Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hhj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASP 3.A OD2 no hydrogen 3.192 N/A ASN 1.A ND2 ASN 279.A OD1 no hydrogen 3.000 N/A VAL 4.A N ASN 1.A O no hydrogen 3.296 N/A ILE 5.A N ASN 1.A O no hydrogen 3.450 N/A GLY 6.A N MET 2.A O no hydrogen 2.631 N/A ARG 8.A NH1 CYS 165.A O no hydrogen 3.159 N/A ARG 8.A NH1 LEU 275.A O no hydrogen 2.743 N/A ARG 8.A NH2 VAL 4.A O no hydrogen 3.149 N/A ARG 8.A NH2 LEU 275.A O no hydrogen 2.808 N/A ILE 9.A N ILE 5.A O no hydrogen 3.346 N/A LYS 10.A N GLY 6.A O no hydrogen 3.038 N/A ARG 11.A N GLU 7.A O no hydrogen 3.241 N/A ARG 11.A NE GLU 7.A OE2 no hydrogen 2.751 N/A ARG 11.A NH2 GLU 7.A OE2 no hydrogen 3.387 N/A ILE 12.A N ARG 8.A O no hydrogen 3.305 N/A LYS 13.A N ILE 9.A O no hydrogen 2.827 N/A GLU 14.A N LYS 10.A O no hydrogen 2.868 N/A GLU 15.A N ARG 11.A O no hydrogen 2.971 N/A HIS 16.A N ILE 12.A O no hydrogen 2.934 N/A TRP 20.A N HIS 16.A O no hydrogen 2.966 N/A HIS 21.A N SER 36.A O no hydrogen 2.971 N/A HIS 21.A ND1 THR 19.A O no hydrogen 2.729 N/A ASP 23.A N TYR 33.A OH no hydrogen 2.862 N/A GLU 25.A N ASP 23.A OD1 no hydrogen 3.034 N/A TYR 28.A OH GLN 80.A OE1 no hydrogen 3.162 N/A TYR 28.A OH ASP 295.A OD2 no hydrogen 2.448 N/A LYS 29.A N ASP 88.A OD1 no hydrogen 2.778 N/A LYS 29.A N ASP 88.A OD2 no hydrogen 3.240 N/A THR 30.A N ASP 88.A OD2 no hydrogen 2.666 N/A THR 30.A OG1 ASP 88.A OD2 no hydrogen 2.872 N/A THR 30.A OG1 THR 89.A O no hydrogen 3.350 N/A TRP 31.A NE1 VAL 87.A O no hydrogen 3.117 N/A ALA 32.A N SER 298.A O no hydrogen 2.872 N/A TYR 33.A OH SER 36.A OG no hydrogen 2.493 N/A HIS 34.A N ILE 296.A O no hydrogen 2.797 N/A HIS 34.A NE2 SER 298.A OG no hydrogen 2.773 N/A SER 36.A N HIS 21.A O no hydrogen 2.768 N/A SER 36.A OG TYR 33.A OH no hydrogen 2.493 N/A SER 36.A OG ASP 295.A OD1 no hydrogen 2.728 N/A TYR 37.A N MET 294.A O no hydrogen 3.258 N/A GLU 38.A N THR 19.A OG1 no hydrogen 3.135 N/A VAL 39.A N THR 292.A O no hydrogen 3.078 N/A THR 42.A N GLN 285.A OE1 no hydrogen 3.240 N/A SER 44.A N THR 74.A OG1 no hydrogen 2.898 N/A SER 44.A OG SER 46.A O no hydrogen 2.863 N/A SER 47.A N ALA 70.A O no hydrogen 2.946 N/A ASN 50.A N ARG 444.A O no hydrogen 2.753 N/A ASN 50.A ND2 THR 456.A O no hydrogen 2.950 N/A VAL 53.A N ASN 50.A OD1 no hydrogen 3.175 N/A LYS 54.A N ASN 50.A O no hydrogen 2.899 N/A LEU 55.A N GLY 51.A O no hydrogen 2.961 N/A LEU 56.A N VAL 52.A O no hydrogen 3.333 N/A LEU 56.A N VAL 53.A O no hydrogen 3.142 N/A THR 57.A N LYS 54.A O no hydrogen 3.183 N/A THR 57.A OG1 VAL 53.A O no hydrogen 2.719 N/A THR 57.A OG1 LYS 54.A O no hydrogen 3.484 N/A TRP 60.A N THR 57.A O no hydrogen 2.968 N/A ASP 61.A N LYS 58.A O no hydrogen 2.934 N/A THR 67.A N VAL 63.A O no hydrogen 3.459 N/A GLN 68.A N PRO 64.A O no hydrogen 3.149 N/A MET 69.A N MET 65.A O no hydrogen 3.230 N/A MET 71.A N GLN 68.A O no hydrogen 2.980 N/A THR 74.A N SER 44.A O no hydrogen 2.923 N/A THR 74.A OG1 SER 44.A O no hydrogen 3.224 N/A THR 75.A OG1 ASP 73.A OD1 no hydrogen 3.548 N/A THR 75.A OG1 ASP 73.A OD2 no hydrogen 2.635 N/A GLN 79.A N THR 75.A O no hydrogen 3.006 N/A GLN 79.A NE2 THR 74.A O no hydrogen 3.377 N/A GLN 79.A NE2 GLN 285.A OE1 no hydrogen 3.239 N/A GLN 80.A N PRO 76.A O no hydrogen 3.167 N/A ARG 81.A N PHE 77.A O no hydrogen 3.239 N/A VAL 82.A N GLY 78.A O no hydrogen 3.364 N/A PHE 83.A N GLN 79.A O no hydrogen 3.158 N/A LYS 84.A N GLN 80.A O no hydrogen 3.086 N/A GLU 85.A N ARG 81.A O no hydrogen 3.295 N/A LYS 86.A N VAL 82.A O no hydrogen 3.029 N/A ASP 88.A N PHE 83.A O no hydrogen 2.943 N/A THR 89.A OG1 LYS 86.A O no hydrogen 3.148 N/A THR 91.A OG1 THR 244.A O no hydrogen 3.336 N/A ARG 93.A NE ASP 249.A OD2 no hydrogen 2.913 N/A ARG 93.A NH2 ASP 249.A OD1 no hydrogen 3.004 N/A LEU 95.A N ASP 388.A OD2 no hydrogen 2.783 N/A THR 98.A N LEU 338.A O no hydrogen 3.202 N/A THR 98.A OG1 ASP 388.A OD2 no hydrogen 2.614 N/A ARG 99.A N LEU 95.A O no hydrogen 2.967 N/A ARG 99.A NH1 PRO 94.A O no hydrogen 2.959 N/A LYS 100.A N PRO 96.A O no hydrogen 3.072 N/A LYS 100.A NZ LEU 343.A O no hydrogen 3.035 N/A LYS 100.A NZ GLU 345.A OE2.B no hydrogen 3.373 N/A VAL 101.A N GLY 97.A O no hydrogen 2.948 N/A MET 102.A N THR 98.A O no hydrogen 2.877 N/A GLU 103.A N ARG 99.A O no hydrogen 3.028 N/A ILE 104.A N LYS 100.A O no hydrogen 2.969 N/A THR 105.A N VAL 101.A O no hydrogen 2.947 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.817 N/A ALA 106.A N MET 102.A O no hydrogen 2.812 N/A GLU 107.A N GLU 103.A O no hydrogen 3.045 N/A TRP 108.A N ILE 104.A O no hydrogen 3.141 N/A LEU 109.A N THR 105.A O no hydrogen 2.793 N/A TRP 110.A N ALA 106.A O no hydrogen 2.863 N/A TRP 110.A NE1 ASN 253.A O no hydrogen 3.031 N/A ARG 111.A N GLU 107.A O no hydrogen 3.157 N/A THR 112.A N TRP 108.A O no hydrogen 2.953 N/A THR 112.A OG1 TRP 108.A O no hydrogen 2.908 N/A LEU 113.A N LEU 109.A O no hydrogen 2.923 N/A GLY 114.A N TRP 110.A O no hydrogen 2.991 N/A ARG 115.A N THR 112.A O no hydrogen 3.282 N/A ARG 115.A NH1 THR 112.A O no hydrogen 2.873 N/A ARG 115.A NH1 ASN 206.A O no hydrogen 2.754 N/A ARG 115.A NH2 GLU 205.A O no hydrogen 3.183 N/A ARG 115.A NH2 ASN 206.A O no hydrogen 3.391 N/A LYS 117.A NZ ASP 199.A O no hydrogen 2.787 N/A ARG 118.A NE ASP 262.A OD2 no hydrogen 3.394 N/A ARG 118.A NH2 ASP 262.A OD2 no hydrogen 3.388 N/A ARG 120.A NE ASP 199.A OD1 no hydrogen 3.264 N/A ARG 120.A NE ASP 199.A OD2 no hydrogen 2.819 N/A ARG 120.A NH1 LEU 121.A O no hydrogen 3.149 N/A ARG 120.A NH1 GLU 126.A OE1 no hydrogen 3.490 N/A ARG 120.A NH1 GLU 126.A OE2 no hydrogen 2.984 N/A ARG 120.A NH2 GLU 126.A OE1 no hydrogen 2.915 N/A ARG 120.A NH2 ASP 199.A OD1 no hydrogen 2.889 N/A CYS 122.A N GLU 191.A O no hydrogen 2.836 N/A THR 123.A N GLU 126.A OE2 no hydrogen 3.115 N/A THR 123.A OG1 GLU 125.A OE1 no hydrogen 3.490 N/A ARG 124.A NH1 GLU 144.A OE1 no hydrogen 3.190 N/A ARG 124.A NH1 GLU 144.A OE2 no hydrogen 3.501 N/A ARG 124.A NH2 GLU 144.A OE2 no hydrogen 2.845 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.793 N/A GLU 126.A N THR 123.A OG1 no hydrogen 3.157 N/A PHE 127.A N THR 123.A O no hydrogen 2.959 N/A THR 128.A N ARG 124.A O no hydrogen 2.863 N/A THR 128.A OG1 ARG 124.A O no hydrogen 2.682 N/A LYS 129.A N GLU 125.A O no hydrogen 2.867 N/A LYS 130.A N GLU 126.A O no hydrogen 2.949 N/A LYS 130.A NZ GLU 198.A OE1 no hydrogen 2.837 N/A LYS 130.A NZ GLU 198.A OE2 no hydrogen 3.205 N/A VAL 131.A N PHE 127.A O no hydrogen 2.993 N/A ARG 132.A N THR 128.A O no hydrogen 2.911 N/A ARG 132.A NE GLU 142.A OE1 no hydrogen 2.703 N/A ARG 132.A NH2 GLU 142.A OE1 no hydrogen 2.804 N/A ARG 132.A NH2 GLU 142.A OE2 no hydrogen 3.030 N/A THR 133.A N LYS 129.A O no hydrogen 2.824 N/A THR 133.A OG1 LYS 129.A O no hydrogen 2.823 N/A THR 133.A OG1 LYS 130.A O no hydrogen 3.433 N/A ASN 134.A N LYS 130.A O no hydrogen 3.242 N/A ASN 134.A ND2 LYS 130.A O no hydrogen 3.103 N/A ALA 135.A N VAL 131.A O no hydrogen 3.143 N/A ALA 140.A N SER 136.A O no hydrogen 3.278 N/A VAL 141.A N ALA 137.A O no hydrogen 3.214 N/A GLU 142.A N ALA 139.A O no hydrogen 3.186 N/A ASP 143.A N ALA 139.A O no hydrogen 3.231 N/A ASP 143.A N ALA 140.A O no hydrogen 3.071 N/A GLU 145.A N ASP 143.A OD1 no hydrogen 3.079 N/A PHE 146.A N ASP 143.A O no hydrogen 3.125 N/A TRP 147.A NE1 VAL 141.A O no hydrogen 2.790 N/A LYS 148.A N GLU 144.A O no hydrogen 3.130 N/A LEU 149.A N GLU 145.A O no hydrogen 3.219 N/A VAL 150.A N PHE 146.A O no hydrogen 3.059 N/A ASP 151.A N TRP 147.A O no hydrogen 2.859 N/A ARG 152.A N LYS 148.A O no hydrogen 3.013 N/A GLU 153.A N LEU 149.A O no hydrogen 2.907 N/A ARG 154.A N VAL 150.A O no hydrogen 2.842 N/A ARG 154.A NE GLU 191.A OE1 no hydrogen 3.328 N/A ARG 154.A NE GLU 191.A OE2 no hydrogen 2.814 N/A ARG 154.A NH1 ASP 151.A OD2 no hydrogen 2.962 N/A ARG 154.A NH2 GLU 191.A OE1 no hydrogen 2.803 N/A GLU 155.A N ASP 151.A O no hydrogen 3.047 N/A LEU 156.A N ARG 152.A O no hydrogen 3.337 N/A HIS 157.A N GLU 153.A O no hydrogen 2.989 N/A LYS 158.A N ARG 154.A O no hydrogen 2.943 N/A LYS 158.A NZ GLU 155.A OE1 no hydrogen 3.217 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 3.069 N/A LEU 159.A N GLU 155.A O no hydrogen 3.307 N/A LEU 159.A N LEU 156.A O no hydrogen 2.876 N/A GLY 160.A N HIS 157.A O no hydrogen 2.953 N/A LYS 161.A N LEU 156.A O no hydrogen 2.924 N/A CYS 162.A SG GLU 153.A OE1 no hydrogen 3.364 N/A CYS 162.A SG HIS 157.A NE2 no hydrogen 3.791 N/A GLY 163.A N GLU 153.A OE1 no hydrogen 2.802 N/A SER 164.A N GLU 153.A OE1 no hydrogen 3.385 N/A CYS 165.A SG GLU 153.A OE1 no hydrogen 3.724 N/A CYS 165.A SG HIS 157.A NE2 no hydrogen 3.482 N/A TYR 167.A N VAL 281.A O no hydrogen 3.139 N/A MET 169.A N LYS 283.A O no hydrogen 3.046 N/A TRP 179.A N SER 175.A O no hydrogen 3.355 N/A TRP 179.A NE1 SER 136.A O no hydrogen 3.060 N/A TYR 180.A N ARG 176.A O no hydrogen 2.733 N/A TYR 180.A OH ASP 143.A OD2 no hydrogen 2.572 N/A MET 181.A N ALA 177.A O no hydrogen 3.164 N/A TRP 182.A N ILE 178.A O no hydrogen 3.158 N/A LEU 183.A N TRP 179.A O no hydrogen 3.045 N/A GLY 184.A N TYR 180.A O no hydrogen 2.848 N/A VAL 185.A N MET 181.A O no hydrogen 2.964 N/A ARG 186.A N TRP 182.A O no hydrogen 2.995 N/A ARG 186.A NH2.B GLY 306.A O no hydrogen 2.922 N/A TYR 187.A N LEU 183.A O no hydrogen 2.812 N/A TYR 187.A OH GLU 191.A OE1 no hydrogen 2.635 N/A LEU 188.A N GLY 184.A O no hydrogen 3.045 N/A GLU 189.A N VAL 185.A O no hydrogen 3.094 N/A PHE 190.A N ARG 186.A O no hydrogen 2.876 N/A GLU 191.A N TYR 187.A O no hydrogen 2.725 N/A ALA 192.A N LEU 188.A O no hydrogen 3.242 N/A LEU 193.A N GLU 189.A O no hydrogen 2.801 N/A GLY 194.A N PHE 190.A O no hydrogen 2.814 N/A LEU 196.A N LEU 193.A O no hydrogen 3.213 N/A ASN 197.A N GLY 194.A O no hydrogen 2.973 N/A ASN 197.A ND2 VAL 308.A O no hydrogen 3.263 N/A GLU 198.A N GLY 194.A O no hydrogen 2.847 N/A ASP 199.A N PHE 195.A O no hydrogen 2.886 N/A HIS 200.A N ASN 197.A O no hydrogen 3.054 N/A HIS 200.A ND1 GLU 212.A OE1 no hydrogen 2.739 N/A TRP 201.A N LEU 196.A O no hydrogen 2.913 N/A SER 203.A N HIS 200.A O no hydrogen 3.151 N/A SER 203.A OG HIS 200.A O no hydrogen 3.296 N/A ARG 204.A N GLU 214.A OE2 no hydrogen 2.923 N/A ARG 204.A NH1 SER 209.A O no hydrogen 2.985 N/A ARG 204.A NH1 GLY 210.A O no hydrogen 3.167 N/A ARG 204.A NH1 MET 363.A O no hydrogen 3.041 N/A ARG 204.A NH2 MET 363.A O no hydrogen 2.794 N/A ASN 206.A N SER 203.A OG no hydrogen 2.984 N/A ASN 206.A ND2 LEU 113.A O no hydrogen 2.940 N/A ASN 206.A ND2 TRP 201.A O no hydrogen 2.870 N/A SER 207.A N SER 203.A O no hydrogen 2.924 N/A SER 207.A OG SER 203.A O no hydrogen 2.776 N/A TYR 208.A N ARG 204.A O no hydrogen 2.904 N/A SER 209.A OG LEU 360.A O no hydrogen 2.674 N/A GLY 210.A N SER 207.A OG no hydrogen 2.876 N/A GLU 212.A N PHE 202.A O no hydrogen 3.026 N/A GLU 214.A N VAL 211.A O no hydrogen 3.054 N/A LEU 216.A N HIS 503.A O no hydrogen 2.828 N/A LYS 218.A N GLY 215.A O no hydrogen 2.919 N/A LEU 219.A N LEU 216.A O no hydrogen 3.261 N/A ILE 222.A N LYS 218.A O no hydrogen 3.014 N/A LEU 223.A N LEU 219.A O no hydrogen 2.969 N/A ARG 224.A N GLY 220.A O no hydrogen 2.868 N/A ARG 224.A NH1 GLU 420.A OE1 no hydrogen 2.873 N/A ASP 225.A N TYR 221.A O no hydrogen 2.958 N/A ILE 226.A N ILE 222.A O no hydrogen 2.968 N/A SER 227.A N LEU 223.A O no hydrogen 2.939 N/A SER 227.A OG ARG 224.A O no hydrogen 2.592 N/A LYS 228.A N ASP 225.A O no hydrogen 3.148 N/A LYS 228.A NZ ASP 225.A OD1 no hydrogen 2.827 N/A ILE 229.A N ILE 226.A O no hydrogen 2.937 N/A GLY 232.A N PRO 374.A O no hydrogen 2.843 N/A ALA 233.A N ASP 377.A OD1 no hydrogen 2.850 N/A MET 234.A N TRP 405.A O no hydrogen 2.874 N/A TYR 235.A N VAL 372.A O no hydrogen 2.808 N/A TYR 235.A OH ASP 377.A OD1 no hydrogen 2.518 N/A ALA 240.A N VAL 392.A O no hydrogen 3.029 N/A TRP 242.A NE1 ASN 314.A OD1 no hydrogen 2.896 N/A THR 244.A N GLY 241.A O no hydrogen 2.860 N/A THR 244.A OG1 GLY 241.A O no hydrogen 2.634 N/A ARG 245.A N TRP 242.A O no hydrogen 2.879 N/A ARG 245.A NE GLY 390.A O no hydrogen 2.806 N/A ARG 245.A NH2 GLY 390.A O no hydrogen 3.566 N/A THR 247.A N ASP 250.A OD1 no hydrogen 2.909 N/A ASP 250.A N THR 247.A OG1 no hydrogen 2.929 N/A LEU 251.A N THR 247.A O no hydrogen 3.027 N/A HIS 252.A N GLU 248.A O no hydrogen 3.027 N/A ASN 253.A N ASP 249.A O no hydrogen 3.072 N/A GLU 254.A N ASP 250.A O no hydrogen 2.927 N/A GLU 255.A N LEU 251.A O no hydrogen 3.040 N/A LYS 256.A N ASN 253.A O no hydrogen 3.313 N/A LYS 256.A NZ GLU 103.A OE2 no hydrogen 3.015 N/A LYS 256.A NZ GLU 107.A OE1 no hydrogen 3.218 N/A ILE 257.A N GLU 254.A O no hydrogen 3.510 N/A ILE 258.A N GLU 255.A O no hydrogen 3.012 N/A GLN 259.A N LYS 256.A O no hydrogen 3.162 N/A GLN 260.A N ILE 257.A O no hydrogen 2.939 N/A MET 261.A N ILE 258.A O no hydrogen 3.122 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.854 N/A HIS 265.A NE2 ALA 192.A O no hydrogen 2.678 N/A ARG 266.A N ASP 262.A O no hydrogen 2.767 N/A ARG 266.A NH1.A GLN 259.A O no hydrogen 3.060 N/A GLN 267.A N PRO 263.A O no hydrogen 3.097 N/A ALA 269.A N HIS 265.A O no hydrogen 2.935 N/A ASN 270.A N ARG 266.A O no hydrogen 2.796 N/A ALA 271.A N GLN 267.A O no hydrogen 3.144 N/A ILE 272.A N LEU 268.A O no hydrogen 3.094 N/A PHE 273.A N ALA 269.A O no hydrogen 2.867 N/A LYS 274.A N ASN 270.A O no hydrogen 2.967 N/A LYS 274.A NZ GLU 255.A OE1 no hydrogen 2.840 N/A LYS 274.A NZ GLU 255.A OE2 no hydrogen 3.427 N/A LEU 275.A N ALA 271.A O no hydrogen 2.959 N/A THR 276.A N ILE 272.A O no hydrogen 3.050 N/A THR 276.A OG1 ILE 272.A O no hydrogen 2.846 N/A TYR 277.A N ILE 272.A O no hydrogen 3.165 N/A TYR 277.A OH GLU 189.A OE1 no hydrogen 2.300 N/A GLN 278.A N PHE 273.A O no hydrogen 2.779 N/A GLN 278.A NE2 GLU 255.A OE1 no hydrogen 2.746 N/A ASN 279.A ND2 LYS 274.A O no hydrogen 2.784 N/A LYS 280.A NZ TYR 277.A O no hydrogen 2.689 N/A LYS 280.A NZ ASP 301.A O no hydrogen 3.004 N/A LYS 280.A NZ GLN 302.A O no hydrogen 3.100 N/A VAL 282.A N ILE 297.A O no hydrogen 2.745 N/A LYS 283.A N TYR 167.A O no hydrogen 2.847 N/A LYS 283.A NZ TYR 37.A OH no hydrogen 3.003 N/A VAL 284.A N ASP 295.A O no hydrogen 3.091 N/A GLN 285.A N GLN 79.A OE1 no hydrogen 3.283 N/A GLN 285.A NE2 LYS 40.A O no hydrogen 3.433 N/A ARG 286.A N VAL 293.A O no hydrogen 2.759 N/A ARG 286.A NE ASP 295.A OD1 no hydrogen 3.317 N/A ARG 286.A NE ASP 295.A OD2 no hydrogen 2.654 N/A ARG 286.A NH1 ASP 23.A OD2 no hydrogen 3.071 N/A ARG 286.A NH1 ASP 295.A OD1 no hydrogen 2.870 N/A ARG 286.A NH2 ASP 23.A OD2 no hydrogen 3.060 N/A THR 288.A N GLY 291.A O no hydrogen 2.762 N/A GLY 291.A N THR 288.A O no hydrogen 2.996 N/A GLY 291.A N THR 288.A OG1 no hydrogen 3.192 N/A VAL 293.A N ARG 286.A O no hydrogen 2.887 N/A MET 294.A N TYR 37.A O no hydrogen 2.775 N/A ASP 295.A N VAL 284.A O no hydrogen 2.729 N/A ILE 296.A N GLY 35.A O no hydrogen 2.871 N/A ILE 297.A N VAL 282.A O no hydrogen 2.971 N/A SER 298.A N ALA 32.A O no hydrogen 2.855 N/A SER 298.A OG HIS 34.A NE2 no hydrogen 2.773 N/A ARG 299.A NE ASP 301.A OD1 no hydrogen 2.810 N/A ARG 299.A NH1 THR 30.A OG1 no hydrogen 2.932 N/A ARG 299.A NH1 THR 89.A O no hydrogen 3.192 N/A ARG 299.A NH2 THR 89.A O no hydrogen 3.072 N/A ARG 299.A NH2 ASP 301.A OD1 no hydrogen 2.863 N/A LYS 300.A NZ GLU 248.A OE2 no hydrogen 2.940 N/A GLN 302.A N ILE 246.A O no hydrogen 2.930 N/A GLN 302.A NE2 VAL 87.A O no hydrogen 3.092 N/A GLN 302.A NE2 THR 89.A O no hydrogen 3.382 N/A ARG 303.A N ASP 243.A O no hydrogen 2.936 N/A ARG 303.A NE ASN 314.A OD1 no hydrogen 2.763 N/A ARG 303.A NH1 GLU 254.A OE1 no hydrogen 2.774 N/A ARG 303.A NH2 GLU 254.A OE1 no hydrogen 3.405 N/A ARG 303.A NH2 GLU 254.A OE2 no hydrogen 2.565 N/A ARG 303.A NH2 ASN 314.A OD1 no hydrogen 3.033 N/A SER 305.A OG ASP 243.A OD2 no hydrogen 2.810 N/A GLY 306.A N TYR 167.A OH no hydrogen 2.673 N/A VAL 308.A N GLU 189.A OE2 no hydrogen 2.834 N/A GLY 309.A N GLU 189.A OE1 no hydrogen 2.952 N/A THR 310.A N GLN 307.A O no hydrogen 3.367 N/A THR 310.A OG1 GLY 304.A O no hydrogen 2.675 N/A THR 310.A OG1 GLN 307.A O no hydrogen 3.506 N/A TYR 311.A OH SER 366.A OG no hydrogen 2.610 N/A LEU 313.A N GLY 309.A O no hydrogen 2.918 N/A ASN 314.A N THR 310.A O no hydrogen 2.876 N/A ASN 314.A ND2 ASP 243.A OD1 no hydrogen 2.890 N/A THR 315.A N TYR 311.A O no hydrogen 2.909 N/A THR 315.A OG1 TYR 311.A O no hydrogen 2.844 N/A PHE 316.A N GLY 312.A O no hydrogen 2.835 N/A THR 317.A N LEU 313.A O no hydrogen 2.934 N/A THR 317.A OG1 GLU 254.A OE2 no hydrogen 2.564 N/A THR 317.A OG1 LEU 313.A O no hydrogen 3.362 N/A ASN 318.A N ASN 314.A O no hydrogen 2.868 N/A ASN 318.A ND2 GLY 367.A O no hydrogen 2.974 N/A MET 319.A N THR 315.A O no hydrogen 2.875 N/A GLU 320.A N PHE 316.A O no hydrogen 3.016 N/A ALA 321.A N THR 317.A O no hydrogen 2.796 N/A GLN 322.A N ASN 318.A O no hydrogen 2.811 N/A GLN 322.A NE2 ASN 318.A OD1 no hydrogen 2.895 N/A LEU 323.A N MET 319.A O no hydrogen 3.009 N/A VAL 324.A N GLU 320.A O no hydrogen 3.041 N/A ARG 325.A N ALA 321.A O no hydrogen 2.932 N/A ARG 325.A NE PHE 379.A O no hydrogen 3.260 N/A ARG 325.A NE ALA 382.A O no hydrogen 3.047 N/A ARG 325.A NH1 ASP 237.A OD2 no hydrogen 2.779 N/A ARG 325.A NH2 PHE 379.A O no hydrogen 2.900 N/A ARG 325.A NH2 SER 402.A OG no hydrogen 2.905 N/A GLN 326.A N GLN 322.A O no hydrogen 2.878 N/A MET 327.A N LEU 323.A O no hydrogen 2.860 N/A GLU 328.A N VAL 324.A O no hydrogen 2.999 N/A GLY 329.A N ARG 325.A O no hydrogen 2.945 N/A GLU 330.A N GLN 326.A O no hydrogen 2.994 N/A GLY 331.A N GLU 328.A O no hydrogen 3.013 N/A VAL 332.A N MET 327.A O no hydrogen 2.945 N/A THR 334.A N ASP 337.A OD1 no hydrogen 2.946 N/A ASP 337.A N THR 334.A OG1 no hydrogen 3.075 N/A LEU 338.A N THR 334.A O no hydrogen 3.109 N/A GLU 339.A N LYS 335.A O no hydrogen 3.231 N/A ASN 340.A N ASP 337.A O no hydrogen 3.117 N/A HIS 342.A N ASN 340.A OD1 no hydrogen 2.818 N/A LEU 343.A N ASN 340.A O no hydrogen 3.313 N/A LYS 347.A NZ VAL 332.A O no hydrogen 2.825 N/A LYS 347.A NZ ASP 337.A OD1 no hydrogen 2.713 N/A LYS 347.A NZ ASP 337.A OD2 no hydrogen 3.523 N/A ILE 348.A N GLU 345.A O no hydrogen 3.025 N/A THR 349.A N GLU 345.A O no hydrogen 3.067 N/A GLN 350.A N LYS 346.A O no hydrogen 2.914 N/A TRP 351.A N LYS 347.A O no hydrogen 3.088 N/A TRP 351.A NE1 GLU 330.A OE1 no hydrogen 2.891 N/A LEU 352.A N ILE 348.A O no hydrogen 2.953 N/A GLU 353.A N THR 349.A O no hydrogen 2.816 N/A THR 354.A N GLN 350.A O no hydrogen 2.965 N/A THR 354.A OG1 GLN 350.A O no hydrogen 2.709 N/A LYS 355.A N TRP 351.A O no hydrogen 2.702 N/A GLY 356.A N TRP 351.A O no hydrogen 3.161 N/A GLY 356.A N LEU 352.A O no hydrogen 2.957 N/A ARG 359.A N LYS 355.A O no hydrogen 2.844 N/A ARG 359.A NE GLU 330.A OE2 no hydrogen 2.722 N/A ARG 359.A NH1 GLU 358.A OE2 no hydrogen 2.861 N/A ARG 359.A NH2 GLU 330.A OE1 no hydrogen 2.882 N/A LEU 360.A N GLY 356.A O no hydrogen 2.889 N/A LYS 361.A N VAL 357.A O no hydrogen 3.062 N/A ARG 362.A N ARG 359.A O no hydrogen 3.284 N/A ARG 362.A NE GLU 358.A OE1 no hydrogen 3.267 N/A ARG 362.A NE GLU 358.A OE2 no hydrogen 2.817 N/A ARG 362.A NH1 PRO 230.A O no hydrogen 2.890 N/A ARG 362.A NH1 LYS 373.A O no hydrogen 2.993 N/A ARG 362.A NH2 PRO 230.A O no hydrogen 2.993 N/A ARG 362.A NH2 GLU 358.A OE1 no hydrogen 2.988 N/A MET 363.A N LEU 360.A O no hydrogen 3.091 N/A ALA 364.A N VAL 371.A O no hydrogen 2.981 N/A ILE 365.A N SER 209.A O no hydrogen 2.804 N/A SER 366.A N ASP 369.A O no hydrogen 2.793 N/A SER 366.A OG TYR 311.A OH no hydrogen 2.610 N/A SER 366.A OG HIS 503.A NE2 no hydrogen 3.148 N/A GLY 367.A N THR 315.A OG1 no hydrogen 2.862 N/A ASP 369.A N SER 366.A O no hydrogen 2.934 N/A CYS 370.A SG ASP 237.A O no hydrogen 3.885 N/A VAL 371.A N ALA 364.A O no hydrogen 2.850 N/A VAL 372.A N TYR 235.A O no hydrogen 2.818 N/A LYS 373.A N ARG 362.A O no hydrogen 2.852 N/A LYS 373.A NZ ILE 229.A O no hydrogen 2.839 N/A LYS 373.A NZ GLY 232.A O no hydrogen 2.907 N/A ARG 378.A N ASP 376.A OD1 no hydrogen 2.977 N/A ARG 378.A NE ASP 376.A OD1 no hydrogen 2.928 N/A ARG 378.A NE ASP 376.A OD2 no hydrogen 3.330 N/A ARG 378.A NH2 ASP 376.A OD2 no hydrogen 2.837 N/A ALA 380.A N ASP 377.A O no hydrogen 3.061 N/A ASN 381.A N ARG 378.A O no hydrogen 3.158 N/A ALA 382.A N PHE 379.A O no hydrogen 3.065 N/A LEU 384.A N GLU 328.A OE1 no hydrogen 3.005 N/A ALA 385.A N GLU 328.A OE2 no hydrogen 2.730 N/A ASN 387.A N LEU 383.A O no hydrogen 2.993 N/A ASP 388.A N LEU 384.A O no hydrogen 3.012 N/A MET 389.A N ALA 385.A O no hydrogen 2.791 N/A GLY 390.A N ASN 387.A O no hydrogen 3.012 N/A LYS 391.A N LEU 386.A O no hydrogen 3.089 N/A LYS 391.A NZ ARG 245.A O no hydrogen 2.892 N/A LYS 391.A NZ ASP 250.A OD1 no hydrogen 2.712 N/A LYS 391.A NZ MET 389.A O no hydrogen 3.025 N/A VAL 392.A N GLY 390.A O no hydrogen 2.905 N/A ARG 393.A NH1 GLN 400.A O no hydrogen 2.879 N/A ARG 393.A NH1 SER 402.A OG no hydrogen 2.902 N/A ARG 393.A NH2 GLN 398.A O no hydrogen 2.932 N/A ARG 393.A NH2 GLN 400.A O no hydrogen 2.815 N/A LYS 394.A N ASP 238.A O no hydrogen 2.833 N/A LYS 394.A NZ ASP 238.A OD2 no hydrogen 3.149 N/A GLN 400.A N PRO 397.A O no hydrogen 3.188 N/A SER 402.A N ALA 380.A O no hydrogen 2.900 N/A SER 402.A OG ASP 237.A OD1 no hydrogen 3.509 N/A SER 402.A OG ASP 237.A OD2 no hydrogen 2.502 N/A LYS 403.A NZ GLY 404.A O no hydrogen 3.383 N/A TRP 405.A N MET 234.A O no hydrogen 2.801 N/A GLN 409.A N ASP 407.A OD1.A no hydrogen 2.980 N/A GLN 410.A N ASP 407.A O no hydrogen 2.915 N/A VAL 411.A N TRP 408.A O no hydrogen 3.230 N/A PHE 413.A N HIS 416.A O no hydrogen 2.883 N/A CYS 414.A N ASP 369.A OD2 no hydrogen 2.621 N/A CYS 414.A SG ASP 369.A OD2 no hydrogen 3.896 N/A CYS 414.A SG HIS 503.A NE2 no hydrogen 3.119 N/A HIS 416.A N PHE 413.A O no hydrogen 2.912 N/A HIS 416.A ND1 CYS 414.A O no hydrogen 2.851 N/A HIS 416.A NE2 TYR 471.A OH no hydrogen 2.570 N/A HIS 417.A N CYS 433.A O no hydrogen 3.013 N/A HIS 419.A N VAL 431.A O no hydrogen 2.960 N/A LEU 421.A N LEU 429.A O no hydrogen 2.765 N/A MET 423.A N ARG 427.A O no hydrogen 2.794 N/A LYS 424.A NZ GLU 539.A O no hydrogen 2.837 N/A GLY 426.A N MET 423.A O no hydrogen 2.797 N/A ARG 427.A N ASP 425.A OD1 no hydrogen 3.088 N/A ARG 427.A NE ASP 425.A OD1 no hydrogen 3.118 N/A ARG 427.A NE ASP 425.A OD2 no hydrogen 3.043 N/A ARG 427.A NH1 ASP 531.A O no hydrogen 2.788 N/A ARG 427.A NH1 THR 533.A O no hydrogen 2.780 N/A ARG 427.A NH2 ASP 425.A OD2 no hydrogen 2.841 N/A ARG 427.A NH2 THR 533.A O no hydrogen 2.984 N/A LYS 428.A NZ GLU 420.A OE2 no hydrogen 3.564 N/A LEU 429.A N LEU 421.A O no hydrogen 2.956 N/A VAL 430.A N TYR 221.A OH no hydrogen 3.266 N/A VAL 431.A N HIS 419.A O no hydrogen 2.823 N/A CYS 433.A N HIS 417.A O no hydrogen 2.864 N/A CYS 433.A SG HIS 417.A NE2 no hydrogen 3.507 N/A CYS 433.A SG HIS 419.A NE2 no hydrogen 3.510 N/A CYS 433.A SG ARG 434.A O no hydrogen 3.904 N/A ARG 434.A NE GLU 438.A OE1 no hydrogen 2.866 N/A ARG 434.A NH2 GLU 438.A OE1 no hydrogen 3.098 N/A GLN 436.A N CYS 552.A O no hydrogen 3.013 N/A GLN 436.A NE2 ASP 476.A OD2 no hydrogen 2.876 N/A GLU 438.A N PRO 435.A O no hydrogen 3.018 N/A ILE 440.A N GLN 436.A O no hydrogen 3.044 N/A GLY 441.A N ASP 437.A O no hydrogen 2.772 N/A ARG 442.A N GLU 438.A O no hydrogen 3.058 N/A ALA 443.A N LEU 439.A O no hydrogen 3.106 N/A ARG 444.A N ILE 440.A O no hydrogen 3.067 N/A ARG 444.A NH1 THR 57.A OG1 no hydrogen 3.024 N/A ARG 444.A NH1 ASP 61.A OD1 no hydrogen 2.894 N/A ARG 444.A NH2 ASP 61.A OD1 no hydrogen 2.779 N/A ILE 445.A N ARG 442.A O no hydrogen 3.055 N/A SER 446.A N MET 48.A O no hydrogen 2.811 N/A SER 452.A N GLU 455.A OE1 no hydrogen 2.975 N/A SER 452.A OG GLU 455.A OE1 no hydrogen 3.136 N/A GLU 455.A N SER 452.A OG no hydrogen 3.380 N/A THR 456.A N SER 452.A O no hydrogen 3.114 N/A THR 456.A OG1 SER 452.A O no hydrogen 2.930 N/A ALA 457.A N LEU 453.A O no hydrogen 2.786 N/A CYS 458.A N ARG 454.A O no hydrogen 2.959 N/A CYS 458.A SG ARG 454.A O no hydrogen 3.186 N/A CYS 458.A SG VAL 493.A O no hydrogen 3.394 N/A LEU 459.A N GLU 455.A O no hydrogen 3.031 N/A GLY 460.A N THR 456.A O no hydrogen 2.995 N/A LYS 461.A N ALA 457.A O no hydrogen 2.821 N/A LYS 461.A NZ PRO 489.A O no hydrogen 3.453 N/A LYS 461.A NZ VAL 490.A O no hydrogen 3.009 N/A LYS 461.A NZ TRP 492.A O no hydrogen 2.825 N/A ALA 462.A N CYS 458.A O no hydrogen 2.970 N/A TYR 463.A N LEU 459.A O no hydrogen 3.030 N/A TYR 463.A OH THR 498.A O no hydrogen 2.784 N/A ALA 464.A N GLY 460.A O no hydrogen 2.910 N/A GLN 465.A N LYS 461.A O no hydrogen 2.893 N/A MET 466.A N ALA 462.A O no hydrogen 2.918 N/A TRP 467.A N TYR 463.A O no hydrogen 2.892 N/A SER 468.A N ALA 464.A O no hydrogen 2.920 N/A SER 468.A OG ALA 464.A O no hydrogen 3.173 N/A SER 468.A OG SER 481.A OG no hydrogen 2.667 N/A LEU 469.A N GLN 465.A O no hydrogen 3.066 N/A LEU 469.A N MET 466.A O no hydrogen 3.176 N/A MET 470.A N MET 466.A O no hydrogen 2.852 N/A TYR 471.A N TRP 467.A O no hydrogen 2.921 N/A TYR 471.A OH HIS 416.A NE2 no hydrogen 2.570 N/A ARG 474.A N TYR 471.A O no hydrogen 3.097 N/A ARG 474.A NE ASP 549.A OD1 no hydrogen 2.808 N/A ARG 474.A NH1 ASP 549.A O no hydrogen 3.020 N/A ARG 474.A NH1 ASP 549.A OD1 no hydrogen 3.130 N/A ARG 474.A NH1 CYS 552.A O no hydrogen 2.852 N/A ARG 474.A NH2 ARG 434.A O no hydrogen 3.097 N/A ARG 474.A NH2 CYS 552.A O no hydrogen 3.402 N/A ARG 475.A N ASP 549.A OD2 no hydrogen 2.990 N/A ARG 475.A NH1 LEU 544.A O no hydrogen 2.753 N/A ARG 475.A NH1 ASP 549.A OD2 no hydrogen 2.839 N/A ARG 475.A NH2 LEU 544.A O no hydrogen 3.045 N/A ARG 478.A N ARG 474.A O no hydrogen 2.924 N/A ARG 478.A NE PHE 472.A O no hydrogen 2.881 N/A ARG 478.A NH1 TRP 538.A O no hydrogen 2.917 N/A ARG 478.A NH1 VAL 541.A O no hydrogen 3.318 N/A ARG 478.A NH2 PHE 472.A O no hydrogen 2.998 N/A ARG 478.A NH2 VAL 541.A O no hydrogen 2.879 N/A LEU 479.A N ARG 475.A O no hydrogen 3.135 N/A ALA 480.A N ASP 476.A O no hydrogen 2.851 N/A SER 481.A N LEU 477.A O no hydrogen 2.740 N/A SER 481.A OG ALA 464.A O no hydrogen 2.682 N/A SER 481.A OG SER 468.A OG no hydrogen 2.667 N/A ASN 482.A N ARG 478.A O no hydrogen 2.971 N/A ALA 483.A N LEU 479.A O no hydrogen 3.045 N/A ILE 484.A N ALA 480.A O no hydrogen 2.915 N/A CYS 485.A N SER 481.A O no hydrogen 2.925 N/A CYS 485.A SG SER 481.A O no hydrogen 3.420 N/A SER 486.A N ASN 482.A O no hydrogen 2.970 N/A SER 486.A N ALA 483.A O no hydrogen 3.254 N/A SER 486.A OG ASN 482.A O no hydrogen 2.724 N/A ALA 487.A N ALA 483.A O no hydrogen 3.043 N/A ALA 487.A N ILE 484.A O no hydrogen 3.128 N/A VAL 488.A N ILE 484.A O no hydrogen 3.044 N/A VAL 490.A N GLU 583.A O no hydrogen 3.072 N/A TRP 492.A N PRO 489.A O no hydrogen 3.072 N/A ARG 497.A N SER 496.A OG no hydrogen 2.694 N/A ARG 497.A NE THR 499.A O no hydrogen 3.098 N/A ARG 497.A NH1 ASN 134.A OD1 no hydrogen 3.214 N/A SER 501.A N THR 499.A OG1 no hydrogen 2.982 N/A HIS 503.A N SER 501.A OG no hydrogen 3.130 N/A ALA 504.A N SER 501.A O no hydrogen 3.160 N/A MET 509.A N HIS 506.A O no hydrogen 3.048 N/A GLU 512.A N THR 510.A OG1 no hydrogen 2.958 N/A THR 516.A N ASP 513.A OD1 no hydrogen 2.921 N/A THR 516.A OG1 ASP 513.A OD1 no hydrogen 2.828 N/A VAL 517.A N ASP 513.A O no hydrogen 3.133 N/A TRP 518.A N MET 514.A O no hydrogen 2.756 N/A ASN 519.A N LEU 515.A O no hydrogen 2.898 N/A ASN 519.A ND2 LEU 515.A O no hydrogen 3.327 N/A ASN 519.A ND2 VAL 535.A O no hydrogen 2.514 N/A ARG 520.A N THR 516.A O no hydrogen 3.066 N/A ARG 520.A NH1 GLU 512.A OE1 no hydrogen 2.619 N/A ARG 520.A NH2 GLU 512.A OE1 no hydrogen 3.463 N/A ARG 520.A NH2 GLU 512.A OE2 no hydrogen 3.309 N/A VAL 521.A N VAL 517.A O no hydrogen 2.889 N/A TRP 522.A N TRP 518.A O no hydrogen 2.838 N/A TRP 522.A NE1 LEU 469.A O no hydrogen 2.767 N/A ILE 523.A N ASN 519.A O no hydrogen 2.917 N/A GLU 524.A N ASN 519.A O no hydrogen 2.901 N/A GLU 525.A N ARG 520.A O no hydrogen 2.858 N/A ASN 526.A N ILE 523.A O no hydrogen 3.386 N/A ASN 526.A ND2 TYR 221.A OH no hydrogen 3.005 N/A ASN 526.A ND2 TRP 522.A O no hydrogen 2.912 N/A TRP 528.A N ASN 526.A OD1 no hydrogen 2.987 N/A TRP 528.A NE1 ASP 225.A OD2 no hydrogen 2.808 N/A MET 529.A N ASN 526.A O no hydrogen 2.995 N/A LYS 532.A NZ ILE 523.A O no hydrogen 3.024 N/A LYS 532.A NZ GLU 524.A O no hydrogen 3.188 N/A LYS 532.A NZ MET 529.A O no hydrogen 2.779 N/A THR 533.A N ASP 531.A OD2 no hydrogen 3.044 N/A THR 533.A OG1 ASP 531.A OD2 no hydrogen 2.573 N/A VAL 535.A N ASN 519.A OD1 no hydrogen 2.817 N/A THR 537.A OG1 GLU 539.A OE1 no hydrogen 3.212 N/A GLU 539.A N THR 537.A OG1 no hydrogen 3.194 N/A ASN 540.A N THR 537.A O no hydrogen 2.993 N/A VAL 541.A N TRP 538.A O no hydrogen 2.970 N/A LEU 544.A N HIS 473.A O no hydrogen 2.865 N/A ASP 549.A N GLY 545.A O no hydrogen 2.932 N/A GLN 550.A N LYS 546.A O no hydrogen 3.024 N/A GLN 550.A NE2 ILE 556.A O no hydrogen 3.250 N/A TRP 551.A N ARG 547.A O no hydrogen 2.869 N/A CYS 552.A N GLU 548.A O no hydrogen 2.884 N/A CYS 552.A SG HIS 417.A NE2 no hydrogen 3.384 N/A CYS 552.A SG HIS 419.A NE2 no hydrogen 3.706 N/A CYS 552.A SG GLU 548.A O no hydrogen 3.645 N/A GLY 553.A N GLN 550.A O no hydrogen 2.926 N/A SER 554.A N ASP 549.A O no hydrogen 2.897 N/A SER 554.A OG ASP 476.A OD1 no hydrogen 3.428 N/A SER 554.A OG ASP 476.A OD2 no hydrogen 3.307 N/A LEU 555.A N ASP 476.A OD2 no hydrogen 2.739 N/A ILE 556.A N SER 554.A OG no hydrogen 3.134 N/A LEU 558.A N LEU 555.A O no hydrogen 2.960 N/A ARG 561.A NE ASP 476.A OD1 no hydrogen 2.744 N/A ARG 561.A NH2 ASP 476.A OD1 no hydrogen 2.976 N/A ALA 562.A N LEU 558.A O no hydrogen 3.049 N/A THR 563.A N THR 559.A O no hydrogen 2.850 N/A THR 563.A OG1 THR 559.A O no hydrogen 3.018 N/A TRP 564.A N SER 560.A O no hydrogen 3.045 N/A TRP 564.A NE1 LEU 56.A O no hydrogen 2.837 N/A ALA 565.A N ARG 561.A O no hydrogen 2.915 N/A GLN 566.A N ALA 562.A O no hydrogen 3.063 N/A ASN 567.A N THR 563.A O no hydrogen 2.965 N/A ASN 567.A ND2 THR 563.A O no hydrogen 2.946 N/A THR 570.A N ASN 567.A O no hydrogen 3.193 N/A ILE 572.A N ILE 568.A O no hydrogen 2.968 N/A GLN 573.A N PRO 569.A O no hydrogen 2.963 N/A GLN 574.A N THR 570.A O no hydrogen 3.012 N/A VAL 575.A N ALA 571.A O no hydrogen 3.095 N/A ARG 576.A N ILE 572.A O no hydrogen 2.898 N/A ARG 576.A NE SER 486.A O no hydrogen 2.858 N/A ARG 576.A NH2 SER 486.A O no hydrogen 2.892 N/A SER 577.A N GLN 573.A O no hydrogen 2.852 N/A SER 577.A OG GLN 573.A O no hydrogen 3.420 N/A SER 577.A OG GLN 574.A O no hydrogen 2.802 N/A LEU 578.A N GLN 574.A O no hydrogen 3.221 N/A ILE 579.A N VAL 575.A O no hydrogen 2.971 N/A GLY 580.A N ARG 576.A O no hydrogen 2.869 N/A GLU 582.A N GLY 580.A O no hydrogen 3.081 N/A TYR 587.A N SER 486.A OG no hydrogen 2.792 N/A MET 588.A N ASP 586.A OD2 no hydrogen 3.347 N/A