Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N ASP 1.A O no hydrogen 3.428 N/A ASN 5.A ND2 ASP 1.A O no hydrogen 3.160 N/A THR 7.A N GLU 3.A O no hydrogen 3.149 N/A THR 7.A OG1 GLU 3.A O no hydrogen 3.251 N/A THR 7.A OG1 ASP 22.A OD2 no hydrogen 2.469 N/A ILE 8.A N ILE 4.A O no hydrogen 2.962 N/A ASP 9.A N ASN 5.A O no hydrogen 2.842 N/A ALA 10.A N ASN 6.A O no hydrogen 3.000 N/A ILE 11.A N THR 7.A O no hydrogen 3.109 N/A GLU 12.A N ILE 8.A O no hydrogen 3.143 N/A ASP 13.A N ASP 9.A O no hydrogen 2.867 N/A LYS 14.A N ILE 11.A O no hydrogen 3.164 N/A LYS 14.A NZ LYS 50.A O no hydrogen 2.519 N/A ASN 15.A N ALA 10.A O no hydrogen 2.994 N/A LYS 17.A NZ GLU 33.A OE2 no hydrogen 2.796 N/A LYS 17.A NZ THR 37.A OG1 no hydrogen 2.781 N/A GLN 18.A N ASN 15.A O no hydrogen 3.086 N/A GLN 18.A N ASN 15.A OD1 no hydrogen 3.225 N/A GLN 18.A NE2 GLN 18.A O no hydrogen 3.404 N/A GLN 18.A NE2 ASP 22.A OD1 no hydrogen 3.034 N/A VAL 19.A N ASN 15.A O no hydrogen 3.142 N/A TYR 20.A N PHE 16.A O no hydrogen 2.827 N/A LYS 21.A N LYS 17.A O no hydrogen 3.001 N/A ASP 22.A N GLN 18.A O no hydrogen 2.773 N/A SER 23.A N TYR 20.A O no hydrogen 3.225 N/A SER 23.A OG VAL 19.A O no hydrogen 2.652 N/A SER 24.A N LEU 99.A O no hydrogen 2.771 N/A SER 24.A OG SER 27.A OG no hydrogen 2.686 N/A SER 24.A OG LEU 99.A O no hydrogen 3.404 N/A TYR 25.A N GLU 93.A OE2 no hydrogen 2.934 N/A SER 27.A N SER 24.A OG no hydrogen 3.240 N/A SER 27.A OG SER 24.A O no hydrogen 3.358 N/A SER 27.A OG SER 24.A OG no hydrogen 2.686 N/A SER 27.A OG LEU 99.A O no hydrogen 3.204 N/A LYS 28.A N SER 24.A O no hydrogen 3.046 N/A SER 29.A N TYR 25.A O no hydrogen 3.048 N/A ASP 30.A N ILE 26.A O no hydrogen 2.854 N/A ASN 31.A N SER 27.A O no hydrogen 3.193 N/A ASN 31.A ND2 SER 27.A O no hydrogen 3.052 N/A GLY 32.A N LYS 28.A O no hydrogen 2.771 N/A MET 36.A N GLY 32.A O no hydrogen 3.201 N/A THR 37.A N GLU 33.A O no hydrogen 2.764 N/A THR 37.A OG1 GLU 33.A O no hydrogen 2.570 N/A GLU 38.A N VAL 34.A O no hydrogen 2.731 N/A ARG 39.A N VAL 34.A O no hydrogen 3.176 N/A ARG 39.A NH1 GLU 35.A OE2 no hydrogen 2.821 N/A ARG 39.A NH2 GLN 114.A O no hydrogen 2.851 N/A LYS 42.A N GLU 38.A O no hydrogen 3.374 N/A ILE 43.A N ARG 39.A O no hydrogen 2.872 N/A TYR 44.A N PRO 40.A O no hydrogen 2.903 N/A TYR 44.A OH ILE 106.A O no hydrogen 2.747 N/A ASN 45.A N ILE 41.A O no hydrogen 3.015 N/A SER 46.A N LYS 42.A O no hydrogen 2.990 N/A SER 46.A OG ILE 43.A O no hydrogen 2.869 N/A LEU 47.A N ILE 43.A O no hydrogen 3.125 N/A GLY 48.A N ASN 45.A O no hydrogen 3.120 N/A VAL 49.A N TYR 44.A O no hydrogen 2.967 N/A LYS 50.A N LYS 76.A O no hydrogen 2.774 N/A LYS 50.A NZ ASN 78.A OD1 no hydrogen 2.847 N/A ASN 53.A N LYS 74.A O no hydrogen 2.718 N/A ILE 54.A N GLU 12.A OE1 no hydrogen 3.084 N/A GLN 55.A N GLN 72.A O no hydrogen 2.998 N/A ARG 57.A NE ILE 54.A O no hydrogen 2.890 N/A ARG 57.A NH1 ASN 5.A O no hydrogen 3.282 N/A ARG 57.A NH1 ASN 5.A OD1 no hydrogen 2.809 N/A ARG 57.A NH1 ASP 9.A OD1 no hydrogen 2.985 N/A ARG 57.A NH2 ASP 9.A OD1 no hydrogen 2.830 N/A ARG 57.A NH2 ILE 54.A O no hydrogen 3.319 N/A LYS 58.A N ASP 70.A O no hydrogen 2.821 N/A LYS 60.A N ARG 68.A O no hydrogen 2.886 N/A SER 63.A N LYS 66.A O no hydrogen 2.873 N/A LYS 66.A N SER 63.A O no hydrogen 3.026 N/A LYS 67.A N PHE 90.A O no hydrogen 2.947 N/A LYS 67.A NZ ASP 1.A OD1 no hydrogen 3.050 N/A ARG 68.A N LYS 60.A O no hydrogen 2.752 N/A ARG 68.A NE ASP 70.A OD1 no hydrogen 3.269 N/A ARG 68.A NE ASP 70.A OD2 no hydrogen 3.012 N/A ARG 68.A NH2 ASP 70.A OD1 no hydrogen 3.154 N/A VAL 69.A N PHE 88.A O no hydrogen 2.709 N/A ASP 70.A N LYS 58.A O no hydrogen 3.014 N/A ALA 71.A N VAL 86.A O no hydrogen 3.078 N/A GLN 72.A N GLN 55.A O no hydrogen 2.862 N/A GLN 72.A NE2 ASP 83.A OD2 no hydrogen 2.419 N/A TYR 73.A N ARG 84.A O no hydrogen 2.787 N/A TYR 73.A OH TYR 44.A OH no hydrogen 3.111 N/A TYR 73.A OH VAL 105.A O no hydrogen 2.659 N/A LYS 74.A N ASN 53.A O no hydrogen 2.799 N/A ILE 75.A N ILE 82.A O no hydrogen 2.695 N/A LYS 76.A N ASP 51.A O no hydrogen 2.984 N/A THR 77.A N GLY 80.A O no hydrogen 3.252 N/A THR 77.A OG1 GLY 80.A O no hydrogen 2.619 N/A ASN 78.A N LEU 47.A O no hydrogen 3.146 N/A TYR 79.A N THR 77.A OG1 no hydrogen 2.988 N/A GLY 80.A N THR 77.A O no hydrogen 3.158 N/A ILE 82.A N ILE 75.A O no hydrogen 2.775 N/A ARG 84.A N TYR 73.A O no hydrogen 3.026 N/A ARG 84.A NE PRO 108.A O no hydrogen 3.104 N/A VAL 86.A N ALA 71.A O no hydrogen 2.829 N/A GLN 87.A NE2 ASN 89.A OD1 no hydrogen 2.957 N/A PHE 88.A N VAL 69.A O no hydrogen 2.739 N/A PHE 90.A N LYS 67.A O no hydrogen 2.868 N/A VAL 91.A N LYS 98.A O no hydrogen 2.859 N/A LYS 92.A N ASN 65.A O no hydrogen 2.986 N/A GLU 93.A N MET 96.A O no hydrogen 3.105 N/A ASP 94.A N ASP 94.A OD1 no hydrogen 2.556 N/A TRP 97.A N GLU 3.A OE2 no hydrogen 3.188 N/A LYS 98.A N VAL 91.A O no hydrogen 2.789 N/A LYS 98.A NZ ASP 94.A OD1 no hydrogen 2.560 N/A LYS 98.A NZ ASP 94.A OD2 no hydrogen 3.477 N/A LEU 99.A N ASP 22.A O no hydrogen 2.879 N/A ASP 100.A N ASN 89.A O no hydrogen 2.766 N/A TRP 101.A N SER 27.A OG no hydrogen 3.240 N/A HIS 103.A NE2 GLU 35.A OE2 no hydrogen 2.869 N/A SER 104.A N ASP 102.A OD2 no hydrogen 2.871 N/A SER 104.A OG MET 110.A O no hydrogen 2.955 N/A VAL 105.A N ASP 102.A O no hydrogen 3.069 N/A ILE 106.A N HIS 103.A O no hydrogen 3.112 N/A ILE 107.A N HIS 103.A O no hydrogen 3.247 N/A GLY 109.A N SER 104.A OG no hydrogen 3.117 N/A MET 110.A N ILE 107.A O no hydrogen 2.930 N/A GLN 111.A N GLN 114.A OE1 no hydrogen 2.607 N/A GLN 114.A NE2 ASP 277.A OD1 no hydrogen 3.071 N/A SER 115.A N VAL 276.A O no hydrogen 2.684 N/A SER 115.A OG VAL 276.A O no hydrogen 3.387 N/A SER 115.A OG ASP 278.A OD1 no hydrogen 2.891 N/A HIS 117.A N THR 274.A O no hydrogen 2.913 N/A GLU 119.A N ARG 272.A O no hydrogen 2.903 N/A LEU 121.A N GLY 270.A O no hydrogen 2.785 N/A SER 123.A N ASP 269.A OD1 no hydrogen 2.631 N/A SER 123.A OG HIS 267.A ND1 no hydrogen 2.965 N/A SER 123.A OG ASP 269.A OD1 no hydrogen 2.633 N/A GLU 124.A N ASP 293.A OD1 no hydrogen 2.737 N/A ARG 125.A NE GLU 258.A OE1 no hydrogen 2.945 N/A ARG 125.A NH1 ASP 262.A OD1 no hydrogen 2.832 N/A ARG 125.A NH2 GLU 258.A OE1 no hydrogen 2.974 N/A ARG 125.A NH2 ASP 262.A OD1 no hydrogen 2.870 N/A GLY 126.A N LEU 265.A O no hydrogen 2.875 N/A LYS 127.A N ASP 296.A OD1 no hydrogen 2.919 N/A LYS 127.A NZ GLU 135.A OE1 no hydrogen 3.063 N/A ILE 128.A N ALA 137.A O no hydrogen 3.020 N/A LEU 129.A N ILE 297.A O no hydrogen 2.819 N/A ASP 130.A N VAL 134.A O no hydrogen 2.825 N/A ARG 131.A N ILE 301.A O no hydrogen 2.895 N/A ARG 131.A NE ILE 633.A O no hydrogen 2.910 N/A ARG 131.A NE ASP 634.A OD2 no hydrogen 3.163 N/A ARG 131.A NH1 THR 300.A O no hydrogen 3.015 N/A ARG 131.A NH1 GLU 329.A OE1 no hydrogen 2.808 N/A ARG 131.A NH2 GLU 329.A OE1 no hydrogen 3.190 N/A ARG 131.A NH2 ASP 634.A OD2 no hydrogen 2.658 N/A ASN 132.A N ASP 130.A OD2 no hydrogen 2.704 N/A ASN 132.A ND2 ILE 633.A O no hydrogen 3.056 N/A ASN 133.A N ASP 130.A O no hydrogen 2.916 N/A VAL 134.A N ASP 130.A OD2 no hydrogen 2.766 N/A LEU 136.A N ILE 128.A O no hydrogen 2.869 N/A ALA 137.A N ILE 128.A O no hydrogen 3.121 N/A ASN 138.A N ASN 216.A O no hydrogen 2.949 N/A ASN 138.A ND2 GLU 135.A OE2 no hydrogen 2.749 N/A THR 139.A OG1 GLU 124.A OE1 no hydrogen 2.982 N/A GLY 140.A N SER 214.A O no hydrogen 2.677 N/A ALA 142.A N THR 212.A O no hydrogen 2.968 N/A TYR 143.A N VAL 191.A O no hydrogen 2.737 N/A TYR 143.A OH GLU 211.A OE1 no hydrogen 2.915 N/A GLU 144.A N ASN 210.A O no hydrogen 2.642 N/A ILE 145.A N LYS 189.A O no hydrogen 2.762 N/A GLY 146.A N THR 208.A O no hydrogen 2.632 N/A ILE 147.A N VAL 186.A O no hydrogen 2.949 N/A LYS 150.A N ASP 182.A O no hydrogen 2.976 N/A LYS 150.A NZ ASN 151.A OD1 no hydrogen 2.879 N/A ASN 151.A N VAL 148.A O no hydrogen 3.065 N/A VAL 152.A N PRO 149.A O no hydrogen 3.359 N/A SER 153.A OG ASP 156.A OD1 no hydrogen 2.893 N/A LYS 155.A N SER 153.A OG no hydrogen 3.376 N/A ASP 156.A N SER 153.A O no hydrogen 2.960 N/A ILE 160.A N ASP 156.A O no hydrogen 2.720 N/A ALA 161.A N TYR 157.A O no hydrogen 3.039 N/A LYS 162.A N LYS 158.A O no hydrogen 3.069 N/A GLU 163.A N ALA 159.A O no hydrogen 3.207 N/A LEU 164.A N ILE 160.A O no hydrogen 3.325 N/A SER 165.A N LYS 162.A O no hydrogen 3.065 N/A ILE 166.A N ALA 161.A O no hydrogen 2.957 N/A TYR 170.A N SER 167.A OG no hydrogen 2.926 N/A ILE 171.A N SER 167.A O no hydrogen 3.281 N/A LYS 172.A N GLU 168.A O no hydrogen 2.920 N/A GLN 173.A N ASP 169.A O no hydrogen 2.911 N/A GLN 174.A N TYR 170.A O no hydrogen 2.962 N/A GLN 174.A NE2 GLN 173.A OE1 no hydrogen 3.469 N/A MET 175.A N ILE 171.A O no hydrogen 3.001 N/A GLN 177.A N GLN 174.A O no hydrogen 3.335 N/A GLN 177.A NE2 GLN 174.A O no hydrogen 3.284 N/A VAL 180.A N GLN 177.A O no hydrogen 3.026 N/A GLN 181.A N THR 184.A OG1 no hydrogen 2.635 N/A THR 184.A N GLN 181.A O no hydrogen 3.075 N/A THR 184.A OG1 GLN 181.A O no hydrogen 3.322 N/A VAL 186.A N ILE 147.A O no hydrogen 2.845 N/A LEU 188.A N ILE 145.A O no hydrogen 2.789 N/A LYS 189.A N ILE 145.A O no hydrogen 3.211 N/A LYS 189.A NZ LEU 164.A O no hydrogen 2.897 N/A LYS 189.A NZ GLY 347.A O no hydrogen 3.168 N/A VAL 191.A N TYR 143.A O no hydrogen 2.859 N/A LYS 192.A NZ THR 141.A O no hydrogen 2.780 N/A LYS 192.A NZ ASN 216.A OD1 no hydrogen 2.853 N/A LEU 198.A N ASP 195.A OD2 no hydrogen 3.047 N/A SER 199.A N ASP 195.A O no hydrogen 2.918 N/A ASP 200.A N GLU 196.A O no hydrogen 2.649 N/A PHE 201.A N TYR 197.A O no hydrogen 3.150 N/A ALA 202.A N LEU 198.A O no hydrogen 2.924 N/A LYS 203.A N SER 199.A O no hydrogen 2.985 N/A LYS 203.A NZ SER 199.A OG no hydrogen 3.238 N/A LYS 204.A N ASP 200.A O no hydrogen 3.086 N/A PHE 205.A N PHE 201.A O no hydrogen 3.467 N/A HIS 206.A N LYS 203.A O no hydrogen 3.279 N/A LEU 207.A N ALA 202.A O no hydrogen 2.571 N/A THR 208.A N GLY 146.A O no hydrogen 2.870 N/A ASN 210.A N GLU 144.A O no hydrogen 2.637 N/A ASN 210.A ND2 GLU 144.A OE2 no hydrogen 3.405 N/A THR 212.A N ALA 142.A O no hydrogen 2.840 N/A SER 214.A N GLY 140.A O no hydrogen 3.062 N/A SER 214.A OG TYR 346.A OH no hydrogen 2.765 N/A ARG 215.A NE GLU 258.A OE2 no hydrogen 2.702 N/A ARG 215.A NH1 GLY 126.A O no hydrogen 2.943 N/A ARG 215.A NH2 GLY 126.A O no hydrogen 2.798 N/A ARG 215.A NH2 GLU 258.A OE1 no hydrogen 3.263 N/A ARG 215.A NH2 GLU 258.A OE2 no hydrogen 3.340 N/A ASN 216.A N ASN 138.A O no hydrogen 2.816 N/A ASN 216.A ND2 ASN 138.A OD1 no hydrogen 3.030 N/A TYR 217.A N TYR 342.A OH no hydrogen 2.987 N/A TYR 217.A OH GLU 258.A OE2 no hydrogen 2.759 N/A GLU 220.A N TYR 217.A O no hydrogen 2.955 N/A ALA 222.A N LEU 219.A O no hydrogen 3.030 N/A THR 223.A N GLU 220.A O no hydrogen 3.376 N/A SER 224.A N LYS 221.A O no hydrogen 3.484 N/A SER 224.A OG SER 338.A OG no hydrogen 3.337 N/A SER 224.A OG TYR 339.A O no hydrogen 2.608 N/A HIS 225.A NE2 PRO 363.A O no hydrogen 2.758 N/A LEU 227.A N THR 223.A O no hydrogen 2.953 N/A GLY 228.A N SER 224.A O no hydrogen 2.901 N/A GLY 231.A N ILE 252.A O no hydrogen 2.868 N/A ILE 233.A N ALA 250.A O no hydrogen 2.901 N/A ASN 234.A N GLU 237.A OE2 no hydrogen 2.682 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.401 N/A GLU 237.A N ASN 234.A OD1 no hydrogen 2.999 N/A LEU 238.A N ASN 234.A O no hydrogen 3.216 N/A LYS 239.A N GLU 236.A O no hydrogen 3.224 N/A GLN 240.A N GLU 237.A O no hydrogen 3.085 N/A TYR 243.A N GLN 240.A O no hydrogen 3.202 N/A LYS 244.A N LYS 241.A O no hydrogen 2.973 N/A TYR 246.A N TYR 243.A O no hydrogen 2.835 N/A TYR 246.A OH ASP 262.A OD2 no hydrogen 2.594 N/A ALA 250.A N LYS 247.A O no hydrogen 3.520 N/A ILE 252.A N GLY 231.A O no hydrogen 2.831 N/A GLY 253.A N ASP 262.A OD1 no hydrogen 2.922 N/A LYS 254.A N TYR 229.A O no hydrogen 2.789 N/A LYS 254.A NZ PRO 232.A O no hydrogen 2.998 N/A LYS 254.A NZ GLU 237.A OE1 no hydrogen 2.712 N/A LYS 254.A NZ GLU 237.A OE2 no hydrogen 2.728 N/A LEU 257.A N LEU 226.A O no hydrogen 2.955 N/A GLU 258.A N LEU 227.A O no hydrogen 3.031 N/A LYS 259.A N LYS 255.A O no hydrogen 3.190 N/A LYS 259.A N GLY 256.A O no hydrogen 3.140 N/A LEU 260.A N GLY 256.A O no hydrogen 2.870 N/A TYR 261.A N LEU 257.A O no hydrogen 2.901 N/A TYR 261.A OH ASP 468.A O no hydrogen 2.512 N/A ASP 262.A N LYS 259.A O no hydrogen 3.209 N/A LYS 263.A NZ GLU 242.A O no hydrogen 2.623 N/A LEU 265.A N TYR 261.A O no hydrogen 3.211 N/A LEU 265.A N ASP 262.A O no hydrogen 3.021 N/A GLN 266.A N LYS 263.A O no hydrogen 3.305 N/A GLN 266.A NE2 VAL 251.A O no hydrogen 3.025 N/A GLN 266.A NE2 ASP 262.A OD1 no hydrogen 3.246 N/A GLN 266.A NE2 ASP 262.A OD2 no hydrogen 2.882 N/A HIS 267.A N GLN 266.A OE1 no hydrogen 3.313 N/A HIS 267.A ND1 SER 123.A OG no hydrogen 2.965 N/A GLU 268.A N LYS 292.A O no hydrogen 2.821 N/A GLY 270.A N LEU 121.A O no hydrogen 2.689 N/A TYR 271.A N LYS 289.A O no hydrogen 2.975 N/A TYR 271.A OH TYR 79.A O no hydrogen 2.748 N/A ARG 272.A N GLU 119.A O no hydrogen 3.031 N/A ARG 272.A NH1 GLU 288.A OE1 no hydrogen 2.744 N/A VAL 273.A N ILE 287.A O no hydrogen 2.901 N/A THR 274.A N HIS 117.A O no hydrogen 2.904 N/A ILE 275.A N HIS 284.A O no hydrogen 2.882 N/A VAL 276.A N SER 115.A O no hydrogen 2.767 N/A ASP 277.A N THR 281.A O no hydrogen 3.165 N/A ASP 278.A N ASP 113.A O no hydrogen 2.942 N/A ASN 280.A N ASP 277.A O no hydrogen 3.058 N/A ALA 283.A N ILE 275.A O no hydrogen 2.821 N/A HIS 284.A N ILE 275.A O no hydrogen 3.388 N/A LEU 286.A N VAL 273.A O no hydrogen 2.726 N/A ILE 287.A N VAL 273.A O no hydrogen 3.248 N/A LYS 289.A N TYR 271.A O no hydrogen 2.821 N/A LYS 289.A NZ GLU 268.A OE2 no hydrogen 2.832 N/A LYS 291.A NZ LYS 122.A O no hydrogen 3.441 N/A LYS 291.A NZ ASP 293.A OD2 no hydrogen 3.425 N/A LYS 292.A N GLU 268.A O no hydrogen 2.651 N/A LYS 292.A NZ GLU 268.A OE2 no hydrogen 3.173 N/A GLY 294.A N GLU 124.A O no hydrogen 2.750 N/A ILE 297.A N LYS 127.A O no hydrogen 2.844 N/A GLN 298.A NE2 ASP 130.A O no hydrogen 3.273 N/A LEU 299.A N LEU 129.A O no hydrogen 2.713 N/A THR 300.A N LEU 522.A O no hydrogen 2.811 N/A THR 300.A OG1 LEU 330.A O no hydrogen 2.489 N/A THR 300.A OG1 HIS 521.A O no hydrogen 3.411 N/A ASP 302.A N LEU 331.A O no hydrogen 2.835 N/A ALA 303.A N ASP 130.A OD1 no hydrogen 2.801 N/A LYS 304.A N ASP 302.A OD1 no hydrogen 2.971 N/A LYS 304.A NZ GLU 635.A OXT no hydrogen 2.475 N/A VAL 305.A N ASP 302.A O no hydrogen 2.900 N/A GLN 306.A N ASP 302.A O no hydrogen 3.062 N/A GLN 306.A NE2 ALA 222.A O no hydrogen 2.905 N/A GLN 306.A NE2 LEU 333.A O no hydrogen 2.910 N/A LYS 307.A N ALA 303.A O no hydrogen 2.965 N/A SER 308.A N LYS 304.A O no hydrogen 3.162 N/A SER 308.A OG GLU 622.A OE1 no hydrogen 2.664 N/A ILE 309.A N VAL 305.A O no hydrogen 2.913 N/A TYR 310.A N GLN 306.A O no hydrogen 3.062 N/A ASN 311.A N LYS 307.A O no hydrogen 2.898 N/A ASN 312.A N SER 308.A O no hydrogen 3.129 N/A ASN 312.A ND2 SER 308.A O no hydrogen 2.906 N/A MET 313.A N TYR 310.A O no hydrogen 3.065 N/A ASP 316.A N MET 313.A O no hydrogen 2.916 N/A TYR 317.A OH GLU 362.A OE1 no hydrogen 3.169 N/A GLY 318.A N THR 336.A O no hydrogen 2.883 N/A SER 319.A N ASN 599.A O no hydrogen 3.074 N/A GLY 320.A N VAL 334.A O no hydrogen 2.969 N/A THR 321.A N ALA 597.A O no hydrogen 2.973 N/A ALA 322.A N ALA 332.A O no hydrogen 3.057 N/A ILE 323.A N MET 595.A O no hydrogen 3.005 N/A HIS 324.A N GLU 329.A O no hydrogen 2.947 N/A HIS 324.A ND1 ASN 593.A O no hydrogen 2.778 N/A GLN 326.A N GLN 326.A OE1 no hydrogen 2.623 N/A GLN 326.A NE2 PRO 592.A O no hydrogen 2.913 N/A THR 327.A N HIS 324.A O no hydrogen 3.212 N/A THR 327.A OG1 GLU 329.A OE2 no hydrogen 2.695 N/A GLY 328.A N HIS 324.A O no hydrogen 2.905 N/A GLU 329.A N THR 327.A OG1 no hydrogen 3.244 N/A LEU 330.A N HIS 521.A O no hydrogen 2.963 N/A LEU 331.A N ALA 322.A O no hydrogen 2.832 N/A ALA 332.A N ALA 322.A O no hydrogen 3.354 N/A LEU 333.A N GLN 306.A OE1 no hydrogen 2.935 N/A VAL 334.A N GLY 320.A O no hydrogen 2.846 N/A SER 335.A OG LEU 365.A O no hydrogen 3.311 N/A THR 336.A N GLY 318.A O no hydrogen 2.931 N/A THR 336.A OG1 MET 313.A O no hydrogen 3.114 N/A THR 336.A OG1 ASP 316.A O no hydrogen 2.701 N/A THR 336.A OG1 GLY 318.A O no hydrogen 3.516 N/A SER 338.A OG LYS 221.A O no hydrogen 2.634 N/A TYR 339.A N SER 338.A OG no hydrogen 2.682 N/A TYR 342.A N ASP 340.A OD1 no hydrogen 2.969 N/A PHE 344.A N VAL 341.A O no hydrogen 2.928 N/A MET 345.A N VAL 341.A O no hydrogen 3.037 N/A TYR 346.A N TYR 342.A O no hydrogen 2.795 N/A TYR 346.A OH SER 214.A OG no hydrogen 2.765 N/A GLY 347.A N PRO 343.A O no hydrogen 2.806 N/A SER 349.A N GLU 352.A OE2 no hydrogen 2.950 N/A SER 349.A OG GLU 352.A OE2 no hydrogen 3.342 N/A GLU 352.A N SER 349.A OG no hydrogen 3.059 N/A TYR 353.A N SER 349.A O no hydrogen 2.993 N/A ASN 354.A N ASN 350.A O no hydrogen 2.784 N/A LYS 355.A N GLU 351.A O no hydrogen 2.883 N/A THR 357.A N TYR 353.A O no hydrogen 3.145 N/A THR 357.A OG1 TYR 353.A O no hydrogen 3.526 N/A THR 357.A OG1 ASN 354.A O no hydrogen 3.293 N/A GLU 358.A N ASN 354.A O no hydrogen 3.048 N/A ASP 359.A N LEU 356.A O no hydrogen 3.408 N/A LYS 361.A N ASP 359.A OD1 no hydrogen 2.802 N/A LYS 361.A NZ ASN 315.A O no hydrogen 2.865 N/A GLU 362.A N ASP 359.A O no hydrogen 2.938 N/A LEU 365.A N GLU 362.A O no hydrogen 3.092 N/A LYS 367.A N SER 335.A OG no hydrogen 2.864 N/A LYS 367.A NZ THR 336.A O no hydrogen 2.983 N/A LYS 367.A NZ LYS 361.A O no hydrogen 2.766 N/A LYS 367.A NZ GLU 362.A O no hydrogen 2.829 N/A PHE 368.A N ASN 366.A OD1 no hydrogen 3.101 N/A GLN 369.A N ASN 366.A O no hydrogen 3.254 N/A GLN 369.A NE2 PRO 470.A O no hydrogen 2.954 N/A ILE 370.A N ASN 366.A O no hydrogen 3.464 N/A THR 372.A N ILE 499.A O no hydrogen 3.153 N/A SER 373.A OG GLY 493.A O no hydrogen 2.773 N/A GLY 375.A N SER 373.A OG no hydrogen 3.166 N/A THR 377.A N PRO 374.A O no hydrogen 3.055 N/A THR 377.A OG1 PRO 374.A O no hydrogen 2.712 N/A GLN 378.A N GLY 375.A O no hydrogen 2.980 N/A GLN 378.A NE2 THR 382.A OG1 no hydrogen 3.003 N/A LYS 379.A N SER 376.A O no hydrogen 3.024 N/A LYS 379.A NZ SER 376.A OG no hydrogen 2.888 N/A LYS 379.A NZ SER 435.A O no hydrogen 2.912 N/A LYS 379.A NZ SER 435.A OG no hydrogen 2.576 N/A LYS 379.A NZ ASN 437.A OD1 no hydrogen 2.846 N/A ILE 380.A N THR 377.A O no hydrogen 3.274 N/A THR 382.A N GLN 378.A O no hydrogen 2.869 N/A THR 382.A OG1 GLN 378.A O no hydrogen 3.399 N/A THR 382.A OG1 GLY 491.A O no hydrogen 2.637 N/A ALA 383.A N LYS 379.A O no hydrogen 3.039 N/A MET 384.A N ILE 380.A O no hydrogen 2.900 N/A ILE 385.A N LEU 381.A O no hydrogen 3.014 N/A GLY 386.A N THR 382.A O no hydrogen 2.964 N/A LEU 387.A N ALA 383.A O no hydrogen 2.829 N/A ASN 388.A N MET 384.A O no hydrogen 3.009 N/A ASN 389.A N ILE 385.A O no hydrogen 2.926 N/A ASN 389.A ND2 ILE 385.A O no hydrogen 3.126 N/A LYS 390.A N LEU 387.A O no hydrogen 3.024 N/A THR 391.A N GLY 386.A O no hydrogen 2.933 N/A THR 391.A OG1 GLY 386.A O no hydrogen 3.258 N/A LEU 392.A N GLY 386.A O no hydrogen 3.141 N/A ASP 393.A N THR 396.A OG1 no hydrogen 2.755 N/A LYS 395.A N ASP 393.A OD2 no hydrogen 2.816 N/A THR 396.A N ASP 393.A O no hydrogen 3.144 N/A THR 396.A OG1 ASP 393.A O no hydrogen 3.188 N/A THR 396.A OG1 ASP 393.A OD2 no hydrogen 3.206 N/A TYR 398.A N ILE 426.A O no hydrogen 2.956 N/A LYS 399.A NZ ASP 401.A OD1 no hydrogen 3.376 N/A ILE 400.A N GLY 424.A O no hydrogen 2.792 N/A GLY 402.A N ASN 423.A OD1 no hydrogen 2.615 N/A TRP 405.A N VAL 416.A O no hydrogen 2.939 N/A GLN 406.A NE2 GLY 412.A O no hydrogen 2.736 N/A GLN 406.A NE2 TYR 414.A O no hydrogen 2.844 N/A LYS 407.A NZ GLU 484.A OE1 no hydrogen 2.671 N/A SER 410.A OG ASP 408.A OD1 no hydrogen 3.437 N/A SER 410.A OG ASP 408.A OD2 no hydrogen 2.566 N/A TRP 411.A N ASP 408.A O no hydrogen 3.072 N/A GLY 412.A N LYS 409.A O no hydrogen 2.784 N/A TYR 414.A N TRP 411.A O no hydrogen 3.036 N/A TYR 414.A OH ASP 489.A OD1 no hydrogen 2.616 N/A TYR 414.A OH ASP 489.A OD2 no hydrogen 3.357 N/A ASN 415.A ND2 GLY 413.A O no hydrogen 3.145 N/A VAL 416.A N TRP 405.A O no hydrogen 2.774 N/A ARG 418.A N LYS 403.A O no hydrogen 2.981 N/A ARG 418.A NE GLY 402.A O no hydrogen 2.916 N/A ARG 418.A NH1 VAL 422.A O no hydrogen 2.865 N/A ARG 418.A NH1 ASP 436.A OD1 no hydrogen 2.729 N/A ARG 418.A NH2 ILE 400.A O no hydrogen 3.352 N/A ARG 418.A NH2 GLY 402.A O no hydrogen 2.883 N/A ARG 418.A NH2 VAL 422.A O no hydrogen 3.189 N/A GLY 424.A N ILE 400.A O no hydrogen 2.941 N/A ILE 426.A N TYR 398.A O no hydrogen 2.827 N/A LYS 429.A NZ GLN 550.A OE1 no hydrogen 2.858 N/A GLN 430.A N ASP 427.A OD1 no hydrogen 3.028 N/A GLN 430.A NE2 SER 434.A OG no hydrogen 2.967 N/A ALA 431.A N ASP 427.A O no hydrogen 2.904 N/A ILE 432.A N LEU 428.A O no hydrogen 2.905 N/A GLU 433.A N LYS 429.A O no hydrogen 3.080 N/A SER 434.A N GLN 430.A O no hydrogen 3.006 N/A SER 434.A OG GLN 430.A O no hydrogen 3.247 N/A SER 435.A N ILE 432.A O no hydrogen 3.193 N/A SER 435.A OG SER 571.A O no hydrogen 2.906 N/A ASP 436.A N ALA 431.A O no hydrogen 2.980 N/A ASN 437.A ND2 THR 417.A O no hydrogen 2.965 N/A PHE 439.A N ASP 436.A OD2 no hydrogen 2.942 N/A PHE 440.A N ASP 436.A O no hydrogen 3.396 N/A ALA 441.A N ASN 437.A O no hydrogen 3.028 N/A ARG 442.A N ILE 438.A O no hydrogen 2.948 N/A ARG 442.A NH2 LYS 399.A O no hydrogen 3.545 N/A VAL 443.A N PHE 439.A O no hydrogen 3.061 N/A ALA 444.A N PHE 440.A O no hydrogen 3.152 N/A LEU 445.A N ALA 441.A O no hydrogen 2.910 N/A GLU 446.A N ARG 442.A O no hydrogen 3.056 N/A LEU 447.A N VAL 443.A O no hydrogen 3.204 N/A GLY 448.A N ALA 444.A O no hydrogen 2.904 N/A PHE 452.A N GLY 448.A O no hydrogen 2.957 N/A GLU 453.A N SER 449.A O no hydrogen 2.788 N/A LYS 454.A N LYS 450.A O no hydrogen 3.056 N/A GLY 455.A N LYS 451.A O no hydrogen 2.874 N/A MET 456.A N PHE 452.A O no hydrogen 2.942 N/A LYS 457.A N GLU 453.A O no hydrogen 3.156 N/A LYS 457.A NZ GLU 453.A OE2 no hydrogen 3.541 N/A LYS 458.A N LYS 454.A O no hydrogen 2.801 N/A LEU 459.A N GLY 455.A O no hydrogen 3.100 N/A LEU 459.A N MET 456.A O no hydrogen 3.024 N/A GLY 460.A N LYS 457.A O no hydrogen 2.903 N/A VAL 461.A N MET 456.A O no hydrogen 2.972 N/A GLU 463.A N GLY 460.A O no hydrogen 3.143 N/A ILE 465.A N ASN 473.A OD1 no hydrogen 3.178 N/A SER 467.A N ILE 465.A O no hydrogen 2.930 N/A SER 467.A OG ASP 468.A OD2 no hydrogen 3.418 N/A SER 467.A OG PRO 520.A O no hydrogen 2.775 N/A PHE 471.A N TYR 469.A O no hydrogen 3.035 N/A TYR 472.A N GLN 369.A O no hydrogen 2.968 N/A GLN 475.A N LEU 498.A O no hydrogen 3.155 N/A GLN 475.A NE2 ASN 478.A OD1 no hydrogen 2.895 N/A GLN 475.A NE2 GLU 496.A O no hydrogen 2.673 N/A ASN 478.A N GLU 496.A OE2 no hydrogen 2.672 N/A ASP 482.A N ASN 480.A OD1 no hydrogen 3.155 N/A ILE 485.A N ASN 483.A OD1 no hydrogen 3.257 N/A LEU 487.A N ASN 483.A O no hydrogen 2.986 N/A ALA 488.A N GLU 484.A O no hydrogen 2.865 N/A ASP 489.A N ILE 485.A O no hydrogen 2.814 N/A SER 490.A N LEU 486.A O no hydrogen 2.831 N/A SER 490.A OG LEU 486.A O no hydrogen 2.678 N/A GLY 491.A N LEU 487.A O no hydrogen 3.040 N/A TYR 492.A OH ASP 489.A OD1 no hydrogen 2.477 N/A GLY 493.A N SER 490.A O no hydrogen 2.952 N/A GLN 494.A N ASP 489.A O no hydrogen 2.871 N/A LEU 498.A N GLN 475.A O no hydrogen 3.049 N/A ILE 499.A N THR 372.A O no hydrogen 2.768 N/A ASN 500.A ND2 PHE 368.A O no hydrogen 2.781 N/A ASN 500.A ND2 GLN 369.A O no hydrogen 2.965 N/A ASN 500.A ND2 ILE 370.A O no hydrogen 3.189 N/A GLN 503.A N ASN 500.A OD1 no hydrogen 3.226 N/A GLN 503.A NE2 GLY 460.A O no hydrogen 2.913 N/A ILE 504.A N ASN 500.A O no hydrogen 3.082 N/A LEU 505.A N PRO 501.A O no hydrogen 3.005 N/A SER 506.A N VAL 502.A O no hydrogen 2.920 N/A SER 506.A OG VAL 502.A O no hydrogen 2.976 N/A ILE 507.A N GLN 503.A O no hydrogen 3.128 N/A TYR 508.A N ILE 504.A O no hydrogen 3.120 N/A TYR 508.A OH THR 377.A O no hydrogen 2.722 N/A SER 509.A N LEU 505.A O no hydrogen 2.904 N/A SER 509.A OG SER 506.A O no hydrogen 2.594 N/A ALA 510.A N ILE 507.A O no hydrogen 3.259 N/A LEU 511.A N TYR 508.A O no hydrogen 3.112 N/A GLU 512.A N SER 509.A O no hydrogen 2.795 N/A ASN 513.A N ALA 510.A O no hydrogen 3.121 N/A ASN 513.A ND2 ASN 516.A O no hydrogen 2.741 N/A ASN 513.A ND2 ASN 518.A OD1 no hydrogen 3.060 N/A GLY 515.A N ALA 510.A O no hydrogen 2.907 N/A ASN 516.A N ASN 513.A O no hydrogen 2.979 N/A ASN 516.A ND2 ASN 513.A O no hydrogen 3.587 N/A ILE 517.A N LYS 532.A O no hydrogen 2.773 N/A ASN 518.A ND2 THR 327.A O no hydrogen 3.175 N/A ALA 519.A N LYS 529.A O no hydrogen 2.919 N/A HIS 521.A N GLY 328.A O no hydrogen 2.914 N/A HIS 521.A ND1 ALA 519.A O no hydrogen 2.993 N/A LEU 522.A N ASP 468.A OD1 no hydrogen 3.237 N/A LEU 522.A N ASP 468.A OD2 no hydrogen 2.825 N/A LEU 523.A N ASP 468.A OD1 no hydrogen 2.946 N/A LYS 524.A N GLN 298.A O no hydrogen 2.868 N/A THR 526.A N LEU 523.A O no hydrogen 3.172 N/A THR 526.A OG1 ASP 468.A OD1 no hydrogen 2.602 N/A TRP 531.A N ILE 517.A O no hydrogen 2.593 N/A TRP 531.A NE1 GLU 463.A OE2 no hydrogen 3.270 N/A LYS 532.A N ILE 517.A O no hydrogen 2.997 N/A LYS 532.A NZ GLU 463.A OE1 no hydrogen 2.394 N/A ASN 534.A N ASN 516.A OD1 no hydrogen 2.529 N/A ILE 535.A N GLY 515.A O no hydrogen 2.672 N/A ASN 540.A N SER 537.A OG no hydrogen 3.146 N/A ILE 541.A N SER 537.A O no hydrogen 2.846 N/A ASN 542.A N LYS 538.A O no hydrogen 3.200 N/A LEU 543.A N GLU 539.A O no hydrogen 3.186 N/A LEU 544.A N ASN 540.A O no hydrogen 3.078 N/A THR 545.A N ILE 541.A O no hydrogen 2.889 N/A THR 545.A OG1 ILE 541.A O no hydrogen 3.263 N/A THR 545.A OG1 ASN 542.A O no hydrogen 3.318 N/A ASP 546.A N ASN 542.A O no hydrogen 3.136 N/A GLY 547.A N LEU 543.A O no hydrogen 3.355 N/A MET 548.A N LEU 544.A O no hydrogen 3.022 N/A GLN 549.A N THR 545.A O no hydrogen 2.946 N/A VAL 551.A N GLY 547.A O no hydrogen 3.374 N/A VAL 551.A N MET 548.A O no hydrogen 3.257 N/A VAL 552.A N GLN 549.A O no hydrogen 3.229 N/A ASN 553.A N GLN 549.A O no hydrogen 2.865 N/A LYS 554.A N GLN 550.A O no hydrogen 2.849 N/A THR 555.A N GLN 550.A O no hydrogen 3.406 N/A THR 555.A OG1 GLU 433.A O no hydrogen 2.750 N/A HIS 556.A N VAL 551.A O no hydrogen 2.865 N/A HIS 556.A ND1 ASP 559.A OD2 no hydrogen 2.967 N/A LYS 557.A N LYS 554.A O no hydrogen 3.356 N/A ASP 559.A N HIS 556.A O no hydrogen 2.866 N/A ILE 560.A N HIS 556.A O no hydrogen 2.972 N/A ARG 562.A NE ASP 621.A OD1 no hydrogen 2.822 N/A ARG 562.A NE ASP 621.A OD2 no hydrogen 3.478 N/A ARG 562.A NH1 ASP 559.A O no hydrogen 3.202 N/A ARG 562.A NH1 TYR 561.A O no hydrogen 3.011 N/A ARG 562.A NH2 ASP 621.A OD2 no hydrogen 3.062 N/A TYR 564.A OH ASP 621.A OD1 no hydrogen 2.678 N/A ASN 566.A N ASP 588.A OD2 no hydrogen 3.077 N/A ASN 566.A ND2 ASP 590.A OD1 no hydrogen 3.257 N/A ILE 568.A N TYR 587.A O no hydrogen 2.988 N/A GLY 569.A N MET 548.A O no hydrogen 3.088 N/A LYS 570.A N ILE 585.A O no hydrogen 2.807 N/A LYS 570.A NZ SER 435.A OG no hydrogen 2.933 N/A SER 571.A OG HIS 556.A NE2 no hydrogen 3.095 N/A GLY 572.A N TRP 583.A O no hydrogen 3.297 N/A ALA 574.A N ILE 581.A O no hydrogen 3.056 N/A LEU 576.A N ARG 579.A O no hydrogen 2.711 N/A ARG 579.A N ASP 602.A OD1 no hydrogen 2.866 N/A GLN 580.A N GLN 604.A OE1 no hydrogen 2.846 N/A GLN 580.A NE2 GLU 575.A OE1 no hydrogen 2.292 N/A ILE 581.A N ALA 574.A O no hydrogen 2.821 N/A GLY 582.A N VAL 600.A O no hydrogen 2.820 N/A TRP 583.A N GLY 572.A O no hydrogen 3.080 N/A PHE 584.A N ILE 598.A O no hydrogen 2.963 N/A ILE 585.A N LYS 570.A O no hydrogen 2.901 N/A SER 586.A N MET 596.A O no hydrogen 2.942 N/A SER 586.A OG TYR 620.A OH no hydrogen 2.895 N/A TYR 587.A N ILE 568.A O no hydrogen 3.169 N/A TYR 587.A OH GLU 512.A OE1 no hydrogen 2.988 N/A LYS 589.A N ASN 566.A O no hydrogen 2.931 N/A ASP 590.A N ASP 588.A OD2 no hydrogen 3.130 N/A ASN 591.A N ASP 588.A O no hydrogen 2.950 N/A ASN 591.A ND2 TYR 624.A OH no hydrogen 2.996 N/A ASN 591.A ND2 TYR 631.A O no hydrogen 2.999 N/A ASN 593.A N ASN 591.A O no hydrogen 2.848 N/A ASN 593.A ND2 TYR 631.A O no hydrogen 2.764 N/A MET 595.A N ILE 323.A O no hydrogen 2.948 N/A MET 596.A N SER 586.A O no hydrogen 2.822 N/A ALA 597.A N THR 321.A O no hydrogen 2.787 N/A ILE 598.A N PHE 584.A O no hydrogen 2.907 N/A ASN 599.A N SER 319.A O no hydrogen 2.984 N/A ASN 599.A ND2 GLY 582.A O no hydrogen 2.940 N/A VAL 600.A N GLY 582.A O no hydrogen 2.974 N/A LYS 601.A N TYR 317.A O no hydrogen 2.957 N/A VAL 603.A N GLN 580.A O no hydrogen 2.942 N/A GLN 604.A N GLN 604.A OE1 no hydrogen 2.725 N/A GLN 604.A NE2 ASP 602.A OD1 no hydrogen 3.047 N/A LYS 606.A N VAL 603.A O no hydrogen 2.855 N/A LYS 606.A NZ ASP 602.A O no hydrogen 3.060 N/A MET 608.A N VAL 603.A O no hydrogen 2.986 N/A SER 610.A N GLY 607.A O no hydrogen 3.029 N/A SER 610.A OG ASP 559.A OD2 no hydrogen 2.953 N/A SER 610.A OG GLY 607.A O no hydrogen 3.467 N/A TYR 611.A N MET 608.A O no hydrogen 3.123 N/A TYR 611.A OH ASP 316.A OD1 no hydrogen 3.121 N/A TYR 611.A OH ASP 316.A OD2 no hydrogen 2.703 N/A ALA 613.A N ALA 609.A O no hydrogen 3.246 N/A LYS 614.A N SER 610.A O no hydrogen 2.794 N/A LYS 614.A NZ ASP 559.A OD1 no hydrogen 2.690 N/A ILE 615.A N TYR 611.A O no hydrogen 3.051 N/A SER 616.A N ASN 612.A O no hydrogen 3.072 N/A SER 616.A OG ASN 612.A O no hydrogen 2.839 N/A GLY 617.A N ALA 613.A O no hydrogen 2.926 N/A LYS 618.A N LYS 614.A O no hydrogen 3.012 N/A VAL 619.A N ILE 615.A O no hydrogen 3.091 N/A TYR 620.A N SER 616.A O no hydrogen 3.066 N/A TYR 620.A OH SER 586.A OG no hydrogen 2.895 N/A ASP 621.A N GLY 617.A O no hydrogen 2.983 N/A GLU 622.A N LYS 618.A O no hydrogen 3.132 N/A LEU 623.A N VAL 619.A O no hydrogen 2.922 N/A TYR 624.A N TYR 620.A O no hydrogen 2.789 N/A TYR 624.A OH ASP 588.A OD1 no hydrogen 2.632 N/A GLU 625.A N GLU 622.A O no hydrogen 3.416 N/A ASN 626.A N ASP 621.A O no hydrogen 2.771 N/A GLY 627.A N TYR 624.A O no hydrogen 2.771 N/A ASN 628.A N GLU 625.A O no hydrogen 3.202 N/A LYS 629.A N TYR 624.A O no hydrogen 3.149 N/A LYS 629.A NZ GLU 635.A OE1 no hydrogen 3.006 N/A TYR 631.A OH ASP 302.A OD2 no hydrogen 2.627 N/A ASP 634.A N ASP 632.A OD1 no hydrogen 2.915 N/A GLU 635.A N ASP 632.A O no hydrogen 3.242 N/A