Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ump_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N TYR 2.A O no hydrogen 2.855 N/A ASP 7.A N ALA 3.A O no hydrogen 2.939 N/A ARG 8.A N ARG 4.A O no hydrogen 3.026 N/A ALA 9.A N THR 5.A O no hydrogen 2.869 N/A VAL 10.A N LEU 6.A O no hydrogen 2.823 N/A GLU 11.A N ASP 7.A O no hydrogen 3.080 N/A TYR 12.A N ARG 8.A O no hydrogen 2.849 N/A LEU 13.A N ALA 9.A O no hydrogen 2.868 N/A LEU 14.A N VAL 10.A O no hydrogen 2.994 N/A SER 15.A N GLU 11.A O no hydrogen 3.153 N/A SER 15.A OG TYR 12.A O no hydrogen 2.625 N/A CYS 16.A N TYR 12.A O no hydrogen 3.088 N/A CYS 16.A N LEU 13.A O no hydrogen 3.099 N/A CYS 16.A SG TYR 12.A O no hydrogen 3.409 N/A GLN 17.A N LEU 14.A O no hydrogen 3.192 N/A GLN 17.A NE2 GLY 21.A O no hydrogen 2.741 N/A GLN 17.A NE2 ARG 323.A O no hydrogen 2.965 N/A LYS 18.A N TYR 22.A O no hydrogen 2.873 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.752 N/A GLY 21.A N LYS 18.A O no hydrogen 2.991 N/A TRP 23.A N THR 305.A OG1 no hydrogen 2.854 N/A TRP 23.A NE1 LEU 13.A O no hydrogen 2.853 N/A GLY 25.A N ASP 304.A OD2 no hydrogen 3.042 N/A LEU 27.A N GLN 296.A OE1 no hydrogen 2.831 N/A LEU 28.A N GLY 599.A O no hydrogen 2.954 N/A THR 32.A N ASN 30.A OD1 no hydrogen 2.985 N/A THR 32.A OG1 ASN 30.A OD1 no hydrogen 2.626 N/A MET 33.A N ASN 30.A O no hydrogen 3.433 N/A ALA 35.A N VAL 31.A O no hydrogen 2.968 N/A GLU 36.A N THR 32.A O no hydrogen 2.920 N/A TYR 37.A N MET 33.A O no hydrogen 3.076 N/A VAL 38.A N GLU 34.A O no hydrogen 2.964 N/A LEU 39.A N ALA 35.A O no hydrogen 3.278 N/A LEU 40.A N GLU 36.A O no hydrogen 2.812 N/A CYS 41.A N TYR 37.A O no hydrogen 3.009 N/A CYS 41.A SG TYR 37.A O no hydrogen 3.342 N/A HIS 42.A N VAL 38.A O no hydrogen 3.085 N/A HIS 42.A NE2 PHE 178.A O no hydrogen 2.860 N/A ILE 43.A N LEU 39.A O no hydrogen 2.896 N/A LEU 44.A N LEU 40.A O no hydrogen 2.902 N/A ASP 45.A N HIS 42.A O no hydrogen 3.090 N/A ARG 46.A N CYS 41.A O no hydrogen 2.861 N/A ARG 51.A N ASP 48.A OD1 no hydrogen 3.363 N/A ARG 51.A NH1 GLU 282.A OE2 no hydrogen 3.002 N/A ARG 51.A NH2 GLU 282.A OE1 no hydrogen 3.120 N/A MET 52.A N ASP 48.A O no hydrogen 2.913 N/A GLU 53.A N ARG 49.A O no hydrogen 3.038 N/A LYS 54.A N ASP 50.A O no hydrogen 3.024 N/A LYS 54.A NZ GLU 287.A OE1 no hydrogen 2.669 N/A ILE 55.A N ARG 51.A O no hydrogen 2.922 N/A ARG 56.A N MET 52.A O no hydrogen 2.863 N/A ARG 56.A NE GLU 53.A OE1 no hydrogen 3.082 N/A ARG 56.A NH2 GLU 53.A OE2 no hydrogen 3.019 N/A ARG 57.A N GLU 53.A O no hydrogen 3.036 N/A ARG 57.A NE GLU 53.A OE2 no hydrogen 2.883 N/A ARG 57.A NH1 GLY 291.A O no hydrogen 3.271 N/A ARG 57.A NH2 GLU 53.A OE2 no hydrogen 3.365 N/A TYR 58.A N LYS 54.A O no hydrogen 2.968 N/A TYR 58.A OH GLU 34.A OE1 no hydrogen 2.816 N/A LEU 59.A N ILE 55.A O no hydrogen 2.790 N/A LEU 60.A N ARG 56.A O no hydrogen 3.014 N/A HIS 61.A N ARG 57.A O no hydrogen 3.084 N/A GLU 62.A N TYR 58.A O no hydrogen 3.030 N/A GLN 63.A N LEU 59.A O no hydrogen 3.109 N/A GLN 63.A NE2 GLY 67.A O no hydrogen 2.919 N/A GLN 63.A NE2 PRO 100.A O no hydrogen 2.784 N/A ARG 64.A N THR 68.A O no hydrogen 3.043 N/A ARG 64.A NE THR 68.A O no hydrogen 3.056 N/A ARG 64.A NH1 GLY 75.A O no hydrogen 2.915 N/A ARG 64.A NH2 THR 68.A OG1 no hydrogen 3.157 N/A ARG 64.A NH2 GLY 75.A O no hydrogen 3.239 N/A GLY 67.A N ARG 64.A O no hydrogen 3.146 N/A THR 68.A OG1 ASP 66.A OD2 no hydrogen 3.273 N/A TRP 69.A N THR 82.A OG1 no hydrogen 3.316 N/A TRP 69.A NE1 LEU 59.A O no hydrogen 2.907 N/A GLY 75.A N TYR 72.A O no hydrogen 2.922 N/A ASP 78.A N TRP 69.A O no hydrogen 2.967 N/A THR 81.A N ASP 78.A OD1 no hydrogen 3.293 N/A THR 81.A OG1 ASP 78.A OD1 no hydrogen 2.722 N/A THR 82.A N ASP 78.A O no hydrogen 3.118 N/A THR 82.A OG1 ASP 78.A O no hydrogen 2.833 N/A ILE 83.A N LEU 79.A O no hydrogen 3.024 N/A GLU 84.A N ASP 80.A O no hydrogen 3.142 N/A ALA 85.A N THR 81.A O no hydrogen 3.009 N/A TYR 86.A N THR 82.A O no hydrogen 2.934 N/A TYR 86.A OH GLU 188.A OE2 no hydrogen 2.628 N/A VAL 87.A N ILE 83.A O no hydrogen 2.907 N/A ALA 88.A N GLU 84.A O no hydrogen 2.987 N/A LEU 89.A N ALA 85.A O no hydrogen 2.950 N/A LYS 90.A N TYR 86.A O no hydrogen 2.981 N/A LYS 90.A NZ ARG 185.A O no hydrogen 3.078 N/A LYS 90.A NZ GLU 188.A OE2 no hydrogen 2.467 N/A TYR 91.A N VAL 87.A O no hydrogen 3.077 N/A ILE 92.A N ALA 88.A O no hydrogen 3.063 N/A GLY 93.A N LEU 89.A O no hydrogen 3.032 N/A MET 94.A N LEU 89.A O no hydrogen 2.953 N/A SER 95.A N GLU 98.A OE2 no hydrogen 3.148 N/A SER 95.A OG ASP 97.A OD1 no hydrogen 2.536 N/A ASP 97.A N SER 95.A OG no hydrogen 3.314 N/A GLU 98.A N SER 95.A O no hydrogen 3.491 N/A MET 101.A N GLU 98.A O no hydrogen 2.912 N/A GLN 102.A N GLU 98.A O no hydrogen 3.033 N/A LYS 103.A N GLU 99.A O no hydrogen 3.080 N/A LYS 103.A NZ GLU 65.A O no hydrogen 2.325 N/A ALA 104.A N PRO 100.A O no hydrogen 3.373 N/A LEU 105.A N MET 101.A O no hydrogen 2.856 N/A ARG 106.A N GLN 102.A O no hydrogen 3.159 N/A PHE 107.A N LYS 103.A O no hydrogen 3.216 N/A ILE 108.A N ALA 104.A O no hydrogen 2.990 N/A GLN 109.A N LEU 105.A O no hydrogen 2.835 N/A GLN 109.A NE2 GLU 188.A O no hydrogen 3.000 N/A SER 110.A N ARG 106.A O no hydrogen 3.085 N/A SER 110.A OG PHE 107.A O no hydrogen 2.667 N/A GLN 111.A N PHE 107.A O no hydrogen 3.219 N/A GLN 111.A N ILE 108.A O no hydrogen 3.226 N/A GLY 112.A N GLN 109.A O no hydrogen 3.339 N/A GLY 113.A N ILE 108.A O no hydrogen 3.014 N/A ILE 114.A N LEU 189.A O no hydrogen 3.017 N/A SER 116.A N GLY 113.A O no hydrogen 3.241 N/A SER 116.A OG GLN 111.A O no hydrogen 2.798 N/A SER 117.A N ILE 114.A O no hydrogen 2.966 N/A SER 117.A OG ILE 114.A O no hydrogen 2.493 N/A ARG 118.A N ASP 80.A OD1 no hydrogen 2.947 N/A ARG 118.A NE THR 121.A OG1 no hydrogen 3.034 N/A ARG 118.A NH2 GLU 84.A OE2 no hydrogen 2.824 N/A VAL 119.A N ASP 427.A OD2 no hydrogen 3.159 N/A THR 121.A OG1 GLU 84.A OE2 no hydrogen 2.705 N/A ARG 122.A N ARG 118.A O no hydrogen 3.194 N/A ARG 122.A NE SER 117.A O no hydrogen 2.889 N/A ARG 122.A NH1 TYR 131.A OH no hydrogen 3.358 N/A ARG 122.A NH2 SER 117.A O no hydrogen 3.178 N/A MET 123.A N VAL 119.A O no hydrogen 2.715 N/A TRP 124.A N PHE 120.A O no hydrogen 2.904 N/A TRP 124.A NE1 TYR 258.A OH no hydrogen 3.004 N/A LEU 125.A N THR 121.A O no hydrogen 3.104 N/A ALA 126.A N ARG 122.A O no hydrogen 2.940 N/A LEU 127.A N MET 123.A O no hydrogen 2.930 N/A VAL 128.A N TRP 124.A O no hydrogen 3.353 N/A VAL 128.A N LEU 125.A O no hydrogen 3.099 N/A GLY 129.A N ALA 126.A O no hydrogen 3.086 N/A GLU 130.A N LEU 125.A O no hydrogen 2.808 N/A TYR 131.A OH GLU 115.A OE1 no hydrogen 3.326 N/A TRP 133.A NE1 PRO 176.A O no hydrogen 2.991 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 3.075 N/A LYS 135.A N PRO 132.A O no hydrogen 3.200 N/A VAL 136.A N TRP 133.A O no hydrogen 2.998 N/A MET 138.A N ASP 213.A OD1 no hydrogen 2.887 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.763 N/A ILE 143.A N PRO 140.A O no hydrogen 3.089 N/A MET 144.A N PRO 141.A O no hydrogen 3.026 N/A PHE 145.A N GLU 142.A O no hydrogen 2.985 N/A LEU 146.A N ILE 143.A O no hydrogen 3.206 N/A MET 150.A N GLY 147.A O no hydrogen 3.130 N/A LEU 152.A N GLU 156.A OE1 no hydrogen 3.182 N/A ASN 153.A N MET 150.A O no hydrogen 3.430 N/A ASN 153.A ND2 MET 150.A O no hydrogen 2.705 N/A TYR 155.A N ASN 153.A OD1 no hydrogen 2.964 N/A GLU 156.A N ASN 153.A O no hydrogen 3.079 N/A PHE 157.A N ILE 154.A O no hydrogen 3.380 N/A GLY 158.A N VAL 431.A O no hydrogen 2.622 N/A TRP 160.A NE1 GLU 430.A O no hydrogen 2.763 N/A ARG 162.A N GLY 158.A O no hydrogen 3.001 N/A ARG 162.A NE ILE 154.A O no hydrogen 3.084 N/A ARG 162.A NH1 ASP 341.A OD2 no hydrogen 3.139 N/A ARG 162.A NH2 PHE 157.A O no hydrogen 2.690 N/A ARG 162.A NH2 ASP 412.A OD2 no hydrogen 3.332 N/A THR 164.A OG1 TRP 160.A O no hydrogen 2.782 N/A VAL 165.A N ALA 161.A O no hydrogen 2.860 N/A VAL 166.A N ARG 162.A O no hydrogen 2.967 N/A ALA 167.A N ALA 163.A O no hydrogen 3.214 N/A LEU 168.A N THR 164.A O no hydrogen 2.966 N/A SER 169.A N VAL 165.A O no hydrogen 2.776 N/A SER 169.A OG VAL 166.A O no hydrogen 2.638 N/A ILE 170.A N ALA 167.A O no hydrogen 3.206 N/A VAL 171.A N ALA 167.A O no hydrogen 3.185 N/A MET 172.A N LEU 168.A O no hydrogen 2.685 N/A SER 173.A N SER 169.A O no hydrogen 3.395 N/A SER 173.A OG GLU 232.A OE2 no hydrogen 2.471 N/A ARG 174.A N VAL 171.A O no hydrogen 3.203 N/A ARG 174.A NE GLU 232.A OE2 no hydrogen 3.173 N/A ARG 174.A NH2 GLU 232.A OE1 no hydrogen 3.144 N/A GLN 175.A N VAL 171.A O no hydrogen 3.012 N/A GLN 175.A NE2 TRP 133.A O no hydrogen 3.630 N/A PHE 178.A N LEU 127.A O no hydrogen 2.798 N/A LEU 180.A N VAL 128.A O no hydrogen 3.389 N/A ARG 183.A NH1 LYS 90.A O no hydrogen 2.883 N/A ARG 183.A NH2 MET 94.A O no hydrogen 3.434 N/A ALA 184.A N PRO 181.A O no hydrogen 2.987 N/A ARG 185.A N GLU 182.A O no hydrogen 3.204 N/A VAL 186.A N GLU 130.A OE1 no hydrogen 2.981 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.852 N/A LEU 189.A N VAL 186.A O no hydrogen 3.176 N/A TYR 190.A N PRO 187.A O no hydrogen 3.123 N/A TYR 190.A OH GLU 130.A O no hydrogen 2.457 N/A GLU 191.A N GLU 188.A O no hydrogen 3.392 N/A THR 192.A OG1 GLN 109.A O no hydrogen 2.664 N/A VAL 194.A N THR 192.A OG1 no hydrogen 3.074 N/A ARG 197.A N SER 116.A OG no hydrogen 2.942 N/A ARG 199.A NH1 ASP 80.A OD1 no hydrogen 3.166 N/A ARG 199.A NH1 SER 116.A O no hydrogen 3.510 N/A ARG 199.A NH2 ASP 80.A OD2 no hydrogen 2.869 N/A LYS 202.A N CYS 426.A O no hydrogen 3.065 N/A LYS 202.A NZ ASP 595.A OD2 no hydrogen 2.472 N/A GLY 203.A N ASN 421.A O no hydrogen 3.266 N/A ALA 211.A N TRP 207.A O no hydrogen 2.957 N/A LEU 212.A N ILE 208.A O no hydrogen 2.943 N/A ASP 213.A N PHE 209.A O no hydrogen 2.935 N/A ARG 214.A N ASP 210.A O no hydrogen 3.158 N/A ALA 215.A N ALA 211.A O no hydrogen 2.892 N/A LEU 216.A N LEU 212.A O no hydrogen 2.904 N/A HIS 217.A N ASP 213.A O no hydrogen 3.096 N/A HIS 217.A NE2 VAL 136.A O no hydrogen 2.684 N/A GLY 218.A N ARG 214.A O no hydrogen 3.101 N/A TYR 219.A N ALA 215.A O no hydrogen 2.939 N/A GLN 220.A N LEU 216.A O no hydrogen 3.095 N/A GLN 220.A NE2 SER 173.A O no hydrogen 3.210 N/A LYS 221.A N GLY 218.A O no hydrogen 3.223 N/A LEU 222.A N TYR 219.A O no hydrogen 3.340 N/A ARG 228.A N HIS 225.A O no hydrogen 3.116 N/A ARG 228.A NE GLU 142.A OE2 no hydrogen 2.904 N/A ARG 228.A NH1 GLN 220.A OE1 no hydrogen 2.683 N/A ARG 228.A NH2 GLU 142.A OE1 no hydrogen 3.117 N/A ARG 228.A NH2 GLU 142.A OE2 no hydrogen 3.472 N/A ARG 228.A NH2 GLN 220.A OE1 no hydrogen 3.484 N/A ALA 231.A N PHE 227.A O no hydrogen 3.146 N/A GLU 232.A N ARG 228.A O no hydrogen 2.905 N/A ILE 233.A N ARG 229.A O no hydrogen 2.883 N/A ARG 234.A N ALA 230.A O no hydrogen 2.988 N/A ARG 234.A NH1 MET 144.A O no hydrogen 3.371 N/A ALA 235.A N ALA 231.A O no hydrogen 3.034 N/A LEU 236.A N GLU 232.A O no hydrogen 2.945 N/A ASP 237.A N ILE 233.A O no hydrogen 2.846 N/A TRP 238.A N ARG 234.A O no hydrogen 3.014 N/A TRP 238.A NE1 TYR 155.A OH no hydrogen 3.000 N/A LEU 239.A N ALA 235.A O no hydrogen 3.069 N/A LEU 240.A N LEU 236.A O no hydrogen 2.810 N/A GLU 241.A N ASP 237.A O no hydrogen 2.880 N/A ARG 242.A N LEU 239.A O no hydrogen 3.152 N/A ARG 242.A NE ASP 341.A OD1 no hydrogen 2.917 N/A ARG 242.A NH1 TRP 238.A O no hydrogen 3.305 N/A ARG 242.A NH1 GLU 241.A OE1 no hydrogen 2.866 N/A ARG 242.A NH2 ASP 341.A OD1 no hydrogen 3.493 N/A GLN 243.A N LEU 239.A O no hydrogen 3.104 N/A GLN 243.A NE2 GLY 247.A O no hydrogen 2.871 N/A GLN 243.A NE2 ALA 273.A O no hydrogen 2.889 N/A ALA 244.A N SER 248.A O no hydrogen 2.899 N/A GLY 247.A N ALA 244.A O no hydrogen 2.971 N/A SER 248.A N ASP 246.A OD1 no hydrogen 3.008 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 2.646 N/A TRP 249.A NE1 LEU 239.A O no hydrogen 2.833 N/A GLY 251.A N SER 248.A OG no hydrogen 3.132 N/A ILE 252.A N TRP 249.A O no hydrogen 3.483 N/A GLN 253.A N ALA 297.A O no hydrogen 3.111 N/A GLN 253.A NE2 GLU 36.A OE1 no hydrogen 2.911 N/A TRP 256.A NE1 GLY 277.A O no hydrogen 2.939 N/A PHE 257.A N GLN 253.A O no hydrogen 2.998 N/A TYR 258.A N PRO 254.A O no hydrogen 3.052 N/A ALA 259.A N PRO 255.A O no hydrogen 2.852 N/A LEU 260.A N TRP 256.A O no hydrogen 3.078 N/A ILE 261.A N PHE 257.A O no hydrogen 3.035 N/A ALA 262.A N TYR 258.A O no hydrogen 2.869 N/A LEU 263.A N ALA 259.A O no hydrogen 2.921 N/A LYS 264.A N LEU 260.A O no hydrogen 2.990 N/A ILE 265.A N ILE 261.A O no hydrogen 3.016 N/A LEU 266.A N ALA 262.A O no hydrogen 3.158 N/A ASP 267.A N LYS 264.A O no hydrogen 2.961 N/A MET 268.A N LEU 263.A O no hydrogen 2.945 N/A HIS 271.A N MET 268.A O no hydrogen 3.022 N/A ALA 273.A N HIS 271.A ND1 no hydrogen 2.967 N/A PHE 274.A N HIS 271.A O no hydrogen 3.027 N/A ILE 275.A N HIS 271.A O no hydrogen 3.209 N/A LYS 276.A N PRO 272.A O no hydrogen 2.881 N/A GLY 277.A N ALA 273.A O no hydrogen 2.832 N/A TRP 278.A N PHE 274.A O no hydrogen 2.801 N/A GLU 279.A N ILE 275.A O no hydrogen 3.006 N/A GLY 280.A N LYS 276.A O no hydrogen 2.836 N/A LEU 281.A N TRP 278.A O no hydrogen 3.265 N/A LEU 283.A N GLY 280.A O no hydrogen 3.237 N/A TYR 284.A N LEU 281.A O no hydrogen 3.027 N/A TYR 284.A OH ASP 246.A OD2 no hydrogen 2.877 N/A GLY 285.A N GLU 282.A O no hydrogen 3.181 N/A VAL 286.A N MET 294.A O no hydrogen 2.796 N/A LEU 288.A N GLY 292.A O no hydrogen 2.830 N/A GLY 291.A N LEU 288.A O no hydrogen 3.038 N/A TRP 293.A N LYS 54.A O no hydrogen 3.389 N/A MET 294.A N VAL 286.A O no hydrogen 3.006 N/A PHE 295.A N GLU 34.A OE2 no hydrogen 2.790 N/A GLN 296.A N TYR 284.A O no hydrogen 2.961 N/A GLN 296.A NE2 TYR 284.A O no hydrogen 3.655 N/A SER 298.A OG GLY 251.A O no hydrogen 2.581 N/A SER 300.A OG GLY 25.A O no hydrogen 3.372 N/A SER 300.A OG ASP 304.A OD2 no hydrogen 2.587 N/A VAL 302.A N PHE 356.A O no hydrogen 3.173 N/A TRP 303.A NE1 TYR 603.A OH no hydrogen 2.855 N/A ASP 304.A N SER 300.A O no hydrogen 2.954 N/A THR 305.A N PRO 301.A O no hydrogen 2.953 N/A THR 305.A OG1 TRP 23.A O no hydrogen 3.273 N/A THR 305.A OG1 PRO 301.A O no hydrogen 2.557 N/A GLY 306.A N VAL 302.A O no hydrogen 2.920 N/A LEU 307.A N TRP 303.A O no hydrogen 3.191 N/A ALA 308.A N ASP 304.A O no hydrogen 2.933 N/A VAL 309.A N THR 305.A O no hydrogen 3.075 N/A LEU 310.A N GLY 306.A O no hydrogen 3.136 N/A ALA 311.A N LEU 307.A O no hydrogen 2.872 N/A LEU 312.A N ALA 308.A O no hydrogen 3.000 N/A ARG 313.A N VAL 309.A O no hydrogen 3.082 N/A ARG 313.A NE THR 378.A O no hydrogen 2.713 N/A ARG 313.A NH1 LEU 317.A O no hydrogen 2.947 N/A ARG 313.A NH2 THR 378.A O no hydrogen 3.019 N/A ALA 314.A N LEU 310.A O no hydrogen 3.128 N/A ALA 315.A N ALA 311.A O no hydrogen 2.887 N/A GLY 316.A N ARG 313.A O no hydrogen 3.093 N/A LEU 317.A N LEU 312.A O no hydrogen 2.919 N/A HIS 321.A N PRO 318.A O no hydrogen 3.288 N/A ARG 323.A N HIS 321.A ND1 no hydrogen 3.376 N/A ARG 323.A NE GLN 17.A OE1 no hydrogen 3.162 N/A ARG 323.A NH2 ASP 19.A O no hydrogen 3.322 N/A VAL 325.A N HIS 321.A O no hydrogen 2.859 N/A LYS 326.A N ASP 322.A O no hydrogen 2.990 N/A ALA 327.A N ARG 323.A O no hydrogen 3.218 N/A GLY 328.A N LEU 324.A O no hydrogen 2.911 N/A GLU 329.A N VAL 325.A O no hydrogen 2.940 N/A TRP 330.A N LYS 326.A O no hydrogen 3.197 N/A LEU 331.A N ALA 327.A O no hydrogen 2.954 N/A LEU 332.A N GLY 328.A O no hydrogen 3.018 N/A ASP 333.A N TRP 330.A O no hydrogen 3.233 N/A ARG 334.A N LEU 331.A O no hydrogen 3.081 N/A GLN 335.A N LEU 332.A O no hydrogen 3.297 N/A GLN 335.A NE2 GLY 352.A O no hydrogen 2.794 N/A GLN 335.A NE2 ALA 390.A O no hydrogen 2.803 N/A ILE 336.A N GLY 353.A O no hydrogen 2.971 N/A ASP 341.A N TYR 362.A O no hydrogen 3.308 N/A ALA 343.A N GLY 340.A O no hydrogen 2.980 N/A VAL 344.A N ASP 341.A O no hydrogen 3.025 N/A LYS 345.A N TRP 342.A O no hydrogen 3.181 N/A ARG 346.A N TRP 342.A O no hydrogen 3.227 N/A ARG 346.A NE GLY 400.A O no hydrogen 2.891 N/A ARG 346.A NH1 LYS 345.A O no hydrogen 2.985 N/A LEU 349.A N ARG 346.A O no hydrogen 3.373 N/A PHE 354.A N THR 369.A OG1 no hydrogen 2.704 N/A GLN 357.A NE2 GLY 251.A O no hydrogen 3.658 N/A GLN 357.A NE2 SER 298.A OG no hydrogen 2.995 N/A ASN 360.A ND2 GLN 357.A OE1 no hydrogen 2.733 N/A TYR 363.A N ASN 360.A O no hydrogen 3.235 N/A TYR 363.A OH ASP 341.A OD2 no hydrogen 2.702 N/A ASP 365.A N PHE 354.A O no hydrogen 2.893 N/A VAL 366.A N ALA 410.A O no hydrogen 2.589 N/A ASP 368.A N ASP 365.A OD2 no hydrogen 3.127 N/A THR 369.A N ASP 365.A O no hydrogen 3.079 N/A THR 369.A OG1 PHE 354.A O no hydrogen 3.411 N/A THR 369.A OG1 ASP 365.A O no hydrogen 2.719 N/A ALA 370.A N VAL 366.A O no hydrogen 2.815 N/A VAL 371.A N ASP 367.A O no hydrogen 2.990 N/A VAL 372.A N ASP 368.A O no hydrogen 2.866 N/A VAL 373.A N THR 369.A O no hydrogen 2.998 N/A TRP 374.A N ALA 370.A O no hydrogen 3.119 N/A ALA 375.A N VAL 371.A O no hydrogen 2.963 N/A LEU 376.A N VAL 372.A O no hydrogen 2.966 N/A ASN 377.A N VAL 373.A O no hydrogen 2.926 N/A ASN 377.A ND2 SER 449.A OG no hydrogen 2.616 N/A THR 378.A N TRP 374.A O no hydrogen 3.271 N/A THR 378.A N ALA 375.A O no hydrogen 3.118 N/A THR 378.A OG1 ALA 375.A O no hydrogen 2.586 N/A LEU 379.A N LEU 376.A O no hydrogen 3.216 N/A ARG 380.A N ALA 319.A O no hydrogen 2.917 N/A ARG 386.A NH2 ASP 383.A OD2 no hydrogen 2.950 N/A ARG 387.A N ASP 383.A O no hydrogen 3.211 N/A ARG 387.A NE LEU 376.A O no hydrogen 3.003 N/A ARG 388.A N GLU 384.A O no hydrogen 3.426 N/A ASP 389.A N ARG 385.A O no hydrogen 3.072 N/A ALA 390.A N ARG 386.A O no hydrogen 3.121 N/A MET 391.A N ARG 387.A O no hydrogen 3.161 N/A THR 392.A N ARG 388.A O no hydrogen 2.892 N/A THR 392.A OG1 ARG 388.A O no hydrogen 2.812 N/A LYS 393.A N ASP 389.A O no hydrogen 2.849 N/A GLY 394.A N ALA 390.A O no hydrogen 2.887 N/A PHE 395.A N MET 391.A O no hydrogen 2.594 N/A ARG 396.A N THR 392.A O no hydrogen 2.989 N/A TRP 397.A N LYS 393.A O no hydrogen 3.129 N/A ILE 398.A N GLY 394.A O no hydrogen 2.981 N/A VAL 399.A N PHE 395.A O no hydrogen 2.941 N/A GLY 400.A N ARG 396.A O no hydrogen 2.998 N/A MET 401.A N ILE 398.A O no hydrogen 2.979 N/A GLN 402.A N VAL 399.A O no hydrogen 3.475 N/A GLN 402.A NE2 GLY 406.A O no hydrogen 3.104 N/A GLN 402.A NE2 VAL 458.A O no hydrogen 2.951 N/A SER 403.A N GLY 407.A O no hydrogen 3.089 N/A SER 404.A N ASP 414.A OD1 no hydrogen 3.112 N/A SER 404.A OG ASP 414.A OD1 no hydrogen 3.049 N/A SER 404.A OG ASP 414.A OD2 no hydrogen 2.620 N/A GLY 406.A N SER 403.A O no hydrogen 3.099 N/A TRP 408.A N THR 440.A OG1 no hydrogen 3.018 N/A TRP 408.A NE1 ILE 398.A O no hydrogen 2.755 N/A ALA 410.A N ASP 433.A OD1 no hydrogen 3.182 N/A TYR 411.A N ASP 433.A OD2 no hydrogen 2.747 N/A ASP 414.A N SER 403.A OG no hydrogen 3.200 N/A ASN 415.A ND2 GLU 156.A O no hydrogen 3.503 N/A ASN 415.A ND2 PHE 157.A O no hydrogen 3.238 N/A THR 416.A OG1 ASP 414.A O no hydrogen 3.559 N/A SER 417.A OG GLU 156.A OE1 no hydrogen 3.339 N/A LEU 419.A N SER 417.A OG no hydrogen 3.235 N/A HIS 422.A N LEU 419.A O no hydrogen 3.250 N/A HIS 422.A ND1 GLY 204.A O no hydrogen 3.299 N/A CYS 426.A N ILE 423.A O no hydrogen 3.073 N/A CYS 426.A SG PRO 420.A O no hydrogen 3.528 N/A ASP 427.A N PHE 425.A O no hydrogen 3.100 N/A GLY 429.A N ASP 595.A OD2 no hydrogen 3.057 N/A ASP 433.A N ASN 415.A OD1 no hydrogen 2.864 N/A SER 436.A N TRP 408.A O no hydrogen 3.133 N/A SER 436.A OG ASP 438.A OD1 no hydrogen 2.717 N/A GLU 437.A N GLU 437.A OE1 no hydrogen 2.624 N/A VAL 439.A N ASP 438.A OD1 no hydrogen 2.838 N/A THR 440.A N SER 436.A O no hydrogen 3.373 N/A THR 440.A OG1 SER 436.A O no hydrogen 2.664 N/A ALA 441.A N GLU 437.A O no hydrogen 2.917 N/A HIS 442.A N ASP 438.A O no hydrogen 3.048 N/A HIS 442.A ND1 ASP 367.A OD1 no hydrogen 2.871 N/A VAL 443.A N VAL 439.A O no hydrogen 2.885 N/A LEU 444.A N THR 440.A O no hydrogen 3.003 N/A GLU 445.A N ALA 441.A O no hydrogen 2.849 N/A CYS 446.A N HIS 442.A O no hydrogen 2.967 N/A CYS 446.A SG ALA 370.A O no hydrogen 3.465 N/A PHE 447.A N VAL 443.A O no hydrogen 2.752 N/A GLY 448.A N LEU 444.A O no hydrogen 3.001 N/A SER 449.A N GLU 445.A O no hydrogen 3.322 N/A SER 449.A N CYS 446.A O no hydrogen 3.048 N/A SER 449.A OG CYS 446.A O no hydrogen 2.921 N/A PHE 450.A N PHE 447.A O no hydrogen 3.199 N/A GLY 451.A N GLY 448.A O no hydrogen 3.060 N/A TYR 452.A N PHE 447.A O no hydrogen 3.251 N/A ALA 455.A N ASP 453.A OD1 no hydrogen 3.333 N/A TRP 456.A N ASP 453.A O no hydrogen 3.249 N/A ARG 460.A N TRP 456.A O no hydrogen 3.399 N/A ARG 461.A N LYS 457.A O no hydrogen 3.287 N/A ARG 461.A NH1 GLN 402.A OE1 no hydrogen 3.227 N/A ARG 461.A NH2 SER 403.A O no hydrogen 3.406 N/A ALA 462.A N VAL 458.A O no hydrogen 3.334 N/A VAL 463.A N ILE 459.A O no hydrogen 2.861 N/A GLU 464.A N ARG 460.A O no hydrogen 2.950 N/A TYR 465.A N ARG 461.A O no hydrogen 3.255 N/A LEU 466.A N ALA 462.A O no hydrogen 3.346 N/A LYS 467.A N VAL 463.A O no hydrogen 3.158 N/A ARG 468.A N GLU 464.A O no hydrogen 3.068 N/A ARG 468.A N TYR 465.A O no hydrogen 3.174 N/A GLU 469.A N TYR 465.A O no hydrogen 3.232 N/A GLU 469.A N LEU 466.A O no hydrogen 2.970 N/A GLN 470.A NE2 GLY 474.A O no hydrogen 2.988 N/A GLN 470.A NE2 TYR 506.A O no hydrogen 2.884 N/A LYS 471.A N SER 475.A O no hydrogen 2.866 N/A GLY 474.A N LYS 471.A O no hydrogen 3.027 N/A SER 475.A N ASP 473.A OD1 no hydrogen 3.313 N/A SER 475.A OG ASP 473.A OD1 no hydrogen 2.847 N/A TRP 476.A N THR 488.A OG1 no hydrogen 2.700 N/A TRP 476.A NE1 LEU 466.A O no hydrogen 2.990 N/A GLY 478.A N ASN 483.A OD1 no hydrogen 3.020 N/A ARG 479.A NH1 ARG 479.A O no hydrogen 3.007 N/A ARG 479.A NH1 GLY 591.A O no hydrogen 3.007 N/A TRP 480.A N ASP 438.A OD2 no hydrogen 3.012 N/A VAL 482.A N THR 588.A O no hydrogen 2.996 N/A ASN 483.A N GLU 526.A OE1 no hydrogen 2.779 N/A ASN 483.A ND2 SER 530.A OG no hydrogen 3.013 N/A TYR 484.A N GLU 526.A OE2 no hydrogen 3.072 N/A LEU 485.A N GLU 526.A OE1 no hydrogen 2.737 N/A GLY 487.A N ASN 483.A O no hydrogen 2.860 N/A THR 488.A N TYR 484.A O no hydrogen 2.805 N/A THR 488.A OG1 TRP 476.A O no hydrogen 3.309 N/A THR 488.A OG1 TYR 484.A O no hydrogen 2.539 N/A GLY 489.A N LEU 485.A O no hydrogen 2.981 N/A ALA 490.A N TYR 486.A O no hydrogen 3.092 N/A VAL 491.A N GLY 487.A O no hydrogen 2.884 N/A VAL 492.A N THR 488.A O no hydrogen 3.126 N/A SER 493.A N GLY 489.A O no hydrogen 3.204 N/A SER 493.A OG MET 552.A O no hydrogen 3.290 N/A ALA 494.A N ALA 490.A O no hydrogen 3.089 N/A LEU 495.A N VAL 491.A O no hydrogen 2.909 N/A LYS 496.A N VAL 492.A O no hydrogen 3.039 N/A ALA 497.A N SER 493.A O no hydrogen 2.914 N/A VAL 498.A N ALA 494.A O no hydrogen 2.974 N/A GLY 499.A N LYS 496.A O no hydrogen 3.283 N/A ILE 500.A N LEU 495.A O no hydrogen 3.085 N/A ARG 503.A NH1 ASP 501.A OD1 no hydrogen 3.082 N/A GLN 508.A N GLU 504.A O no hydrogen 2.996 N/A GLN 508.A NE2 THR 502.A O no hydrogen 2.764 N/A LYS 509.A N PRO 505.A O no hydrogen 3.061 N/A LYS 509.A NZ PRO 472.A O no hydrogen 2.578 N/A ALA 510.A N TYR 506.A O no hydrogen 3.217 N/A LEU 511.A N ILE 507.A O no hydrogen 2.984 N/A ASP 512.A N GLN 508.A O no hydrogen 3.035 N/A TRP 513.A N LYS 509.A O no hydrogen 3.233 N/A VAL 514.A N ALA 510.A O no hydrogen 3.176 N/A GLU 515.A N LEU 511.A O no hydrogen 2.954 N/A GLN 516.A N ASP 512.A O no hydrogen 2.807 N/A HIS 517.A N TRP 513.A O no hydrogen 3.135 N/A HIS 517.A N VAL 514.A O no hydrogen 3.051 N/A GLN 518.A NE2 GLY 522.A O no hydrogen 2.621 N/A GLN 518.A NE2 ALA 564.A O no hydrogen 2.707 N/A ASN 519.A N GLY 523.A O no hydrogen 2.810 N/A ASN 519.A ND2 GLY 540.A O no hydrogen 3.341 N/A ASN 519.A ND2 SER 542.A OG no hydrogen 2.570 N/A GLY 522.A N ASN 519.A O no hydrogen 3.008 N/A GLY 523.A N ASP 521.A OD1 no hydrogen 2.981 N/A TRP 524.A N THR 547.A OG1 no hydrogen 2.913 N/A TRP 524.A NE1 VAL 514.A O no hydrogen 2.750 N/A GLU 526.A N GLN 546.A OE1 no hydrogen 2.967 N/A ASP 527.A N LYS 539.A O no hydrogen 2.928 N/A CYS 528.A SG TYR 587.A O no hydrogen 3.781 N/A ARG 529.A N ASP 527.A OD1 no hydrogen 3.156 N/A ARG 529.A NH1 GLY 74.A O no hydrogen 2.916 N/A ARG 529.A NH1 ASP 527.A OD1 no hydrogen 2.853 N/A ARG 529.A NH2 GLY 74.A O no hydrogen 2.944 N/A SER 530.A N ASP 527.A O no hydrogen 3.045 N/A SER 530.A OG GLU 526.A OE2 no hydrogen 2.963 N/A TYR 531.A N CYS 528.A O no hydrogen 3.333 N/A TYR 531.A OH GLY 478.A O no hydrogen 2.641 N/A TYR 531.A OH THR 590.A OG1 no hydrogen 2.509 N/A GLU 532.A N ARG 529.A O no hydrogen 3.080 N/A ALA 535.A N ASP 533.A OD1 no hydrogen 3.201 N/A TYR 536.A N ASP 533.A O no hydrogen 3.096 N/A ALA 537.A N PRO 534.A O no hydrogen 2.986 N/A GLY 538.A N GLU 526.A OE2 no hydrogen 2.879 N/A LYS 539.A N TYR 536.A O no hydrogen 2.943 N/A LYS 539.A NZ ALA 535.A O no hydrogen 3.102 N/A SER 542.A OG ASP 521.A OD1 no hydrogen 2.755 N/A SER 542.A OG ASP 521.A OD2 no hydrogen 3.145 N/A THR 543.A N TRP 524.A O no hydrogen 3.216 N/A THR 543.A OG1 GLN 546.A OE1 no hydrogen 2.653 N/A SER 545.A N GLU 584.A OE2 no hydrogen 3.073 N/A SER 545.A OG GLU 584.A OE1 no hydrogen 3.404 N/A SER 545.A OG GLU 584.A OE2 no hydrogen 2.715 N/A SER 545.A OG THR 588.A OG1 no hydrogen 2.987 N/A GLN 546.A N THR 543.A OG1 no hydrogen 3.274 N/A GLN 546.A NE2 VAL 482.A O no hydrogen 2.973 N/A GLN 546.A NE2 GLU 526.A O no hydrogen 2.682 N/A THR 547.A N THR 543.A O no hydrogen 3.278 N/A THR 547.A OG1 TRP 524.A O no hydrogen 3.199 N/A THR 547.A OG1 THR 543.A O no hydrogen 2.832 N/A ALA 548.A N PRO 544.A O no hydrogen 3.153 N/A TRP 549.A N SER 545.A O no hydrogen 3.198 N/A ALA 550.A N GLN 546.A O no hydrogen 3.112 N/A LEU 551.A N THR 547.A O no hydrogen 2.869 N/A MET 552.A N ALA 548.A O no hydrogen 2.937 N/A ALA 553.A N TRP 549.A O no hydrogen 3.183 N/A ALA 553.A N ALA 550.A O no hydrogen 3.182 N/A LEU 554.A N ALA 550.A O no hydrogen 3.069 N/A ILE 555.A N LEU 551.A O no hydrogen 2.973 N/A ALA 556.A N MET 552.A O no hydrogen 3.231 N/A GLY 557.A N ALA 553.A O no hydrogen 3.189 N/A GLY 557.A N LEU 554.A O no hydrogen 3.251 N/A GLY 558.A N ILE 555.A O no hydrogen 3.076 N/A ARG 559.A N LEU 554.A O no hydrogen 2.845 N/A ARG 559.A NH1 ASP 512.A OD2 no hydrogen 3.146 N/A ARG 559.A NH1 GLU 515.A OE2 no hydrogen 2.958 N/A ARG 559.A NH2 GLN 508.A OE1 no hydrogen 3.251 N/A ARG 559.A NH2 ASP 512.A OD2 no hydrogen 3.220 N/A SER 562.A N ARG 559.A O no hydrogen 3.298 N/A SER 562.A OG ARG 559.A O no hydrogen 2.249 N/A ALA 565.A N SER 562.A OG no hydrogen 3.341 N/A ARG 566.A N SER 562.A O no hydrogen 3.147 N/A ARG 567.A N GLU 563.A O no hydrogen 2.853 N/A ARG 567.A NH2 ASN 519.A O no hydrogen 3.150 N/A ARG 567.A NH2 PRO 520.A O no hydrogen 3.035 N/A GLY 568.A N ALA 564.A O no hydrogen 3.021 N/A VAL 569.A N ALA 565.A O no hydrogen 2.876 N/A GLN 570.A N ARG 566.A O no hydrogen 3.165 N/A GLN 570.A NE2 GLU 574.A OE2 no hydrogen 2.571 N/A TYR 571.A N ARG 567.A O no hydrogen 3.032 N/A LEU 572.A N GLY 568.A O no hydrogen 3.116 N/A VAL 573.A N VAL 569.A O no hydrogen 2.885 N/A GLU 574.A N GLN 570.A O no hydrogen 2.889 N/A THR 575.A N TYR 571.A O no hydrogen 3.053 N/A THR 575.A OG1 TYR 571.A O no hydrogen 2.643 N/A GLN 576.A N LEU 572.A O no hydrogen 3.229 N/A GLN 576.A NE2 THR 5.A O no hydrogen 3.032 N/A GLN 576.A NE2 GLY 580.A O no hydrogen 3.055 N/A ARG 577.A N GLY 581.A O no hydrogen 2.683 N/A ARG 577.A NE ASP 579.A OD1 no hydrogen 3.105 N/A ARG 577.A NH1 ASP 583.A OD1 no hydrogen 2.966 N/A ARG 577.A NH2 ASP 579.A OD2 no hydrogen 3.126 N/A GLY 580.A N ARG 577.A O no hydrogen 3.079 N/A GLY 581.A N ASP 579.A OD1 no hydrogen 2.994 N/A TRP 582.A NE1 LEU 572.A O no hydrogen 2.880 N/A TYR 587.A OH SER 29.A O no hydrogen 2.558 N/A THR 588.A OG1 SER 545.A OG no hydrogen 2.987 N/A GLY 589.A N LEU 598.A O no hydrogen 2.770 N/A THR 590.A N TRP 480.A O no hydrogen 3.292 N/A THR 590.A OG1 TYR 531.A OH no hydrogen 2.509 N/A GLY 591.A N PHE 596.A O no hydrogen 2.825 N/A PHE 592.A N PHE 596.A O no hydrogen 2.909 N/A GLY 594.A N TYR 597.A OH no hydrogen 2.871 N/A ASP 595.A N PHE 592.A O no hydrogen 3.194 N/A PHE 596.A N PHE 592.A O no hydrogen 3.214 N/A LEU 598.A N GLY 589.A O no hydrogen 3.060 N/A GLY 599.A N LEU 28.A O no hydrogen 2.955 N/A THR 601.A N PRO 26.A O no hydrogen 3.482 N/A THR 601.A OG1 PRO 26.A O no hydrogen 2.674 N/A TYR 603.A N TYR 600.A O no hydrogen 3.009 N/A HIS 605.A N MET 602.A O no hydrogen 3.067 N/A VAL 606.A N MET 602.A O no hydrogen 3.002 N/A PHE 607.A N TYR 603.A O no hydrogen 3.111 N/A THR 609.A N HIS 605.A O no hydrogen 3.329 N/A THR 609.A OG1 HIS 605.A O no hydrogen 2.725 N/A LEU 610.A N VAL 606.A O no hydrogen 2.895 N/A ALA 611.A N PHE 607.A O no hydrogen 2.834 N/A LEU 612.A N PRO 608.A O no hydrogen 2.892 N/A GLY 613.A N THR 609.A O no hydrogen 3.000 N/A ARG 614.A N LEU 610.A O no hydrogen 3.009 N/A TYR 615.A N ALA 611.A O no hydrogen 3.010 N/A LYS 616.A N LEU 612.A O no hydrogen 3.007 N/A LYS 616.A NZ ALA 315.A O no hydrogen 2.494 N/A GLN 617.A N GLY 613.A O no hydrogen 3.071 N/A ALA 618.A N ARG 614.A O no hydrogen 3.121 N/A ILE 619.A N TYR 615.A O no hydrogen 3.256 N/A