Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1o6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N TYR 2.A O no hydrogen 3.028 N/A ASP 7.A N ALA 3.A O no hydrogen 2.931 N/A ARG 8.A N ARG 4.A O no hydrogen 2.764 N/A ALA 9.A N THR 5.A O no hydrogen 2.774 N/A VAL 10.A N LEU 6.A O no hydrogen 2.699 N/A GLU 11.A N ASP 7.A O no hydrogen 3.138 N/A TYR 12.A N ARG 8.A O no hydrogen 3.165 N/A LEU 13.A N ALA 9.A O no hydrogen 3.014 N/A LEU 14.A N VAL 10.A O no hydrogen 2.983 N/A SER 15.A N TYR 12.A O no hydrogen 3.034 N/A SER 15.A OG GLU 11.A O no hydrogen 3.485 N/A SER 15.A OG TYR 12.A O no hydrogen 2.387 N/A CYS 16.A N TYR 12.A O no hydrogen 3.209 N/A CYS 16.A N LEU 13.A O no hydrogen 2.705 N/A CYS 16.A SG TYR 12.A O no hydrogen 3.789 N/A GLN 17.A N LEU 13.A O no hydrogen 3.275 N/A GLN 17.A NE2 GLY 21.A O no hydrogen 2.645 N/A GLN 17.A NE2 ARG 323.A O no hydrogen 3.296 N/A LYS 18.A N TYR 22.A O no hydrogen 2.878 N/A GLY 21.A N LYS 18.A O no hydrogen 3.265 N/A TRP 23.A N THR 305.A OG1 no hydrogen 2.893 N/A TRP 23.A NE1 LEU 13.A O no hydrogen 3.035 N/A GLY 25.A N ASP 304.A OD2 no hydrogen 2.949 N/A LEU 27.A N GLN 296.A OE1 no hydrogen 2.818 N/A LEU 28.A N GLY 599.A O no hydrogen 3.005 N/A THR 32.A N ASN 30.A OD1 no hydrogen 2.631 N/A THR 32.A OG1 ASN 30.A OD1 no hydrogen 2.476 N/A MET 33.A N ASN 30.A O no hydrogen 3.522 N/A ALA 35.A N VAL 31.A O no hydrogen 2.825 N/A GLU 36.A N THR 32.A O no hydrogen 2.827 N/A TYR 37.A N MET 33.A O no hydrogen 2.989 N/A VAL 38.A N GLU 34.A O no hydrogen 3.077 N/A LEU 39.A N ALA 35.A O no hydrogen 3.289 N/A LEU 40.A N GLU 36.A O no hydrogen 2.738 N/A CYS 41.A N TYR 37.A O no hydrogen 2.819 N/A CYS 41.A SG TYR 37.A O no hydrogen 3.553 N/A CYS 41.A SG ARG 46.A O no hydrogen 3.728 N/A HIS 42.A N VAL 38.A O no hydrogen 3.149 N/A HIS 42.A NE2 PHE 178.A O no hydrogen 3.295 N/A HIS 42.A NE2 PRO 179.A O no hydrogen 2.913 N/A ILE 43.A N LEU 39.A O no hydrogen 3.005 N/A LEU 44.A N LEU 40.A O no hydrogen 2.937 N/A ASP 45.A N HIS 42.A O no hydrogen 2.994 N/A ARG 46.A N CYS 41.A O no hydrogen 2.809 N/A ARG 49.A NH1 ILE 92.A O no hydrogen 3.184 N/A ARG 51.A N ASP 48.A OD2 no hydrogen 3.107 N/A ARG 51.A NH1 GLU 282.A OE2 no hydrogen 3.431 N/A ARG 51.A NH2 GLU 282.A OE1 no hydrogen 3.032 N/A ARG 51.A NH2 GLU 282.A OE2 no hydrogen 2.914 N/A MET 52.A N ASP 48.A O no hydrogen 2.979 N/A GLU 53.A N ARG 49.A O no hydrogen 3.184 N/A LYS 54.A N ASP 50.A O no hydrogen 3.274 N/A LYS 54.A NZ GLU 287.A OE1 no hydrogen 2.713 N/A LYS 54.A NZ GLY 291.A O no hydrogen 3.439 N/A ILE 55.A N ARG 51.A O no hydrogen 2.942 N/A ARG 56.A N MET 52.A O no hydrogen 2.847 N/A ARG 56.A NH2 GLU 53.A OE1 no hydrogen 3.242 N/A ARG 57.A N GLU 53.A O no hydrogen 3.107 N/A TYR 58.A N LYS 54.A O no hydrogen 3.410 N/A TYR 58.A OH GLU 34.A OE1 no hydrogen 3.322 N/A LEU 59.A N ILE 55.A O no hydrogen 2.836 N/A LEU 60.A N ARG 56.A O no hydrogen 2.869 N/A HIS 61.A N ARG 57.A O no hydrogen 2.685 N/A GLU 62.A N TYR 58.A O no hydrogen 2.961 N/A GLU 62.A N LEU 59.A O no hydrogen 3.167 N/A GLN 63.A N LEU 59.A O no hydrogen 3.166 N/A GLN 63.A N LEU 60.A O no hydrogen 2.632 N/A GLN 63.A NE2 PRO 100.A O no hydrogen 3.330 N/A ARG 64.A N THR 68.A O no hydrogen 2.839 N/A ARG 64.A NE THR 68.A O no hydrogen 2.770 N/A ARG 64.A NE THR 68.A OG1 no hydrogen 3.246 N/A ARG 64.A NH1 GLY 75.A O no hydrogen 2.880 N/A ARG 64.A NH2 THR 68.A OG1 no hydrogen 2.993 N/A ARG 64.A NH2 GLY 75.A O no hydrogen 3.172 N/A GLY 67.A N ARG 64.A O no hydrogen 2.637 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.385 N/A TRP 69.A N THR 82.A OG1 no hydrogen 3.209 N/A TRP 69.A NE1 LEU 59.A O no hydrogen 2.758 N/A ASP 78.A N TRP 69.A O no hydrogen 2.992 N/A THR 81.A N ASP 78.A OD1 no hydrogen 2.982 N/A THR 81.A OG1 ASP 78.A OD1 no hydrogen 3.003 N/A THR 82.A N ASP 78.A O no hydrogen 3.107 N/A THR 82.A OG1 TRP 69.A O no hydrogen 3.309 N/A THR 82.A OG1 ASP 78.A O no hydrogen 2.579 N/A ILE 83.A N LEU 79.A O no hydrogen 2.646 N/A GLU 84.A N ASP 80.A O no hydrogen 2.939 N/A ALA 85.A N THR 81.A O no hydrogen 2.939 N/A TYR 86.A N THR 82.A O no hydrogen 2.829 N/A TYR 86.A OH GLU 188.A OE2 no hydrogen 2.758 N/A VAL 87.A N ILE 83.A O no hydrogen 3.037 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 3.009 N/A LYS 90.A N TYR 86.A O no hydrogen 2.975 N/A LYS 90.A NZ ARG 185.A O no hydrogen 3.278 N/A LYS 90.A NZ GLU 188.A OE1 no hydrogen 3.169 N/A LYS 90.A NZ GLU 188.A OE2 no hydrogen 2.368 N/A TYR 91.A N VAL 87.A O no hydrogen 3.030 N/A TYR 91.A OH HIS 42.A ND1 no hydrogen 3.218 N/A ILE 92.A N ALA 88.A O no hydrogen 2.977 N/A GLY 93.A N LEU 89.A O no hydrogen 2.972 N/A MET 94.A N LEU 89.A O no hydrogen 3.246 N/A SER 95.A OG GLU 98.A OE2 no hydrogen 3.298 N/A GLN 102.A N GLU 98.A O no hydrogen 3.012 N/A GLN 102.A NE2 ARG 96.A O no hydrogen 2.730 N/A LYS 103.A N GLU 99.A O no hydrogen 3.011 N/A LYS 103.A NZ GLU 65.A O no hydrogen 2.981 N/A ALA 104.A N PRO 100.A O no hydrogen 3.202 N/A LEU 105.A N MET 101.A O no hydrogen 2.899 N/A ARG 106.A N GLN 102.A O no hydrogen 3.062 N/A PHE 107.A N LYS 103.A O no hydrogen 3.081 N/A ILE 108.A N ALA 104.A O no hydrogen 2.898 N/A GLN 109.A N LEU 105.A O no hydrogen 2.904 N/A GLN 109.A NE2 GLU 188.A O no hydrogen 3.578 N/A SER 110.A N ARG 106.A O no hydrogen 2.930 N/A SER 110.A OG ARG 106.A O no hydrogen 3.352 N/A SER 110.A OG PHE 107.A O no hydrogen 2.662 N/A GLN 111.A N ILE 108.A O no hydrogen 3.042 N/A GLY 112.A N GLN 109.A O no hydrogen 2.990 N/A GLY 113.A N ILE 108.A O no hydrogen 3.205 N/A ILE 114.A N LEU 189.A O no hydrogen 3.068 N/A SER 116.A N GLY 113.A O no hydrogen 3.256 N/A SER 116.A OG GLN 111.A O no hydrogen 2.874 N/A SER 117.A N ILE 114.A O no hydrogen 3.127 N/A SER 117.A OG ILE 114.A O no hydrogen 2.516 N/A ARG 118.A N ASP 80.A OD1 no hydrogen 2.760 N/A ARG 118.A NE THR 121.A OG1 no hydrogen 2.924 N/A ARG 118.A NH2 GLU 84.A OE1 no hydrogen 3.470 N/A ARG 118.A NH2 GLU 84.A OE2 no hydrogen 2.737 N/A VAL 119.A N ASP 427.A OD1 no hydrogen 3.446 N/A VAL 119.A N ASP 427.A OD2 no hydrogen 2.940 N/A THR 121.A OG1 GLU 84.A OE2 no hydrogen 2.653 N/A ARG 122.A N ARG 118.A O no hydrogen 3.228 N/A ARG 122.A NE SER 117.A O no hydrogen 2.862 N/A ARG 122.A NH1 TYR 131.A OH no hydrogen 3.485 N/A ARG 122.A NH2 SER 117.A O no hydrogen 3.248 N/A MET 123.A N VAL 119.A O no hydrogen 2.705 N/A TRP 124.A N PHE 120.A O no hydrogen 2.755 N/A TRP 124.A NE1 TYR 258.A OH no hydrogen 3.170 N/A LEU 125.A N THR 121.A O no hydrogen 3.148 N/A ALA 126.A N ARG 122.A O no hydrogen 2.778 N/A LEU 127.A N MET 123.A O no hydrogen 2.832 N/A VAL 128.A N TRP 124.A O no hydrogen 3.309 N/A VAL 128.A N LEU 125.A O no hydrogen 3.254 N/A GLY 129.A N ALA 126.A O no hydrogen 2.943 N/A GLU 130.A N LEU 125.A O no hydrogen 2.725 N/A TYR 131.A OH GLU 115.A OE1 no hydrogen 3.385 N/A TRP 133.A NE1 PRO 176.A O no hydrogen 3.034 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.397 N/A LYS 135.A N PRO 132.A O no hydrogen 3.347 N/A LYS 135.A NZ GLU 115.A OE2 no hydrogen 2.516 N/A VAL 136.A N TRP 133.A O no hydrogen 2.923 N/A MET 138.A N ASP 213.A OD1 no hydrogen 2.946 N/A ILE 143.A N PRO 140.A O no hydrogen 3.010 N/A MET 144.A N PRO 141.A O no hydrogen 2.732 N/A PHE 145.A N GLU 142.A O no hydrogen 2.823 N/A LEU 146.A N ILE 143.A O no hydrogen 3.437 N/A ARG 149.A NE ARG 149.A O no hydrogen 3.467 N/A LEU 152.A N GLU 156.A OE1 no hydrogen 2.661 N/A ASN 153.A N MET 150.A O no hydrogen 3.225 N/A ASN 153.A ND2 MET 150.A O no hydrogen 3.244 N/A TYR 155.A N ASN 153.A OD1 no hydrogen 2.585 N/A GLU 156.A N ASN 153.A O no hydrogen 2.870 N/A PHE 157.A N ILE 154.A O no hydrogen 3.458 N/A GLY 158.A N VAL 431.A O no hydrogen 2.643 N/A TRP 160.A NE1 GLU 430.A O no hydrogen 2.991 N/A ALA 161.A N GLY 158.A O no hydrogen 2.894 N/A ARG 162.A N GLY 158.A O no hydrogen 2.794 N/A ARG 162.A NE ILE 154.A O no hydrogen 3.079 N/A ARG 162.A NH1 ASP 341.A OD2 no hydrogen 3.112 N/A ARG 162.A NH2 PHE 157.A O no hydrogen 2.840 N/A ARG 162.A NH2 ASP 412.A OD2 no hydrogen 2.917 N/A THR 164.A OG1 TRP 160.A O no hydrogen 3.148 N/A VAL 165.A N ALA 161.A O no hydrogen 2.905 N/A VAL 166.A N ARG 162.A O no hydrogen 3.049 N/A ALA 167.A N ALA 163.A O no hydrogen 2.939 N/A LEU 168.A N THR 164.A O no hydrogen 2.782 N/A SER 169.A N VAL 165.A O no hydrogen 2.913 N/A SER 169.A OG VAL 166.A O no hydrogen 2.773 N/A VAL 171.A N ALA 167.A O no hydrogen 3.420 N/A MET 172.A N LEU 168.A O no hydrogen 2.625 N/A SER 173.A N SER 169.A O no hydrogen 2.960 N/A SER 173.A OG GLU 232.A OE2 no hydrogen 2.652 N/A ARG 174.A N ILE 170.A O no hydrogen 3.328 N/A ARG 174.A N VAL 171.A O no hydrogen 3.047 N/A ARG 174.A NE GLU 232.A OE1 no hydrogen 3.459 N/A ARG 174.A NE GLU 232.A OE2 no hydrogen 2.945 N/A ARG 174.A NH2 GLU 232.A OE1 no hydrogen 3.153 N/A GLN 175.A N VAL 171.A O no hydrogen 2.731 N/A PHE 178.A N LEU 127.A O no hydrogen 2.649 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.793 N/A ARG 183.A NH1 LYS 90.A O no hydrogen 2.625 N/A ARG 183.A NH2 LYS 90.A O no hydrogen 2.823 N/A ALA 184.A N PRO 181.A O no hydrogen 2.944 N/A ARG 185.A N GLU 182.A O no hydrogen 3.055 N/A ARG 185.A NE GLU 130.A OE2 no hydrogen 2.999 N/A VAL 186.A N GLU 130.A OE1 no hydrogen 2.933 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.928 N/A LEU 189.A N VAL 186.A O no hydrogen 2.882 N/A TYR 190.A N PRO 187.A O no hydrogen 2.791 N/A TYR 190.A OH GLU 130.A O no hydrogen 2.675 N/A THR 192.A OG1 GLU 191.A O no hydrogen 2.849 N/A ASP 193.A N ASP 193.A OD1 no hydrogen 2.480 N/A ARG 197.A N SER 116.A OG no hydrogen 3.115 N/A ARG 198.A NH1 GLU 115.A OE1 no hydrogen 3.199 N/A ARG 198.A NH2 GLU 115.A OE1 no hydrogen 3.221 N/A LYS 202.A N CYS 426.A O no hydrogen 3.017 N/A LYS 202.A NZ ASP 595.A OD2 no hydrogen 2.971 N/A GLY 203.A N ASN 421.A O no hydrogen 2.915 N/A GLY 204.A N ALA 201.A O no hydrogen 3.238 N/A ASP 210.A N GLY 206.A O no hydrogen 3.494 N/A ALA 211.A N TRP 207.A O no hydrogen 3.008 N/A LEU 212.A N ILE 208.A O no hydrogen 2.840 N/A ASP 213.A N PHE 209.A O no hydrogen 3.004 N/A ARG 214.A N ASP 210.A O no hydrogen 3.376 N/A ALA 215.A N ALA 211.A O no hydrogen 2.739 N/A LEU 216.A N LEU 212.A O no hydrogen 2.784 N/A HIS 217.A N ASP 213.A O no hydrogen 2.824 N/A GLY 218.A N ARG 214.A O no hydrogen 3.092 N/A GLY 218.A N ALA 215.A O no hydrogen 2.856 N/A TYR 219.A N ALA 215.A O no hydrogen 2.907 N/A GLN 220.A N LEU 216.A O no hydrogen 2.750 N/A GLN 220.A NE2 SER 173.A O no hydrogen 3.169 N/A LYS 221.A N GLY 218.A O no hydrogen 2.684 N/A LEU 222.A N TYR 219.A O no hydrogen 3.083 N/A ARG 228.A N HIS 225.A O no hydrogen 3.060 N/A ARG 228.A NE GLU 142.A OE2 no hydrogen 2.712 N/A ARG 228.A NH1 GLN 220.A OE1 no hydrogen 2.965 N/A ARG 228.A NH2 GLU 142.A OE1 no hydrogen 2.606 N/A ARG 228.A NH2 GLU 142.A OE2 no hydrogen 3.123 N/A ALA 231.A N PHE 227.A O no hydrogen 2.922 N/A GLU 232.A N ARG 228.A O no hydrogen 2.904 N/A ILE 233.A N ARG 229.A O no hydrogen 3.216 N/A ARG 234.A N ALA 230.A O no hydrogen 2.796 N/A ALA 235.A N ALA 231.A O no hydrogen 3.105 N/A LEU 236.A N GLU 232.A O no hydrogen 2.728 N/A ASP 237.A N ILE 233.A O no hydrogen 2.942 N/A TRP 238.A N ARG 234.A O no hydrogen 2.977 N/A TRP 238.A NE1 TYR 155.A OH no hydrogen 3.164 N/A LEU 239.A N ALA 235.A O no hydrogen 2.947 N/A LEU 240.A N LEU 236.A O no hydrogen 2.817 N/A GLU 241.A N ASP 237.A O no hydrogen 2.881 N/A ARG 242.A N LEU 239.A O no hydrogen 2.980 N/A ARG 242.A NE TRP 238.A O no hydrogen 2.938 N/A ARG 242.A NH1 ASP 341.A OD1 no hydrogen 2.681 N/A GLN 243.A NE2 GLY 247.A O no hydrogen 3.140 N/A GLN 243.A NE2 ALA 273.A O no hydrogen 2.780 N/A ALA 244.A N SER 248.A O no hydrogen 2.953 N/A GLY 247.A N ALA 244.A O no hydrogen 3.007 N/A SER 248.A N ASP 246.A OD1 no hydrogen 2.912 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 2.525 N/A TRP 249.A NE1 LEU 239.A O no hydrogen 3.007 N/A GLN 253.A N ALA 297.A O no hydrogen 2.920 N/A GLN 253.A NE2 GLU 36.A OE1 no hydrogen 3.332 N/A TRP 256.A NE1 GLY 277.A O no hydrogen 2.984 N/A PHE 257.A N GLN 253.A O no hydrogen 2.966 N/A TYR 258.A N PRO 254.A O no hydrogen 2.880 N/A ALA 259.A N PRO 255.A O no hydrogen 2.590 N/A LEU 260.A N TRP 256.A O no hydrogen 3.100 N/A ILE 261.A N PHE 257.A O no hydrogen 3.060 N/A ALA 262.A N TYR 258.A O no hydrogen 2.816 N/A LEU 263.A N ALA 259.A O no hydrogen 2.951 N/A LYS 264.A N LEU 260.A O no hydrogen 3.097 N/A LYS 264.A NZ ILE 43.A O no hydrogen 3.295 N/A ILE 265.A N ILE 261.A O no hydrogen 2.915 N/A LEU 266.A N ALA 262.A O no hydrogen 3.162 N/A ASP 267.A N LYS 264.A O no hydrogen 3.068 N/A MET 268.A N LEU 263.A O no hydrogen 3.007 N/A HIS 271.A N MET 268.A O no hydrogen 3.399 N/A ALA 273.A N HIS 271.A ND1 no hydrogen 2.832 N/A PHE 274.A N HIS 271.A O no hydrogen 3.197 N/A ILE 275.A N HIS 271.A O no hydrogen 3.208 N/A LYS 276.A N PRO 272.A O no hydrogen 2.838 N/A LYS 276.A NZ GLY 245.A O no hydrogen 3.011 N/A GLY 277.A N ALA 273.A O no hydrogen 2.853 N/A TRP 278.A N PHE 274.A O no hydrogen 2.675 N/A GLU 279.A N ILE 275.A O no hydrogen 2.973 N/A GLY 280.A N LYS 276.A O no hydrogen 2.934 N/A LEU 281.A N TRP 278.A O no hydrogen 3.366 N/A LEU 283.A N GLY 280.A O no hydrogen 3.071 N/A TYR 284.A N LEU 281.A O no hydrogen 2.818 N/A TYR 284.A OH ASP 246.A OD2 no hydrogen 2.941 N/A GLY 285.A N GLU 282.A O no hydrogen 2.996 N/A VAL 286.A N MET 294.A O no hydrogen 2.831 N/A LEU 288.A N GLY 292.A O no hydrogen 2.848 N/A GLY 291.A N LEU 288.A O no hydrogen 2.942 N/A TRP 293.A N LYS 54.A O no hydrogen 2.890 N/A MET 294.A N VAL 286.A O no hydrogen 3.120 N/A PHE 295.A N GLU 34.A OE2 no hydrogen 2.918 N/A GLN 296.A N TYR 284.A O no hydrogen 3.035 N/A GLN 296.A NE2 TYR 284.A O no hydrogen 3.522 N/A SER 298.A OG GLY 251.A O no hydrogen 2.913 N/A SER 300.A OG ASP 304.A OD2 no hydrogen 2.569 N/A VAL 302.A N PHE 356.A O no hydrogen 3.244 N/A TRP 303.A NE1 TYR 603.A OH no hydrogen 3.242 N/A ASP 304.A N SER 300.A O no hydrogen 2.775 N/A THR 305.A N PRO 301.A O no hydrogen 2.859 N/A THR 305.A OG1 TRP 23.A O no hydrogen 3.289 N/A THR 305.A OG1 PRO 301.A O no hydrogen 2.954 N/A GLY 306.A N VAL 302.A O no hydrogen 2.730 N/A LEU 307.A N TRP 303.A O no hydrogen 3.041 N/A ALA 308.A N ASP 304.A O no hydrogen 2.834 N/A VAL 309.A N THR 305.A O no hydrogen 2.993 N/A LEU 310.A N GLY 306.A O no hydrogen 3.281 N/A ALA 311.A N LEU 307.A O no hydrogen 2.849 N/A LEU 312.A N ALA 308.A O no hydrogen 2.940 N/A ARG 313.A N VAL 309.A O no hydrogen 2.851 N/A ARG 313.A NE THR 378.A O no hydrogen 2.992 N/A ARG 313.A NH2 THR 378.A O no hydrogen 3.297 N/A ALA 314.A N LEU 310.A O no hydrogen 2.862 N/A ALA 315.A N ALA 311.A O no hydrogen 2.810 N/A GLY 316.A N LEU 312.A O no hydrogen 3.160 N/A LEU 317.A N LEU 312.A O no hydrogen 3.204 N/A HIS 321.A N PRO 318.A O no hydrogen 2.748 N/A ARG 323.A N HIS 321.A ND1 no hydrogen 2.908 N/A ARG 323.A NH1 LEU 14.A O no hydrogen 3.115 N/A LEU 324.A N HIS 321.A O no hydrogen 2.711 N/A VAL 325.A N HIS 321.A O no hydrogen 2.887 N/A LYS 326.A N ASP 322.A O no hydrogen 3.430 N/A GLY 328.A N LEU 324.A O no hydrogen 2.774 N/A GLU 329.A N VAL 325.A O no hydrogen 2.831 N/A TRP 330.A N LYS 326.A O no hydrogen 3.141 N/A LEU 331.A N ALA 327.A O no hydrogen 2.769 N/A LEU 332.A N GLY 328.A O no hydrogen 3.074 N/A ASP 333.A N GLU 329.A O no hydrogen 3.280 N/A ARG 334.A N LEU 331.A O no hydrogen 2.912 N/A GLN 335.A N LEU 332.A O no hydrogen 3.286 N/A GLN 335.A NE2 GLY 352.A O no hydrogen 2.645 N/A GLN 335.A NE2 ALA 390.A O no hydrogen 3.211 N/A ILE 336.A N GLY 353.A O no hydrogen 3.050 N/A ASP 341.A N TYR 362.A O no hydrogen 3.426 N/A ALA 343.A N GLY 340.A O no hydrogen 2.826 N/A VAL 344.A N ASP 341.A O no hydrogen 3.273 N/A LYS 345.A N TRP 342.A O no hydrogen 3.009 N/A LYS 345.A NZ VAL 413.A O no hydrogen 3.392 N/A ARG 346.A N ALA 343.A O no hydrogen 2.989 N/A ARG 346.A NE GLY 400.A O no hydrogen 2.830 N/A ARG 346.A NH1 LYS 345.A O no hydrogen 2.677 N/A LEU 349.A N ARG 346.A O no hydrogen 3.166 N/A PHE 354.A N THR 369.A OG1 no hydrogen 2.917 N/A GLN 357.A N GLN 357.A OE1 no hydrogen 2.459 N/A GLN 357.A NE2 GLY 251.A O no hydrogen 3.143 N/A ASN 360.A ND2 GLN 357.A OE1 no hydrogen 3.571 N/A TYR 363.A OH ASP 341.A OD2 no hydrogen 2.683 N/A ASP 365.A N PHE 354.A O no hydrogen 2.799 N/A VAL 366.A N ALA 410.A O no hydrogen 2.789 N/A ASP 368.A N ASP 365.A OD2 no hydrogen 2.677 N/A THR 369.A N ASP 365.A O no hydrogen 3.017 N/A THR 369.A OG1 ASP 365.A O no hydrogen 2.531 N/A ALA 370.A N VAL 366.A O no hydrogen 2.759 N/A VAL 371.A N ASP 367.A O no hydrogen 3.042 N/A VAL 372.A N ASP 368.A O no hydrogen 2.764 N/A VAL 373.A N THR 369.A O no hydrogen 2.976 N/A TRP 374.A N ALA 370.A O no hydrogen 3.074 N/A ALA 375.A N VAL 371.A O no hydrogen 2.859 N/A LEU 376.A N VAL 372.A O no hydrogen 2.912 N/A ASN 377.A N VAL 373.A O no hydrogen 2.903 N/A THR 378.A N ALA 375.A O no hydrogen 3.300 N/A THR 378.A OG1 ALA 375.A O no hydrogen 2.666 N/A LEU 379.A N LEU 376.A O no hydrogen 2.550 N/A ARG 380.A N ALA 319.A O no hydrogen 2.707 N/A LEU 381.A N GLU 384.A OE2 no hydrogen 3.364 N/A GLU 384.A N PRO 382.A O no hydrogen 3.101 N/A ARG 386.A N ASP 383.A OD2 no hydrogen 3.000 N/A ARG 386.A NH1 ASP 333.A OD1 no hydrogen 3.055 N/A ARG 386.A NH2 ASP 333.A OD1 no hydrogen 3.320 N/A ARG 387.A N ASP 383.A O no hydrogen 3.326 N/A ARG 387.A NE GLU 384.A OE1 no hydrogen 3.171 N/A ARG 387.A NE GLU 384.A OE2 no hydrogen 2.515 N/A ARG 387.A NH2 GLU 384.A OE1 no hydrogen 3.244 N/A ARG 388.A N GLU 384.A O no hydrogen 3.206 N/A ASP 389.A N ARG 385.A O no hydrogen 2.934 N/A ALA 390.A N ARG 386.A O no hydrogen 2.605 N/A MET 391.A N ARG 387.A O no hydrogen 3.096 N/A THR 392.A N ARG 388.A O no hydrogen 3.189 N/A THR 392.A OG1 ARG 388.A O no hydrogen 2.778 N/A LYS 393.A N ASP 389.A O no hydrogen 3.003 N/A GLY 394.A N ALA 390.A O no hydrogen 3.002 N/A PHE 395.A N MET 391.A O no hydrogen 2.677 N/A ARG 396.A N THR 392.A O no hydrogen 2.931 N/A TRP 397.A N LYS 393.A O no hydrogen 2.923 N/A ILE 398.A N GLY 394.A O no hydrogen 2.831 N/A VAL 399.A N PHE 395.A O no hydrogen 2.964 N/A GLY 400.A N ARG 396.A O no hydrogen 2.894 N/A MET 401.A N ILE 398.A O no hydrogen 2.901 N/A GLN 402.A N VAL 399.A O no hydrogen 3.075 N/A GLN 402.A NE2 GLY 406.A O no hydrogen 2.825 N/A GLN 402.A NE2 VAL 458.A O no hydrogen 3.441 N/A SER 403.A N GLY 407.A O no hydrogen 2.930 N/A SER 404.A N ASP 414.A OD1 no hydrogen 2.681 N/A SER 404.A OG ASP 414.A OD1 no hydrogen 2.815 N/A SER 404.A OG ASP 414.A OD2 no hydrogen 2.603 N/A GLY 406.A N SER 403.A O no hydrogen 3.291 N/A GLY 407.A N ASN 405.A OD1 no hydrogen 2.980 N/A TRP 408.A N THR 440.A OG1 no hydrogen 3.014 N/A TRP 408.A NE1 ILE 398.A O no hydrogen 2.827 N/A ALA 410.A N ASP 433.A OD1 no hydrogen 3.151 N/A ALA 410.A N ASP 433.A OD2 no hydrogen 3.242 N/A TYR 411.A N ASP 433.A OD2 no hydrogen 2.618 N/A ASP 412.A N ASP 433.A OD2 no hydrogen 3.250 N/A ASP 414.A N SER 403.A OG no hydrogen 2.879 N/A ASN 415.A ND2 PHE 157.A O no hydrogen 3.050 N/A THR 416.A OG1 ASP 414.A O no hydrogen 3.550 N/A SER 417.A OG GLU 156.A OE1 no hydrogen 3.518 N/A LEU 419.A N SER 417.A OG no hydrogen 3.174 N/A ASN 421.A N ASP 418.A O no hydrogen 3.212 N/A HIS 422.A N LEU 419.A O no hydrogen 3.115 N/A HIS 422.A ND1 GLY 204.A O no hydrogen 2.861 N/A HIS 422.A NE2 ASP 418.A OD2 no hydrogen 2.708 N/A ILE 423.A N PRO 420.A O no hydrogen 3.360 N/A CYS 426.A N ILE 423.A O no hydrogen 3.204 N/A CYS 426.A SG PRO 420.A O no hydrogen 3.548 N/A ASP 427.A N PHE 425.A O no hydrogen 2.930 N/A GLY 429.A N ASP 595.A OD2 no hydrogen 3.043 N/A ASP 433.A N ASN 415.A OD1 no hydrogen 2.685 N/A SER 436.A N TRP 408.A O no hydrogen 3.015 N/A SER 436.A OG ASP 438.A OD1 no hydrogen 2.692 N/A GLU 437.A N GLU 437.A OE1 no hydrogen 2.459 N/A VAL 439.A N ASP 438.A OD1 no hydrogen 2.797 N/A THR 440.A N SER 436.A O no hydrogen 3.211 N/A THR 440.A OG1 SER 436.A O no hydrogen 2.571 N/A ALA 441.A N GLU 437.A O no hydrogen 2.888 N/A HIS 442.A N ASP 438.A O no hydrogen 2.917 N/A HIS 442.A ND1 ASP 367.A OD1 no hydrogen 2.644 N/A VAL 443.A N VAL 439.A O no hydrogen 2.856 N/A LEU 444.A N THR 440.A O no hydrogen 3.010 N/A GLU 445.A N ALA 441.A O no hydrogen 2.875 N/A CYS 446.A N HIS 442.A O no hydrogen 2.978 N/A CYS 446.A N VAL 443.A O no hydrogen 2.690 N/A CYS 446.A SG ALA 370.A O no hydrogen 3.352 N/A PHE 447.A N VAL 443.A O no hydrogen 2.953 N/A GLY 448.A N LEU 444.A O no hydrogen 2.760 N/A SER 449.A N GLU 445.A O no hydrogen 3.294 N/A SER 449.A N CYS 446.A O no hydrogen 2.935 N/A SER 449.A OG CYS 446.A O no hydrogen 2.519 N/A PHE 450.A N PHE 447.A O no hydrogen 2.670 N/A GLY 451.A N PHE 447.A O no hydrogen 3.236 N/A ALA 455.A N ASP 453.A OD2 no hydrogen 3.303 N/A ARG 460.A N TRP 456.A O no hydrogen 3.411 N/A ARG 460.A NH1 ALA 455.A O no hydrogen 3.463 N/A ARG 460.A NH2 ALA 455.A O no hydrogen 3.320 N/A ARG 461.A N LYS 457.A O no hydrogen 2.931 N/A ARG 461.A NH2 SER 404.A O no hydrogen 2.599 N/A ALA 462.A N VAL 458.A O no hydrogen 3.213 N/A VAL 463.A N ILE 459.A O no hydrogen 2.909 N/A GLU 464.A N ARG 460.A O no hydrogen 2.826 N/A TYR 465.A N ARG 461.A O no hydrogen 3.165 N/A LEU 466.A N ALA 462.A O no hydrogen 2.896 N/A LYS 467.A N VAL 463.A O no hydrogen 2.711 N/A ARG 468.A N GLU 464.A O no hydrogen 3.007 N/A GLU 469.A N TYR 465.A O no hydrogen 3.019 N/A GLU 469.A N LEU 466.A O no hydrogen 2.769 N/A GLN 470.A N LEU 466.A O no hydrogen 2.958 N/A GLN 470.A NE2 GLY 474.A O no hydrogen 2.935 N/A GLN 470.A NE2 TYR 506.A O no hydrogen 3.343 N/A LYS 471.A N SER 475.A O no hydrogen 2.748 N/A GLY 474.A N LYS 471.A O no hydrogen 2.787 N/A SER 475.A OG ASP 473.A OD1 no hydrogen 3.409 N/A SER 475.A OG ASP 473.A OD2 no hydrogen 3.191 N/A TRP 476.A N THR 488.A OG1 no hydrogen 2.918 N/A TRP 476.A NE1 LEU 466.A O no hydrogen 3.155 N/A GLY 478.A N ASN 483.A OD1 no hydrogen 2.910 N/A ARG 479.A NH1 ARG 479.A O no hydrogen 2.885 N/A ARG 479.A NH1 GLY 591.A O no hydrogen 2.978 N/A ARG 479.A NH2 GLY 591.A O no hydrogen 3.440 N/A TRP 480.A N ASP 438.A OD2 no hydrogen 2.829 N/A VAL 482.A N THR 588.A O no hydrogen 2.936 N/A ASN 483.A ND2 SER 530.A OG no hydrogen 3.267 N/A TYR 484.A N GLU 526.A OE2 no hydrogen 3.016 N/A LEU 485.A N GLU 526.A OE1 no hydrogen 2.682 N/A GLY 487.A N ASN 483.A O no hydrogen 2.783 N/A THR 488.A N TYR 484.A O no hydrogen 2.875 N/A THR 488.A OG1 TYR 484.A O no hydrogen 2.719 N/A GLY 489.A N LEU 485.A O no hydrogen 3.144 N/A ALA 490.A N TYR 486.A O no hydrogen 3.046 N/A VAL 491.A N GLY 487.A O no hydrogen 2.832 N/A VAL 492.A N THR 488.A O no hydrogen 3.195 N/A SER 493.A N GLY 489.A O no hydrogen 3.209 N/A SER 493.A OG GLU 445.A OE1 no hydrogen 2.829 N/A SER 493.A OG GLU 445.A OE2 no hydrogen 3.272 N/A ALA 494.A N ALA 490.A O no hydrogen 2.830 N/A LEU 495.A N VAL 491.A O no hydrogen 2.708 N/A LYS 496.A N VAL 492.A O no hydrogen 2.953 N/A LYS 496.A NZ ALA 556.A O no hydrogen 3.512 N/A ALA 497.A N SER 493.A O no hydrogen 3.208 N/A VAL 498.A N ALA 494.A O no hydrogen 3.034 N/A VAL 498.A N LEU 495.A O no hydrogen 3.299 N/A GLU 504.A N ASP 501.A O no hydrogen 3.043 N/A GLN 508.A N GLU 504.A O no hydrogen 3.100 N/A GLN 508.A NE2 THR 502.A O no hydrogen 2.832 N/A LYS 509.A N PRO 505.A O no hydrogen 2.760 N/A LYS 509.A NZ PRO 472.A O no hydrogen 2.725 N/A ALA 510.A N ILE 507.A O no hydrogen 2.768 N/A LEU 511.A N ILE 507.A O no hydrogen 3.055 N/A ASP 512.A N GLN 508.A O no hydrogen 2.910 N/A VAL 514.A N ALA 510.A O no hydrogen 2.999 N/A GLU 515.A N LEU 511.A O no hydrogen 3.078 N/A GLN 516.A N ASP 512.A O no hydrogen 2.943 N/A HIS 517.A N VAL 514.A O no hydrogen 2.762 N/A HIS 517.A ND1 TRP 513.A O no hydrogen 2.805 N/A GLN 518.A N GLU 515.A O no hydrogen 3.491 N/A GLN 518.A NE2 GLY 522.A O no hydrogen 2.960 N/A GLN 518.A NE2 ALA 564.A O no hydrogen 2.875 N/A ASN 519.A N GLY 523.A O no hydrogen 2.668 N/A ASN 519.A ND2 GLY 540.A O no hydrogen 2.705 N/A ASN 519.A ND2 SER 542.A OG no hydrogen 3.161 N/A GLY 522.A N ASN 519.A O no hydrogen 2.864 N/A GLY 523.A N ASP 521.A OD1 no hydrogen 3.297 N/A TRP 524.A N THR 547.A OG1 no hydrogen 2.898 N/A TRP 524.A NE1 VAL 514.A O no hydrogen 3.193 N/A GLU 526.A N GLN 546.A OE1 no hydrogen 3.138 N/A ASP 527.A N LYS 539.A O no hydrogen 2.664 N/A CYS 528.A SG TYR 587.A O no hydrogen 3.773 N/A ARG 529.A N ASP 527.A OD2 no hydrogen 2.859 N/A ARG 529.A NH1 GLY 74.A O no hydrogen 3.121 N/A ARG 529.A NH1 ASP 527.A OD2 no hydrogen 2.998 N/A ARG 529.A NH2 GLY 74.A O no hydrogen 3.077 N/A SER 530.A N ASP 527.A O no hydrogen 3.019 N/A SER 530.A OG GLU 526.A OE2 no hydrogen 3.519 N/A SER 530.A OG ASP 527.A O no hydrogen 2.761 N/A TYR 531.A N CYS 528.A O no hydrogen 3.443 N/A TYR 531.A OH GLY 478.A O no hydrogen 2.463 N/A TYR 531.A OH THR 590.A OG1 no hydrogen 2.745 N/A GLU 532.A N ARG 529.A O no hydrogen 2.709 N/A ASP 533.A N ARG 529.A O no hydrogen 3.006 N/A ALA 535.A N ASP 533.A OD1 no hydrogen 2.881 N/A TYR 536.A N ASP 533.A O no hydrogen 3.143 N/A ALA 537.A N PRO 534.A O no hydrogen 2.717 N/A GLY 538.A N GLU 526.A OE2 no hydrogen 3.024 N/A LYS 539.A N TYR 536.A O no hydrogen 2.603 N/A SER 542.A OG ASP 521.A OD1 no hydrogen 2.640 N/A THR 543.A N TRP 524.A O no hydrogen 3.095 N/A THR 543.A OG1 GLN 546.A OE1 no hydrogen 2.674 N/A SER 545.A N GLU 584.A OE2 no hydrogen 3.007 N/A SER 545.A OG GLU 584.A OE2 no hydrogen 2.543 N/A SER 545.A OG THR 588.A OG1 no hydrogen 3.371 N/A GLN 546.A N THR 543.A OG1 no hydrogen 3.136 N/A GLN 546.A NE2 VAL 482.A O no hydrogen 2.922 N/A GLN 546.A NE2 GLU 526.A O no hydrogen 2.689 N/A THR 547.A N THR 543.A O no hydrogen 3.005 N/A THR 547.A OG1 TRP 524.A O no hydrogen 3.204 N/A THR 547.A OG1 THR 543.A O no hydrogen 2.842 N/A ALA 548.A N PRO 544.A O no hydrogen 3.013 N/A TRP 549.A N SER 545.A O no hydrogen 2.823 N/A ALA 550.A N GLN 546.A O no hydrogen 3.104 N/A LEU 551.A N THR 547.A O no hydrogen 2.971 N/A MET 552.A N ALA 548.A O no hydrogen 3.156 N/A ALA 553.A N TRP 549.A O no hydrogen 3.116 N/A LEU 554.A N ALA 550.A O no hydrogen 3.053 N/A ILE 555.A N LEU 551.A O no hydrogen 2.678 N/A ALA 556.A N MET 552.A O no hydrogen 3.038 N/A GLY 557.A N ALA 553.A O no hydrogen 3.035 N/A GLY 558.A N ILE 555.A O no hydrogen 3.430 N/A ARG 559.A NH1 ASP 512.A OD1 no hydrogen 2.751 N/A ARG 559.A NH2 GLN 508.A OE1 no hydrogen 2.952 N/A ARG 559.A NH2 ASP 512.A OD1 no hydrogen 2.721 N/A SER 562.A OG GLU 515.A OE2 no hydrogen 3.221 N/A ARG 566.A N SER 562.A O no hydrogen 3.290 N/A ARG 567.A N GLU 563.A O no hydrogen 2.673 N/A GLY 568.A N ALA 564.A O no hydrogen 2.928 N/A VAL 569.A N ALA 565.A O no hydrogen 3.218 N/A GLN 570.A N ARG 566.A O no hydrogen 3.170 N/A TYR 571.A N ARG 567.A O no hydrogen 3.358 N/A LEU 572.A N GLY 568.A O no hydrogen 3.243 N/A VAL 573.A N VAL 569.A O no hydrogen 2.916 N/A GLU 574.A N GLN 570.A O no hydrogen 2.792 N/A THR 575.A N TYR 571.A O no hydrogen 2.842 N/A THR 575.A OG1 TYR 571.A O no hydrogen 2.862 N/A THR 575.A OG1 LEU 572.A O no hydrogen 3.547 N/A GLN 576.A N LEU 572.A O no hydrogen 3.072 N/A GLN 576.A NE2 THR 5.A O no hydrogen 2.905 N/A GLN 576.A NE2 GLY 580.A O no hydrogen 2.963 N/A ARG 577.A N GLY 581.A O no hydrogen 2.926 N/A GLY 580.A N ARG 577.A O no hydrogen 3.167 N/A GLY 581.A N ASP 579.A OD1 no hydrogen 2.952 N/A TRP 582.A N HIS 605.A ND1 no hydrogen 3.273 N/A TRP 582.A NE1 LEU 572.A O no hydrogen 3.111 N/A TYR 587.A OH SER 29.A O no hydrogen 2.610 N/A THR 588.A OG1 SER 545.A OG no hydrogen 3.371 N/A THR 588.A OG1 GLU 584.A OE1 no hydrogen 3.363 N/A GLY 589.A N LEU 598.A O no hydrogen 2.965 N/A THR 590.A OG1 TYR 531.A OH no hydrogen 2.745 N/A GLY 591.A N PHE 596.A O no hydrogen 2.789 N/A PHE 592.A N PHE 596.A O no hydrogen 2.902 N/A ASP 595.A N PHE 592.A O no hydrogen 3.165 N/A PHE 596.A N PHE 592.A O no hydrogen 3.190 N/A LEU 598.A N GLY 589.A O no hydrogen 2.919 N/A GLY 599.A N LEU 28.A O no hydrogen 2.687 N/A THR 601.A OG1 PRO 26.A O no hydrogen 2.774 N/A TYR 603.A N TYR 600.A O no hydrogen 3.051 N/A HIS 605.A N MET 602.A O no hydrogen 2.914 N/A VAL 606.A N MET 602.A O no hydrogen 2.920 N/A PHE 607.A N TYR 603.A O no hydrogen 3.136 N/A THR 609.A N HIS 605.A O no hydrogen 3.441 N/A THR 609.A OG1 HIS 605.A O no hydrogen 2.812 N/A LEU 610.A N VAL 606.A O no hydrogen 2.795 N/A ALA 611.A N PHE 607.A O no hydrogen 2.852 N/A LEU 612.A N PRO 608.A O no hydrogen 2.873 N/A GLY 613.A N THR 609.A O no hydrogen 2.815 N/A ARG 614.A N LEU 610.A O no hydrogen 3.070 N/A ARG 614.A NH1 SER 493.A OG no hydrogen 2.829 N/A ARG 614.A NH2 GLU 445.A OE2 no hydrogen 3.173 N/A TYR 615.A N LEU 612.A O no hydrogen 3.094 N/A LYS 616.A N LEU 612.A O no hydrogen 3.047 N/A GLN 617.A NE2 GLY 613.A O no hydrogen 3.630 N/A GLU 620.A N LYS 616.A O no hydrogen 3.340 N/A