 36.A NH1 ASP 37.A O no hydrogen 3.253 N/A ARG 36.A NH2 TYR 18.A O no hydrogen 2.892 N/A ARG 36.A NH2 PRO 19.A O no hydrogen 3.332 N/A TYR 38.A N LYS 60.A O no hydrogen 2.838 N/A TYR 38.A OH GLU 44.A OE1 no hydrogen 2.538 N/A PHE 40.A N ILE 62.A O no hydrogen 2.907 N/A TYR 41.A N GLU 44.A OE2 no hydrogen 3.207 N/A GLY 43.A N ASN 66.A O no hydrogen 2.769 N/A GLU 44.A N TYR 41.A O no hydrogen 2.934 N/A THR 45.A OG1 GLY 43.A O no hydrogen 3.025 N/A VAL 46.A N ILE 68.A O no hydrogen 2.748 N/A ASP 47.A N GLN 22.A OE1 no hydrogen 2.810 N/A PHE 48.A N THR 70.A O no hydrogen 2.982 N/A GLY 49.A N ASP 47.A OD2 no hydrogen 2.829 N/A GLY 50.A N LYS 71.A O no hydrogen 2.716 N/A LYS 51.A N PHE 48.A O no hydrogen 3.079 N/A LYS 51.A NZ ALA 25.A O no hydrogen 2.873 N/A LYS 51.A NZ ALA 28.A O no hydrogen 2.765 N/A LEU 53.A N SER 76.A OG no hydrogen 3.081 N/A THR 54.A N ASP 30.A O no hydrogen 2.985 N/A ILE 55.A N ARG 77.A O no hydrogen 2.793 N/A GLU 56.A N LEU 32.A O no hydrogen 2.895 N/A CYS 57.A N ALA 79.A O no hydrogen 2.864 N/A LYS 58.A N ILE 34.A O no hydrogen 2.770 N/A LYS 60.A N ASP 37.A OD2 no hydrogen 2.875 N/A LYS 60.A NZ GLU 84.A OE2 no hydrogen 2.821 N/A PHE 61.A N PHE 82.A O no hydrogen 2.968 N/A ILE 62.A N TYR 38.A O no hydrogen 2.753 N/A GLY 63.A N GLU 84.A O no hydrogen 2.916 N/A GLY 65.A N THR 147.A O no hydrogen 2.817 N/A ASN 66.A ND2 GLU 151.A OE2 no hydrogen 2.849 N/A LEU 67.A N THR 149.A O no hydrogen 2.877 N/A ILE 68.A N GLU 44.A O no hydrogen 2.816 N/A PHE 69.A N GLU 151.A O no hydrogen 2.813 N/A THR 70.A N VAL 46.A O no hydrogen 2.831 N/A THR 70.A OG1 VAL 46.A O no hydrogen 2.903 N/A LYS 71.A NZ ASP 47.A OD1 no hydrogen 3.160 N/A GLY 73.A N LYS 51.A O no hydrogen 2.794 N/A GLY 75.A N GLY 157.A O no hydrogen 2.763 N/A SER 76.A N GLY 73.A O no hydrogen 3.056 N/A SER 76.A OG GLY 73.A O no hydrogen 2.773 N/A ARG 77.A N LEU 53.A O no hydrogen 3.032 N/A ILE 78.A N GLU 159.A O no hydrogen 2.877 N/A ALA 79.A N ILE 55.A O no hydrogen 2.877 N/A GLY 80.A N HIS 161.A O no hydrogen 2.891 N/A MET 83.A N SER 164.A O no hydrogen 3.145 N/A GLU 84.A N PHE 61.A O no hydrogen 3.093 N/A SER 85.A OG THR 87.A O no hydrogen 2.746 N/A THR 86.A N ASP 64.A OD2 no hydrogen 2.759 N/A THR 87.A N ASP 64.A OD2 no hydrogen 3.066 N/A THR 87.A OG1 ASP 64.A OD1 no hydrogen 2.551 N/A TRP 90.A N GLN 144.A OE1 no hydrogen 2.948 N/A VAL 91.A N LYS 113.A O no hydrogen 2.744 N/A ILE 92.A N TYR 120.A O no hydrogen 2.905 N/A LYS 93.A N THR 111.A OG1 no hydrogen 2.888 N/A LYS 93.A NZ ASP 118.A OD1 no hydrogen 3.483 N/A LYS 93.A NZ ASP 118.A OD2 no hydrogen 2.963 N/A TRP 95.A N LYS 93.A O no hydrogen 2.836 N/A THR 96.A N GLN 100.A O no hydrogen 2.730 N/A THR 96.A OG1 GLN 100.A O no hydrogen 3.559 N/A ASP 98.A N THR 96.A OG1 no hydrogen 3.150 N/A ASN 99.A N THR 96.A O no hydrogen 2.790 N/A GLN 100.A N THR 96.A OG1 no hydrogen 3.017 N/A GLN 100.A NE2 THR 96.A OG1 no hydrogen 3.305 N/A TRP 101.A NE1 GLY 317.A O no hydrogen 2.947 N/A LEU 102.A N PRO 94.A O no hydrogen 2.856 N/A ALA 107.A N ASP 104.A OD2 no hydrogen 3.275 N/A VAL 108.A N ASP 104.A O no hydrogen 2.963 N/A VAL 109.A N ALA 105.A O no hydrogen 2.886 N/A ALA 110.A N ALA 106.A O no hydrogen 3.171 N/A THR 111.A N VAL 108.A O no hydrogen 2.949 N/A THR 111.A OG1 VAL 108.A O no hydrogen 2.725 N/A LEU 112.A N VAL 109.A O no hydrogen 3.196 N/A LYS 113.A N VAL 91.A O no hydrogen 3.176 N/A LYS 113.A NZ ASP 118.A O no hydrogen 2.758 N/A LYS 113.A NZ ASP 118.A OD2 no hydrogen 3.550 N/A SER 115.A N PRO 89.A O no hydrogen 3.000 N/A SER 115.A OG THR 117.A O no hydrogen 3.070 N/A LYS 116.A NZ GLU 84.A OE1 no hydrogen 2.750 N/A LYS 116.A NZ SER 85.A O no hydrogen 2.798 N/A THR 117.A N SER 115.A OG no hydrogen 3.366 N/A THR 117.A OG1 SER 187.A OG no hydrogen 2.615 N/A ASP 118.A N THR 117.A OG1 no hydrogen 2.745 N/A TYR 120.A N ILE 92.A O no hydrogen 3.057 N/A TYR 120.A OH ASP 126.A OD1 no hydrogen 2.753 N/A GLN 121.A NE2 ILE 146.A O no hydrogen 2.953 N/A THR 123.A N ASP 126.A OD2 no hydrogen 2.888 N/A SER 125.A N THR 123.A OG1 no hydrogen 3.352 N/A SER 125.A OG THR 123.A OG1 no hydrogen 2.839 N/A ASP 126.A N THR 123.A O no hydrogen 2.960 N/A TYR 127.A N VAL 124.A O no hydrogen 2.973 N/A VAL 128.A N SER 125.A O no hydrogen 3.186 N/A LYS 129.A N SER 125.A O no hydrogen 3.009 N/A LYS 129.A NZ VAL 278.A O no hydrogen 2.925 N/A PHE 130.A N ASP 126.A O no hydrogen 2.871 N/A ILE 133.A N PHE 130.A O no hydrogen 2.986 N/A THR 135.A N GLY 132.A O no hydrogen 3.308 N/A THR 135.A OG1 GLY 132.A O no hydrogen 3.304 N/A LEU 136.A N ILE 133.A O no hydrogen 2.984 N/A LEU 137.A N ILE 133.A O no hydrogen 2.900 N/A ALA 141.A N PRO 138.A O no hydrogen 2.958 N/A LYS 142.A N PRO 139.A O no hydrogen 3.245 N/A LYS 142.A NZ GLU 134.A O no hydrogen 2.924 N/A GLN 144.A NE2 TRP 90.A O no hydrogen 2.835 N/A GLN 144.A NE2 ALA 141.A O no hydrogen 3.320 N/A ILE 146.A N GLN 121.A OE1 no hydrogen 2.936 N/A THR 147.A OG1 ILE 146.A O no hydrogen 2.852 N/A SER 148.A N MET 167.A O no hydrogen 2.828 N/A SER 148.A OG GLY 63.A O no hydrogen 2.820 N/A THR 149.A N GLY 65.A O no hydrogen 2.864 N/A LEU 150.A N GLY 169.A O no hydrogen 2.926 N/A GLU 151.A N LEU 67.A O no hydrogen 2.834 N/A ILE 152.A N LEU 171.A O no hydrogen 2.792 N/A ARG 153.A N PHE 69.A O no hydrogen 3.056 N/A ARG 153.A NE GLU 151.A OE1 no hydrogen 2.752 N/A ARG 153.A NH2 GLU 151.A OE1 no hydrogen 2.669 N/A GLU 154.A N ARG 173.A O no hydrogen 2.752 N/A CYS 155.A SG ARG 153.A O no hydrogen 3.481 N/A GLY 157.A N HIS 176.A O no hydrogen 3.104 N/A GLU 159.A N SER 76.A O no hydrogen 3.069 N/A VAL 160.A N LYS 179.A O no hydrogen 2.925 N/A HIS 161.A N ILE 78.A O no hydrogen 2.710 N/A HIS 161.A NE2 GLU 159.A OE2 no hydrogen 2.786 N/A ARG 162.A N VAL 181.A O no hydrogen 2.931 N/A SER 164.A N VAL 81.A O no hydrogen 2.834 N/A SER 164.A OG ASN 184.A O no hydrogen 2.817 N/A LEU 166.A N MET 83.A O no hydrogen 2.821 N/A ALA 168.A N SER 187.A O no hydrogen 2.932 N/A GLY 169.A N SER 148.A O no hydrogen 2.980 N/A PHE 170.A N ILE 193.A O no hydrogen 2.745 N/A LEU 171.A N LEU 150.A O no hydrogen 2.905 N/A PHE 172.A N THR 195.A O no hydrogen 2.880 N/A ARG 173.A N ILE 152.A O no hydrogen 2.913 N/A ARG 173.A NE GLU 197.A OE2 no hydrogen 2.928 N/A ARG 173.A NH1 GLU 151.A OE1 no hydrogen 3.027 N/A ARG 173.A NH2 GLU 197.A OE1 no hydrogen 3.264 N/A ARG 173.A NH2 GLU 197.A OE2 no hydrogen 3.556 N/A GLY 174.A N GLU 197.A O no hydrogen 2.839 N/A CYS 175.A SG ILE 152.A O no hydrogen 3.376 N/A CYS 175.A SG ARG 173.A O no hydrogen 3.666 N/A HIS 176.A N CYS 155.A O no hydrogen 3.220 N/A HIS 176.A NE2 TRP 203.A O no hydrogen 3.117 N/A PHE 177.A N LYS 205.A O no hydrogen 2.782 N/A CYS 178.A SG CYS 155.A O no hydrogen 3.819 N/A CYS 178.A SG HIS 176.A O no hydrogen 3.508 N/A LYS 179.A N VAL 158.A O no hydrogen 3.230 N/A LYS 179.A NZ GLU 159.A OE1 no hydrogen 3.057 N/A MET 180.A N TYR 208.A O no hydrogen 2.840 N/A VAL 181.A N VAL 160.A O no hydrogen 2.758 N/A ASP 182.A N ILE 210.A O no hydrogen 2.904 N/A ASN 184.A N ALA 163.A O no hydrogen 2.728 N/A ASN 185.A ND2 SER 215.A OG no hydrogen 2.688 N/A SER 187.A N GLY 165.A O no hydrogen 2.917 N/A SER 187.A OG THR 117.A OG1 no hydrogen 2.615 N/A GLY 188.A N SER 215.A O no hydrogen 2.946 N/A LYS 190.A N ILE 146.A O no hydrogen 2.937 N/A ASP 191.A N THR 147.A OG1 no hydrogen 3.106 N/A ILE 194.A N SER 221.A O no hydrogen 2.844 N/A THR 195.A N PHE 170.A O no hydrogen 2.943 N/A PHE 196.A N GLN 223.A O no hydrogen 2.934 N/A GLU 197.A N PHE 172.A O no hydrogen 2.926 N/A ASN 198.A N LEU 225.A O no hydrogen 3.076 N/A ASN 198.A ND2 CYS 175.A O no hydrogen 2.875 N/A GLY 204.A N ARG 226.A O no hydrogen 2.960 N/A LYS 205.A NZ GLU 232.A OE1 no hydrogen 2.824 N/A GLY 206.A N ASP 234.A O no hydrogen 2.797 N/A ASN 207.A ND2 CYS 178.A O no hydrogen 3.547 N/A TYR 208.A N CYS 178.A O no hydrogen 3.014 N/A TYR 208.A OH ASP 234.A OD1 no hydrogen 2.626 N/A VAL 209.A N GLY 236.A O no hydrogen 2.918 N/A ILE 210.A N MET 180.A O no hydrogen 2.908 N/A GLY 211.A N ILE 238.A O no hydrogen 2.885 N/A ARG 213.A N ALA 183.A O no hydrogen 3.026 N/A PHE 214.A N THR 241.A O no hydrogen 2.989 N/A SER 215.A N PRO 186.A O no hydrogen 3.116 N/A TYR 216.A N TYR 243.A O no hydrogen 2.974 N/A SER 218.A N GLY 189.A O no hydrogen 2.845 N/A SER 218.A OG GLN 121.A O no hydrogen 2.693 N/A SER 221.A N SER 248.A O no hydrogen 2.988 N/A SER 221.A OG SER 242.A OG no hydrogen 2.705 N/A ALA 222.A N GLY 249.A O no hydrogen 3.175 N/A GLN 223.A N ILE 194.A O no hydrogen 2.921 N/A GLN 223.A NE2 THR 195.A OG1 no hydrogen 3.002 N/A PHE 224.A N LYS 251.A O no hydrogen 3.126 N/A LEU 225.A N PHE 196.A O no hydrogen 2.879 N/A ARG 226.A N SER 262.A O no hydrogen 2.928 N/A ARG 226.A NH1 ASN 198.A O no hydrogen 2.724 N/A ARG 226.A NH1 GLY 201.A O no hydrogen 2.826 N/A ARG 226.A NH2 GLY 201.A O no hydrogen 3.081 N/A ASN 227.A ND2 ASN 207.A OD1 no hydrogen 3.199 N/A ASN 228.A N GLY 204.A O no hydrogen 2.789 N/A GLY 229.A N TYR 265.A O no hydrogen 3.150 N/A GLY 230.A N ASN 228.A OD1 no hydrogen 2.760 N/A GLU 232.A N GLU 232.A OE2 no hydrogen 2.706 N/A ARG 233.A N GLY 230.A O no hydrogen 2.861 N/A ARG 233.A NE ASN 307.A O no hydrogen 2.791 N/A ARG 233.A NH1 ASN 307.A O no hydrogen 3.211 N/A ARG 233.A NH2 PHE 231.A O no hydrogen 2.886 N/A ASP 234.A N GLY 229.A O no hydrogen 2.891 N/A GLY 235.A N ARG 233.A O no hydrogen 3.164 N/A GLY 236.A N ASN 207.A O no hydrogen 2.978 N/A VAL 237.A N GLN 268.A O no hydrogen 2.862 N/A ILE 238.A N VAL 209.A O no hydrogen 3.007 N/A GLY 239.A N ARG 270.A O no hydrogen 3.147 N/A PHE 240.A N SER 272.A OG no hydrogen 3.238 N/A THR 241.A N GLY 212.A O no hydrogen 3.007 N/A SER 242.A N VAL 273.A O no hydrogen 2.988 N/A SER 242.A OG SER 221.A OG no hydrogen 2.705 N/A TYR 243.A N PHE 214.A O no hydrogen 2.814 N/A ARG 244.A N ILE 275.A O no hydrogen 2.976 N/A ARG 244.A NE TYR 243.A OH no hydrogen 3.135 N/A ARG 244.A NH2 ASN 99.A OD1 no hydrogen 2.686 N/A ARG 244.A NH2 TYR 243.A OH no hydrogen 3.055 N/A GLY 246.A N GLY 217.A O no hydrogen 2.875 N/A GLU 247.A N VAL 219.A O no hydrogen 3.174 N/A SER 248.A N SER 220.A OG no hydrogen 3.175 N/A GLY 249.A N ASP 280.A O no hydrogen 3.013 N/A VAL 250.A N GLY 281.A O no hydrogen 3.192 N/A LYS 251.A N ALA 222.A O no hydrogen 3.002 N/A LYS 251.A NZ GLU 247.A OE2 no hydrogen 3.170 N/A THR 252.A N ASP 283.A O no hydrogen 3.026 N/A THR 252.A OG1 ASP 283.A O no hydrogen 3.300 N/A THR 252.A OG1 GLY 285.A O no hydrogen 3.089 N/A TRP 253.A N PHE 224.A O no hydrogen 3.188 N/A GLN 254.A NE2 THR 252.A O no hydrogen 2.795 N/A GLN 254.A NE2 ASP 283.A OD2 no hydrogen 3.466 N/A GLN 254.A NE2 GLY 285.A O no hydrogen 3.168 N/A GLY 255.A N ALA 286.A O no hydrogen 3.203 N/A VAL 257.A N THR 260.A O no hydrogen 2.833 N/A THR 260.A N VAL 257.A O no hydrogen 3.327 N/A THR 261.A N THR 260.A OG1 no hydrogen 2.819 N/A THR 261.A OG1 ASP 293.A OD1 no hydrogen 2.571 N/A SER 262.A N GLY 255.A O no hydrogen 3.090 N/A SER 262.A OG GLY 255.A O no hydrogen 3.044 N/A ARG 263.A N THR 261.A OG1 no hydrogen 3.267 N/A ARG 263.A NE ASP 287.A OD2 no hydrogen 3.128 N/A ARG 263.A NH1 THR 261.A OG1 no hydrogen 3.022 N/A ARG 263.A NH2 ASP 287.A OD2 no hydrogen 3.432 N/A ASN 264.A ND2 ASN 227.A O no hydrogen 3.692 N/A TYR 265.A N ASN 227.A O no hydrogen 2.905 N/A TYR 265.A OH ASP 293.A OD2 no hydrogen 2.649 N/A ASN 266.A N LEU 306.A O no hydrogen 2.880 N/A ASN 266.A ND2 ASN 228.A OD1 no hydrogen 2.966 N/A LEU 267.A N HIS 308.A ND1 no hydrogen 3.188 N/A GLN 268.A N GLY 235.A O no hydrogen 2.879 N/A GLN 268.A NE2 ARG 233.A O no hydrogen 2.916 N/A PHE 269.A N LEU 309.A O no hydrogen 2.858 N/A ARG 270.A N VAL 237.A O no hydrogen 2.980 N/A ARG 270.A NE GLN 268.A OE1 no hydrogen 2.780 N/A ARG 270.A NH2 GLN 268.A OE1 no hydrogen 2.984 N/A ASP 271.A N ASP 311.A O no hydrogen 3.159 N/A SER 272.A OG ARG 270.A O no hydrogen 2.908 N/A VAL 273.A N PHE 240.A O no hydrogen 2.933 N/A VAL 274.A N LEU 314.A O no hydrogen 2.994 N/A ILE 275.A N SER 242.A O no hydrogen 2.919 N/A TYR 276.A N ARG 316.A O no hydrogen 2.816 N/A VAL 278.A N ALA 245.A O no hydrogen 2.849 N/A TRP 279.A N GLU 247.A O no hydrogen 2.842 N/A ASP 280.A N SER 248.A OG no hydrogen 3.063 N/A GLY 281.A N VAL 321.A O no hydrogen 2.924 N/A PHE 282.A N GLY 322.A O no hydrogen 3.124 N/A ASP 283.A N VAL 250.A O no hydrogen 2.800 N/A LEU 284.A N GLY 324.A O no hydrogen 2.884 N/A ALA 286.A N ASP 326.A OD1 no hydrogen 2.800 N/A ALA 286.A N ASP 326.A OD2 no hydrogen 3.385 N/A ASP 287.A N ASP 326.A OD2 no hydrogen 2.952 N/A ARG 290.A NE ASP 287.A OD2 no hydrogen 3.043 N/A ARG 290.A NH1 TYR 294.A O no hydrogen 2.928 N/A ARG 290.A NH1 TYR 299.A O no hydrogen 2.750 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 2.953 N/A ARG 290.A NH2 TYR 299.A O no hydrogen 2.985 N/A ARG 290.A NH2 PRO 300.A O no hydrogen 2.949 N/A ASP 293.A N ARG 290.A O no hydrogen 2.965 N/A TYR 294.A N ASP 293.A OD2 no hydrogen 2.854 N/A GLN 298.A N PRO 295.A O no hydrogen 2.823 N/A TYR 299.A N PRO 295.A O no hydrogen 3.013 N/A HIS 302.A N ASP 287.A OD1 no hydrogen 2.741 N/A HIS 302.A ND1 ASP 326.A OD2 no hydrogen 2.903 N/A GLN 303.A N PRO 300.A O no hydrogen 2.981 N/A LEU 306.A N LEU 304.A O no hydrogen 2.913 N/A LEU 309.A N LEU 267.A O no hydrogen 2.834 N/A ASP 311.A N PHE 269.A O no hydrogen 3.183 N/A ASN 312.A N SER 333.A O no hydrogen 3.307 N/A ASN 312.A ND2 ASP 271.A OD2 no hydrogen 2.851 N/A LEU 313.A N ASN 334.A O no hydrogen 3.251 N/A LEU 314.A N SER 272.A O no hydrogen 3.024 N/A VAL 315.A N THR 336.A O no hydrogen 2.921 N/A ARG 316.A N VAL 274.A O no hydrogen 3.016 N/A GLY 317.A N GLU 338.A O no hydrogen 3.274 N/A LEU 319.A N PRO 277.A O no hydrogen 2.939 N/A VAL 321.A N ASP 280.A OD1 no hydrogen 2.969 N/A GLY 322.A N SER 343.A O no hydrogen 2.878 N/A PHE 323.A N GLY 344.A O no hydrogen 2.795 N/A GLY 324.A N PHE 282.A O no hydrogen 2.908 N/A MET 325.A N TYR 346.A O no hydrogen 3.260 N/A GLY 327.A N HIS 302.A O no hydrogen 2.797 N/A LYS 328.A N LEU 304.A O no hydrogen 2.970 N/A GLY 329.A N HIS 350.A O no hydrogen 3.150 N/A MET 330.A N SER 352.A OG no hydrogen 3.071 N/A VAL 332.A N VAL 353.A O no hydrogen 2.895 N/A SER 333.A N ILE 310.A O no hydrogen 3.195 N/A SER 333.A OG ASP 311.A OD1 no hydrogen 2.753 N/A ASN 334.A N THR 355.A O no hydrogen 2.986 N/A ASN 334.A ND2 ASP 311.A OD1 no hydrogen 2.871 N/A THR 336.A N LEU 313.A O no hydrogen 2.933 N/A VAL 337.A N ALA 358.A O no hydrogen 2.846 N/A GLU 338.A N VAL 315.A O no hydrogen 2.862 N/A ASP 339.A N ILE 360.A O no hydrogen 2.932 N/A CYS 340.A N ASP 361.A O no hydrogen 3.177 N/A CYS 340.A SG GLU 338.A O no hydrogen 3.716 N/A ALA 341.A N ALA 318.A O no hydrogen 2.877 N/A GLY 342.A N GLY 320.A O no hydrogen 2.930 N/A SER 343.A N GLN 368.A OE1 no hydrogen 2.782 N/A SER 343.A OG ASN 370.A O no hydrogen 2.894 N/A GLY 344.A N GLN 371.A O no hydrogen 2.747 N/A ALA 345.A N GLN 371.A O no hydrogen 3.232 N/A TYR 346.A N PHE 323.A O no hydrogen 2.916 N/A LEU 347.A N TYR 373.A O no hydrogen 2.713 N/A LEU 348.A N MET 325.A O no hydrogen 2.920 N/A HIS 350.A N GLY 327.A O no hydrogen 3.109 N/A GLU 351.A N ALA 377.A O no hydrogen 2.801 N/A SER 352.A OG HIS 350.A O no hydrogen 2.990 N/A VAL 353.A N MET 330.A O no hydrogen 2.872 N/A PHE 354.A N ARG 379.A O no hydrogen 2.835 N/A THR 355.A N VAL 332.A O no hydrogen 2.881 N/A ASN 356.A N ASN 381.A O no hydrogen 2.913 N/A ASN 356.A ND2 ASN 334.A OD1 no hydrogen 2.911 N/A ILE 357.A N GLY 382.A O no hydrogen 2.987 N/A ALA 358.A N ILE 335.A O no hydrogen 2.859 N/A ILE 359.A N ARG 384.A O no hydrogen 2.863 N/A ILE 360.A N VAL 337.A O no hydrogen 2.787 N/A ASN 363.A N GLY 342.A O no hydrogen 2.770 N/A ASN 363.A ND2 GLN 368.A O no hydrogen 3.010 N/A THR 364.A N CYS 340.A O no hydrogen 3.153 N/A THR 364.A OG1 CYS 340.A O no hydrogen 3.387 N/A LYS 365.A N ALA 341.A O no hydrogen 3.142 N/A ASP 366.A N ASN 363.A O no hydrogen 3.133 N/A GLN 368.A N ASN 363.A OD1 no hydrogen 2.933 N/A GLN 371.A N THR 392.A O no hydrogen 2.887 N/A GLN 371.A NE2 THR 362.A OG1 no hydrogen 2.863 N/A ILE 372.A N THR 392.A O no hydrogen 2.903 N/A TYR 373.A N ALA 345.A O no hydrogen 3.066 N/A ILE 374.A N ASP 394.A O no hydrogen 3.071 N/A SER 375.A N LEU 347.A O no hydrogen 2.984 N/A GLY 376.A N THR 349.A O no hydrogen 2.942 N/A ALA 377.A N HIS 350.A ND1 no hydrogen 3.072 N/A CYS 378.A N SER 398.A OG no hydrogen 3.210 N/A CYS 378.A SG THR 349.A O no hydrogen 3.287 N/A CYS 378.A SG THR 349.A OG1 no hydrogen 3.509 N/A ARG 379.A N SER 352.A O no hydrogen 2.949 N/A VAL 380.A N THR 399.A O no hydrogen 3.004 N/A ASN 381.A N PHE 354.A O no hydrogen 2.823 N/A GLY 382.A N SER 401.A O no hydrogen 2.877 N/A LEU 383.A N GLY 402.A O no hydrogen 3.091 N/A ARG 384.A N ILE 357.A O no hydrogen 2.877 N/A ARG 384.A NH1 THR 404.A OG1 no hydrogen 2.956 N/A LEU 385.A N THR 404.A O no hydrogen 2.979 N/A GLY 387.A N ASP 361.A OD2 no hydrogen 2.861 N/A ILE 388.A N ASP 361.A OD1 no hydrogen 2.908 N/A ARG 389.A N ASP 361.A OD2 no hydrogen 3.097 N/A SER 390.A OG ASP 366.A OD1 no hydrogen 3.494 N/A SER 390.A OG ALA 369.A O no hydrogen 3.304 N/A LEU 391.A N ALA 369.A O no hydrogen 3.116 N/A THR 392.A N ARG 411.A O no hydrogen 2.805 N/A ILE 393.A N ARG 411.A O no hydrogen 3.274 N/A ASP 394.A N ILE 372.A O no hydrogen 2.992 N/A ALA 395.A N ASN 413.A O no hydrogen 2.871 N/A ASN 397.A ND2 SER 375.A O no hydrogen 2.858 N/A SER 398.A N ALA 395.A O no hydrogen 2.989 N/A SER 398.A OG GLY 376.A O no hydrogen 3.211 N/A THR 399.A N CYS 378.A O no hydrogen 3.046 N/A VAL 400.A N ASN 416.A O no hydrogen 2.825 N/A SER 401.A N VAL 380.A O no hydrogen 3.103 N/A SER 401.A OG ALA 418.A O no hydrogen 2.790 N/A GLY 402.A N GLU 419.A OE2 no hydrogen 3.040 N/A THR 404.A N LEU 383.A O no hydrogen 3.008 N/A SER 410.A N ASP 408.A OD2 no hydrogen 3.046 N/A SER 410.A OG ASP 408.A OD2 no hydrogen 2.708 N/A ARG 411.A N ASP 408.A O no hydrogen 2.797 N/A ARG 411.A NH1 SER 390.A O no hydrogen 2.777 N/A ILE 412.A N PRO 409.A O no hydrogen 3.307 N/A ASN 413.A N ILE 393.A O no hydrogen 2.989 N/A ASN 413.A ND2 ASP 394.A OD1 no hydrogen 2.961 N/A ALA 415.A N SER 398.A O no hydrogen 2.823 N/A ASN 416.A N SER 398.A O no hydrogen 3.317 N/A ALA 418.A N VAL 400.A O no hydrogen 3.169 N/A SER 429.A OG SER 434.A O no hydrogen 2.607 N/A ALA 435.A N SER 455.A O no hydrogen 2.931 N/A ILE 437.A N LEU 453.A O no hydrogen 2.885 N/A LYS 438.A NZ TYR 454.A OH no hydrogen 3.356 N/A LEU 439.A N GLY 451.A O no hydrogen 2.966 N/A ARG 440.A NE ASP 449.A OD2 no hydrogen 2.797 N/A ARG 440.A NH1 LYS 446.A O no hydrogen 2.831 N/A ARG 440.A NH2 ASP 449.A OD1 no hydrogen 3.357 N/A ARG 440.A NH2 ASP 449.A OD2 no hydrogen 3.185 N/A HIS 442.A NE2 PRO 409.A O no hydrogen 3.066 N/A LEU 444.A N ILE 441.A O no hydrogen 2.944 N/A SER 445.A N ILE 441.A O no hydrogen 3.012 N/A LYS 446.A NZ ILE 412.A O no hydrogen 2.647 N/A THR 447.A N SER 445.A OG no hydrogen 3.137 N/A THR 447.A OG1 SER 445.A OG no hydrogen 3.310 N/A LEU 448.A N SER 445.A OG no hydrogen 2.902 N/A SER 450.A N LEU 439.A O no hydrogen 2.840 N/A SER 450.A OG LEU 439.A O no hydrogen 3.352 N/A ALA 452.A N THR 471.A O no hydrogen 3.421 N/A LEU 453.A N ILE 437.A O no hydrogen 2.908 N/A TYR 454.A N GLN 469.A O no hydrogen 2.900 N/A TYR 454.A OH ASP 479.A OD1 no hydrogen 2.734 N/A SER 455.A N ALA 435.A O no hydrogen 2.998 N/A HIS 456.A N TYR 467.A O no hydrogen 2.831 N/A ILE 457.A N ASP 433.A O no hydrogen 2.945 N/A ASN 458.A N SER 465.A O no hydrogen 3.024 N/A SER 463.A N GLY 460.A O no hydrogen 3.132 N/A SER 463.A OG ASN 458.A O no hydrogen 2.730 N/A SER 463.A OG GLY 460.A O no hydrogen 2.992 N/A SER 463.A OG SER 465.A O no hydrogen 3.249 N/A SER 465.A N SER 463.A OG no hydrogen 3.282 N/A SER 465.A OG ASN 458.A OD1 no hydrogen 3.007 N/A SER 465.A OG ASP 489.A OD2 no hydrogen 2.780 N/A TYR 467.A N HIS 456.A O no hydrogen 2.863 N/A THR 468.A N VAL 485.A O no hydrogen 2.960 N/A GLN 469.A N TYR 454.A O no hydrogen 2.998 N/A LEU 470.A N LEU 483.A O no hydrogen 2.970 N/A THR 471.A N ALA 452.A O no hydrogen 2.913 N/A THR 471.A OG1 ASP 479.A OD2 no hydrogen 2.633 N/A ALA 472.A N VAL 481.A O no hydrogen 2.885 N/A ILE 473.A N SER 450.A O no hydrogen 2.964 N/A SER 474.A N THR 477.A O no hydrogen 3.419 N/A THR 477.A N SER 474.A O no hydrogen 2.949 N/A THR 477.A OG1 GLY 475.A O no hydrogen 3.323 N/A ALA 480.A N THR 477.A O no hydrogen 3.209 N/A VAL 481.A N ALA 472.A O no hydrogen 3.180 N/A SER 482.A OG GLN 469.A OE1 no hydrogen 3.404 N/A LEU 483.A N LEU 470.A O no hydrogen 2.939 N/A LYS 484.A N GLU 494.A O no hydrogen 3.051 N/A LYS 484.A NZ SER 482.A O no hydrogen 2.973 N/A LYS 484.A NZ GLU 494.A OE1 no hydrogen 2.783 N/A VAL 485.A N THR 468.A O no hydrogen 2.823 N/A ASN 486.A N GLY 492.A O no hydrogen 3.034 N/A ASP 489.A N ASN 486.A O no hydrogen 2.977 N/A CYS 490.A N HIS 487.A O no hydrogen 3.107 N/A CYS 490.A SG HIS 487.A O no hydrogen 3.236 N/A CYS 490.A SG GLY 492.A O no hydrogen 3.835 N/A GLU 494.A N LYS 484.A O no hydrogen 2.851 N/A VAL 498.A N PRO 515.A O no hydrogen 3.089 N/A ILE 501.A N ASP 500.A OD2 no hydrogen 2.747 N/A SER 503.A OG ASP 505.A OD1 no hydrogen 2.696 N/A PHE 506.A N SER 503.A O no hydrogen 3.041 N/A SER 511.A N LYS 529.A O no hydrogen 2.661 N/A CYS 512.A N LYS 529.A O no hydrogen 3.402 N/A CYS 512.A SG SER 510.A O no hydrogen 3.732 N/A LEU 514.A N LEU 527.A O no hydrogen 2.805 N/A TYR 516.A N LYS 525.A O no hydrogen 2.980 N/A TRP 517.A N VAL 498.A O no hydrogen 2.863 N/A TRP 517.A NE1 ASN 519.A OD1 no hydrogen 3.007 N/A GLU 518.A N SER 523.A O no hydrogen 2.943 N/A SER 521.A N GLU 518.A O no hydrogen 3.418 N/A SER 521.A OG GLU 518.A OE2 no hydrogen 2.681 N/A SER 521.A OG SER 523.A OG no hydrogen 2.960 N/A THR 522.A N ASN 519.A O no hydrogen 3.193 N/A SER 523.A N GLU 518.A O no hydrogen 3.169 N/A SER 523.A OG SER 521.A O no hydrogen 3.183 N/A SER 523.A OG SER 521.A OG no hydrogen 2.960 N/A LEU 524.A N ALA 541.A O no hydrogen 2.919 N/A LYS 525.A N TYR 516.A O no hydrogen 2.806 N/A LYS 525.A NZ GLU 518.A OE1 no hydrogen 3.189 N/A ALA 526.A N LEU 538.A O no hydrogen 2.789 N/A LEU 527.A N LEU 514.A O no hydrogen 3.016 N/A VAL 528.A N VAL 536.A O no hydrogen 2.799 N/A LYS 529.A N CYS 512.A O no hydrogen 3.020 N/A LYS 529.A NZ LYS 508.A O no hydrogen 3.143 N/A LYS 530.A N GLU 534.A O no hydrogen 2.772 N/A LYS 530.A NZ GLU 534.A OE1 no hydrogen 3.175 N/A GLY 533.A N LYS 530.A O no hydrogen 2.795 N/A VAL 536.A N VAL 528.A O no hydrogen 2.945 N/A ARG 537.A NH1 ALA 502.A O no hydrogen 2.829 N/A ARG 537.A NH1 TYR 516.A OH no hydrogen 3.064 N/A ARG 537.A NH2 ALA 502.A O no hydrogen 2.760 N/A ARG 537.A NH2 ASP 504.A OD2 no hydrogen 2.817 N/A LEU 538.A N ALA 526.A O no hydrogen 2.850 N/A LEU 540.A N LEU 524.A O no hydrogen 2.889 N/A ALA 541.A N LEU 524.A O no hydrogen 3.074 N/A