Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLN 11.A O no hydrogen 2.950 N/A CYS 4.A N GLU 102.A OE1 no hydrogen 3.035 N/A THR 5.A OG1 GLU 102.A OE1 no hydrogen 2.532 N/A ARG 8.A NH1 VAL 111.A O no hydrogen 2.914 N/A PHE 9.A N ASN 7.A OD1 no hydrogen 2.717 N/A GLN 11.A N VAL 3.A O no hydrogen 2.721 N/A ARG 13.A N THR 1.A O no hydrogen 3.235 N/A THR 15.A N PRO 12.A O no hydrogen 3.035 N/A VAL 16.A N ARG 13.A O no hydrogen 2.939 N/A LEU 17.A N GLU 343.A OE1 no hydrogen 3.425 N/A LEU 17.A N GLU 343.A OE2 no hydrogen 2.961 N/A THR 20.A OG1 ALA 18.A O no hydrogen 2.765 N/A THR 21.A N TYR 103.A O no hydrogen 2.885 N/A VAL 23.A N VAL 101.A O no hydrogen 2.916 N/A THR 24.A N ASP 27.A OD2 no hydrogen 2.958 N/A ARG 25.A NE ASP 29.A OD1 no hydrogen 2.886 N/A ARG 25.A NH1 ILE 95.A O no hydrogen 3.136 N/A ARG 25.A NH1 VAL 98.A O no hydrogen 2.723 N/A ARG 25.A NH2 ASP 29.A OD1 no hydrogen 2.867 N/A ASP 27.A N THR 24.A OG1 no hydrogen 3.064 N/A ILE 28.A N THR 24.A O no hydrogen 3.187 N/A ASP 29.A N ARG 25.A O no hydrogen 2.807 N/A ARG 30.A N GLN 26.A O no hydrogen 3.044 N/A ARG 30.A NE ASP 504.A OD1 no hydrogen 3.409 N/A ARG 30.A NE ASP 504.A OD2 no hydrogen 2.849 N/A ARG 30.A NH1 ASP 497.A OD1 no hydrogen 2.914 N/A ARG 30.A NH2 ASP 497.A OD1 no hydrogen 2.819 N/A ARG 30.A NH2 ASP 504.A OD1 no hydrogen 3.183 N/A TRP 31.A N ASP 27.A O no hydrogen 2.894 N/A GLN 32.A N ILE 28.A O no hydrogen 2.960 N/A GLN 32.A N ASP 29.A O no hydrogen 3.210 N/A GLN 32.A NE2 GLY 552.A O no hydrogen 2.796 N/A SER 33.A OG ASP 38.A OD2 no hydrogen 2.792 N/A ASN 37.A ND2 SER 58.A OG no hydrogen 2.863 N/A ASP 38.A N SER 35.A OG no hydrogen 3.056 N/A LEU 40.A N VAL 36.A O no hydrogen 2.835 N/A ARG 41.A N ASN 37.A O no hydrogen 2.784 N/A ARG 41.A NE ASP 38.A OD1 no hydrogen 2.984 N/A ARG 42.A N VAL 39.A O no hydrogen 3.302 N/A ARG 42.A NE ASP 38.A O no hydrogen 2.782 N/A ARG 42.A NE ASP 38.A OD2 no hydrogen 3.336 N/A ARG 42.A NH1 THR 508.A OG1 no hydrogen 3.361 N/A ARG 42.A NH2 ASP 38.A OD1 no hydrogen 3.553 N/A ARG 42.A NH2 ASP 38.A OD2 no hydrogen 2.777 N/A LEU 43.A N LEU 40.A O no hydrogen 3.030 N/A GLY 45.A N ASP 471.A OD2 no hydrogen 2.766 N/A VAL 46.A N LEU 43.A O no hydrogen 3.430 N/A ASP 47.A N PHE 61.A O no hydrogen 2.960 N/A THR 49.A N SER 59.A O no hydrogen 3.032 N/A GLN 50.A N THR 564.A OG1 no hydrogen 2.843 N/A GLN 50.A NE2 GLN 56.A O no hydrogen 3.091 N/A ASN 51.A N LEU 57.A O no hydrogen 2.935 N/A GLY 53.A N GLN 56.A OE1 no hydrogen 2.623 N/A GLN 56.A N GLY 53.A O no hydrogen 3.101 N/A GLN 56.A NE2 ASP 189.A O no hydrogen 2.735 N/A GLN 56.A NE2 ASN 222.A O no hydrogen 2.966 N/A SER 58.A N ASP 89.A OD1 no hydrogen 3.116 N/A SER 58.A OG ASN 37.A OD1 no hydrogen 3.152 N/A SER 58.A OG ASP 89.A OD1 no hydrogen 3.529 N/A SER 59.A N THR 49.A O no hydrogen 2.902 N/A PHE 61.A N ASP 47.A O no hydrogen 2.941 N/A ARG 63.A N GLY 45.A O no hydrogen 2.788 N/A ARG 63.A NH1 GLU 408.A OE1 no hydrogen 2.866 N/A ARG 63.A NH2 GLU 408.A OE2 no hydrogen 3.150 N/A ARG 63.A NH2 GLU 454.A OE1 no hydrogen 2.747 N/A THR 65.A N ILE 62.A O no hydrogen 3.008 N/A THR 65.A OG1 ILE 62.A O no hydrogen 2.837 N/A HIS 69.A N ASN 66.A O no hydrogen 2.652 N/A HIS 69.A NE2 GLU 402.A OE1 no hydrogen 2.673 N/A LEU 71.A N GLY 119.A O no hydrogen 3.265 N/A LEU 73.A N VAL 121.A O no hydrogen 2.675 N/A ILE 74.A N VAL 77.A O no hydrogen 2.898 N/A ASP 75.A N ILE 123.A O no hydrogen 2.797 N/A GLY 76.A N ASN 122.A OD1 no hydrogen 3.092 N/A VAL 77.A N ILE 74.A O no hydrogen 3.150 N/A ARG 78.A NE ASP 115.A OD2 no hydrogen 2.911 N/A ARG 78.A NH1 GLN 312.A OE1 no hydrogen 2.528 N/A ARG 78.A NH2 TYR 112.A O no hydrogen 3.342 N/A ARG 78.A NH2 SER 114.A O no hydrogen 2.962 N/A LEU 79.A N VAL 72.A O no hydrogen 3.041 N/A ASN 80.A ND2 MET 287.A O no hydrogen 3.526 N/A SER 91.A N ASP 89.A OD1 no hydrogen 3.242 N/A SER 91.A OG GLN 56.A O no hydrogen 3.232 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.370 N/A SER 91.A OG ASP 89.A OD2 no hydrogen 3.073 N/A GLN 92.A N ASP 89.A O no hydrogen 3.099 N/A GLN 92.A NE2 SER 91.A OG no hydrogen 3.343 N/A GLN 92.A NE2 THR 221.A OG1 no hydrogen 3.267 N/A PHE 93.A N LEU 90.A O no hydrogen 3.306 N/A LEU 97.A N PRO 94.A O no hydrogen 3.063 N/A VAL 98.A N ILE 95.A O no hydrogen 2.851 N/A GLN 99.A N ILE 124.A O no hydrogen 2.974 N/A ARG 100.A N ILE 124.A O no hydrogen 3.278 N/A ARG 100.A NE GLU 102.A OE2 no hydrogen 2.843 N/A ARG 100.A NH2 GLU 102.A OE2 no hydrogen 3.300 N/A VAL 101.A N VAL 23.A O no hydrogen 2.866 N/A GLU 102.A N ASN 122.A O no hydrogen 2.870 N/A TYR 103.A N THR 21.A O no hydrogen 3.037 N/A TYR 103.A OH PRO 44.A O no hydrogen 2.773 N/A ILE 104.A N VAL 120.A O no hydrogen 2.928 N/A ARG 105.A N PRO 19.A O no hydrogen 2.961 N/A ARG 105.A NE GLU 454.A OE1 no hydrogen 2.867 N/A ARG 105.A NE GLU 454.A OE2 no hydrogen 3.394 N/A ARG 105.A NH1 THR 21.A OG1 no hydrogen 2.697 N/A ARG 105.A NH2 GLU 454.A OE2 no hydrogen 2.662 N/A GLY 106.A N GLY 118.A O no hydrogen 2.859 N/A ARG 108.A N ALA 116.A O no hydrogen 2.953 N/A ARG 108.A NH1 ALA 6.A O no hydrogen 2.892 N/A SER 109.A OG GLY 113.A O no hydrogen 2.573 N/A VAL 111.A N ARG 108.A O no hydrogen 3.230 N/A TYR 112.A N ARG 108.A O no hydrogen 3.114 N/A TYR 112.A OH THR 5.A O no hydrogen 2.578 N/A GLY 113.A N SER 109.A O no hydrogen 2.654 N/A SER 114.A OG ASP 115.A OD1 no hydrogen 2.645 N/A ASP 115.A N TYR 382.A O no hydrogen 2.971 N/A ILE 117.A N ASP 115.A O no hydrogen 2.840 N/A GLY 118.A N HIS 69.A O no hydrogen 2.950 N/A VAL 120.A N ILE 104.A O no hydrogen 2.754 N/A VAL 121.A N LEU 71.A O no hydrogen 2.751 N/A ASN 122.A N GLU 102.A O no hydrogen 2.763 N/A ASN 122.A ND2 THR 5.A OG1 no hydrogen 2.846 N/A ILE 123.A N LEU 73.A O no hydrogen 2.762 N/A ILE 124.A N ARG 100.A O no hydrogen 2.835 N/A THR 125.A N ASP 75.A OD1 no hydrogen 2.713 N/A THR 125.A OG1 ASP 75.A OD1 no hydrogen 3.178 N/A THR 125.A OG1 ASP 75.A OD2 no hydrogen 2.529 N/A THR 125.A OG1 TYR 197.A OH no hydrogen 3.384 N/A GLU 129.A N GLN 151.A OE1 no hydrogen 3.520 N/A GLY 131.A N GLN 151.A O no hydrogen 3.015 N/A GLU 133.A N SER 149.A O no hydrogen 2.793 N/A ILE 134.A N TYR 581.A O no hydrogen 3.026 N/A SER 135.A N ASP 147.A O no hydrogen 2.878 N/A ALA 136.A N GLY 579.A O no hydrogen 3.085 N/A GLY 137.A N ASN 145.A O no hydrogen 3.148 N/A TRP 138.A N LEU 577.A O no hydrogen 2.982 N/A GLY 139.A N TYR 143.A O no hydrogen 2.933 N/A SER 140.A N TYR 575.A O no hydrogen 2.955 N/A TYR 143.A N GLY 139.A O no hydrogen 3.207 N/A TYR 143.A N SER 140.A O no hydrogen 3.120 N/A GLN 144.A N HIS 168.A O no hydrogen 2.886 N/A GLN 144.A NE2 TYR 146.A OH no hydrogen 3.303 N/A ASN 145.A N GLY 137.A O no hydrogen 2.823 N/A TYR 146.A N TYR 166.A O no hydrogen 2.967 N/A ASP 147.A N SER 135.A O no hydrogen 2.913 N/A VAL 148.A N GLY 164.A O no hydrogen 3.190 N/A SER 149.A N GLU 133.A O no hydrogen 2.969 N/A THR 150.A N LEU 162.A O no hydrogen 3.029 N/A GLN 151.A N GLY 131.A O no hydrogen 2.921 N/A GLN 152.A N VAL 160.A O no hydrogen 3.221 N/A LEU 154.A N THR 158.A O no hydrogen 2.894 N/A THR 158.A OG1 HIS 202.A ND1 no hydrogen 2.871 N/A ARG 159.A N GLU 201.A O no hydrogen 2.959 N/A VAL 160.A N GLN 152.A O no hydrogen 3.052 N/A THR 161.A N ALA 199.A O no hydrogen 2.835 N/A LEU 162.A N THR 150.A O no hydrogen 3.037 N/A LEU 163.A N TYR 197.A O no hydrogen 2.867 N/A GLY 164.A N VAL 148.A O no hydrogen 3.042 N/A ASP 165.A N THR 195.A O no hydrogen 2.747 N/A TYR 166.A N TYR 146.A O no hydrogen 2.957 N/A ALA 167.A N SER 193.A O no hydrogen 2.919 N/A THR 169.A N PHE 191.A O no hydrogen 2.838 N/A THR 169.A OG1 ASN 141.A O no hydrogen 3.358 N/A HIS 170.A N ASN 141.A O no hydrogen 3.001 N/A GLY 171.A N THR 169.A OG1 no hydrogen 3.232 N/A TYR 172.A OH GLN 569.A O no hydrogen 2.790 N/A VAL 174.A N ASP 189.A OD2 no hydrogen 3.018 N/A VAL 175.A N ASP 173.A OD1 no hydrogen 3.072 N/A ALA 176.A N VAL 174.A O no hydrogen 2.908 N/A TYR 177.A N GLY 567.A O no hydrogen 3.003 N/A TYR 177.A OH SER 521.A OG no hydrogen 2.967 N/A ASN 179.A N ALA 176.A O no hydrogen 2.962 N/A ASN 179.A ND2 ALA 176.A O no hydrogen 3.292 N/A THR 180.A OG1 GLN 183.A O no hydrogen 2.655 N/A THR 182.A N TYR 227.A O no hydrogen 2.951 N/A THR 182.A OG1 TYR 227.A O no hydrogen 2.929 N/A GLN 185.A NE2 THR 180.A O no hydrogen 3.658 N/A GLN 185.A NE2 ALA 225.A O no hydrogen 2.977 N/A ASP 189.A N TYR 172.A O no hydrogen 3.064 N/A PHE 191.A N THR 169.A O no hydrogen 3.007 N/A LEU 192.A N ARG 220.A O no hydrogen 2.966 N/A SER 193.A N ALA 167.A O no hydrogen 3.055 N/A SER 193.A OG ASN 219.A OD1 no hydrogen 2.916 N/A LYS 194.A N ASP 218.A O no hydrogen 3.064 N/A THR 195.A N ASP 165.A O no hydrogen 2.729 N/A LEU 196.A N GLY 216.A O no hydrogen 2.984 N/A TYR 197.A N LEU 163.A O no hydrogen 2.904 N/A TYR 197.A OH THR 125.A OG1 no hydrogen 3.384 N/A GLY 198.A N GLY 214.A O no hydrogen 2.771 N/A ALA 199.A N THR 161.A O no hydrogen 2.973 N/A LEU 200.A N VAL 212.A O no hydrogen 2.764 N/A GLU 201.A N ARG 159.A O no hydrogen 2.940 N/A HIS 202.A N GLY 210.A O no hydrogen 2.811 N/A HIS 202.A ND1 THR 158.A OG1 no hydrogen 2.871 N/A ASN 203.A N LYS 157.A O no hydrogen 2.983 N/A THR 205.A N TRP 208.A O no hydrogen 3.374 N/A ALA 207.A N THR 205.A OG1 no hydrogen 3.122 N/A TRP 208.A N THR 205.A OG1 no hydrogen 2.804 N/A SER 209.A N ARG 249.A O no hydrogen 3.000 N/A GLY 210.A N HIS 202.A O no hydrogen 2.752 N/A PHE 211.A N GLY 247.A O no hydrogen 3.111 N/A VAL 212.A N LEU 200.A O no hydrogen 2.897 N/A ARG 213.A N ASP 245.A O no hydrogen 2.758 N/A GLY 214.A N GLY 198.A O no hydrogen 2.747 N/A TYR 215.A N SER 243.A O no hydrogen 3.058 N/A GLY 216.A N LEU 196.A O no hydrogen 2.848 N/A TYR 217.A N SER 241.A O no hydrogen 2.866 N/A ASP 218.A N LYS 194.A O no hydrogen 3.051 N/A ASN 219.A N LEU 239.A O no hydrogen 2.904 N/A ASN 219.A ND2 GLN 92.A O no hydrogen 2.811 N/A ASN 219.A ND2 GLN 92.A OE1 no hydrogen 2.798 N/A ARG 220.A N LEU 192.A O no hydrogen 2.821 N/A THR 221.A N ARG 237.A O no hydrogen 2.938 N/A THR 221.A OG1 GLY 55.A O no hydrogen 3.129 N/A ASN 222.A N GLY 190.A O no hydrogen 3.062 N/A TYR 223.A N ASP 235.A O no hydrogen 3.039 N/A TYR 223.A OH LEU 234.A O no hydrogen 3.306 N/A TYR 223.A OH ASN 270.A OD1 no hydrogen 2.729 N/A ALA 225.A N GLN 185.A OE1 no hydrogen 2.789 N/A TYR 227.A N THR 180.A O no hydrogen 3.200 N/A SER 231.A N SER 228.A O no hydrogen 2.806 N/A LEU 233.A N ASP 272.A OD2 no hydrogen 2.491 N/A ASP 235.A N TYR 271.A O no hydrogen 3.201 N/A THR 236.A OG1 ASP 235.A OD1 no hydrogen 2.981 N/A ARG 237.A N THR 221.A O no hydrogen 2.938 N/A ARG 237.A NE ASP 268.A OD1 no hydrogen 2.959 N/A ARG 237.A NH1 ASP 89.A OD2 no hydrogen 2.803 N/A ARG 237.A NH2 ASP 268.A OD2 no hydrogen 2.903 N/A LYS 238.A N TYR 269.A O no hydrogen 3.177 N/A LEU 239.A N ASN 219.A O no hydrogen 2.949 N/A TYR 240.A N LYS 267.A O no hydrogen 2.742 N/A SER 241.A N TYR 217.A O no hydrogen 2.926 N/A GLN 242.A N HIS 265.A O no hydrogen 2.958 N/A SER 243.A N TYR 215.A O no hydrogen 2.936 N/A SER 243.A OG TYR 215.A OH no hydrogen 3.078 N/A TRP 244.A N TYR 263.A O no hydrogen 2.778 N/A ASP 245.A N ARG 213.A O no hydrogen 2.688 N/A ALA 246.A N THR 261.A O no hydrogen 2.999 N/A GLY 247.A N PHE 211.A O no hydrogen 3.004 N/A LEU 248.A N LEU 259.A O no hydrogen 2.938 N/A ARG 249.A N SER 209.A O no hydrogen 2.774 N/A TYR 250.A N SER 257.A O no hydrogen 2.932 N/A ASN 251.A N ALA 207.A O no hydrogen 3.084 N/A GLY 252.A N ILE 255.A O no hydrogen 2.788 N/A LYS 256.A N ASN 297.A O no hydrogen 2.688 N/A LYS 256.A NZ GLU 10.A O no hydrogen 3.337 N/A SER 257.A N TYR 250.A O no hydrogen 2.978 N/A SER 257.A OG ALA 295.A O no hydrogen 3.462 N/A SER 257.A OG ASN 296.A OD1 no hydrogen 2.552 N/A GLN 258.A N ALA 295.A O no hydrogen 2.980 N/A GLN 258.A NE2 ARG 8.A O no hydrogen 3.578 N/A LEU 259.A N LEU 248.A O no hydrogen 2.999 N/A ILE 260.A N GLN 293.A O no hydrogen 2.828 N/A THR 261.A N ALA 246.A O no hydrogen 2.762 N/A SER 262.A N THR 291.A O no hydrogen 2.887 N/A SER 262.A OG ASP 245.A OD1 no hydrogen 2.999 N/A TYR 263.A N TRP 244.A O no hydrogen 2.769 N/A SER 264.A N GLN 289.A O no hydrogen 2.898 N/A HIS 265.A N GLN 242.A O no hydrogen 3.079 N/A HIS 265.A NE2 GLU 286.A OE2 no hydrogen 2.842 N/A SER 266.A N MET 287.A O no hydrogen 2.963 N/A LYS 267.A N TYR 240.A O no hydrogen 2.884 N/A ASP 268.A N ASP 285.A O no hydrogen 2.880 N/A TYR 269.A N LYS 238.A O no hydrogen 2.827 N/A ASN 270.A N THR 283.A O no hydrogen 3.084 N/A TYR 271.A N THR 236.A O no hydrogen 2.723 N/A HIS 274.A N ASP 272.A OD1 no hydrogen 3.177 N/A SER 281.A OG ASP 279.A OD2 no hydrogen 2.783 N/A ALA 282.A N ASP 279.A O no hydrogen 3.119 N/A THR 283.A N ASN 270.A O no hydrogen 2.952 N/A ASP 285.A N ASP 268.A O no hydrogen 2.950 N/A MET 287.A N SER 266.A O no hydrogen 3.086 N/A LYS 288.A N THR 315.A O no hydrogen 2.806 N/A GLN 289.A N SER 264.A O no hydrogen 2.802 N/A GLN 289.A NE2 ARG 78.A O no hydrogen 3.361 N/A TYR 290.A N LYS 313.A O no hydrogen 2.746 N/A THR 291.A N SER 262.A O no hydrogen 2.907 N/A VAL 292.A N TRP 311.A O no hydrogen 2.880 N/A GLN 293.A N ILE 260.A O no hydrogen 2.993 N/A GLN 293.A NE2 GLY 76.A O no hydrogen 3.452 N/A TRP 294.A N VAL 309.A O no hydrogen 3.052 N/A ALA 295.A N GLN 258.A O no hydrogen 2.918 N/A ASN 296.A N ALA 307.A O no hydrogen 2.737 N/A ASN 297.A N LYS 256.A O no hydrogen 2.819 N/A VAL 298.A N ILE 305.A O no hydrogen 2.828 N/A ILE 299.A N LEU 254.A O no hydrogen 3.068 N/A VAL 300.A N GLY 303.A O no hydrogen 2.889 N/A HIS 302.A N GLN 335.A OE1 no hydrogen 3.003 N/A SER 304.A N LEU 334.A O no hydrogen 2.893 N/A ILE 305.A N VAL 298.A O no hydrogen 2.946 N/A GLY 306.A N THR 332.A O no hydrogen 2.884 N/A ALA 307.A N ASN 296.A O no hydrogen 3.018 N/A GLY 308.A N TYR 330.A O no hydrogen 3.029 N/A VAL 309.A N TRP 294.A O no hydrogen 2.948 N/A ASP 310.A N GLY 328.A O no hydrogen 2.903 N/A TRP 311.A N VAL 292.A O no hydrogen 2.759 N/A GLN 312.A N ASN 326.A O no hydrogen 2.887 N/A LYS 313.A N TYR 290.A O no hydrogen 2.848 N/A GLN 314.A N GLN 324.A O no hydrogen 2.959 N/A GLN 314.A NE2 GLN 289.A OE1 no hydrogen 3.125 N/A THR 315.A N LYS 288.A O no hydrogen 2.803 N/A THR 316.A N TYR 322.A O no hydrogen 2.963 N/A THR 317.A N GLU 286.A O no hydrogen 3.077 N/A THR 317.A OG1 GLU 286.A OE1 no hydrogen 2.810 N/A TYR 322.A OH GLU 319.A OE1 no hydrogen 2.317 N/A GLN 324.A N GLN 314.A O no hydrogen 2.937 N/A ARG 325.A N SER 352.A OG no hydrogen 3.132 N/A ASN 326.A N GLN 312.A O no hydrogen 2.879 N/A ASN 326.A ND2 ASP 349.A OD1 no hydrogen 3.079 N/A THR 327.A N ASP 350.A O no hydrogen 2.956 N/A GLY 328.A N ASP 310.A O no hydrogen 2.849 N/A ILE 329.A N SER 348.A O no hydrogen 2.963 N/A TYR 330.A N GLY 308.A O no hydrogen 3.117 N/A LEU 331.A N ALA 346.A O no hydrogen 2.902 N/A THR 332.A N GLY 306.A O no hydrogen 2.790 N/A GLY 333.A N GLY 344.A O no hydrogen 2.880 N/A LEU 334.A N SER 304.A O no hydrogen 3.070 N/A GLN 335.A N PHE 342.A O no hydrogen 2.939 N/A GLN 335.A NE2 VAL 300.A O no hydrogen 2.848 N/A GLN 336.A N HIS 302.A O no hydrogen 2.864 N/A GLN 336.A NE2 THR 15.A OG1 no hydrogen 3.126 N/A VAL 337.A N PHE 340.A O no hydrogen 2.868 N/A PHE 340.A N VAL 337.A O no hydrogen 3.008 N/A THR 341.A N GLY 365.A O no hydrogen 3.001 N/A PHE 342.A N GLN 335.A O no hydrogen 2.848 N/A GLU 343.A N SER 363.A O no hydrogen 2.878 N/A GLY 344.A N GLY 333.A O no hydrogen 2.961 N/A ALA 345.A N GLN 361.A O no hydrogen 3.167 N/A ALA 346.A N LEU 331.A O no hydrogen 3.023 N/A ARG 347.A N THR 359.A O no hydrogen 2.947 N/A ARG 347.A NE ASP 349.A OD1 no hydrogen 3.106 N/A ARG 347.A NE ASP 349.A OD2 no hydrogen 2.738 N/A ARG 347.A NH1 VAL 111.A O no hydrogen 3.213 N/A ARG 347.A NH1 ASP 310.A OD2 no hydrogen 2.923 N/A ARG 347.A NH2 ASP 310.A OD2 no hydrogen 3.274 N/A ARG 347.A NH2 ASP 349.A OD1 no hydrogen 2.551 N/A SER 348.A N ILE 329.A O no hydrogen 2.771 N/A ASP 349.A N HIS 357.A O no hydrogen 2.881 N/A ASP 350.A N THR 327.A O no hydrogen 2.750 N/A ASN 351.A N GLY 355.A O no hydrogen 2.711 N/A ASN 351.A ND2 ASN 326.A OD1 no hydrogen 3.324 N/A SER 352.A N ARG 325.A O no hydrogen 2.912 N/A SER 352.A OG ARG 325.A O no hydrogen 3.366 N/A GLN 353.A N ASN 351.A OD1 no hydrogen 2.882 N/A GLN 353.A NE2 LEU 399.A O no hydrogen 3.191 N/A PHE 354.A N ASN 351.A OD1 no hydrogen 3.327 N/A GLY 355.A N ASN 351.A O no hydrogen 2.656 N/A ARG 356.A NE SER 348.A OG no hydrogen 3.366 N/A HIS 357.A N ASP 349.A O no hydrogen 2.978 N/A THR 359.A N ARG 347.A O no hydrogen 3.001 N/A TRP 360.A N THR 380.A OG1 no hydrogen 3.248 N/A GLN 361.A N ALA 345.A O no hydrogen 2.862 N/A GLN 361.A NE2 PRO 107.A O no hydrogen 3.105 N/A THR 362.A N TYR 378.A O no hydrogen 3.018 N/A SER 363.A N GLU 343.A O no hydrogen 2.807 N/A SER 363.A OG SER 377.A OG no hydrogen 2.729 N/A ALA 364.A N ALA 376.A O no hydrogen 2.825 N/A GLY 365.A N THR 341.A O no hydrogen 2.816 N/A TRP 366.A N PHE 374.A O no hydrogen 2.692 N/A GLU 367.A N ASP 339.A O no hydrogen 2.834 N/A GLY 371.A N GLU 367.A OE2 no hydrogen 2.727 N/A TYR 372.A N ILE 369.A O no hydrogen 2.910 N/A TYR 372.A OH THR 415.A OG1 no hydrogen 2.693 N/A ARG 373.A N GLU 412.A O no hydrogen 2.865 N/A ARG 373.A NE GLU 412.A OE2 no hydrogen 2.923 N/A ARG 373.A NH1 SER 14.A O no hydrogen 3.377 N/A ARG 373.A NH2 SER 14.A O no hydrogen 2.843 N/A ARG 373.A NH2 GLU 412.A OE2 no hydrogen 2.802 N/A PHE 374.A N TRP 366.A O no hydrogen 3.073 N/A ILE 375.A N ALA 410.A O no hydrogen 2.965 N/A ALA 376.A N ALA 364.A O no hydrogen 2.848 N/A SER 377.A N GLU 408.A O no hydrogen 3.030 N/A SER 377.A OG SER 363.A OG no hydrogen 2.729 N/A TYR 378.A N THR 362.A O no hydrogen 3.064 N/A GLY 379.A N GLN 406.A O no hydrogen 2.917 N/A THR 380.A N TRP 360.A O no hydrogen 3.094 N/A SER 381.A N SER 404.A O no hydrogen 2.997 N/A TYR 382.A N SER 109.A OG no hydrogen 3.203 N/A LYS 383.A N GLU 402.A O no hydrogen 3.096 N/A LYS 383.A NZ GLY 86.A O no hydrogen 3.453 N/A LYS 383.A NZ ASP 115.A OD1 no hydrogen 3.052 N/A ALA 384.A N SER 114.A OG no hydrogen 2.918 N/A ASN 386.A N GLN 389.A OE1 no hydrogen 2.844 N/A GLN 389.A N ASN 386.A OD1 no hydrogen 2.580 N/A LEU 390.A N ASN 386.A O no hydrogen 3.114 N/A TYR 391.A N LEU 387.A O no hydrogen 2.880 N/A GLY 392.A N GLY 388.A O no hydrogen 2.810 N/A ASN 396.A N GLN 389.A O no hydrogen 3.046 N/A ASN 396.A ND2 TYR 442.A O no hydrogen 3.388 N/A ASN 398.A N ASN 396.A OD1 no hydrogen 2.744 N/A ASP 400.A N ASN 444.A OD1 no hydrogen 2.842 N/A GLU 402.A N LYS 383.A O no hydrogen 3.032 N/A LYS 403.A N SER 430.A O no hydrogen 3.026 N/A SER 404.A N SER 381.A O no hydrogen 3.071 N/A SER 404.A OG ASN 427.A OD1 no hydrogen 2.598 N/A LYS 405.A N ASP 428.A O no hydrogen 2.922 N/A GLN 406.A N GLY 379.A O no hydrogen 2.777 N/A GLN 406.A NE2 ILE 117.A O no hydrogen 2.697 N/A TRP 407.A N ARG 426.A O no hydrogen 2.909 N/A GLU 408.A N SER 377.A O no hydrogen 3.127 N/A GLY 409.A N GLY 424.A O no hydrogen 2.902 N/A ALA 410.A N ILE 375.A O no hydrogen 2.937 N/A PHE 411.A N ILE 422.A O no hydrogen 2.942 N/A GLU 412.A N ARG 373.A O no hydrogen 2.890 N/A GLY 413.A N TRP 420.A O no hydrogen 2.969 N/A LEU 414.A N GLY 371.A O no hydrogen 3.051 N/A THR 415.A N VAL 418.A O no hydrogen 2.866 N/A THR 415.A OG1 TYR 372.A OH no hydrogen 2.693 N/A VAL 418.A N THR 415.A O no hydrogen 2.672 N/A ASN 419.A N ASN 458.A O no hydrogen 3.158 N/A TRP 420.A N GLY 413.A O no hydrogen 2.865 N/A TRP 420.A NE1 THR 415.A OG1 no hydrogen 2.885 N/A ARG 421.A N THR 456.A O no hydrogen 2.956 N/A ARG 421.A NH1 LEU 17.A O no hydrogen 3.414 N/A ARG 421.A NH2 LEU 17.A O no hydrogen 2.739 N/A ILE 422.A N PHE 411.A O no hydrogen 2.950 N/A SER 423.A N GLU 454.A O no hydrogen 2.783 N/A SER 423.A OG GLU 408.A OE2 no hydrogen 3.373 N/A GLY 424.A N GLY 409.A O no hydrogen 2.880 N/A TYR 425.A N GLY 452.A O no hydrogen 2.966 N/A ARG 426.A N TRP 407.A O no hydrogen 2.919 N/A ARG 426.A NE ASP 428.A OD1 no hydrogen 3.050 N/A ARG 426.A NE ASP 428.A OD2 no hydrogen 3.358 N/A ARG 426.A NH2 ASP 428.A OD1 no hydrogen 3.290 N/A ASN 427.A N ILE 450.A O no hydrogen 2.955 N/A ASP 428.A N LYS 405.A O no hydrogen 2.849 N/A VAL 429.A N ALA 448.A O no hydrogen 2.961 N/A SER 430.A N LYS 403.A O no hydrogen 2.811 N/A LEU 432.A N GLY 446.A O no hydrogen 3.047 N/A ILE 433.A N GLU 402.A OE2 no hydrogen 2.852 N/A ASP 434.A N TYR 443.A O no hydrogen 2.910 N/A ASP 436.A N LYS 441.A O no hydrogen 2.963 N/A THR 439.A N ASP 436.A O no hydrogen 3.061 N/A THR 439.A OG1 ASP 436.A OD2 no hydrogen 3.430 N/A TYR 442.A N TYR 394.A O no hydrogen 3.049 N/A TYR 443.A N ASP 434.A O no hydrogen 2.815 N/A ASN 444.A ND2 ASP 400.A O no hydrogen 2.874 N/A ASN 444.A ND2 ASP 431.A O no hydrogen 2.972 N/A GLU 445.A N LEU 432.A O no hydrogen 2.963 N/A GLY 446.A N LEU 432.A O no hydrogen 3.107 N/A ALA 448.A N VAL 429.A O no hydrogen 2.984 N/A ARG 449.A N ARG 476.A O no hydrogen 2.960 N/A ARG 449.A NH2 ASP 481.A OD1 no hydrogen 3.346 N/A ILE 450.A N ASN 427.A O no hydrogen 2.932 N/A LYS 451.A N ASP 474.A O no hydrogen 2.935 N/A GLY 452.A N TYR 425.A O no hydrogen 2.840 N/A VAL 453.A N TYR 472.A O no hydrogen 2.741 N/A GLU 454.A N SER 423.A O no hydrogen 2.961 N/A ALA 455.A N TYR 470.A O no hydrogen 2.864 N/A THR 456.A N ARG 421.A O no hydrogen 2.793 N/A ALA 457.A N VAL 468.A O no hydrogen 2.891 N/A ASN 458.A N ASN 419.A O no hydrogen 3.000 N/A PHE 459.A N HIS 466.A O no hydrogen 2.969 N/A THR 461.A N LEU 464.A O no hydrogen 2.903 N/A THR 461.A OG1 HIS 466.A NE2 no hydrogen 2.767 N/A THR 465.A N ASP 497.A O no hydrogen 2.691 N/A THR 465.A OG1 ASP 460.A OD1 no hydrogen 2.533 N/A HIS 466.A N PHE 459.A O no hydrogen 2.770 N/A HIS 466.A ND1 TYR 494.A OH no hydrogen 2.619 N/A HIS 466.A NE2 THR 461.A OG1 no hydrogen 2.767 N/A THR 467.A N GLN 495.A O no hydrogen 3.039 N/A VAL 468.A N ALA 457.A O no hydrogen 2.959 N/A SER 469.A N LYS 493.A O no hydrogen 2.941 N/A TYR 470.A N ALA 455.A O no hydrogen 2.822 N/A ASP 471.A N GLN 491.A O no hydrogen 2.955 N/A TYR 472.A N VAL 453.A O no hydrogen 2.679 N/A VAL 473.A N LYS 489.A O no hydrogen 2.984 N/A ASP 474.A N LYS 451.A O no hydrogen 2.884 N/A ARG 476.A N ARG 449.A O no hydrogen 2.951 N/A ARG 476.A NE ASP 474.A OD1 no hydrogen 2.669 N/A ARG 476.A NH1 ASP 481.A O no hydrogen 2.684 N/A ASN 477.A N THR 482.A O no hydrogen 2.954 N/A ALA 478.A N LYS 447.A O no hydrogen 2.984 N/A ILE 479.A N ASN 477.A OD1 no hydrogen 3.090 N/A THR 480.A N ASN 477.A OD1 no hydrogen 3.389 N/A ASP 481.A N ASN 477.A O no hydrogen 2.579 N/A THR 482.A N THR 480.A OG1 no hydrogen 3.362 N/A LEU 484.A N ALA 475.A O no hydrogen 3.013 N/A ARG 486.A N TYR 516.A O no hydrogen 2.650 N/A ARG 486.A NE ASP 517.A OD1 no hydrogen 2.670 N/A ARG 487.A NE GLY 64.A O no hydrogen 2.399 N/A ARG 487.A NH1 LEU 485.A O no hydrogen 3.044 N/A ARG 487.A NH2 ASN 66.A OD1 no hydrogen 2.243 N/A ALA 488.A N ASP 47.A OD2 no hydrogen 2.732 N/A LYS 489.A N THR 514.A O no hydrogen 3.147 N/A GLN 490.A NE2 TYR 470.A OH no hydrogen 2.611 N/A GLN 491.A N ASP 471.A O no hydrogen 3.058 N/A GLN 491.A NE2 VAL 46.A O no hydrogen 3.617 N/A VAL 492.A N TYR 511.A O no hydrogen 3.153 N/A LYS 493.A N SER 469.A O no hydrogen 3.005 N/A LYS 493.A NZ ARG 41.A O no hydrogen 2.649 N/A LYS 493.A NZ LEU 43.A O no hydrogen 2.530 N/A LYS 493.A NZ VAL 46.A O no hydrogen 2.918 N/A TYR 494.A N TYR 509.A O no hydrogen 2.944 N/A TYR 494.A OH HIS 466.A ND1 no hydrogen 2.619 N/A GLN 495.A N THR 467.A O no hydrogen 2.822 N/A GLN 495.A NE2 ASP 497.A OD1 no hydrogen 3.154 N/A LEU 496.A N ILE 507.A O no hydrogen 2.994 N/A ASP 497.A N THR 465.A O no hydrogen 2.840 N/A TRP 498.A N TRP 505.A O no hydrogen 3.198 N/A GLN 499.A NE2 ASP 504.A OD1 no hydrogen 3.553 N/A LEU 500.A N PHE 503.A O no hydrogen 3.078 N/A PHE 503.A N LEU 500.A O no hydrogen 3.197 N/A ASP 504.A N ALA 541.A O no hydrogen 3.027 N/A TRP 505.A N TRP 498.A O no hydrogen 2.981 N/A GLY 506.A N ALA 539.A O no hydrogen 2.854 N/A ILE 507.A N LEU 496.A O no hydrogen 2.936 N/A THR 508.A N ASP 537.A O no hydrogen 2.940 N/A THR 508.A OG1 GLN 495.A OE1 no hydrogen 2.533 N/A TYR 509.A N TYR 494.A O no hydrogen 2.768 N/A TYR 509.A OH SER 534.A OG no hydrogen 3.075 N/A GLN 510.A N LEU 535.A O no hydrogen 2.989 N/A GLN 510.A NE2 ARG 41.A O no hydrogen 2.981 N/A TYR 511.A N VAL 492.A O no hydrogen 2.663 N/A LEU 512.A N VAL 533.A O no hydrogen 2.807 N/A GLY 513.A N GLN 490.A O no hydrogen 2.994 N/A ARG 515.A N MET 530.A O no hydrogen 3.098 N/A ARG 515.A NH1 ASP 47.A OD1 no hydrogen 2.878 N/A ARG 515.A NH1 ARG 486.A O no hydrogen 3.208 N/A ASP 517.A N VAL 528.A O no hydrogen 3.102 N/A LYS 518.A NZ TYR 525.A O no hydrogen 3.098 N/A LYS 518.A NZ THR 527.A OG1 no hydrogen 3.050 N/A ASP 519.A N GLN 526.A O no hydrogen 2.706 N/A SER 521.A N ASP 519.A OD1 no hydrogen 2.965 N/A SER 521.A OG TYR 177.A OH no hydrogen 2.967 N/A SER 521.A OG ASP 519.A OD1 no hydrogen 2.573 N/A SER 521.A OG ASP 519.A OD2 no hydrogen 3.171 N/A SER 522.A OG TYR 523.A O no hydrogen 3.280 N/A VAL 528.A N ASP 517.A O no hydrogen 2.767 N/A MET 530.A N ARG 515.A O no hydrogen 2.586 N/A VAL 533.A N LEU 512.A O no hydrogen 3.014 N/A SER 534.A OG TYR 509.A OH no hydrogen 3.075 N/A LEU 535.A N GLN 510.A O no hydrogen 3.053 N/A ASP 537.A N THR 508.A O no hydrogen 2.834 N/A LEU 538.A N ILE 554.A O no hydrogen 3.100 N/A ALA 539.A N GLY 506.A O no hydrogen 2.767 N/A VAL 540.A N GLY 552.A O no hydrogen 2.817 N/A ALA 541.A N ASP 504.A O no hydrogen 2.896 N/A TYR 542.A N VAL 550.A O no hydrogen 2.727 N/A VAL 544.A N LEU 548.A O no hydrogen 2.706 N/A THR 545.A N LEU 548.A O no hydrogen 3.303 N/A HIS 547.A N THR 545.A OG1 no hydrogen 3.008 N/A LEU 548.A N THR 545.A OG1 no hydrogen 3.325 N/A THR 549.A N SER 580.A O no hydrogen 3.073 N/A VAL 550.A N TYR 542.A O no hydrogen 2.867 N/A ARG 551.A N SER 578.A O no hydrogen 2.944 N/A GLY 552.A N VAL 540.A O no hydrogen 2.904 N/A LYS 553.A N THR 576.A O no hydrogen 3.097 N/A LYS 553.A NZ TRP 31.A O no hydrogen 3.003 N/A LYS 553.A NZ GLN 32.A O no hydrogen 2.947 N/A ILE 554.A N LEU 538.A O no hydrogen 2.875 N/A ALA 555.A N GLU 574.A O no hydrogen 2.807 N/A ASN 556.A N ASP 537.A OD1 no hydrogen 2.778 N/A ASN 556.A ND2 LYS 560.A O no hydrogen 2.817 N/A LEU 557.A N TRP 536.A O no hydrogen 2.798 N/A LYS 560.A N ASN 556.A OD1 no hydrogen 3.067 N/A LYS 560.A N PHE 558.A O no hydrogen 2.737 N/A THR 564.A OG1 GLN 50.A O no hydrogen 3.370 N/A TYR 566.A N ASP 517.A OD2 no hydrogen 2.871 N/A GLY 567.A N GLU 563.A OE1 no hydrogen 3.102 N/A GLY 567.A N GLU 563.A OE2 no hydrogen 3.157 N/A TYR 568.A N VAL 565.A O no hydrogen 2.909 N/A GLN 569.A N VAL 174.A O no hydrogen 2.864 N/A GLN 569.A NE2 ASP 561.A OD1 no hydrogen 2.434 N/A THR 570.A OG1 TYR 562.A O no hydrogen 2.678 N/A ARG 573.A N ASP 559.A OD1 no hydrogen 2.836 N/A ARG 573.A NE LEU 557.A O no hydrogen 2.827 N/A ARG 573.A NH2 LEU 557.A O no hydrogen 3.271 N/A GLU 574.A N ALA 555.A O no hydrogen 3.006 N/A TYR 575.A N SER 140.A OG no hydrogen 3.156 N/A THR 576.A N LYS 553.A O no hydrogen 3.144 N/A THR 576.A OG1 TYR 575.A O no hydrogen 3.363 N/A LEU 577.A N TRP 138.A O no hydrogen 2.961 N/A SER 578.A N ARG 551.A O no hydrogen 2.762 N/A GLY 579.A N ALA 136.A O no hydrogen 2.914 N/A SER 580.A N THR 549.A O no hydrogen 3.021 N/A TYR 581.A N ILE 134.A O no hydrogen 2.918 N/A THR 582.A N HIS 547.A O no hydrogen 2.732 N/A THR 582.A OG1 GLU 133.A OE1 no hydrogen 3.415 N/A PHE 583.A N THR 132.A O no hydrogen 3.094 N/A