Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xnf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N PRO 1.A O no hydrogen 3.246 N/A ARG 5.A N PRO 1.A O no hydrogen 3.306 N/A ARG 5.A NH1 GLU 9.A OE1 no hydrogen 3.301 N/A ALA 6.A N ASP 2.A O no hydrogen 3.107 N/A ILE 7.A N GLN 3.A O no hydrogen 2.920 N/A ILE 8.A N PHE 4.A O no hydrogen 2.893 N/A GLU 9.A N ARG 5.A O no hydrogen 3.154 N/A GLU 9.A N ALA 6.A O no hydrogen 3.297 N/A SER 10.A N ILE 7.A O no hydrogen 3.028 N/A SER 10.A OG ILE 7.A O no hydrogen 2.540 N/A GLU 12.A N SER 10.A OG no hydrogen 3.100 N/A GLY 13.A N SER 10.A O no hydrogen 3.084 N/A HIS 16.A N GLY 13.A O no hydrogen 2.881 N/A HIS 16.A ND1 GLU 12.A O no hydrogen 2.768 N/A VAL 17.A N ALA 14.A O no hydrogen 3.424 N/A TYR 19.A N ARG 30.A O no hydrogen 2.879 N/A GLN 20.A NE2 SER 27.A O no hydrogen 2.781 N/A ARG 23.A N GLN 20.A O no hydrogen 3.026 N/A ASN 24.A N TYR 21.A O no hydrogen 2.775 N/A ASN 24.A ND2 SER 27.A OG no hydrogen 2.824 N/A GLY 26.A N ASN 24.A OD1 no hydrogen 3.312 N/A SER 27.A N ASN 24.A O no hydrogen 2.988 N/A ARG 30.A N TYR 19.A O no hydrogen 2.881 N/A ARG 30.A NH1 GLU 38.A OE2 no hydrogen 2.817 N/A ARG 30.A NH2 GLU 38.A OE2 no hydrogen 2.812 N/A MET 31.A N ASP 34.A OD2 no hydrogen 2.973 N/A VAL 32.A N VAL 17.A O no hydrogen 2.942 N/A SER 33.A N ALA 14.A O no hydrogen 3.074 N/A ASP 34.A N MET 31.A O no hydrogen 2.900 N/A LEU 36.A N VAL 32.A O no hydrogen 3.062 N/A ASP 37.A N SER 33.A O no hydrogen 2.806 N/A GLU 38.A N VAL 35.A O no hydrogen 3.136 N/A ARG 39.A N LEU 36.A O no hydrogen 3.343 N/A ARG 39.A NE LEU 36.A O no hydrogen 2.678 N/A ARG 39.A NH1 ASP 44.A OD2 no hydrogen 2.797 N/A ARG 39.A NH2 LEU 36.A O no hydrogen 3.175 N/A ARG 39.A NH2 ASP 44.A OD2 no hydrogen 3.147 N/A SER 41.A N ASP 44.A OD2 no hydrogen 3.006 N/A LEU 42.A N THR 82.A O no hydrogen 3.012 N/A TRP 43.A N SER 41.A OG no hydrogen 3.028 N/A ASP 44.A N SER 41.A O no hydrogen 2.912 N/A PHE 45.A N LEU 42.A O no hydrogen 3.022 N/A HIS 46.A ND1 ILE 54.A O no hydrogen 2.777 N/A HIS 46.A NE2 SER 62.A OG no hydrogen 2.810 N/A CYS 47.A SG PHE 45.A O no hydrogen 3.991 N/A CYS 47.A SG ASP 48.A O no hydrogen 3.665 N/A ASP 48.A N ASN 52.A O no hydrogen 2.908 N/A GLY 51.A N ASP 48.A O no hydrogen 2.845 N/A ASN 52.A N ASP 48.A OD1 no hydrogen 2.816 N/A ASN 52.A ND2 ASP 48.A OD2 no hydrogen 3.210 N/A ILE 54.A N HIS 46.A O no hydrogen 2.841 N/A VAL 60.A N GLY 57.A O no hydrogen 2.949 N/A SER 62.A N TYR 90.A O no hydrogen 2.821 N/A SER 62.A OG HIS 46.A NE2 no hydrogen 2.810 N/A ARG 63.A N ASP 61.A OD1 no hydrogen 3.089 N/A ARG 63.A NE SER 93.A OG no hydrogen 2.854 N/A TYR 65.A N SER 62.A O no hydrogen 3.106 N/A LEU 66.A N SER 62.A O no hydrogen 3.118 N/A GLN 67.A N ARG 63.A O no hydrogen 2.891 N/A GLN 67.A NE2 GLN 67.A O no hydrogen 3.617 N/A GLN 67.A NE2 ASP 71.A OD1 no hydrogen 2.935 N/A GLN 67.A NE2 GLN 107.A O no hydrogen 3.033 N/A ALA 68.A N GLN 64.A O no hydrogen 2.876 N/A ALA 69.A N TYR 65.A O no hydrogen 3.062 N/A ILE 70.A N LEU 66.A O no hydrogen 2.990 N/A ASP 71.A N GLN 67.A O no hydrogen 2.840 N/A TYR 72.A N ALA 68.A O no hydrogen 3.012 N/A VAL 73.A N ALA 69.A O no hydrogen 2.963 N/A SER 74.A N ILE 70.A O no hydrogen 2.916 N/A SER 75.A N ASP 71.A O no hydrogen 3.128 N/A SER 75.A OG TYR 72.A O no hydrogen 2.418 N/A ASN 76.A N VAL 73.A O no hydrogen 3.061 N/A GLY 77.A N SER 74.A O no hydrogen 3.092 N/A GLY 78.A N VAL 73.A O no hydrogen 3.033 N/A GLY 79.A N ASN 111.A O no hydrogen 2.954 N/A ILE 81.A N ASN 113.A O no hydrogen 2.960 N/A THR 82.A N VAL 40.A O no hydrogen 3.129 N/A ILE 83.A N ASN 115.A O no hydrogen 2.893 N/A TRP 89.A N ARG 119.A O no hydrogen 2.770 N/A TRP 89.A NE1 PRO 84.A O no hydrogen 3.156 N/A LEU 91.A N HIS 121.A O.A no hydrogen 2.867 N/A LEU 91.A N HIS 121.A O.B no hydrogen 2.934 N/A GLY 92.A N ASP 61.A OD1 no hydrogen 2.892 N/A SER 93.A OG ASP 61.A OD2 no hydrogen 2.538 N/A TYR 94.A OH PRO 130.A O no hydrogen 2.596 N/A GLY 95.A N GLY 104.A O no hydrogen 2.822 N/A ALA 100.A N GLY 97.A O no hydrogen 2.915 N/A HIS 102.A N ILE 99.A O no hydrogen 3.093 N/A HIS 102.A NE2 ASN 139.A O no hydrogen 2.829 N/A SER 103.A N ALA 100.A O no hydrogen 3.210 N/A GLY 104.A N ILE 99.A O no hydrogen 2.896 N/A ILE 105.A N GLN 132.A O no hydrogen 2.975 N/A ILE 106.A N VAL 133.A O no hydrogen 2.824 N/A GLN 107.A N GLN 67.A OE1 no hydrogen 2.845 N/A LEU 108.A N VAL 135.A O no hydrogen 2.870 N/A ARG 109.A NE ASP 71.A OD1 no hydrogen 2.654 N/A ARG 109.A NH2 ASP 71.A OD1 no hydrogen 3.093 N/A ASN 111.A N GLU 149.A O no hydrogen 2.846 N/A VAL 112.A N ARG 109.A O no hydrogen 3.166 N/A ASN 113.A N GLY 79.A O no hydrogen 2.782 N/A LEU 114.A N HIS 152.A O no hydrogen 2.879 N/A ASN 115.A N ILE 81.A O no hydrogen 2.887 N/A ILE 116.A N TYR 154.A O no hydrogen 2.678 N/A GLU 117.A N ILE 83.A O no hydrogen 2.963 N/A GLY 118.A N ILE 83.A O no hydrogen 2.937 N/A ARG 119.A N TYR 87.A O no hydrogen 3.084 N/A ARG 119.A NE HIS 121.A NE2.A no hydrogen 2.788 N/A ARG 119.A NH2 HIS 121.A NE2.A no hydrogen 2.978 N/A ILE 120.A N VAL 158.A O no hydrogen 2.766 N/A HIS 121.A N.A TRP 89.A O no hydrogen 2.946 N/A HIS 121.A N.B TRP 89.A O no hydrogen 2.955 N/A LEU 122.A N ASP 160.A O no hydrogen 3.175 N/A SER 123.A N LEU 91.A O no hydrogen 2.954 N/A SER 123.A OG LEU 91.A O no hydrogen 3.204 N/A PHE 126.A N SER 123.A O no hydrogen 3.032 N/A ASP 127.A N PRO 124.A O no hydrogen 2.909 N/A LYS 129.A N PHE 126.A O no hydrogen 3.071 N/A GLN 132.A N SER 103.A O no hydrogen 2.974 N/A GLN 132.A NE2 HIS 102.A O no hydrogen 2.922 N/A VAL 133.A N ASN 174.A O no hydrogen 3.044 N/A PHE 134.A N GLY 175.A O no hydrogen 2.856 N/A VAL 135.A N ILE 106.A O no hydrogen 2.814 N/A GLY 136.A N ALA 177.A O no hydrogen 2.807 N/A ASP 138.A N SER 145.A OG no hydrogen 3.110 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 2.840 N/A SER 144.A N ASP 141.A O no hydrogen 2.872 N/A SER 144.A OG ASP 141.A OD2 no hydrogen 2.838 N/A SER 145.A N PRO 142.A O no hydrogen 3.068 N/A SER 145.A OG ASP 138.A OD1 no hydrogen 3.341 N/A SER 145.A OG GLY 146.A O no hydrogen 2.831 N/A GLY 146.A N ASP 138.A OD1 no hydrogen 3.051 N/A GLY 146.A N ASP 138.A OD2 no hydrogen 3.179 N/A LEU 148.A N ARG 180.A O no hydrogen 2.866 N/A GLU 149.A N SER 110.A OG no hydrogen 2.860 N/A ASN 150.A N TYR 182.A O no hydrogen 2.886 N/A ASN 150.A ND2 ASN 111.A OD1 no hydrogen 2.937 N/A CYS 151.A SG VAL 112.A O no hydrogen 3.462 N/A HIS 152.A N ASN 113.A OD1 no hydrogen 2.888 N/A HIS 152.A ND1 SER 185.A OG no hydrogen 2.722 N/A ILE 153.A N SER 185.A O no hydrogen 2.908 N/A TYR 154.A N LEU 114.A O no hydrogen 2.995 N/A GLY 155.A N THR 187.A O no hydrogen 3.216 N/A HIS 156.A N GLU 117.A OE2 no hydrogen 3.087 N/A HIS 156.A ND1 GLU 117.A OE1 no hydrogen 3.022 N/A GLY 157.A N ILE 116.A O no hydrogen 2.942 N/A VAL 158.A N GLY 118.A O no hydrogen 3.210 N/A VAL 159.A N THR 190.A O no hydrogen 2.746 N/A ASP 160.A N ILE 120.A O no hydrogen 2.810 N/A PHE 161.A N GLN 192.A O no hydrogen 2.940 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 2.731 N/A GLY 163.A N ASN 193.A O no hydrogen 2.678 N/A TYR 164.A OH LEU 122.A O no hydrogen 3.116 N/A PHE 166.A N ASP 195.A OD2 no hydrogen 2.996 N/A GLY 167.A N GLN 171.A OE1 no hydrogen 2.782 N/A ALA 168.A N GLN 171.A OE1 no hydrogen 3.233 N/A SER 169.A OG VAL 226.A O no hydrogen 2.432 N/A GLN 171.A N ALA 168.A O no hydrogen 3.009 N/A GLN 171.A NE2 LEU 128.A O no hydrogen 2.934 N/A ARG 173.A N THR 197.A OG1 no hydrogen 3.099 N/A ARG 173.A NE LYS 129.A O no hydrogen 2.819 N/A ARG 173.A NH1 TYR 164.A O no hydrogen 2.825 N/A ARG 173.A NH1 ASP 195.A O no hydrogen 2.990 N/A ARG 173.A NH2 LYS 129.A O no hydrogen 2.884 N/A ARG 173.A NH2 GLU 165.A O no hydrogen 2.959 N/A ASN 174.A N PHE 131.A O no hydrogen 2.879 N/A ASN 174.A ND2 GLN 132.A OE1 no hydrogen 3.478 N/A ASN 174.A ND2 THR 201.A OG1.A no hydrogen 3.223 N/A ASN 174.A ND2 THR 201.A OG1.B no hydrogen 2.966 N/A VAL 176.A N ALA 199.A O no hydrogen 2.764 N/A ALA 177.A N PHE 134.A O no hydrogen 2.745 N/A PHE 178.A N THR 201.A O.A no hydrogen 3.079 N/A PHE 178.A N THR 201.A O.B no hydrogen 3.063 N/A ARG 180.A NH1 PRO 142.A O no hydrogen 3.205 N/A ARG 180.A NH1 ALA 143.A O no hydrogen 3.315 N/A SER 181.A OG GLY 179.A O no hydrogen 3.150 N/A TYR 182.A N LEU 148.A O no hydrogen 2.833 N/A ASN 183.A N SER 209.A O no hydrogen 2.882 N/A ASN 183.A ND2 ASN 150.A OD1 no hydrogen 2.990 N/A CYS 184.A SG LEU 148.A O no hydrogen 3.663 N/A CYS 184.A SG TYR 182.A O no hydrogen 3.611 N/A SER 185.A N CYS 151.A O no hydrogen 3.022 N/A SER 185.A OG HIS 152.A ND1 no hydrogen 2.722 N/A VAL 186.A N TYR 212.A O no hydrogen 2.894 N/A THR 187.A N ILE 153.A O no hydrogen 2.904 N/A GLY 188.A N ARG 214.A O no hydrogen 3.115 N/A THR 190.A N GLY 157.A O no hydrogen 3.149 N/A PHE 191.A N ARG 217.A O no hydrogen 2.813 N/A GLN 192.A N VAL 159.A O no hydrogen 2.937 N/A GLN 192.A NE2 ASP 160.A OD2 no hydrogen 2.858 N/A ASN 193.A N ILE 219.A O no hydrogen 3.024 N/A ASN 193.A ND2 ASP 160.A OD1 no hydrogen 2.971 N/A GLY 194.A N ASN 220.A O no hydrogen 2.966 N/A VAL 196.A N LEU 221.A O no hydrogen 2.922 N/A THR 197.A N ARG 173.A O no hydrogen 2.871 N/A TRP 198.A N ARG 173.A O no hydrogen 3.157 N/A ALA 199.A N THR 232.A O no hydrogen 2.866 N/A ILE 200.A N THR 232.A O no hydrogen 3.146 N/A THR 201.A N.A VAL 176.A O no hydrogen 2.762 N/A THR 201.A N.B VAL 176.A O no hydrogen 2.763 N/A LEU 202.A N TYR 234.A O no hydrogen 2.773 N/A GLY 203.A N SER 181.A OG no hydrogen 2.879 N/A TRP 204.A N TYR 207.A O no hydrogen 3.040 N/A GLY 206.A N ASN 236.A O no hydrogen 2.924 N/A TYR 207.A N TRP 204.A O no hydrogen 2.818 N/A SER 209.A N SER 181.A O no hydrogen 2.901 N/A ASN 210.A ND2 TYR 239.A O no hydrogen 3.311 N/A CYS 211.A N SER 240.A OG no hydrogen 2.943 N/A CYS 211.A SG SER 181.A O no hydrogen 3.057 N/A CYS 211.A SG SER 181.A OG no hydrogen 3.304 N/A CYS 211.A SG SER 209.A O no hydrogen 3.564 N/A TYR 212.A N CYS 184.A O no hydrogen 3.138 N/A VAL 213.A N GLY 241.A O no hydrogen 2.960 N/A ARG 214.A N VAL 186.A O no hydrogen 3.038 N/A ARG 214.A NE GLU 243.A OE2 no hydrogen 3.315 N/A LYS 215.A N GLU 243.A O no hydrogen 3.352 N/A CYS 216.A SG VAL 186.A O no hydrogen 3.481 N/A CYS 216.A SG ARG 214.A O no hydrogen 3.644 N/A ARG 217.A N ILE 189.A O no hydrogen 2.930 N/A ARG 217.A NE THR 190.A OG1 no hydrogen 2.968 N/A ARG 217.A NH2 THR 190.A OG1 no hydrogen 3.089 N/A PHE 218.A N TYR 246.A O no hydrogen 2.812 N/A ILE 219.A N PHE 191.A O no hydrogen 2.853 N/A ASN 220.A N SER 248.A O no hydrogen 2.833 N/A ASN 223.A N ASP 195.A OD1 no hydrogen 2.779 N/A ASN 223.A ND2 GLY 163.A O no hydrogen 2.965 N/A SER 224.A N ASP 195.A OD1 no hydrogen 3.230 N/A SER 224.A OG ASP 195.A OD2 no hydrogen 2.680 N/A VAL 226.A N SER 224.A OG no hydrogen 3.015 N/A ASN 227.A N SER 224.A OG no hydrogen 3.349 N/A ASN 227.A ND2 ASP 195.A OD1 no hydrogen 3.015 N/A ASN 227.A ND2 VAL 196.A O no hydrogen 3.039 N/A ALA 229.A N ASN 227.A OD1 no hydrogen 3.159 N/A HIS 230.A N ILE 257.A O no hydrogen 3.426 N/A HIS 230.A ND1 VAL 196.A O no hydrogen 2.839 N/A HIS 230.A NE2 THR 232.A OG1 no hydrogen 2.657 N/A SER 231.A N THR 197.A O no hydrogen 2.822 N/A SER 231.A OG GLN 262.A OE1 no hydrogen 2.690 N/A THR 232.A N CYS 259.A O no hydrogen 2.852 N/A THR 232.A OG1 HIS 230.A NE2 no hydrogen 2.657 N/A THR 232.A OG1 CYS 259.A O no hydrogen 3.543 N/A THR 232.A OG1 TYR 278.A OH no hydrogen 2.703 N/A VAL 233.A N SER 260.A O no hydrogen 2.997 N/A TYR 234.A N ILE 200.A O no hydrogen 2.865 N/A VAL 235.A N GLN 262.A O no hydrogen 2.794 N/A ASN 236.A N LEU 202.A O no hydrogen 2.675 N/A ASN 236.A ND2 ASN 205.A OD1 no hydrogen 3.497 N/A CYS 237.A SG SER 240.A OG no hydrogen 3.389 N/A TYR 239.A N HIS 266.A O no hydrogen 3.282 N/A SER 240.A N ASP 267.A O no hydrogen 3.382 N/A SER 240.A OG CYS 237.A O no hydrogen 3.469 N/A SER 240.A OG PRO 238.A O no hydrogen 2.805 N/A GLY 241.A N CYS 211.A O no hydrogen 3.009 N/A VAL 242.A N PHE 269.A O no hydrogen 2.919 N/A GLU 243.A N VAL 213.A O no hydrogen 2.832 N/A SER 244.A N ARG 271.A O no hydrogen 2.986 N/A CYS 245.A N SER 273.A OG no hydrogen 3.044 N/A CYS 245.A SG VAL 213.A O no hydrogen 3.715 N/A CYS 245.A SG GLU 243.A O no hydrogen 3.467 N/A TYR 246.A N CYS 216.A O no hydrogen 2.917 N/A PHE 247.A N THR 274.A O no hydrogen 2.784 N/A SER 248.A N PHE 218.A O no hydrogen 2.789 N/A MET 249.A N ASN 276.A O no hydrogen 2.858 N/A SER 250.A OG ASN 220.A OD1 no hydrogen 3.009 N/A SER 251.A OG VAL 222.A O no hydrogen 2.962 N/A ALA 254.A N SER 251.A O no hydrogen 3.292 N/A ALA 254.A N SER 251.A OG no hydrogen 3.225 N/A ARG 255.A N SER 252.A O no hydrogen 3.198 N/A ASN 256.A N PHE 253.A O no hydrogen 3.030 N/A ILE 257.A N PHE 253.A O no hydrogen 3.074 N/A ALA 258.A N ALA 254.A O no hydrogen 2.905 N/A CYS 259.A N HIS 230.A O no hydrogen 2.787 N/A CYS 259.A SG VAL 261.A O no hydrogen 3.314 N/A SER 260.A N ARG 280.A O no hydrogen 3.094 N/A SER 260.A OG TYR 270.A OH no hydrogen 2.645 N/A SER 260.A OG GLY 281.A O no hydrogen 2.588 N/A VAL 261.A N GLY 281.A O no hydrogen 3.103 N/A GLN 262.A N VAL 233.A O no hydrogen 2.890 N/A LEU 263.A N TYR 283.A O no hydrogen 2.769 N/A HIS 264.A N VAL 235.A O no hydrogen 2.892 N/A HIS 264.A ND1 GLU 290.A OE1 no hydrogen 2.580 N/A GLN 265.A NE2 ASN 236.A OD1 no hydrogen 2.913 N/A GLN 265.A NE2 GLU 290.A O no hydrogen 2.960 N/A HIS 266.A ND1 ASP 267.A OD2 no hydrogen 2.601 N/A ASP 267.A N TYR 299.A O no hydrogen 2.752 N/A THR 268.A N ASN 300.A O no hydrogen 3.106 N/A THR 268.A OG1 GLN 265.A O no hydrogen 2.809 N/A PHE 269.A N SER 240.A O no hydrogen 3.264 N/A TYR 270.A N GLN 302.A O no hydrogen 2.758 N/A TYR 270.A OH SER 260.A OG no hydrogen 2.645 N/A ARG 271.A N VAL 242.A O no hydrogen 2.941 N/A ARG 271.A NH1 GLN 302.A OE1 no hydrogen 2.740 N/A ARG 271.A NH2 GLU 243.A OE1 no hydrogen 3.136 N/A GLY 272.A N GLU 304.A O no hydrogen 3.089 N/A SER 273.A N ASN 306.A OD1 no hydrogen 2.799 N/A SER 273.A OG ARG 271.A O no hydrogen 2.958 N/A THR 274.A N CYS 245.A O no hydrogen 3.012 N/A VAL 275.A N ILE 307.A O no hydrogen 2.824 N/A ASN 276.A N PHE 247.A O no hydrogen 2.828 N/A GLY 277.A N VAL 309.A O no hydrogen 3.144 N/A TYR 278.A OH THR 232.A OG1 no hydrogen 2.703 N/A CYS 279.A SG ARG 255.A O no hydrogen 3.148 N/A ARG 280.A N ALA 258.A O no hydrogen 2.911 N/A ARG 280.A NE GLN 313.A OE1 no hydrogen 2.676 N/A GLY 281.A N GLN 313.A O no hydrogen 3.111 N/A ALA 282.A N PHE 314.A O no hydrogen 2.727 N/A TYR 283.A N VAL 261.A O no hydrogen 3.016 N/A VAL 284.A N ILE 316.A O no hydrogen 2.754 N/A VAL 285.A N LEU 263.A O no hydrogen 3.092 N/A MET 286.A N GLY 318.A O no hydrogen 3.231 N/A HIS 287.A ND1 ASP 320.A OD2 no hydrogen 2.663 N/A ALA 288.A N ASP 320.A OD1 no hydrogen 3.100 N/A GLU 290.A N HIS 287.A O no hydrogen 2.849 N/A ALA 291.A N ALA 288.A O no hydrogen 3.393 N/A GLY 293.A N ASN 205.A O no hydrogen 2.853 N/A ALA 298.A N HIS 328.A O no hydrogen 2.855 N/A ASN 300.A ND2 ASP 267.A OD1 no hydrogen 2.886 N/A MET 301.A N ASP 331.A O no hydrogen 3.113 N/A GLN 302.A N THR 268.A O no hydrogen 2.992 N/A VAL 303.A N ILE 333.A O no hydrogen 2.894 N/A GLU 304.A N TYR 270.A O no hydrogen 3.019 N/A ASN 305.A N SER 335.A O.A no hydrogen 2.923 N/A ASN 305.A N SER 335.A O.B no hydrogen 2.954 N/A ASN 306.A N ASN 337.A OD1 no hydrogen 2.987 N/A ASN 306.A ND2 TYR 270.A O no hydrogen 3.206 N/A ASN 306.A ND2 ASN 337.A OD1 no hydrogen 3.046 N/A ILE 307.A N SER 273.A O no hydrogen 2.874 N/A ALA 308.A N ILE 338.A O no hydrogen 2.915 N/A VAL 309.A N VAL 275.A O no hydrogen 2.761 N/A ILE 310.A N SER 340.A O no hydrogen 2.974 N/A TYR 311.A N TYR 278.A O no hydrogen 2.879 N/A GLY 312.A N CYS 279.A O no hydrogen 2.758 N/A GLN 313.A NE2 PHE 351.A O no hydrogen 2.865 N/A PHE 314.A N ALA 353.A O no hydrogen 2.799 N/A VAL 315.A N PHE 354.A O no hydrogen 2.863 N/A ILE 316.A N ALA 282.A O no hydrogen 2.893 N/A LEU 317.A N ASP 356.A O no hydrogen 2.879 N/A GLY 318.A N VAL 284.A O no hydrogen 3.173 N/A SER 319.A OG GLY 327.A O no hydrogen 3.301 N/A ASP 320.A N MET 286.A O no hydrogen 3.255 N/A THR 322.A N VAL 325.A O no hydrogen 2.785 N/A THR 322.A OG1 VAL 325.A O no hydrogen 3.399 N/A VAL 325.A N THR 322.A OG1 no hydrogen 2.966 N/A GLY 327.A N ASP 320.A O no hydrogen 2.866 N/A HIS 328.A N SER 296.A O.A no hydrogen 3.001 N/A HIS 328.A N SER 296.A O.B no hydrogen 3.008 N/A HIS 328.A ND1 ASP 369.A OD2 no hydrogen 2.699 N/A LEU 329.A N ASP 369.A O no hydrogen 2.867 N/A ASN 330.A N ALA 298.A O no hydrogen 2.890 N/A ASN 330.A ND2 ASP 331.A OD2 no hydrogen 3.029 N/A ASP 331.A N GLN 371.A O no hydrogen 3.396 N/A VAL 332.A N ARG 372.A O no hydrogen 3.043 N/A ILE 333.A N MET 301.A O no hydrogen 2.853 N/A VAL 334.A N LEU 374.A O no hydrogen 2.859 N/A SER 335.A N.A VAL 303.A O no hydrogen 3.003 N/A SER 335.A N.B VAL 303.A O no hydrogen 3.010 N/A SER 335.A OG.A GLU 304.A OE2 no hydrogen 2.864 N/A SER 335.A OG.B THR 376.A O no hydrogen 3.078 N/A GLY 336.A N THR 376.A O no hydrogen 3.407 N/A GLY 336.A N GLY 377.A O no hydrogen 3.136 N/A ASN 337.A N ASN 378.A OD1 no hydrogen 2.963 N/A ASN 337.A ND2 VAL 303.A O no hydrogen 3.026 N/A ASN 337.A ND2 ASN 378.A OD1 no hydrogen 2.983 N/A ILE 338.A N ASN 306.A O no hydrogen 2.922 N/A VAL 339.A N SER 379.A O.A no hydrogen 2.983 N/A VAL 339.A N SER 379.A O.B no hydrogen 2.861 N/A SER 340.A N ALA 308.A O no hydrogen 2.850 N/A ILE 341.A N TYR 381.A O no hydrogen 2.879 N/A GLY 342.A N ILE 310.A O no hydrogen 2.897 N/A ARG 344.A NE TYR 311.A O no hydrogen 2.874 N/A ARG 344.A NH1 ALA 345.A O no hydrogen 3.046 N/A ARG 344.A NH1 ASP 388.A OD1 no hydrogen 3.286 N/A ARG 344.A NH1 ASP 388.A OD2 no hydrogen 2.978 N/A ARG 344.A NH2 TYR 311.A O no hydrogen 2.952 N/A ARG 344.A NH2 ASP 388.A OD2 no hydrogen 2.948 N/A PHE 347.A N ASP 388.A OD1 no hydrogen 2.836 N/A SER 348.A N ALA 345.A O no hydrogen 3.219 N/A SER 348.A OG ALA 345.A O no hydrogen 2.634 N/A GLY 352.A N ASP 388.A O no hydrogen 2.738 N/A ALA 353.A N GLY 312.A O no hydrogen 3.056 N/A PHE 354.A N ALA 390.A O no hydrogen 2.999 N/A ILE 355.A N ALA 391.A O no hydrogen 2.821 N/A ASP 356.A N VAL 315.A O no hydrogen 2.852 N/A ILE 357.A N THR 393.A O no hydrogen 2.851 N/A GLY 358.A N LEU 317.A O no hydrogen 3.204 N/A ASP 360.A N ALA 364.A O no hydrogen 2.835 N/A SER 362.A OG ASP 360.A OD1 no hydrogen 2.798 N/A SER 362.A OG ASP 360.A OD2 no hydrogen 3.479 N/A GLY 363.A N ASP 360.A O no hydrogen 2.923 N/A ALA 364.A N ASP 360.A OD1 no hydrogen 2.767 N/A VAL 367.A N GLN 368.A OE1 no hydrogen 3.079 N/A GLN 368.A N GLN 368.A OE1 no hydrogen 2.688 N/A GLN 368.A NE2 ALA 364.A O no hydrogen 3.052 N/A ASP 369.A N SER 319.A OG no hydrogen 2.865 N/A GLN 371.A N LEU 329.A O no hydrogen 2.948 N/A ARG 372.A NE ASP 331.A OD1 no hydrogen 2.799 N/A ARG 372.A NH2 ASP 331.A OD2 no hydrogen 2.928 N/A LEU 374.A N VAL 332.A O no hydrogen 2.860 N/A VAL 375.A N THR 402.A O no hydrogen 2.740 N/A THR 376.A N VAL 334.A O no hydrogen 2.918 N/A THR 376.A OG1 ILE 404.A O no hydrogen 2.793 N/A GLY 377.A N ILE 404.A O no hydrogen 3.365 N/A GLY 377.A N ALA 405.A O no hydrogen 3.053 N/A ASN 378.A N ASN 406.A OD1 no hydrogen 3.023 N/A ASN 378.A ND2 VAL 334.A O no hydrogen 2.972 N/A ASN 378.A ND2 ASN 406.A OD1 no hydrogen 2.904 N/A SER 379.A N.A ASN 337.A O no hydrogen 2.914 N/A SER 379.A N.B ASN 337.A O no hydrogen 2.928 N/A PHE 380.A N ASN 407.A O no hydrogen 2.930 N/A TYR 381.A N VAL 339.A O no hydrogen 3.077 N/A ALA 382.A N ASP 409.A O no hydrogen 2.925 N/A ASN 385.A ND2 ARG 344.A O no hydrogen 2.912 N/A ILE 386.A N PRO 383.A O no hydrogen 2.994 N/A ASP 388.A N ASP 388.A OD1 no hydrogen 2.663 N/A SER 389.A OG ILE 386.A O no hydrogen 2.754 N/A ALA 390.A N GLY 352.A O no hydrogen 2.934 N/A ALA 391.A N TYR 412.A O no hydrogen 3.035 N/A ILE 392.A N MET 413.A O no hydrogen 2.935 N/A THR 393.A N ILE 355.A O no hydrogen 2.920 N/A THR 393.A OG1 ASP 356.A OD1 no hydrogen 2.621 N/A LEU 394.A N TYR 415.A O no hydrogen 2.885 N/A ARG 395.A N ILE 357.A O no hydrogen 3.099 N/A ARG 395.A NE ASP 356.A OD1 no hydrogen 2.915 N/A ARG 395.A NH2 ASP 356.A OD1 no hydrogen 3.534 N/A ARG 395.A NH2 ASP 356.A OD2 no hydrogen 2.822 N/A ASN 397.A N SER 365.A O no hydrogen 2.867 N/A LEU 398.A N VAL 424.A O no hydrogen 2.925 N/A ASN 399.A N ILE 370.A O no hydrogen 2.850 N/A ASN 399.A ND2 ASP 369.A OD1 no hydrogen 2.907 N/A CYS 401.A N ASN 427.A O no hydrogen 3.071 N/A THR 402.A N VAL 373.A O no hydrogen 2.801 N/A THR 402.A OG1 VAL 373.A O no hydrogen 3.503 N/A PHE 403.A N VAL 429.A O no hydrogen 2.715 N/A ILE 404.A N VAL 375.A O no hydrogen 2.937 N/A ALA 405.A N SER 433.A OG no hydrogen 2.923 N/A ASN 406.A N ASN 434.A OD1 no hydrogen 3.084 N/A ASN 406.A ND2 VAL 375.A O no hydrogen 2.905 N/A ASN 406.A ND2 ASN 434.A OD1 no hydrogen 2.842 N/A ASN 407.A N ASN 378.A O no hydrogen 2.863 N/A ASN 407.A ND2 VAL 435.A O no hydrogen 3.380 N/A PHE 408.A N VAL 435.A O no hydrogen 2.911 N/A ASP 409.A N PHE 380.A O no hydrogen 2.840 N/A CYS 410.A SG TYR 412.A O no hydrogen 3.289 N/A ARG 411.A N SER 389.A OG no hydrogen 3.067 N/A ARG 411.A NE HIS 440.A ND1 no hydrogen 2.921 N/A ARG 411.A NH1 GLN 447.A OE1 no hydrogen 2.892 N/A ARG 411.A NH2 ALA 384.A O no hydrogen 2.896 N/A TYR 412.A N SER 389.A O no hydrogen 2.865 N/A MET 413.A N LEU 449.A O no hydrogen 2.814 N/A TYR 415.A N ILE 392.A O no hydrogen 2.958 N/A ASN 416.A ND2 THR 421.A O no hydrogen 3.074 N/A ASN 416.A ND2 THR 421.A OG1 no hydrogen 3.222 N/A ASN 416.A ND2 GLN 453.A O no hydrogen 3.012 N/A THR 420.A OG1 ALA 417.A O no hydrogen 2.783 N/A THR 421.A OG1 ARG 395.A O no hydrogen 2.968 N/A VAL 424.A N ASN 397.A OD1 no hydrogen 2.892 N/A VAL 425.A N SER 456.A O no hydrogen 2.921 N/A GLN 426.A N LEU 398.A O no hydrogen 2.792 N/A ASN 427.A N VAL 458.A O no hydrogen 3.000 N/A ASN 427.A ND2 ASN 399.A O no hydrogen 3.025 N/A LEU 428.A N SER 460.A OG no hydrogen 3.117 N/A VAL 429.A N CYS 401.A O no hydrogen 2.844 N/A TRP 430.A N THR 461.A O no hydrogen 2.725 N/A ASP 431.A N PHE 403.A O no hydrogen 3.059 N/A LYS 432.A N GLU 463.A OE1 no hydrogen 2.978 N/A LYS 432.A NZ GLN 465.A OE1 no hydrogen 3.538 N/A LYS 432.A NZ ASP 493.A OD1 no hydrogen 2.872 N/A SER 433.A N ASP 431.A OD2 no hydrogen 2.952 N/A SER 433.A OG ASP 431.A OD2 no hydrogen 2.644 N/A ASN 434.A N ASP 431.A O no hydrogen 3.095 N/A ASN 434.A ND2 PHE 403.A O no hydrogen 2.965 N/A ASN 434.A ND2 ASP 431.A O no hydrogen 2.897 N/A VAL 435.A N ASN 406.A O no hydrogen 2.781 N/A GLY 437.A N PHE 408.A O no hydrogen 2.807 N/A THR 439.A N ASP 409.A OD1 no hydrogen 2.897 N/A THR 439.A OG1 ASP 409.A OD1 no hydrogen 3.251 N/A THR 439.A OG1 ASP 409.A OD2 no hydrogen 2.610 N/A HIS 440.A NE2 ALA 382.A O no hydrogen 2.696 N/A ALA 441.A N GLY 438.A O no hydrogen 3.086 N/A ASN 442.A N ASP 470.A OD1 no hydrogen 2.895 N/A GLN 443.A N HIS 440.A O no hydrogen 3.011 N/A ARG 444.A N SER 472.A OG no hydrogen 2.878 N/A ARG 444.A NE ARG 411.A O no hydrogen 2.760 N/A ARG 444.A NH1 ASP 470.A OD2 no hydrogen 2.832 N/A ARG 444.A NH2 CYS 410.A O no hydrogen 2.956 N/A ARG 444.A NH2 ARG 411.A O no hydrogen 3.422 N/A GLN 447.A N ARG 444.A O no hydrogen 2.869 N/A ASN 448.A ND2 ASP 451.A OD1 no hydrogen 3.170 N/A LEU 449.A N SER 475.A O no hydrogen 3.042 N/A PHE 450.A N CYS 476.A O no hydrogen 2.847 N/A ASP 451.A N VAL 414.A O no hydrogen 2.888 N/A MET 452.A N LEU 478.A O no hydrogen 2.993 N/A GLN 453.A N ASP 451.A O no hydrogen 2.969 N/A GLN 453.A NE2 ASP 451.A OD1 no hydrogen 3.009 N/A PHE 454.A N MET 452.A O no hydrogen 2.900 N/A ALA 455.A N PRO 423.A O no hydrogen 2.822 N/A VAL 457.A N GLN 484.A O no hydrogen 2.782 N/A VAL 458.A N VAL 425.A O no hydrogen 2.946 N/A ASN 459.A N SER 486.A O no hydrogen 3.424 N/A SER 460.A N SER 488.A OG no hydrogen 3.202 N/A SER 460.A OG VAL 458.A O no hydrogen 2.933 N/A THR 461.A N LEU 428.A O no hydrogen 2.783 N/A ILE 462.A N LYS 489.A O no hydrogen 2.791 N/A GLU 463.A N TRP 430.A O no hydrogen 3.003 N/A VAL 464.A N THR 491.A O no hydrogen 2.832 N/A GLN 465.A NE2 LEU 466.A O no hydrogen 2.949 N/A GLN 465.A NE2 ASP 493.A OD2 no hydrogen 2.985 N/A CYS 468.A SG GLU 469.A O no hydrogen 3.969 N/A SER 472.A N ASP 470.A OD1 no hydrogen 2.920 N/A SER 472.A OG ASP 470.A OD1 no hydrogen 2.532 N/A SER 472.A OG ASP 470.A OD2 no hydrogen 3.381 N/A PHE 474.A N GLN 447.A O no hydrogen 2.789 N/A SER 475.A OG ASN 448.A OD1 no hydrogen 2.858 N/A CYS 476.A N THR 503.A O no hydrogen 2.796 N/A ILE 477.A N THR 503.A O no hydrogen 3.167 N/A LEU 478.A N PHE 450.A O no hydrogen 3.025 N/A PHE 479.A N VAL 505.A O no hydrogen 2.899 N/A CYS 483.A N PRO 480.A O no hydrogen 2.989 N/A CYS 483.A SG MET 452.A O no hydrogen 4.012 N/A CYS 483.A SG GLN 484.A O no hydrogen 3.436 N/A GLN 484.A N ALA 455.A O no hydrogen 3.049 N/A SER 486.A N VAL 457.A O no hydrogen 3.044 N/A SER 488.A N ASN 515.A O no hydrogen 3.266 N/A SER 488.A OG SER 486.A O no hydrogen 2.914 N/A LYS 489.A N SER 460.A O no hydrogen 2.825 N/A LYS 489.A NZ GLU 463.A OE2 no hydrogen 3.072 N/A ILE 490.A N TYR 517.A O no hydrogen 2.879 N/A THR 491.A N ILE 462.A O no hydrogen 2.940 N/A VAL 492.A N SER 519.A O no hydrogen 2.866 N/A ASP 493.A N VAL 464.A O no hydrogen 2.947 N/A ALA 495.A N ASP 493.A OD2 no hydrogen 2.941 N/A THR 497.A N SER 494.A O no hydrogen 2.911 N/A THR 497.A OG1 SER 494.A O no hydrogen 2.764 N/A MET 500.A N THR 497.A O no hydrogen 2.916 N/A ASN 502.A ND2 PHE 474.A O no hydrogen 2.971 N/A THR 503.A OG1 PRO 521.A O no hydrogen 2.781 N/A ALA 504.A N THR 503.A OG1 no hydrogen 2.834 N/A VAL 505.A N ILE 477.A O no hydrogen 2.883 N/A GLU 507.A N PHE 479.A O no hydrogen 2.828 N/A GLY 508.A N GLN 510.A OE1 no hydrogen 2.798 N/A ASN 509.A N.A PHE 506.A O no hydrogen 2.952 N/A ASN 509.A N.B PHE 506.A O no hydrogen 3.008 N/A GLN 510.A N GLN 510.A OE1 no hydrogen 2.861 N/A GLN 510.A NE2 PHE 479.A O no hydrogen 3.699 N/A GLN 510.A NE2 PRO 480.A O no hydrogen 2.847 N/A GLN 510.A NE2 CYS 483.A O no hydrogen 2.886 N/A GLN 511.A N GLN 511.A OE1 no hydrogen 2.759 N/A GLN 511.A NE2 TYR 520.A OH no hydrogen 3.050 N/A ALA 512.A N ASN 509.A O.A no hydrogen 3.292 N/A ALA 512.A N ASN 509.A O.B no hydrogen 3.159 N/A GLY 513.A N GLN 510.A O no hydrogen 3.087 N/A VAL 516.A N GLY 513.A O no hydrogen 3.148 N/A TYR 517.A N SER 488.A O no hydrogen 2.796 N/A VAL 518.A N.A ARG 597.A O no hydrogen 3.022 N/A VAL 518.A N.B ARG 597.A O no hydrogen 3.016 N/A SER 519.A N ILE 490.A O no hydrogen 3.104 N/A TYR 520.A N LEU 595.A O no hydrogen 2.968 N/A ALA 522.A N LEU 593.A O no hydrogen 2.810 N/A VAL 524.A N VAL 591.A O no hydrogen 2.763 N/A LEU 526.A N VAL 589.A O no hydrogen 2.757 N/A THR 527.A N PHE 538.A O no hydrogen 2.822 N/A THR 527.A OG1 SER 588.A OG.B no hydrogen 3.427 N/A SER 528.A N ARG 587.A O no hydrogen 2.725 N/A SER 528.A OG TYR 529.A O no hydrogen 2.737 N/A TYR 529.A N PRO 536.A O no hydrogen 3.231 N/A GLN 532.A NE2 GLU 582.A O no hydrogen 3.117 N/A GLY 533.A N ASN 581.A O no hydrogen 2.787 N/A VAL 535.A N GLY 579.A O no hydrogen 3.014 N/A PHE 537.A N GLY 577.A O no hydrogen 2.826 N/A PHE 538.A N THR 527.A O no hydrogen 2.894 N/A SER 539.A N LEU 575.A O no hydrogen 2.984 N/A SER 539.A OG ASP 541.A O no hydrogen 2.711 N/A THR 540.A N ASN 525.A O no hydrogen 2.908 N/A TYR 544.A N GLY 573.A O no hydrogen 2.824 N/A TRP 546.A NE1 ASN 543.A O.A no hydrogen 3.060 N/A TRP 546.A NE1 ASN 543.A O.B no hydrogen 3.096 N/A VAL 547.A N TYR 544.A O no hydrogen 3.193 N/A THR 548.A N GLN 596.A O no hydrogen 2.832 N/A THR 548.A OG1 GLN 596.A O no hydrogen 3.140 N/A SER 549.A N GLN 596.A O no hydrogen 3.224 N/A ALA 550.A N TYR 567.A O no hydrogen 2.935 N/A TYR 551.A N MET 594.A O no hydrogen 3.168 N/A SER 552.A N ALA 565.A O no hydrogen 2.967 N/A SER 552.A OG SER 554.A O no hydrogen 2.977 N/A LEU 553.A N ARG 592.A O no hydrogen 2.663 N/A SER 554.A N SER 552.A OG no hydrogen 3.227 N/A ASN 556.A ND2 PHE 561.A O no hydrogen 2.936 N/A ASN 558.A N ASN 556.A OD1 no hydrogen 3.182 N/A ASN 558.A ND2 ASN 556.A OD1 no hydrogen 2.975 N/A SER 562.A N TYR 580.A O no hydrogen 2.915 N/A TYR 567.A N ALA 550.A O no hydrogen 2.779 N/A TYR 567.A OH PRO 564.A O no hydrogen 3.420 N/A THR 568.A N VAL 576.A O no hydrogen 2.933 N/A THR 568.A OG1 THR 548.A O no hydrogen 3.278 N/A ASN 569.A N THR 568.A OG1 no hydrogen 2.808 N/A ASN 569.A ND2 TYR 544.A O no hydrogen 3.111 N/A ASN 569.A ND2 ALA 545.A O no hydrogen 2.880 N/A LYS 570.A N GLN 574.A O no hydrogen 2.952 N/A LYS 570.A NZ GLN 574.A OE1 no hydrogen 2.999 N/A ASN 572.A ND2 GLN 574.A OE1 no hydrogen 2.974 N/A GLY 573.A N LYS 570.A O no hydrogen 2.985 N/A GLN 574.A N ASN 572.A OD1 no hydrogen 3.098 N/A GLN 574.A NE2 SER 539.A O no hydrogen 2.979 N/A LEU 575.A N SER 539.A OG no hydrogen 2.859 N/A VAL 576.A N THR 568.A O no hydrogen 2.877 N/A GLY 577.A N PHE 537.A O no hydrogen 2.999 N/A GLY 579.A N VAL 535.A O no hydrogen 2.862 N/A TYR 580.A N SER 562.A O no hydrogen 3.084 N/A ASN 581.A N GLY 533.A O no hydrogen 2.858 N/A ASN 581.A ND2 THR 531.A O no hydrogen 2.936 N/A ASN 581.A ND2 GLY 585.A O no hydrogen 3.078 N/A GLU 582.A N ASP 560.A O no hydrogen 2.915 N/A ILE 583.A N ASP 560.A O no hydrogen 3.435 N/A GLY 585.A N ASN 530.A O.A no hydrogen 2.859 N/A GLY 585.A N ASN 530.A O.B no hydrogen 2.785 N/A ARG 587.A N SER 528.A OG no hydrogen 2.977 N/A ARG 587.A NE ASN 581.A OD1 no hydrogen 2.751 N/A ARG 587.A NH2 ASN 581.A OD1 no hydrogen 3.408 N/A ARG 587.A NH2 ILE 583.A O no hydrogen 2.892 N/A SER 588.A OG.B THR 527.A OG1 no hydrogen 3.427 N/A VAL 589.A N LEU 526.A O no hydrogen 3.054 N/A SER 590.A OG.B ASN 525.A OD1 no hydrogen 2.348 N/A VAL 591.A N VAL 524.A O no hydrogen 2.931 N/A ARG 592.A N SER 554.A OG no hydrogen 2.787 N/A ARG 592.A NH1 MET 500.A O no hydrogen 3.314 N/A ARG 592.A NH1 THR 523.A OG1 no hydrogen 2.893 N/A ARG 592.A NH2 MET 500.A O no hydrogen 2.973 N/A LEU 593.A N ALA 522.A O no hydrogen 2.886 N/A MET 594.A N TYR 551.A O no hydrogen 2.883 N/A LEU 595.A N TYR 520.A O no hydrogen 2.946 N/A GLN 596.A N SER 549.A O no hydrogen 2.851 N/A GLN 596.A NE2 SER 549.A OG no hydrogen 2.869 N/A ARG 597.A N VAL 518.A O.A no hydrogen 2.795 N/A ARG 597.A N VAL 518.A O.B no hydrogen 2.809 N/A ARG 597.A NE GLY 513.A O no hydrogen 3.205 N/A ARG 597.A NH1 TRP 546.A O no hydrogen 2.976 N/A ARG 597.A NH2 GLY 513.A O no hydrogen 2.786 N/A GLN 598.A N THR 548.A OG1 no hydrogen 2.806 N/A GLN 598.A NE2 ALA 514.A O no hydrogen 2.956 N/A GLN 598.A NE2 VAL 516.A O no hydrogen 2.946 N/A