Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q6x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLU 3.A O no hydrogen 3.025 N/A LYS 8.A NZ GLN 62.A O no hydrogen 2.827 N/A LYS 8.A NZ THR 65.A O no hydrogen 2.709 N/A GLN 15.A NE2 GLY 45.A O no hydrogen 3.143 N/A THR 17.A N PRO 13.A O no hydrogen 3.228 N/A THR 17.A OG1 HIS 498.A ND1 no hydrogen 2.591 N/A LEU 18.A N LEU 14.A O no hydrogen 2.988 N/A ALA 19.A N GLN 15.A O no hydrogen 2.858 N/A THR 20.A N GLN 16.A O no hydrogen 2.878 N/A THR 20.A OG1 GLN 16.A O no hydrogen 3.238 N/A TYR 21.A N THR 17.A O no hydrogen 2.958 N/A LEU 22.A N LEU 18.A O no hydrogen 3.134 N/A GLN 23.A N ALA 19.A O no hydrogen 3.161 N/A CYS 24.A N THR 20.A O no hydrogen 2.872 N/A CYS 24.A SG THR 20.A O no hydrogen 3.512 N/A MET 25.A N TYR 21.A O no hydrogen 3.148 N/A GLN 26.A N LEU 22.A O no hydrogen 3.004 N/A HIS 27.A NE2 ALA 448.A O no hydrogen 2.763 N/A LEU 28.A N MET 25.A O no hydrogen 2.704 N/A PHE 34.A N PRO 30.A O no hydrogen 2.981 N/A ARG 35.A N GLU 31.A O no hydrogen 3.193 N/A SER 37.A N GLN 33.A O no hydrogen 3.126 N/A SER 37.A OG GLN 33.A O no hydrogen 3.386 N/A SER 37.A OG ASP 519.A OD1 no hydrogen 2.553 N/A SER 37.A OG ASP 519.A OD2 no hydrogen 3.462 N/A SER 37.A OG THR 521.A OG1 no hydrogen 2.525 N/A GLN 38.A N PHE 34.A O no hydrogen 2.933 N/A ALA 39.A N ARG 35.A O no hydrogen 3.358 N/A ILE 40.A N LYS 36.A O no hydrogen 2.854 N/A VAL 41.A N SER 37.A O no hydrogen 2.673 N/A LYS 42.A N GLN 38.A O no hydrogen 2.937 N/A ARG 43.A N ALA 39.A O no hydrogen 2.949 N/A ARG 43.A NE GLU 515.A OE1 no hydrogen 3.118 N/A ARG 43.A NH2 GLU 515.A OE2 no hydrogen 3.224 N/A PHE 44.A N ILE 40.A O no hydrogen 2.904 N/A GLY 45.A N VAL 41.A O no hydrogen 2.742 N/A GLY 48.A N GLU 52.A OE1 no hydrogen 2.917 N/A GLY 49.A N ALA 46.A O no hydrogen 2.828 N/A GLY 51.A N PHE 44.A O no hydrogen 2.961 N/A THR 53.A N GLY 49.A O no hydrogen 3.335 N/A THR 53.A OG1 GLY 49.A O no hydrogen 3.064 N/A LEU 54.A N LEU 50.A O no hydrogen 2.941 N/A GLN 55.A N GLY 51.A O no hydrogen 2.868 N/A GLN 55.A NE2 PRO 12.A O no hydrogen 2.864 N/A GLU 56.A N GLU 52.A O no hydrogen 3.052 N/A LYS 57.A N THR 53.A O no hydrogen 3.230 N/A LEU 58.A N LEU 54.A O no hydrogen 2.826 N/A LEU 59.A N GLN 55.A O no hydrogen 3.001 N/A GLU 60.A N GLU 56.A O no hydrogen 3.210 N/A ARG 61.A N LYS 57.A O no hydrogen 2.972 N/A ARG 61.A NE TRP 68.A O no hydrogen 3.010 N/A ARG 61.A NH2 GLU 71.A OE2 no hydrogen 3.565 N/A GLN 62.A N LEU 58.A O no hydrogen 2.875 N/A GLN 62.A NE2 LEU 9.A O no hydrogen 2.913 N/A GLU 63.A N LEU 59.A O no hydrogen 3.298 N/A GLU 63.A N GLU 60.A O no hydrogen 3.195 N/A LYS 64.A N GLU 60.A O no hydrogen 3.294 N/A LYS 64.A N ARG 61.A O no hydrogen 3.177 N/A THR 65.A N ARG 61.A O no hydrogen 3.034 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.948 N/A ASN 67.A ND2 GLN 438.A O no hydrogen 2.986 N/A TRP 68.A NE1 LEU 9.A O no hydrogen 2.937 N/A VAL 69.A N ASN 67.A OD1 no hydrogen 2.786 N/A SER 70.A N ASN 67.A OD1 no hydrogen 3.195 N/A SER 70.A OG GLU 439.A OE1 no hydrogen 3.067 N/A TRP 73.A N VAL 69.A O no hydrogen 2.670 N/A LEU 74.A N SER 70.A O no hydrogen 2.860 N/A ASN 75.A N GLU 71.A O no hydrogen 3.188 N/A ASP 76.A N TYR 72.A O no hydrogen 3.017 N/A MET 77.A N TRP 73.A O no hydrogen 2.882 N/A TYR 78.A N LEU 74.A O no hydrogen 3.221 N/A LEU 79.A N LEU 74.A O no hydrogen 3.141 N/A ASN 80.A N ASN 75.A O no hydrogen 2.884 N/A ASN 81.A N TYR 78.A O no hydrogen 2.926 N/A ARG 82.A NH1 ASP 163.A OD1 no hydrogen 3.517 N/A LEU 83.A N ASN 81.A OD1 no hydrogen 3.220 N/A ASN 88.A N PRO 86.A O no hydrogen 2.703 N/A ASN 88.A ND2 ALA 84.A O no hydrogen 3.070 N/A SER 89.A N LEU 85.A O no hydrogen 2.949 N/A SER 90.A N LEU 85.A O no hydrogen 2.906 N/A ALA 92.A N CYS 544.A O no hydrogen 2.961 N/A VAL 93.A N VAL 313.A O no hydrogen 2.848 N/A ILE 94.A N PHE 542.A O no hydrogen 2.805 N/A PHE 95.A N CYS 311.A O no hydrogen 3.015 N/A GLN 98.A N GLY 309.A O no hydrogen 2.969 N/A GLN 98.A NE2 ALA 96.A O no hydrogen 3.113 N/A GLN 101.A N ASP 105.A OD2 no hydrogen 3.174 N/A ASP 105.A N ASP 102.A O no hydrogen 3.004 N/A ASP 105.A N ASP 102.A OD1 no hydrogen 3.126 N/A GLN 106.A NE2 VAL 305.A O no hydrogen 2.911 N/A LEU 107.A N THR 103.A O no hydrogen 2.908 N/A ARG 108.A N ASN 104.A O no hydrogen 2.956 N/A PHE 109.A N ASP 105.A O no hydrogen 3.049 N/A ALA 110.A N GLN 106.A O no hydrogen 3.009 N/A ALA 111.A N LEU 107.A O no hydrogen 2.821 N/A CYS 112.A N ARG 108.A O no hydrogen 2.834 N/A CYS 112.A SG MET 336.A O no hydrogen 3.961 N/A LEU 113.A N PHE 109.A O no hydrogen 2.830 N/A ILE 114.A N ALA 110.A O no hydrogen 2.888 N/A SER 115.A N ALA 111.A O no hydrogen 3.073 N/A GLY 116.A N CYS 112.A O no hydrogen 3.026 N/A VAL 117.A N LEU 113.A O no hydrogen 3.060 N/A LEU 118.A N ILE 114.A O no hydrogen 3.035 N/A SER 119.A N SER 115.A O no hydrogen 3.116 N/A SER 119.A OG SER 115.A O no hydrogen 3.485 N/A TYR 120.A N GLY 116.A O no hydrogen 2.923 N/A LYS 121.A N VAL 117.A O no hydrogen 2.797 N/A LYS 121.A NZ ASP 125.A OD1 no hydrogen 3.380 N/A LYS 121.A NZ ASP 125.A OD2 no hydrogen 3.319 N/A LYS 121.A NZ GLU 177.A OE2 no hydrogen 3.299 N/A THR 122.A N LEU 118.A O no hydrogen 2.997 N/A THR 122.A N SER 119.A O no hydrogen 2.976 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.915 N/A LEU 123.A N SER 119.A O no hydrogen 3.127 N/A LEU 124.A N TYR 120.A O no hydrogen 3.196 N/A ASP 125.A N LYS 121.A O no hydrogen 3.005 N/A SER 126.A N THR 122.A O no hydrogen 3.342 N/A SER 126.A OG THR 122.A O no hydrogen 3.222 N/A SER 126.A OG LEU 123.A O no hydrogen 3.485 N/A SER 126.A OG SER 128.A OG no hydrogen 2.688 N/A HIS 127.A N LEU 124.A O no hydrogen 2.693 N/A SER 128.A N LEU 123.A O no hydrogen 2.824 N/A SER 128.A OG SER 126.A O no hydrogen 3.447 N/A SER 128.A OG SER 126.A OG no hydrogen 2.688 N/A ALA 134.A N GLN 141.A O no hydrogen 2.851 N/A GLN 141.A N ALA 134.A O no hydrogen 3.183 N/A LEU 143.A N ASP 132.A O no hydrogen 2.959 N/A CYS 144.A N ARG 435.A O no hydrogen 2.905 N/A MET 145.A N GLU 3.A OE2 no hydrogen 2.894 N/A GLN 147.A NE2 GLY 440.A O no hydrogen 3.605 N/A TYR 148.A N MET 145.A O no hydrogen 3.119 N/A TYR 148.A OH ASP 132.A OD2 no hydrogen 2.784 N/A TYR 149.A N LYS 146.A O no hydrogen 3.182 N/A ARG 150.A N GLN 147.A O no hydrogen 3.198 N/A ARG 150.A NE PRO 319.A O no hydrogen 3.012 N/A ARG 150.A NH2 PRO 319.A O no hydrogen 2.892 N/A LEU 151.A N TYR 148.A O no hydrogen 3.275 N/A SER 153.A OG TYR 149.A O no hydrogen 2.918 N/A SER 154.A OG ARG 150.A O no hydrogen 2.816 N/A TYR 155.A N VAL 166.A O no hydrogen 3.190 N/A ARG 156.A N ASP 298.A O no hydrogen 2.982 N/A ARG 156.A NE ASP 163.A OD2 no hydrogen 2.905 N/A ARG 156.A NH1 GLU 316.A OE2 no hydrogen 2.857 N/A ARG 156.A NH2 TYR 78.A O no hydrogen 2.786 N/A ARG 156.A NH2 ASP 163.A OD2 no hydrogen 3.384 N/A LEU 157.A N THR 164.A O no hydrogen 2.866 N/A GLY 159.A N ASP 163.A OD1 no hydrogen 3.016 N/A GLN 162.A NE2 ASN 80.A OD1 no hydrogen 2.797 N/A ASP 163.A N LEU 79.A O no hydrogen 3.004 N/A THR 164.A N LEU 157.A O no hydrogen 2.882 N/A VAL 166.A N TYR 155.A O no hydrogen 2.847 N/A GLN 168.A N SER 153.A O no hydrogen 2.786 N/A SER 170.A N GLN 168.A O no hydrogen 2.701 N/A HIS 178.A NE2 MET 255.A O no hydrogen 2.876 N/A VAL 179.A N LEU 190.A O no hydrogen 3.031 N/A ILE 180.A N CYS 261.A O no hydrogen 3.203 N/A VAL 181.A N PHE 188.A O no hydrogen 3.007 N/A ALA 182.A N VAL 263.A O no hydrogen 2.834 N/A CYS 183.A N GLN 186.A O no hydrogen 2.890 N/A CYS 184.A SG ALA 215.A O no hydrogen 3.738 N/A ASN 185.A N ASN 294.A OD1 no hydrogen 2.853 N/A GLN 186.A N CYS 183.A O no hydrogen 2.765 N/A GLN 186.A NE2 CYS 184.A O no hydrogen 3.399 N/A GLN 186.A NE2 LEU 222.A O no hydrogen 3.138 N/A PHE 188.A N VAL 181.A O no hydrogen 2.943 N/A VAL 189.A N ARG 356.A O no hydrogen 2.711 N/A LEU 190.A N VAL 179.A O no hydrogen 3.008 N/A VAL 192.A N GLU 177.A O no hydrogen 2.948 N/A ILE 194.A N ARG 197.A O no hydrogen 2.889 N/A ARG 198.A NH2 SER 119.A OG no hydrogen 2.874 N/A LEU 199.A N VAL 192.A O no hydrogen 3.127 N/A SER 200.A N ASP 203.A OD2 no hydrogen 3.109 N/A SER 200.A OG ASP 203.A OD2 no hydrogen 2.642 N/A ASP 203.A N SER 200.A OG no hydrogen 3.304 N/A LEU 204.A N SER 200.A O no hydrogen 3.000 N/A PHE 205.A N GLU 201.A O no hydrogen 3.098 N/A THR 206.A N GLY 202.A O no hydrogen 3.002 N/A THR 206.A OG1 GLY 202.A O no hydrogen 3.477 N/A GLN 207.A N ASP 203.A O no hydrogen 2.787 N/A GLN 207.A NE2 PRO 353.A O no hydrogen 2.944 N/A LEU 208.A N LEU 204.A O no hydrogen 2.850 N/A ARG 209.A N PHE 205.A O no hydrogen 3.134 N/A LYS 210.A N THR 206.A O no hydrogen 3.394 N/A LYS 210.A NZ GLN 207.A OE1 no hydrogen 3.090 N/A ILE 211.A N GLN 207.A O no hydrogen 3.199 N/A VAL 212.A N LEU 208.A O no hydrogen 2.928 N/A LYS 213.A N ARG 209.A O no hydrogen 3.099 N/A MET 214.A N LYS 210.A O no hydrogen 2.856 N/A ALA 215.A N ILE 211.A O no hydrogen 2.840 N/A SER 216.A N VAL 212.A O no hydrogen 3.061 N/A SER 216.A OG VAL 212.A O no hydrogen 2.636 N/A ASN 217.A N MET 214.A O no hydrogen 3.343 N/A ARG 221.A NE GLU 218.A OE1 no hydrogen 3.393 N/A ARG 221.A NH1 CYS 184.A O no hydrogen 2.920 N/A ARG 221.A NH2 GLU 218.A OE1 no hydrogen 3.370 N/A ARG 221.A NH2 GLU 218.A OE2 no hydrogen 2.935 N/A LEU 222.A N GLN 186.A OE1 no hydrogen 2.923 N/A ILE 225.A N PRO 223.A O no hydrogen 2.807 N/A LEU 227.A N PRO 224.A O no hydrogen 3.036 N/A LEU 228.A N ILE 225.A O no hydrogen 2.999 N/A THR 229.A N GLY 226.A O no hydrogen 2.885 N/A THR 229.A OG1 GLY 226.A O no hydrogen 2.681 N/A SER 230.A N LEU 227.A O no hydrogen 3.027 N/A SER 230.A OG LEU 227.A O no hydrogen 2.588 N/A ASP 231.A N LEU 228.A O no hydrogen 3.380 N/A GLY 232.A N ASP 231.A OD1 no hydrogen 2.580 N/A ARG 233.A N ARG 82.A O no hydrogen 3.041 N/A ARG 233.A NE ASP 163.A OD2 no hydrogen 2.666 N/A ARG 233.A NH1 ASP 298.A OD1 no hydrogen 3.178 N/A ARG 233.A NH2 ASP 163.A OD2 no hydrogen 3.164 N/A ARG 233.A NH2 ASP 298.A OD1 no hydrogen 2.980 N/A SER 234.A OG HIS 160.A O no hydrogen 2.711 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.776 N/A TRP 236.A N GLY 232.A O no hydrogen 2.921 N/A TRP 236.A NE1 ASP 298.A OD2 no hydrogen 2.685 N/A ALA 237.A N ARG 233.A O no hydrogen 3.018 N/A LYS 238.A N SER 234.A O no hydrogen 3.205 N/A ALA 239.A N GLU 235.A O no hydrogen 2.905 N/A ARG 240.A N TRP 236.A O no hydrogen 2.744 N/A ARG 240.A NH2 GLU 257.A OE2 no hydrogen 2.952 N/A THR 241.A N ALA 237.A O no hydrogen 3.072 N/A THR 241.A OG1 ALA 237.A O no hydrogen 2.861 N/A VAL 242.A N LYS 238.A O no hydrogen 3.150 N/A LEU 243.A N ALA 239.A O no hydrogen 3.175 N/A LEU 244.A N ARG 240.A O no hydrogen 3.086 N/A LYS 245.A N VAL 242.A O no hydrogen 3.193 N/A ASP 246.A N LEU 243.A O no hydrogen 3.183 N/A THR 248.A N ASP 246.A OD1 no hydrogen 2.730 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 3.059 N/A ASN 249.A ND2 LEU 243.A O no hydrogen 2.973 N/A ASN 249.A ND2 LYS 361.A O no hydrogen 3.197 N/A ARG 250.A N ASP 246.A O no hydrogen 3.115 N/A ARG 250.A NE LEU 244.A O no hydrogen 3.175 N/A ARG 250.A NH2 LEU 244.A O no hydrogen 3.112 N/A ASP 251.A N SER 247.A O no hydrogen 3.130 N/A SER 252.A N THR 248.A O no hydrogen 3.243 N/A SER 252.A OG THR 248.A O no hydrogen 3.443 N/A SER 252.A OG ARG 359.A O no hydrogen 2.705 N/A LEU 253.A N ASN 249.A O no hydrogen 2.842 N/A ASP 254.A N ARG 250.A O no hydrogen 3.171 N/A MET 255.A N ASP 251.A O no hydrogen 3.111 N/A ILE 256.A N SER 252.A O no hydrogen 3.193 N/A GLU 257.A N LEU 253.A O no hydrogen 2.839 N/A ARG 258.A N MET 255.A O no hydrogen 3.222 N/A ARG 258.A NE ASP 254.A OD1 no hydrogen 3.216 N/A ARG 258.A NE ASP 254.A OD2 no hydrogen 3.179 N/A ARG 258.A NH2 ASP 254.A OD2 no hydrogen 2.728 N/A CYS 259.A SG ILE 256.A O no hydrogen 3.446 N/A CYS 259.A SG CYS 261.A O no hydrogen 3.508 N/A ILE 260.A N HIS 178.A O no hydrogen 2.954 N/A CYS 261.A SG LEU 262.A O no hydrogen 3.985 N/A LEU 262.A N LEU 301.A O no hydrogen 3.066 N/A VAL 263.A N ILE 180.A O no hydrogen 2.949 N/A CYS 264.A N PHE 303.A O no hydrogen 2.686 N/A CYS 264.A SG ASN 294.A O no hydrogen 3.424 N/A LEU 265.A N ALA 182.A O no hydrogen 2.839 N/A GLY 267.A N ASN 291.A OD1 no hydrogen 2.998 N/A GLY 269.A N ASP 308.A OD2 no hydrogen 2.809 N/A HIS 277.A N SER 274.A OG no hydrogen 3.385 N/A HIS 277.A NE2 THR 270.A O no hydrogen 2.894 N/A ARG 278.A N SER 274.A O no hydrogen 2.953 N/A ARG 278.A NE LEU 273.A O no hydrogen 3.220 N/A ALA 279.A N ASP 275.A O no hydrogen 3.014 N/A LEU 280.A N THR 276.A O no hydrogen 3.029 N/A GLN 281.A N HIS 277.A O no hydrogen 3.348 N/A LEU 282.A N ARG 278.A O no hydrogen 3.255 N/A LEU 283.A N ALA 279.A O no hydrogen 2.916 N/A HIS 284.A N LEU 280.A O no hydrogen 3.108 N/A GLY 285.A N GLN 281.A O no hydrogen 2.794 N/A GLY 286.A N HIS 284.A ND1 no hydrogen 2.905 N/A GLY 287.A N HIS 284.A O no hydrogen 3.307 N/A LEU 290.A N GLY 287.A O no hydrogen 3.053 N/A ASN 291.A N GLY 285.A O no hydrogen 2.967 N/A ASN 291.A ND2 GLY 267.A O no hydrogen 3.464 N/A GLY 292.A N GLY 287.A O no hydrogen 2.749 N/A ASN 294.A N ASN 291.A O no hydrogen 2.970 N/A ASN 294.A ND2 ALA 182.A O no hydrogen 3.230 N/A ASN 294.A ND2 ASP 266.A OD1 no hydrogen 3.124 N/A ARG 295.A NH1 ASP 266.A OD1 no hydrogen 2.730 N/A ARG 295.A NH1 ASP 266.A OD2 no hydrogen 3.218 N/A ARG 295.A NH1 ASN 294.A O no hydrogen 2.853 N/A ARG 295.A NH2 ASP 266.A OD2 no hydrogen 2.762 N/A ARG 295.A NH2 GLN 281.A O no hydrogen 3.177 N/A TRP 296.A NE1 TYR 155.A OH no hydrogen 3.098 N/A TYR 297.A N THR 229.A OG1 no hydrogen 3.116 N/A LYS 299.A N TRP 296.A O no hydrogen 3.242 N/A LYS 299.A NZ PHE 152.A O no hydrogen 3.245 N/A LYS 299.A NZ SER 154.A O no hydrogen 3.000 N/A LYS 299.A NZ CYS 259.A O no hydrogen 2.947 N/A SER 300.A OG SER 154.A O no hydrogen 3.038 N/A GLN 302.A N VAL 314.A O no hydrogen 3.035 N/A PHE 303.A N LEU 262.A O no hydrogen 2.831 N/A VAL 304.A N GLY 312.A O no hydrogen 2.788 N/A VAL 305.A N CYS 264.A O no hydrogen 2.869 N/A GLY 306.A N THR 310.A O no hydrogen 2.873 N/A ARG 307.A N ASP 266.A O no hydrogen 3.141 N/A ARG 307.A NH1 ARG 307.A O no hydrogen 2.865 N/A GLY 309.A N GLY 306.A O no hydrogen 3.003 N/A THR 310.A N ASP 308.A OD1 no hydrogen 3.316 N/A THR 310.A OG1 ASP 308.A OD1 no hydrogen 3.339 N/A CYS 311.A SG GLY 309.A O no hydrogen 3.707 N/A GLY 312.A N VAL 304.A O no hydrogen 3.071 N/A VAL 313.A N VAL 93.A O no hydrogen 2.858 N/A VAL 314.A N GLN 302.A O no hydrogen 3.016 N/A CYS 315.A N PRO 91.A O no hydrogen 3.044 N/A GLU 316.A N SER 300.A O no hydrogen 2.897 N/A HIS 317.A ND1 HIS 317.A O no hydrogen 2.734 N/A SER 318.A N GLU 316.A OE2 no hydrogen 3.178 N/A SER 318.A OG GLU 316.A OE1 no hydrogen 2.498 N/A SER 318.A OG GLU 316.A OE2 no hydrogen 3.417 N/A ASP 321.A N GLN 147.A OE1 no hydrogen 2.791 N/A LEU 325.A N ASP 321.A O no hydrogen 3.249 N/A VAL 326.A N GLY 322.A O no hydrogen 2.889 N/A GLN 327.A N ILE 323.A O no hydrogen 3.134 N/A GLN 327.A NE2 ILE 323.A O no hydrogen 3.621 N/A CYS 328.A N VAL 324.A O no hydrogen 3.089 N/A THR 329.A N LEU 325.A O no hydrogen 2.935 N/A THR 329.A OG1 LEU 325.A O no hydrogen 3.338 N/A THR 329.A OG1 VAL 326.A O no hydrogen 2.974 N/A GLU 330.A N VAL 326.A O no hydrogen 2.935 N/A HIS 331.A N GLN 327.A O no hydrogen 3.137 N/A LEU 332.A N CYS 328.A O no hydrogen 3.016 N/A LEU 333.A N THR 329.A O no hydrogen 2.836 N/A LYS 334.A N GLU 330.A O no hydrogen 2.945 N/A HIS 335.A N HIS 331.A O no hydrogen 3.250 N/A HIS 335.A N LEU 332.A O no hydrogen 3.209 N/A MET 336.A N LEU 333.A O no hydrogen 3.001 N/A THR 338.A OG1 HIS 335.A O no hydrogen 3.158 N/A ARG 357.A NE GLN 186.A OE1 no hydrogen 3.507 N/A ARG 357.A NH1 MET 214.A O no hydrogen 3.322 N/A ARG 357.A NH2 GLN 186.A OE1 no hydrogen 3.021 N/A LEU 358.A N PHE 187.A O no hydrogen 2.949 N/A LYS 361.A N ASN 249.A OD1 no hydrogen 2.578 N/A CYS 362.A SG SER 363.A O no hydrogen 4.013 N/A SER 363.A OG GLU 365.A OE1 no hydrogen 3.476 N/A GLN 367.A N SER 363.A O no hydrogen 2.951 N/A GLY 368.A N PRO 364.A O no hydrogen 3.115 N/A HIS 369.A N GLU 365.A O no hydrogen 3.029 N/A LEU 370.A N THR 366.A O no hydrogen 2.921 N/A ALA 371.A N GLN 367.A O no hydrogen 3.258 N/A SER 372.A N GLY 368.A O no hydrogen 3.200 N/A SER 372.A OG GLY 368.A O no hydrogen 3.365 N/A SER 373.A N HIS 369.A O no hydrogen 2.993 N/A SER 373.A OG ASP 231.A OD2 no hydrogen 3.116 N/A SER 373.A OG HIS 369.A O no hydrogen 3.020 N/A ALA 374.A N LEU 370.A O no hydrogen 2.963 N/A GLU 375.A N ALA 371.A O no hydrogen 3.221 N/A LYS 376.A N SER 372.A O no hydrogen 2.939 N/A LYS 376.A NZ ASP 231.A OD1 no hydrogen 3.312 N/A LEU 377.A N SER 373.A O no hydrogen 2.809 N/A GLN 378.A N ALA 374.A O no hydrogen 3.226 N/A ARG 379.A N GLU 375.A O no hydrogen 3.219 N/A ARG 379.A NH2 GLU 375.A OE2 no hydrogen 3.128 N/A ILE 380.A N LYS 376.A O no hydrogen 3.432 N/A VAL 381.A N LEU 377.A O no hydrogen 2.963 N/A LYS 382.A N GLN 378.A O no hydrogen 2.866 N/A ASN 383.A N ARG 379.A O no hydrogen 2.909 N/A LEU 384.A N ILE 380.A O no hydrogen 3.108 N/A ASP 385.A N SER 570.A O no hydrogen 2.921 N/A ILE 387.A N ILE 568.A O no hydrogen 2.994 N/A VAL 388.A N THR 276.A OG1 no hydrogen 3.224 N/A TYR 389.A N PHE 566.A O no hydrogen 2.675 N/A LYS 390.A NZ ASP 275.A OD1 no hydrogen 2.471 N/A PHE 391.A N ILE 564.A O no hydrogen 2.884 N/A TYR 394.A OH LEU 590.A O no hydrogen 2.596 N/A LYS 396.A N GLN 560.A O no hydrogen 2.907 N/A THR 397.A N PRO 561.A O no hydrogen 3.212 N/A THR 397.A OG1 PRO 561.A O no hydrogen 3.485 N/A THR 397.A OG1 GLU 562.A OE2 no hydrogen 2.878 N/A ILE 399.A N GLY 395.A O no hydrogen 3.309 N/A LYS 400.A N LYS 396.A O no hydrogen 2.834 N/A LYS 401.A N THR 397.A O no hydrogen 3.070 N/A GLN 402.A N ILE 399.A O no hydrogen 3.077 N/A LYS 403.A N LYS 400.A O no hydrogen 2.891 N/A TYR 404.A N ILE 399.A O no hydrogen 3.305 N/A PHE 409.A N SER 405.A O no hydrogen 2.866 N/A ILE 410.A N PRO 406.A O no hydrogen 3.061 N/A GLN 411.A N ASP 407.A O no hydrogen 2.924 N/A GLN 411.A NE2 THR 532.A OG1 no hydrogen 3.001 N/A GLN 411.A NE2 TYR 557.A OH no hydrogen 2.931 N/A VAL 412.A N GLY 408.A O no hydrogen 2.930 N/A ALA 413.A N PHE 409.A O no hydrogen 3.073 N/A LEU 414.A N ILE 410.A O no hydrogen 2.973 N/A GLN 415.A N GLN 411.A O no hydrogen 3.167 N/A GLN 415.A NE2 THR 428.A OG1 no hydrogen 3.140 N/A LEU 416.A N VAL 412.A O no hydrogen 3.010 N/A ALA 417.A N ALA 413.A O no hydrogen 2.767 N/A TYR 418.A N LEU 414.A O no hydrogen 3.042 N/A TYR 419.A N GLN 415.A O no hydrogen 3.026 N/A TYR 419.A OH ASP 461.A OD2 no hydrogen 2.662 N/A ARG 420.A N LEU 416.A O no hydrogen 2.991 N/A ARG 420.A NH1 SER 589.A OG no hydrogen 3.220 N/A ARG 420.A NH1 ASP 592.A OD1 no hydrogen 3.031 N/A ARG 420.A NH2 ASP 592.A OD1 no hydrogen 3.214 N/A LEU 421.A N TYR 418.A O no hydrogen 3.209 N/A TYR 422.A N TYR 418.A O no hydrogen 2.965 N/A TYR 422.A OH TYR 553.A OH no hydrogen 2.671 N/A TYR 422.A OH GLU 576.A O no hydrogen 2.583 N/A GLN 423.A N TYR 419.A O no hydrogen 2.649 N/A GLN 423.A NE2 LEU 421.A O no hydrogen 3.478 N/A THR 428.A OG1 VAL 426.A O no hydrogen 2.916 N/A TYR 429.A N LEU 530.A O no hydrogen 2.846 N/A GLU 430.A N ASN 444.A OD1 no hydrogen 2.735 N/A SER 431.A N THR 532.A O no hydrogen 3.351 N/A ALA 432.A N ASP 443.A O no hydrogen 2.969 N/A ILE 434.A N ARG 441.A O no hydrogen 3.084 N/A ARG 435.A N SER 433.A OG no hydrogen 3.220 N/A ARG 435.A NE CYS 144.A O no hydrogen 3.086 N/A ARG 435.A NH2 ASP 132.A OD2 no hydrogen 2.980 N/A ARG 435.A NH2 CYS 144.A O no hydrogen 2.744 N/A PHE 437.A N ILE 434.A O no hydrogen 3.229 N/A GLN 438.A N PRO 7.A O no hydrogen 3.018 N/A GLN 438.A NE2 LEU 6.A O no hydrogen 2.807 N/A GLY 440.A N PHE 437.A O no hydrogen 2.968 N/A ARG 441.A NE ASP 321.A OD2 no hydrogen 3.116 N/A ARG 441.A NH1 SER 318.A O no hydrogen 3.048 N/A ARG 441.A NH2 HIS 317.A O no hydrogen 3.317 N/A ARG 441.A NH2 SER 318.A O no hydrogen 3.528 N/A ARG 441.A NH2 ASP 321.A OD1 no hydrogen 3.007 N/A ASP 443.A N ALA 432.A O no hydrogen 2.840 N/A ASN 444.A N ASP 443.A OD1 no hydrogen 2.756 N/A ASN 444.A ND2 THR 428.A O no hydrogen 3.598 N/A ASN 444.A ND2 ASP 496.A OD2 no hydrogen 3.343 N/A ILE 445.A N GLU 430.A O no hydrogen 3.000 N/A ARG 446.A NE ASP 496.A OD1 no hydrogen 2.887 N/A ARG 446.A NH1 SER 525.A O no hydrogen 3.179 N/A ARG 446.A NH2 ASP 496.A OD1 no hydrogen 3.292 N/A ARG 446.A NH2 SER 525.A O no hydrogen 3.136 N/A ARG 446.A NH2 ASN 526.A OD1 no hydrogen 3.482 N/A SER 447.A OG GLN 411.A OE1 no hydrogen 2.751 N/A THR 449.A N SER 447.A O no hydrogen 2.751 N/A THR 449.A OG1 GLU 451.A OE1 no hydrogen 3.474 N/A GLU 451.A N GLU 451.A OE1 no hydrogen 2.528 N/A ALA 452.A N THR 449.A OG1 no hydrogen 2.951 N/A LEU 453.A N THR 449.A O no hydrogen 3.004 N/A ALA 454.A N PRO 450.A O no hydrogen 3.082 N/A PHE 455.A N GLU 451.A O no hydrogen 3.136 N/A VAL 456.A N ALA 452.A O no hydrogen 2.959 N/A GLN 457.A N LEU 453.A O no hydrogen 3.111 N/A ALA 458.A N ALA 454.A O no hydrogen 3.261 N/A MET 459.A N PHE 455.A O no hydrogen 3.072 N/A THR 460.A N VAL 456.A O no hydrogen 3.152 N/A THR 460.A OG1 VAL 456.A O no hydrogen 3.098 N/A ASP 461.A N GLN 457.A O no hydrogen 2.750 N/A GLU 470.A N PRO 467.A O no hydrogen 3.224 N/A LYS 471.A N PRO 467.A O no hydrogen 3.382 N/A LYS 471.A NZ HIS 462.A NE2 no hydrogen 2.612 N/A LEU 472.A N ALA 468.A O no hydrogen 2.936 N/A GLN 473.A N GLU 470.A O no hydrogen 2.792 N/A LEU 474.A N GLU 470.A O no hydrogen 2.824 N/A LEU 475.A N LYS 471.A O no hydrogen 3.023 N/A GLN 476.A N LEU 472.A O no hydrogen 3.398 N/A THR 477.A N GLN 473.A O no hydrogen 3.160 N/A THR 477.A OG1 LEU 474.A O no hydrogen 2.768 N/A ALA 478.A N LEU 474.A O no hydrogen 3.011 N/A MET 479.A N LEU 475.A O no hydrogen 2.839 N/A GLN 480.A N GLN 476.A O no hydrogen 2.927 N/A GLN 480.A NE2 GLU 484.A OE1 no hydrogen 3.465 N/A ALA 481.A N THR 477.A O no hydrogen 2.983 N/A GLN 482.A N ALA 478.A O no hydrogen 3.063 N/A GLN 482.A NE2 SER 447.A OG no hydrogen 2.947 N/A THR 483.A N MET 479.A O no hydrogen 3.076 N/A THR 483.A OG1 MET 479.A O no hydrogen 3.061 N/A GLU 484.A N GLN 480.A O no hydrogen 3.016 N/A TYR 485.A N ALA 481.A O no hydrogen 2.936 N/A THR 486.A N GLN 482.A O no hydrogen 2.848 N/A THR 486.A OG1 GLN 482.A O no hydrogen 2.736 N/A VAL 487.A N THR 483.A O no hydrogen 3.013 N/A MET 488.A N GLU 484.A O no hydrogen 2.946 N/A ALA 489.A N TYR 485.A O no hydrogen 2.831 N/A ILE 490.A N THR 486.A O no hydrogen 3.015 N/A THR 491.A N VAL 487.A O no hydrogen 3.247 N/A THR 491.A OG1 VAL 487.A O no hydrogen 2.871 N/A THR 491.A OG1 MET 488.A O no hydrogen 3.299 N/A GLY 492.A N ALA 489.A O no hydrogen 2.993 N/A MET 493.A N MET 488.A O no hydrogen 2.767 N/A ASN 497.A N ASP 443.A OD1 no hydrogen 3.306 N/A ASN 497.A ND2 VAL 442.A O no hydrogen 3.216 N/A HIS 498.A ND1 THR 17.A OG1 no hydrogen 2.591 N/A HIS 498.A NE2 GLN 55.A OE1 no hydrogen 2.747 N/A LEU 499.A N ILE 495.A O no hydrogen 2.909 N/A LEU 500.A N ASP 496.A O no hydrogen 2.964 N/A ALA 501.A N ASN 497.A O no hydrogen 3.068 N/A LEU 502.A N HIS 498.A O no hydrogen 3.138 N/A ARG 503.A N LEU 499.A O no hydrogen 2.985 N/A ARG 503.A NE GLU 504.A OE2 no hydrogen 3.002 N/A ARG 503.A NH1 TYR 522.A OH no hydrogen 3.212 N/A ARG 503.A NH2 ASP 76.A OD1 no hydrogen 2.818 N/A ARG 503.A NH2 GLU 504.A OE2 no hydrogen 3.117 N/A GLU 504.A N LEU 500.A O no hydrogen 3.047 N/A LEU 505.A N ALA 501.A O no hydrogen 2.845 N/A ALA 506.A N LEU 502.A O no hydrogen 2.938 N/A ARG 507.A N ARG 503.A O no hydrogen 3.036 N/A ARG 507.A NE GLU 504.A OE1 no hydrogen 3.129 N/A ASP 508.A N GLU 504.A O no hydrogen 3.256 N/A LEU 509.A N ALA 506.A O no hydrogen 3.141 N/A CYS 510.A N ALA 506.A O no hydrogen 2.650 N/A PHE 517.A N PRO 514.A O no hydrogen 3.079 N/A MET 518.A N GLU 515.A O no hydrogen 3.400 N/A ASP 519.A N GLU 515.A O no hydrogen 3.188 N/A THR 521.A N ASP 519.A OD2 no hydrogen 3.081 N/A THR 521.A OG1 GLN 33.A OE1 no hydrogen 2.826 N/A THR 521.A OG1 SER 37.A OG no hydrogen 2.525 N/A THR 521.A OG1 ASP 519.A OD2 no hydrogen 3.562 N/A LEU 523.A N ASP 519.A O no hydrogen 3.224 N/A MET 524.A N GLU 520.A O no hydrogen 2.852 N/A SER 525.A N THR 521.A O no hydrogen 3.043 N/A SER 525.A OG TYR 522.A O no hydrogen 2.694 N/A ASN 526.A N LEU 523.A O no hydrogen 3.156 N/A ARG 527.A N MET 524.A O no hydrogen 3.111 N/A ARG 527.A NH1 GLU 520.A OE2 no hydrogen 2.883 N/A SER 531.A N TYR 553.A O no hydrogen 3.005 N/A THR 532.A N TYR 429.A O no hydrogen 2.795 N/A THR 532.A OG1 TYR 429.A O no hydrogen 3.104 N/A SER 533.A N ALA 555.A O no hydrogen 3.241 N/A SER 533.A OG TYR 545.A OH no hydrogen 2.654 N/A VAL 535.A N TYR 557.A O no hydrogen 3.034 N/A THR 537.A N ASN 558.A OD1 no hydrogen 3.131 N/A THR 537.A OG1 MET 539.A O no hydrogen 2.930 N/A THR 537.A OG1 MET 541.A O no hydrogen 3.402 N/A THR 538.A N GLU 330.A OE1 no hydrogen 2.694 N/A THR 538.A OG1 GLU 330.A OE1 no hydrogen 3.176 N/A THR 538.A OG1 GLU 330.A OE2 no hydrogen 2.909 N/A MET 541.A N MET 539.A O no hydrogen 2.812 N/A PHE 542.A N ILE 94.A O no hydrogen 3.213 N/A CYS 543.A SG ALA 92.A O no hydrogen 3.966 N/A CYS 544.A N ALA 92.A O no hydrogen 2.867 N/A CYS 544.A SG ALA 92.A O no hydrogen 3.830 N/A TYR 545.A OH SER 533.A OG no hydrogen 2.654 N/A GLY 546.A N VAL 87.A O no hydrogen 3.074 N/A GLY 552.A N VAL 549.A O no hydrogen 2.859 N/A TYR 553.A N VAL 529.A O no hydrogen 2.644 N/A TYR 553.A OH TYR 422.A OH no hydrogen 2.671 N/A TYR 553.A OH SER 578.A O no hydrogen 3.406 N/A GLY 554.A N SER 569.A O no hydrogen 3.055 N/A ALA 555.A N SER 531.A O no hydrogen 2.794 N/A CYS 556.A N CYS 567.A O no hydrogen 2.985 N/A CYS 556.A SG SER 533.A O no hydrogen 3.967 N/A CYS 556.A SG CYS 543.A O no hydrogen 3.379 N/A TYR 557.A N SER 533.A O no hydrogen 3.169 N/A TYR 557.A OH ASP 407.A OD1 no hydrogen 2.591 N/A ASN 558.A N THR 565.A O no hydrogen 2.807 N/A ASN 558.A ND2 THR 537.A OG1 no hydrogen 3.136 N/A ASN 558.A ND2 MET 541.A O no hydrogen 3.601 N/A GLN 560.A N ALA 563.A O no hydrogen 2.675 N/A ILE 564.A N PHE 391.A O no hydrogen 2.916 N/A THR 565.A N ASN 558.A O no hydrogen 3.130 N/A PHE 566.A N TYR 389.A O no hydrogen 2.731 N/A CYS 567.A N CYS 556.A O no hydrogen 2.766 N/A CYS 567.A SG CYS 543.A O no hydrogen 3.598 N/A ILE 568.A N ILE 387.A O no hydrogen 2.996 N/A SER 569.A N GLY 554.A O no hydrogen 2.986 N/A SER 569.A OG TYR 545.A O no hydrogen 2.820 N/A SER 569.A OG GLY 554.A O no hydrogen 3.511 N/A SER 570.A N ASP 385.A O no hydrogen 3.051 N/A SER 570.A OG SER 579.A OG no hydrogen 2.692 N/A HIS 572.A N ASN 383.A O no hydrogen 2.906 N/A SER 573.A OG ASN 383.A OD1 no hydrogen 3.307 N/A CYS 574.A N PHE 571.A O no hydrogen 3.017 N/A CYS 574.A SG GLU 576.A OE1 no hydrogen 3.780 N/A THR 577.A N CYS 574.A O no hydrogen 3.198 N/A THR 577.A OG1 CYS 574.A O no hydrogen 3.234 N/A SER 578.A N TYR 553.A OH no hydrogen 2.930 N/A SER 579.A N ASP 385.A OD2 no hydrogen 3.188 N/A SER 579.A OG ASP 385.A O no hydrogen 2.757 N/A SER 579.A OG SER 570.A OG no hydrogen 2.692 N/A PHE 582.A N SER 578.A O no hydrogen 3.144 N/A ALA 583.A N SER 579.A O no hydrogen 3.123 N/A GLU 584.A N VAL 580.A O no hydrogen 3.053 N/A ALA 585.A N GLU 581.A O no hydrogen 2.949 N/A VAL 586.A N PHE 582.A O no hydrogen 2.870 N/A GLY 587.A N ALA 583.A O no hydrogen 2.941 N/A ALA 588.A N GLU 584.A O no hydrogen 2.934 N/A SER 589.A N ALA 585.A O no hydrogen 2.994 N/A SER 589.A OG ALA 585.A O no hydrogen 2.933 N/A LEU 590.A N VAL 586.A O no hydrogen 3.053 N/A VAL 591.A N GLY 587.A O no hydrogen 3.096 N/A ASP 592.A N ALA 588.A O no hydrogen 2.891 N/A MET 593.A N SER 589.A O no hydrogen 2.953 N/A ARG 594.A N LEU 590.A O no hydrogen 3.200 N/A ARG 594.A N VAL 591.A O no hydrogen 3.173 N/A ASP 595.A N VAL 591.A O no hydrogen 3.067 N/A LEU 596.A N ASP 592.A O no hydrogen 3.097 N/A CYS 597.A N MET 593.A O no hydrogen 3.255 N/A CYS 597.A SG MET 593.A O no hydrogen 3.605 N/A SER 598.A N ARG 594.A O no hydrogen 2.991 N/A SER 598.A OG ARG 594.A O no hydrogen 2.956 N/A SER 599.A N LEU 596.A O no hydrogen 3.180 N/A SER 599.A OG SER 599.A O no hydrogen 2.557 N/A