Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k5m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASP 3.A OD2 no hydrogen 3.506 N/A ILE 5.A N ASN 1.A O no hydrogen 3.411 N/A GLY 6.A N LEU 2.A O no hydrogen 2.800 N/A ARG 8.A N ILE 5.A O no hydrogen 3.093 N/A ARG 8.A NH1 CYS 148.A O no hydrogen 3.339 N/A ARG 8.A NH1 ASN 257.A O no hydrogen 3.180 N/A ARG 8.A NH2 ILE 4.A O no hydrogen 3.027 N/A ARG 8.A NH2 LEU 253.A O no hydrogen 2.816 N/A ARG 8.A NH2 ASN 257.A O no hydrogen 3.300 N/A ILE 9.A N ILE 5.A O no hydrogen 3.208 N/A GLU 10.A N GLY 6.A O no hydrogen 2.916 N/A LYS 11.A N LYS 7.A O no hydrogen 3.306 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 2.894 N/A LYS 13.A N ILE 9.A O no hydrogen 3.000 N/A GLN 14.A N GLU 10.A O no hydrogen 3.037 N/A GLU 15.A N LYS 11.A O no hydrogen 3.095 N/A HIS 16.A N LYS 13.A O no hydrogen 3.209 N/A SER 19.A N HIS 16.A O no hydrogen 3.113 N/A TRP 20.A N HIS 16.A O no hydrogen 2.806 N/A HIS 21.A N SER 36.A O no hydrogen 3.051 N/A HIS 21.A ND1 SER 19.A O no hydrogen 2.794 N/A ASP 23.A N TYR 33.A OH no hydrogen 3.087 N/A HIS 26.A ND1 ASP 23.A O no hydrogen 2.798 N/A TYR 28.A OH ASP 269.A OD2 no hydrogen 2.849 N/A THR 30.A N ASP 70.A OD1 no hydrogen 3.106 N/A THR 30.A OG1 ASP 70.A OD1 no hydrogen 2.676 N/A THR 30.A OG1 THR 71.A O no hydrogen 3.558 N/A ALA 32.A N SER 272.A O no hydrogen 2.783 N/A TYR 33.A OH SER 36.A OG no hydrogen 2.684 N/A HIS 34.A N ILE 270.A O no hydrogen 2.982 N/A SER 36.A N HIS 21.A O no hydrogen 2.830 N/A SER 36.A OG TYR 33.A OH no hydrogen 2.684 N/A SER 36.A OG ASP 269.A OD1 no hydrogen 2.715 N/A TYR 37.A N MET 268.A O no hydrogen 3.110 N/A THR 39.A N THR 266.A O no hydrogen 2.919 N/A THR 39.A OG1 THR 266.A O no hydrogen 3.431 N/A SER 42.A OG ALA 65.A O no hydrogen 3.460 N/A MET 43.A N SER 415.A O no hydrogen 3.086 N/A ASN 45.A N ARG 413.A O no hydrogen 2.725 N/A ASN 45.A ND2 THR 425.A O no hydrogen 3.187 N/A VAL 48.A N ASN 45.A OD1 no hydrogen 3.140 N/A ARG 49.A N ASN 45.A O no hydrogen 3.031 N/A LEU 50.A N GLY 46.A O no hydrogen 2.995 N/A LEU 51.A N VAL 48.A O no hydrogen 3.073 N/A THR 52.A N ARG 49.A O no hydrogen 3.215 N/A THR 52.A OG1 VAL 48.A O no hydrogen 2.728 N/A THR 52.A OG1 ARG 49.A O no hydrogen 3.493 N/A TRP 55.A N THR 52.A O no hydrogen 3.072 N/A ASP 56.A N LYS 53.A O no hydrogen 2.924 N/A VAL 58.A N TRP 55.A O no hydrogen 3.082 N/A VAL 61.A N VAL 58.A O no hydrogen 2.918 N/A THR 62.A N VAL 58.A O no hydrogen 3.063 N/A THR 62.A OG1 VAL 58.A O no hydrogen 3.527 N/A THR 62.A OG1 PRO 59.A O no hydrogen 3.546 N/A GLN 63.A N PRO 59.A O no hydrogen 2.864 N/A MET 64.A N VAL 61.A O no hydrogen 3.286 N/A MET 66.A N GLN 63.A O no hydrogen 3.013 N/A LYS 77.A N ASP 357.A OD2 no hydrogen 2.813 N/A THR 80.A OG1 ASP 357.A OD2 no hydrogen 2.683 N/A LYS 81.A N LYS 77.A O no hydrogen 3.063 N/A LYS 81.A NZ GLU 75.A OE2 no hydrogen 2.800 N/A LYS 81.A NZ GLU 78.A OE2 no hydrogen 3.193 N/A LYS 82.A N GLU 78.A O no hydrogen 3.083 N/A LYS 82.A NZ GLU 314.A OE1 no hydrogen 2.939 N/A LYS 82.A NZ GLU 314.A OE2 no hydrogen 3.117 N/A LEU 83.A N GLY 79.A O no hydrogen 2.933 N/A MET 84.A N THR 80.A O no hydrogen 2.867 N/A LYS 85.A N LYS 81.A O no hydrogen 3.177 N/A LYS 85.A NZ GLU 227.A OE2 no hydrogen 2.996 N/A LYS 85.A NZ ASN 231.A OD1 no hydrogen 3.227 N/A ILE 86.A N LYS 82.A O no hydrogen 2.944 N/A THR 87.A N LEU 83.A O no hydrogen 2.994 N/A THR 87.A OG1 LEU 83.A O no hydrogen 2.740 N/A ALA 88.A N MET 84.A O no hydrogen 2.765 N/A GLU 89.A N LYS 85.A O no hydrogen 3.056 N/A TRP 90.A N ILE 86.A O no hydrogen 3.087 N/A LEU 91.A N THR 87.A O no hydrogen 2.764 N/A TRP 92.A N ALA 88.A O no hydrogen 2.938 N/A TRP 92.A NE1 ASN 231.A O no hydrogen 3.116 N/A LYS 93.A N GLU 89.A O no hydrogen 3.316 N/A LYS 93.A NZ GLU 89.A OE2 no hydrogen 2.839 N/A GLU 94.A N TRP 90.A O no hydrogen 3.144 N/A LEU 95.A N LEU 91.A O no hydrogen 2.966 N/A GLY 96.A N TRP 92.A O no hydrogen 2.957 N/A LYS 97.A NZ GLU 94.A OE1 no hydrogen 2.801 N/A LYS 97.A NZ GLU 94.A OE2 no hydrogen 3.357 N/A LYS 99.A N GLY 96.A O no hydrogen 3.286 N/A LYS 99.A NZ ASP 177.A O no hydrogen 2.980 N/A ARG 102.A NE ASP 177.A OD1 no hydrogen 3.435 N/A ARG 102.A NE ASP 177.A OD2 no hydrogen 2.797 N/A ARG 102.A NH1 MET 103.A O no hydrogen 3.323 N/A ARG 102.A NH1 GLU 108.A OE1 no hydrogen 2.726 N/A ARG 102.A NH1 GLU 108.A OE2 no hydrogen 3.232 N/A ARG 102.A NH2 GLU 108.A OE2 no hydrogen 3.122 N/A ARG 102.A NH2 ASP 177.A OD1 no hydrogen 2.803 N/A CYS 104.A N GLU 169.A O no hydrogen 2.900 N/A THR 105.A N GLU 108.A OE1 no hydrogen 2.986 N/A THR 105.A OG1 GLU 108.A OE1 no hydrogen 3.519 N/A ARG 106.A NH2 ASP 134.A OD1 no hydrogen 2.773 N/A GLU 108.A N THR 105.A OG1 no hydrogen 3.146 N/A PHE 109.A N THR 105.A O no hydrogen 2.840 N/A THR 110.A N ARG 106.A O no hydrogen 2.733 N/A THR 110.A OG1 ARG 106.A O no hydrogen 2.719 N/A ARG 111.A N GLU 107.A O no hydrogen 2.854 N/A LYS 112.A N GLU 108.A O no hydrogen 2.945 N/A VAL 113.A N PHE 109.A O no hydrogen 2.981 N/A ARG 114.A N THR 110.A O no hydrogen 3.052 N/A SER 115.A N LYS 112.A O no hydrogen 2.978 N/A SER 115.A OG ARG 111.A O no hydrogen 3.500 N/A TRP 117.A NE1 ASP 126.A OD1 no hydrogen 3.060 N/A LYS 118.A N GLU 122.A OE1 no hydrogen 3.095 N/A ARG 121.A N SER 119.A OG no hydrogen 3.345 N/A ARG 121.A NH2 ARG 114.A O no hydrogen 3.256 N/A ALA 123.A N SER 119.A O no hydrogen 3.233 N/A VAL 124.A N ALA 120.A O no hydrogen 3.053 N/A ASP 126.A N ALA 123.A O no hydrogen 3.120 N/A PHE 129.A N ASP 126.A O no hydrogen 3.180 N/A TRP 130.A NE1 VAL 124.A O no hydrogen 2.822 N/A GLU 131.A N SER 127.A O no hydrogen 3.201 N/A LEU 132.A N ARG 128.A O no hydrogen 3.038 N/A VAL 133.A N PHE 129.A O no hydrogen 2.993 N/A ASP 134.A N TRP 130.A O no hydrogen 2.919 N/A LYS 135.A N GLU 131.A O no hydrogen 3.070 N/A GLU 136.A N LEU 132.A O no hydrogen 3.073 N/A ARG 137.A N VAL 133.A O no hydrogen 2.796 N/A ASN 138.A N ASP 134.A O no hydrogen 2.969 N/A LEU 139.A N LYS 135.A O no hydrogen 3.282 N/A HIS 140.A N GLU 136.A O no hydrogen 3.081 N/A LEU 141.A N ARG 137.A O no hydrogen 3.092 N/A GLU 142.A N LEU 139.A O no hydrogen 3.248 N/A GLY 143.A N HIS 140.A O no hydrogen 3.078 N/A LYS 144.A N LEU 139.A O no hydrogen 2.816 N/A LYS 144.A NZ GLU 142.A OE1 no hydrogen 3.032 N/A CYS 145.A SG GLU 136.A OE1 no hydrogen 3.732 N/A CYS 145.A SG HIS 140.A NE2 no hydrogen 3.749 N/A GLU 146.A N GLU 136.A OE1 no hydrogen 2.855 N/A THR 147.A OG1 GLU 136.A OE2 no hydrogen 2.715 N/A CYS 148.A SG HIS 140.A NE2 no hydrogen 3.481 N/A VAL 149.A N THR 147.A O no hydrogen 2.891 N/A TYR 150.A N VAL 259.A O no hydrogen 2.909 N/A ASN 151.A N TYR 158.A O no hydrogen 2.813 N/A MET 152.A N ARG 261.A O no hydrogen 3.082 N/A MET 153.A N ILE 156.A O no hydrogen 2.810 N/A TRP 157.A N SER 279.A O no hydrogen 3.492 N/A TYR 158.A N ASN 151.A O no hydrogen 2.925 N/A TRP 160.A NE1 THR 147.A OG1 no hydrogen 3.184 N/A ALA 163.A N TRP 160.A O no hydrogen 2.956 N/A ARG 164.A N TRP 160.A O no hydrogen 3.086 N/A PHE 165.A N LEU 161.A O no hydrogen 2.837 N/A LEU 166.A N GLY 162.A O no hydrogen 3.089 N/A GLU 167.A N ALA 163.A O no hydrogen 3.058 N/A PHE 168.A N ARG 164.A O no hydrogen 2.853 N/A GLU 169.A N PHE 165.A O no hydrogen 2.740 N/A ALA 170.A N LEU 166.A O no hydrogen 3.188 N/A LEU 171.A N GLU 167.A O no hydrogen 2.777 N/A GLY 172.A N PHE 168.A O no hydrogen 2.745 N/A LEU 174.A N LEU 171.A O no hydrogen 3.297 N/A ASN 175.A N GLY 172.A O no hydrogen 3.109 N/A GLU 176.A N GLY 172.A O no hydrogen 2.791 N/A ASP 177.A N PHE 173.A O no hydrogen 2.820 N/A HIS 178.A N ASN 175.A O no hydrogen 3.177 N/A HIS 178.A ND1 GLU 190.A OE1 no hydrogen 2.753 N/A TRP 179.A N LEU 174.A O no hydrogen 2.965 N/A SER 181.A N HIS 178.A O no hydrogen 3.275 N/A SER 181.A OG HIS 178.A O no hydrogen 3.207 N/A ARG 182.A N GLU 192.A OE2 no hydrogen 3.266 N/A ARG 182.A NH1 SER 187.A O no hydrogen 3.046 N/A ARG 182.A NH1 GLY 188.A O no hydrogen 3.123 N/A ARG 182.A NH1 MET 332.A O no hydrogen 3.029 N/A ARG 182.A NH2 MET 332.A O no hydrogen 2.752 N/A ASN 184.A N SER 181.A OG no hydrogen 3.055 N/A ASN 184.A ND2 LEU 95.A O no hydrogen 2.973 N/A ASN 184.A ND2 TRP 179.A O no hydrogen 2.910 N/A SER 185.A N SER 181.A O no hydrogen 2.935 N/A SER 185.A OG SER 181.A O no hydrogen 2.714 N/A LEU 186.A N ARG 182.A O no hydrogen 2.809 N/A SER 187.A N SER 185.A O no hydrogen 2.802 N/A SER 187.A OG LEU 329.A O no hydrogen 2.641 N/A GLY 188.A N SER 185.A OG no hydrogen 2.920 N/A GLU 190.A N PHE 180.A O no hydrogen 3.029 N/A GLU 192.A N VAL 189.A O no hydrogen 3.145 N/A LEU 194.A N HIS 472.A O no hydrogen 3.056 N/A LYS 196.A N GLY 193.A O no hydrogen 2.953 N/A LEU 197.A N GLY 193.A O no hydrogen 3.291 N/A LEU 197.A N LEU 194.A O no hydrogen 3.119 N/A TYR 199.A OH VAL 397.A O no hydrogen 3.427 N/A ILE 200.A N LYS 196.A O no hydrogen 3.046 N/A LEU 201.A N LEU 197.A O no hydrogen 3.034 N/A ARG 202.A N GLY 198.A O no hydrogen 3.037 N/A ARG 202.A NH1 GLU 389.A OE1 no hydrogen 3.050 N/A ASP 203.A N TYR 199.A O no hydrogen 2.888 N/A VAL 204.A N ILE 200.A O no hydrogen 2.862 N/A SER 205.A N LEU 201.A O no hydrogen 2.935 N/A SER 205.A OG ARG 202.A O no hydrogen 2.606 N/A LYS 206.A N ASP 203.A O no hydrogen 3.222 N/A LYS 206.A NZ ASP 203.A OD1 no hydrogen 3.017 N/A LYS 207.A N VAL 204.A O no hydrogen 3.345 N/A LYS 207.A NZ GLU 327.A OE2 no hydrogen 3.099 N/A GLY 210.A N PRO 343.A O no hydrogen 3.191 N/A ALA 211.A N ASP 346.A OD1 no hydrogen 2.795 N/A MET 212.A N TRP 374.A O no hydrogen 2.821 N/A TYR 213.A N VAL 341.A O no hydrogen 2.815 N/A TYR 213.A OH ASP 346.A OD1 no hydrogen 2.707 N/A ALA 218.A N VAL 361.A O no hydrogen 3.047 N/A TRP 220.A NE1 ASN 284.A OD1 no hydrogen 2.819 N/A THR 222.A N GLY 219.A O no hydrogen 3.188 N/A THR 222.A OG1 GLY 219.A O no hydrogen 2.744 N/A ARG 223.A N TRP 220.A O no hydrogen 2.957 N/A THR 225.A N ASP 228.A OD2 no hydrogen 3.062 N/A ASP 228.A N THR 225.A OG1 no hydrogen 3.031 N/A LEU 229.A N THR 225.A O no hydrogen 3.113 N/A LYS 230.A N LEU 226.A O no hydrogen 2.860 N/A ASN 231.A N GLU 227.A O no hydrogen 2.994 N/A GLU 232.A N ASP 228.A O no hydrogen 2.803 N/A GLU 233.A N LEU 229.A O no hydrogen 3.052 N/A MET 234.A N ASN 231.A O no hydrogen 3.368 N/A VAL 235.A N GLU 232.A O no hydrogen 3.288 N/A THR 236.A N GLU 233.A O no hydrogen 2.887 N/A THR 236.A OG1 GLU 233.A O no hydrogen 2.763 N/A THR 236.A OG1 GLU 233.A OE2 no hydrogen 3.474 N/A ASN 237.A N MET 234.A O no hydrogen 3.179 N/A HIS 238.A N VAL 235.A O no hydrogen 3.147 N/A MET 239.A N THR 236.A O no hydrogen 2.977 N/A HIS 243.A NE2 ALA 170.A O no hydrogen 2.789 N/A LYS 244.A N GLU 240.A O no hydrogen 3.278 N/A LYS 244.A NZ THR 236.A O no hydrogen 3.366 N/A LYS 244.A NZ GLU 248.A OE2 no hydrogen 2.999 N/A LYS 245.A N GLY 241.A O no hydrogen 3.452 N/A LYS 245.A NZ GLU 248.A OE1 no hydrogen 3.334 N/A LEU 246.A N GLU 242.A O no hydrogen 2.971 N/A ALA 247.A N HIS 243.A O no hydrogen 2.933 N/A GLU 248.A N LYS 244.A O no hydrogen 3.003 N/A ALA 249.A N LYS 245.A O no hydrogen 2.876 N/A ILE 250.A N LEU 246.A O no hydrogen 3.092 N/A PHE 251.A N ALA 247.A O no hydrogen 3.083 N/A LYS 252.A N GLU 248.A O no hydrogen 2.955 N/A LEU 253.A N ALA 249.A O no hydrogen 2.813 N/A THR 254.A N ILE 250.A O no hydrogen 3.065 N/A THR 254.A OG1 ILE 250.A O no hydrogen 2.651 N/A TYR 255.A N ILE 250.A O no hydrogen 3.083 N/A TYR 255.A OH GLU 167.A OE1 no hydrogen 2.645 N/A GLN 256.A N PHE 251.A O no hydrogen 2.791 N/A GLN 256.A NE2 LEU 229.A O no hydrogen 3.251 N/A ASN 257.A ND2 LYS 252.A O no hydrogen 3.030 N/A LYS 258.A N ARG 273.A O no hydrogen 3.221 N/A LYS 258.A NZ TYR 255.A O no hydrogen 2.717 N/A LYS 258.A NZ ASP 275.A O no hydrogen 2.773 N/A LYS 258.A NZ GLN 276.A O no hydrogen 2.956 N/A VAL 260.A N ILE 271.A O no hydrogen 2.888 N/A ARG 261.A N TYR 150.A O no hydrogen 2.921 N/A ARG 261.A NE ASN 151.A OD1 no hydrogen 2.792 N/A ARG 261.A NH2 TYR 37.A OH no hydrogen 3.121 N/A VAL 262.A N ASP 269.A O no hydrogen 3.122 N/A ARG 264.A N VAL 267.A O no hydrogen 2.800 N/A ARG 264.A NE ASP 269.A OD1 no hydrogen 3.250 N/A ARG 264.A NE ASP 269.A OD2 no hydrogen 3.038 N/A ARG 264.A NH1 ASP 25.A O no hydrogen 3.503 N/A ARG 264.A NH2 ASP 269.A OD1 no hydrogen 2.837 N/A VAL 267.A N ARG 264.A O no hydrogen 3.070 N/A MET 268.A N TYR 37.A O no hydrogen 2.757 N/A ASP 269.A N VAL 262.A O no hydrogen 2.824 N/A ILE 270.A N GLY 35.A O no hydrogen 2.989 N/A ILE 271.A N VAL 260.A O no hydrogen 2.948 N/A SER 272.A N ALA 32.A O no hydrogen 2.942 N/A ARG 273.A NE ASP 275.A OD1 no hydrogen 2.779 N/A ARG 273.A NH1 THR 30.A OG1 no hydrogen 3.220 N/A ARG 273.A NH2 THR 71.A O no hydrogen 3.049 N/A ARG 273.A NH2 ASP 275.A OD1 no hydrogen 2.818 N/A ARG 274.A NE GLN 256.A O no hydrogen 2.793 N/A GLN 276.A N ILE 224.A O no hydrogen 2.749 N/A GLN 276.A NE2 VAL 69.A O no hydrogen 3.106 N/A GLN 276.A NE2 THR 71.A O no hydrogen 3.245 N/A ARG 277.A N ASP 221.A O no hydrogen 2.810 N/A ARG 277.A NE ASN 284.A OD1 no hydrogen 2.950 N/A ARG 277.A NH1 GLU 232.A OE1 no hydrogen 2.773 N/A ARG 277.A NH2 GLU 232.A OE1 no hydrogen 3.380 N/A ARG 277.A NH2 GLU 232.A OE2 no hydrogen 2.668 N/A ARG 277.A NH2 ASN 284.A OD1 no hydrogen 3.010 N/A SER 279.A OG ASP 221.A OD2 no hydrogen 2.723 N/A TYR 281.A OH SER 335.A OG no hydrogen 2.709 N/A LEU 283.A N THR 280.A OG1 no hydrogen 3.384 N/A ASN 284.A N THR 280.A O no hydrogen 3.194 N/A ASN 284.A ND2 ASP 221.A OD1 no hydrogen 3.024 N/A THR 285.A N TYR 281.A O no hydrogen 2.947 N/A THR 285.A OG1 TYR 281.A O no hydrogen 2.901 N/A PHE 286.A N GLY 282.A O no hydrogen 2.861 N/A THR 287.A N LEU 283.A O no hydrogen 3.110 N/A THR 287.A OG1 GLU 232.A OE2 no hydrogen 2.579 N/A THR 287.A OG1 LEU 283.A O no hydrogen 3.321 N/A ASN 288.A N ASN 284.A O no hydrogen 2.892 N/A ASN 288.A ND2 GLY 336.A O no hydrogen 2.987 N/A MET 289.A N THR 285.A O no hydrogen 2.823 N/A GLU 290.A N PHE 286.A O no hydrogen 2.965 N/A ALA 291.A N THR 287.A O no hydrogen 2.903 N/A GLN 292.A N ASN 288.A O no hydrogen 2.875 N/A GLN 292.A NE2 ASN 288.A OD1 no hydrogen 2.901 N/A LEU 293.A N MET 289.A O no hydrogen 3.024 N/A ILE 294.A N GLU 290.A O no hydrogen 3.126 N/A ARG 295.A N ALA 291.A O no hydrogen 3.030 N/A ARG 295.A NE PHE 348.A O no hydrogen 3.129 N/A ARG 295.A NE ALA 351.A O no hydrogen 3.159 N/A ARG 295.A NH1 ASP 215.A OD2 no hydrogen 2.960 N/A ARG 295.A NH2 PHE 348.A O no hydrogen 2.952 N/A ARG 295.A NH2 ALA 349.A O no hydrogen 3.229 N/A ARG 295.A NH2 SER 371.A OG no hydrogen 2.979 N/A GLN 296.A N GLN 292.A O no hydrogen 2.971 N/A GLN 296.A NE2 ARG 328.A O no hydrogen 2.925 N/A MET 297.A N LEU 293.A O no hydrogen 2.891 N/A GLU 298.A N ILE 294.A O no hydrogen 2.929 N/A GLY 299.A N ARG 295.A O no hydrogen 2.896 N/A GLU 300.A N GLN 296.A O no hydrogen 2.999 N/A GLY 301.A N GLU 298.A O no hydrogen 2.974 N/A VAL 302.A N MET 297.A O no hydrogen 2.937 N/A LYS 304.A N GLU 313.A OE1 no hydrogen 2.816 N/A GLN 307.A N SER 305.A OG no hydrogen 3.100 N/A THR 310.A N GLU 313.A OE2 no hydrogen 3.232 N/A THR 310.A OG1 THR 312.A OG1 no hydrogen 3.318 N/A THR 312.A OG1 THR 310.A OG1 no hydrogen 3.318 N/A GLU 313.A N THR 310.A OG1 no hydrogen 2.940 N/A GLU 314.A N THR 310.A O no hydrogen 3.098 N/A ALA 316.A N THR 312.A O no hydrogen 2.908 N/A VAL 317.A N GLU 313.A O no hydrogen 2.840 N/A GLN 318.A N GLU 314.A O no hydrogen 3.197 N/A ASN 319.A N ILE 315.A O no hydrogen 2.798 N/A TRP 320.A N ALA 316.A O no hydrogen 2.842 N/A TRP 320.A NE1 GLU 300.A OE1 no hydrogen 2.865 N/A LEU 321.A N VAL 317.A O no hydrogen 2.963 N/A ALA 322.A N GLN 318.A O no hydrogen 3.079 N/A ARG 323.A N ASN 319.A O no hydrogen 2.842 N/A VAL 324.A N TRP 320.A O no hydrogen 2.725 N/A GLY 325.A N TRP 320.A O no hydrogen 3.247 N/A GLY 325.A N LEU 321.A O no hydrogen 3.005 N/A ARG 326.A NH1 GLU 94.A OE1 no hydrogen 2.800 N/A ARG 328.A N VAL 324.A O no hydrogen 2.893 N/A ARG 328.A NE GLU 300.A OE1 no hydrogen 3.328 N/A ARG 328.A NE GLU 300.A OE2 no hydrogen 2.736 N/A ARG 328.A NH1 GLU 327.A OE1 no hydrogen 2.936 N/A ARG 328.A NH2 GLU 300.A OE1 no hydrogen 2.804 N/A LEU 329.A N GLY 325.A O no hydrogen 3.038 N/A SER 330.A N ARG 326.A O no hydrogen 3.115 N/A SER 330.A OG GLU 327.A O no hydrogen 2.646 N/A ARG 331.A N ARG 328.A O no hydrogen 3.359 N/A ARG 331.A NE GLU 327.A OE1 no hydrogen 2.860 N/A ARG 331.A NH1 GLU 208.A O no hydrogen 2.750 N/A ARG 331.A NH1 LYS 342.A O no hydrogen 2.978 N/A ARG 331.A NH2 GLU 208.A O no hydrogen 2.761 N/A MET 332.A N LEU 329.A O no hydrogen 3.043 N/A ALA 333.A N VAL 340.A O no hydrogen 2.987 N/A ILE 334.A N SER 187.A O no hydrogen 2.790 N/A SER 335.A N ASP 338.A O no hydrogen 2.827 N/A SER 335.A OG TYR 281.A OH no hydrogen 2.709 N/A SER 335.A OG HIS 472.A NE2 no hydrogen 2.804 N/A GLY 336.A N THR 285.A OG1 no hydrogen 2.784 N/A ASP 338.A N SER 335.A O no hydrogen 2.975 N/A CYS 339.A SG ASP 215.A O no hydrogen 3.797 N/A VAL 340.A N ALA 333.A O no hydrogen 2.979 N/A VAL 341.A N TYR 213.A O no hydrogen 2.781 N/A LYS 342.A N ARG 331.A O no hydrogen 2.867 N/A LYS 342.A NZ SER 205.A O no hydrogen 2.842 N/A LYS 342.A NZ LYS 207.A O no hydrogen 2.802 N/A ARG 347.A N ASP 345.A OD1 no hydrogen 3.123 N/A ARG 347.A NE ASP 345.A OD1 no hydrogen 2.815 N/A ARG 347.A NE ASP 345.A OD2 no hydrogen 3.374 N/A ARG 347.A NH2 ASP 345.A OD2 no hydrogen 2.798 N/A ALA 349.A N ASP 346.A O no hydrogen 3.171 N/A SER 350.A N ARG 347.A O no hydrogen 3.243 N/A SER 350.A OG ARG 347.A O no hydrogen 3.447 N/A ALA 351.A N PHE 348.A O no hydrogen 3.036 N/A THR 353.A N GLU 298.A OE1 no hydrogen 3.062 N/A THR 353.A OG1 GLU 298.A OE1 no hydrogen 2.668 N/A ALA 354.A N GLU 298.A OE2 no hydrogen 2.906 N/A ASN 356.A N LEU 352.A O no hydrogen 3.079 N/A ASN 356.A ND2 GLN 367.A O no hydrogen 2.959 N/A ASP 357.A N THR 353.A O no hydrogen 2.957 N/A MET 358.A N ALA 354.A O no hydrogen 2.912 N/A GLY 359.A N ASN 356.A O no hydrogen 3.080 N/A LYS 360.A N LEU 355.A O no hydrogen 3.222 N/A LYS 360.A NZ ARG 223.A O no hydrogen 3.003 N/A LYS 360.A NZ ASP 228.A OD2 no hydrogen 2.712 N/A LYS 360.A NZ MET 358.A O no hydrogen 3.061 N/A ARG 362.A NH1 GLU 369.A O no hydrogen 2.971 N/A ARG 362.A NH1 SER 371.A OG no hydrogen 2.893 N/A ARG 362.A NH2 GLN 367.A O no hydrogen 3.062 N/A ARG 362.A NH2 GLU 369.A O no hydrogen 2.823 N/A LYS 363.A N ASP 216.A O no hydrogen 2.808 N/A LYS 363.A NZ ASP 216.A OD2 no hydrogen 3.189 N/A LYS 363.A NZ ASP 364.A OD2 no hydrogen 3.320 N/A GLU 369.A N GLN 366.A O no hydrogen 3.020 N/A SER 371.A N ALA 349.A O no hydrogen 2.929 N/A SER 371.A OG ASP 215.A OD2 no hydrogen 2.594 N/A TRP 374.A N MET 212.A O no hydrogen 2.800 N/A THR 378.A N ASP 376.A OD1 no hydrogen 3.235 N/A THR 378.A OG1 ASP 376.A OD1 no hydrogen 3.142 N/A THR 378.A OG1 ASP 376.A OD2 no hydrogen 2.749 N/A GLN 379.A N ASP 376.A O no hydrogen 2.922 N/A GLN 379.A NE2 THR 378.A OG1 no hydrogen 2.997 N/A VAL 380.A N TRP 377.A O no hydrogen 3.439 N/A PHE 382.A N HIS 385.A O no hydrogen 2.906 N/A CYS 383.A SG ASP 338.A OD2 no hydrogen 3.826 N/A CYS 383.A SG HIS 472.A NE2 no hydrogen 3.418 N/A HIS 385.A N PHE 382.A O no hydrogen 3.029 N/A HIS 385.A ND1 CYS 383.A O no hydrogen 2.841 N/A HIS 385.A NE2 TYR 440.A OH no hydrogen 2.738 N/A HIS 386.A N CYS 402.A O no hydrogen 3.025 N/A HIS 388.A N VAL 400.A O no hydrogen 2.930 N/A LEU 390.A N LEU 398.A O no hydrogen 2.749 N/A MET 392.A N ARG 396.A O no hydrogen 2.810 N/A LYS 393.A NZ GLU 508.A O no hydrogen 3.269 N/A GLY 395.A N MET 392.A O no hydrogen 2.866 N/A ARG 396.A N ASP 394.A OD1 no hydrogen 3.127 N/A ARG 396.A NE ASP 394.A OD1 no hydrogen 3.195 N/A ARG 396.A NE ASP 394.A OD2 no hydrogen 3.354 N/A ARG 396.A NH1 ASP 500.A O no hydrogen 2.765 N/A ARG 396.A NH1 THR 502.A O no hydrogen 2.705 N/A ARG 396.A NH2 ASP 394.A OD2 no hydrogen 3.169 N/A ARG 396.A NH2 THR 502.A O no hydrogen 2.866 N/A LEU 398.A N LEU 390.A O no hydrogen 2.780 N/A VAL 399.A N TYR 199.A OH no hydrogen 3.203 N/A VAL 400.A N HIS 388.A O no hydrogen 2.852 N/A CYS 402.A N HIS 386.A O no hydrogen 2.866 N/A CYS 402.A SG HIS 386.A NE2 no hydrogen 3.468 N/A CYS 402.A SG HIS 388.A NE2 no hydrogen 3.579 N/A CYS 402.A SG ARG 403.A O no hydrogen 3.810 N/A ARG 403.A NE GLU 407.A OE2 no hydrogen 2.896 N/A ARG 403.A NH2 GLU 407.A OE2 no hydrogen 3.062 N/A GLN 405.A N CYS 521.A O no hydrogen 2.903 N/A GLN 405.A NE2 ASP 445.A OD2 no hydrogen 2.837 N/A ASP 406.A N ASN 404.A OD1 no hydrogen 2.914 N/A GLU 407.A N ASN 404.A O no hydrogen 3.067 N/A ILE 409.A N GLN 405.A O no hydrogen 3.013 N/A GLY 410.A N ASP 406.A O no hydrogen 2.877 N/A ARG 411.A N GLU 407.A O no hydrogen 3.081 N/A ALA 412.A N LEU 408.A O no hydrogen 3.162 N/A ARG 413.A N ILE 409.A O no hydrogen 3.127 N/A ARG 413.A NH1 THR 52.A OG1 no hydrogen 3.053 N/A ARG 413.A NH1 ASP 56.A OD1 no hydrogen 3.165 N/A ARG 413.A NH2 ASP 56.A OD1 no hydrogen 2.801 N/A ILE 414.A N ARG 411.A O no hydrogen 3.008 N/A SER 415.A N MET 43.A O no hydrogen 2.737 N/A SER 421.A N GLU 424.A OE1 no hydrogen 2.932 N/A SER 421.A OG GLU 424.A OE1 no hydrogen 3.214 N/A GLU 424.A N SER 421.A OG no hydrogen 3.101 N/A THR 425.A N SER 421.A O no hydrogen 3.105 N/A THR 425.A OG1 SER 421.A O no hydrogen 2.875 N/A ALA 426.A N LEU 422.A O no hydrogen 2.875 N/A CYS 427.A N ARG 423.A O no hydrogen 2.879 N/A CYS 427.A SG ARG 423.A O no hydrogen 3.249 N/A CYS 427.A SG VAL 462.A O no hydrogen 3.378 N/A LEU 428.A N GLU 424.A O no hydrogen 3.014 N/A GLY 429.A N THR 425.A O no hydrogen 3.032 N/A LYS 430.A N ALA 426.A O no hydrogen 2.940 N/A LYS 430.A NZ TRP 461.A O no hydrogen 2.789 N/A SER 431.A N CYS 427.A O no hydrogen 3.018 N/A SER 431.A OG CYS 427.A O no hydrogen 3.114 N/A SER 431.A OG THR 464.A O no hydrogen 2.639 N/A TYR 432.A N LEU 428.A O no hydrogen 3.154 N/A TYR 432.A OH THR 467.A O no hydrogen 2.733 N/A ALA 433.A N GLY 429.A O no hydrogen 2.975 N/A GLN 434.A N LYS 430.A O no hydrogen 2.951 N/A GLN 434.A NE2 TRP 477.A O no hydrogen 2.727 N/A GLN 434.A NE2 THR 479.A O no hydrogen 2.814 N/A MET 435.A N SER 431.A O no hydrogen 2.956 N/A TRP 436.A N TYR 432.A O no hydrogen 2.899 N/A SER 437.A N ALA 433.A O no hydrogen 2.969 N/A SER 437.A OG.A ALA 433.A O no hydrogen 3.036 N/A SER 437.A OG.B GLN 434.A O no hydrogen 2.859 N/A LEU 438.A N GLN 434.A O no hydrogen 3.041 N/A LEU 438.A N MET 435.A O no hydrogen 3.241 N/A MET 439.A N MET 435.A O no hydrogen 2.842 N/A TYR 440.A N TRP 436.A O no hydrogen 2.836 N/A TYR 440.A OH HIS 385.A NE2 no hydrogen 2.738 N/A ARG 443.A N TYR 440.A O no hydrogen 3.129 N/A ARG 443.A NE ASP 518.A OD1 no hydrogen 2.741 N/A ARG 443.A NH1 ASP 518.A O no hydrogen 2.987 N/A ARG 443.A NH1 ASP 518.A OD1 no hydrogen 3.121 N/A ARG 443.A NH1 CYS 521.A O no hydrogen 2.835 N/A ARG 443.A NH2 CYS 521.A O no hydrogen 3.222 N/A ARG 444.A N ASP 518.A OD2 no hydrogen 2.907 N/A ARG 444.A NH1 LEU 513.A O no hydrogen 2.796 N/A ARG 444.A NH1 ASP 518.A OD2 no hydrogen 2.802 N/A ARG 444.A NH2 LEU 513.A O no hydrogen 2.957 N/A ARG 447.A N ARG 443.A O no hydrogen 3.059 N/A ARG 447.A NE PHE 441.A O no hydrogen 2.856 N/A ARG 447.A NH1 TRP 507.A O no hydrogen 2.949 N/A ARG 447.A NH1 ILE 510.A O no hydrogen 3.188 N/A ARG 447.A NH2 PHE 441.A O no hydrogen 2.992 N/A ARG 447.A NH2 ILE 510.A O no hydrogen 3.014 N/A LEU 448.A N ARG 444.A O no hydrogen 3.207 N/A ALA 449.A N ASP 445.A O no hydrogen 2.822 N/A ALA 450.A N LEU 446.A O no hydrogen 2.811 N/A ASN 451.A N ARG 447.A O no hydrogen 3.114 N/A ALA 452.A N LEU 448.A O no hydrogen 2.943 N/A ILE 453.A N ALA 449.A O no hydrogen 2.870 N/A CYS 454.A N ALA 450.A O no hydrogen 2.980 N/A CYS 454.A SG ALA 450.A O no hydrogen 3.509 N/A SER 455.A N ASN 451.A O no hydrogen 2.882 N/A SER 455.A OG ASN 451.A O no hydrogen 2.726 N/A ALA 456.A N ALA 452.A O no hydrogen 2.986 N/A ALA 456.A N ILE 453.A O no hydrogen 3.050 N/A VAL 457.A N ILE 453.A O no hydrogen 2.967 N/A SER 459.A N GLU 552.A O no hydrogen 3.177 N/A TRP 461.A N PRO 458.A O no hydrogen 3.037 N/A THR 464.A N CYS 427.A O no hydrogen 3.340 N/A THR 464.A OG1 GLU 424.A O no hydrogen 3.277 N/A SER 470.A N THR 468.A OG1 no hydrogen 2.956 N/A HIS 472.A N SER 470.A OG no hydrogen 3.006 N/A ALA 473.A N SER 470.A O no hydrogen 3.107 N/A LYS 474.A NZ GLY 191.A O no hydrogen 3.046 N/A GLU 476.A N GLU 476.A OE2 no hydrogen 2.834 N/A MET 478.A N HIS 475.A O no hydrogen 2.946 N/A THR 479.A N TRP 477.A O no hydrogen 2.990 N/A GLU 481.A N THR 479.A OG1 no hydrogen 3.033 N/A THR 485.A OG1 ASP 482.A OD1 no hydrogen 3.507 N/A VAL 486.A N ASP 482.A O no hydrogen 3.215 N/A TRP 487.A N MET 483.A O no hydrogen 2.793 N/A ASN 488.A N LEU 484.A O no hydrogen 2.969 N/A ASN 488.A ND2 LEU 484.A O no hydrogen 3.160 N/A ASN 488.A ND2 VAL 504.A O no hydrogen 2.972 N/A ARG 489.A N THR 485.A O no hydrogen 3.010 N/A ARG 489.A NH1 GLU 481.A OE2 no hydrogen 3.032 N/A ARG 489.A NH2 GLU 481.A OE1 no hydrogen 2.862 N/A ARG 489.A NH2 GLU 481.A OE2 no hydrogen 3.486 N/A VAL 490.A N VAL 486.A O no hydrogen 2.971 N/A TRP 491.A N TRP 487.A O no hydrogen 2.820 N/A TRP 491.A NE1 LEU 438.A O no hydrogen 2.855 N/A ILE 492.A N ASN 488.A O no hydrogen 3.042 N/A GLN 493.A N ASN 488.A O no hydrogen 3.008 N/A GLU 494.A N ARG 489.A O no hydrogen 2.836 N/A ASN 495.A N ILE 492.A O no hydrogen 3.357 N/A ASN 495.A ND2 TYR 199.A OH no hydrogen 3.148 N/A ASN 495.A ND2 TRP 491.A O no hydrogen 2.905 N/A TRP 497.A N ASN 495.A OD1 no hydrogen 3.143 N/A TRP 497.A NE1 ASP 203.A OD2 no hydrogen 2.776 N/A MET 498.A N ASN 495.A O no hydrogen 3.055 N/A LYS 501.A NZ ILE 492.A O no hydrogen 2.846 N/A LYS 501.A NZ GLN 493.A O no hydrogen 3.212 N/A LYS 501.A NZ MET 498.A O no hydrogen 2.778 N/A THR 502.A N ASP 500.A OD1 no hydrogen 2.953 N/A THR 502.A OG1 ASP 500.A OD1 no hydrogen 2.676 N/A VAL 504.A N ASN 488.A OD1 no hydrogen 2.775 N/A GLU 505.A N GLU 509.A OE2 no hydrogen 2.779 N/A GLU 509.A N SER 506.A O no hydrogen 3.229 N/A ILE 510.A N TRP 507.A O no hydrogen 2.828 N/A LEU 513.A N HIS 442.A O no hydrogen 2.949 N/A GLY 514.A N GLU 517.A OE1 no hydrogen 2.830 N/A ASP 518.A N GLY 514.A O no hydrogen 2.945 N/A GLN 519.A N LYS 515.A O no hydrogen 3.087 N/A GLN 519.A NE2 ILE 525.A O no hydrogen 3.077 N/A TRP 520.A N ARG 516.A O no hydrogen 2.853 N/A CYS 521.A N GLU 517.A O no hydrogen 2.985 N/A CYS 521.A SG HIS 386.A NE2 no hydrogen 3.482 N/A CYS 521.A SG HIS 388.A NE2 no hydrogen 3.741 N/A CYS 521.A SG GLU 517.A O no hydrogen 3.669 N/A GLY 522.A N GLN 519.A O no hydrogen 2.882 N/A SER 523.A N ASP 518.A O no hydrogen 2.871 N/A SER 523.A OG ASP 445.A OD1 no hydrogen 3.352 N/A SER 523.A OG ASP 445.A OD2 no hydrogen 3.208 N/A LEU 524.A N ASP 445.A OD2 no hydrogen 2.719 N/A ILE 525.A N SER 523.A OG no hydrogen 3.090 N/A LEU 527.A N LEU 524.A O no hydrogen 2.947 N/A ARG 530.A NE ASP 445.A OD1 no hydrogen 2.701 N/A ARG 530.A NH2 ASP 445.A OD1 no hydrogen 3.030 N/A ALA 531.A N LEU 527.A O no hydrogen 3.039 N/A THR 532.A N THR 528.A O no hydrogen 2.987 N/A THR 532.A OG1 THR 528.A O no hydrogen 3.155 N/A TRP 533.A N SER 529.A O no hydrogen 3.097 N/A TRP 533.A NE1 LEU 51.A O no hydrogen 2.992 N/A ALA 534.A N ARG 530.A O no hydrogen 3.001 N/A LYS 535.A N ALA 531.A O no hydrogen 2.997 N/A ASN 536.A N THR 532.A O no hydrogen 2.988 N/A ASN 536.A ND2 THR 532.A O no hydrogen 2.936 N/A ILE 537.A N ALA 534.A O no hydrogen 3.412 N/A THR 539.A N ASN 536.A O no hydrogen 3.051 N/A ILE 541.A N ILE 537.A O no hydrogen 2.896 N/A ASN 542.A N GLN 538.A O no hydrogen 2.857 N/A GLN 543.A N THR 539.A O no hydrogen 3.035 N/A VAL 544.A N ALA 540.A O no hydrogen 3.274 N/A ARG 545.A N ILE 541.A O no hydrogen 2.982 N/A ARG 545.A NE SER 455.A O no hydrogen 2.755 N/A ARG 545.A NH2 SER 455.A O no hydrogen 2.872 N/A ARG 545.A NH2 THR 554.A O no hydrogen 3.306 N/A SER 546.A N ASN 542.A O no hydrogen 2.861 N/A SER 546.A OG ASN 542.A O no hydrogen 2.802 N/A LEU 547.A N GLN 543.A O no hydrogen 3.111 N/A ILE 548.A N VAL 544.A O no hydrogen 2.898 N/A GLY 549.A N ARG 545.A O no hydrogen 2.792 N/A TYR 553.A OH GLY 549.A O no hydrogen 2.795 N/A TYR 556.A N SER 455.A OG no hydrogen 2.799 N/A MET 557.A N ASP 555.A OD1 no hydrogen 3.081 N/A SER 559.A N TYR 556.A O no hydrogen 3.232 N/A SER 559.A OG TYR 556.A O no hydrogen 2.753 N/A MET 560.A N MET 557.A O no hydrogen 2.926 N/A PHE 563.A N MET 560.A O no hydrogen 3.141 N/A