Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hhs_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ LYS 138.A O no hydrogen 3.131 N/A ASN 5.A N ASP 1.A O no hydrogen 2.605 N/A ASN 5.A ND2 GLN 108.A OE1 no hydrogen 3.225 N/A LEU 6.A N LYS 3.A O no hydrogen 3.312 N/A LEU 7.A N ASN 4.A O no hydrogen 3.164 N/A TYR 8.A N ASN 5.A O no hydrogen 3.072 N/A TYR 8.A OH ASP 24.A OD2 no hydrogen 2.806 N/A PHE 9.A N LEU 6.A O no hydrogen 3.010 N/A PHE 10.A N LEU 7.A O no hydrogen 3.101 N/A ASP 11.A N TYR 8.A O no hydrogen 3.123 N/A ARG 12.A N ARG 458.A O no hydrogen 2.830 N/A ARG 12.A NE GLY 457.A O no hydrogen 2.806 N/A ARG 12.A NH1 GLU 15.A OE2 no hydrogen 2.885 N/A ARG 12.A NH1 THR 463.A O no hydrogen 2.781 N/A ARG 12.A NH2 GLY 457.A O no hydrogen 3.047 N/A ARG 12.A NH2 THR 463.A O no hydrogen 3.517 N/A ARG 12.A NH2 PRO 464.A O no hydrogen 3.193 N/A ASN 14.A N ASP 461.A OD1 no hydrogen 3.153 N/A GLU 15.A N ARG 12.A O no hydrogen 2.920 N/A CYS 17.A N GLN 115.A OE1 no hydrogen 2.873 N/A CYS 17.A SG SER 112.A O no hydrogen 3.517 N/A CYS 17.A SG GLN 115.A OE1 no hydrogen 3.405 N/A MET 19.A N PRO 16.A O no hydrogen 2.908 N/A LYS 21.A N VAL 26.A O no hydrogen 2.733 N/A LYS 21.A NZ ASP 11.A O no hydrogen 2.593 N/A LYS 21.A NZ GLU 15.A O no hydrogen 3.550 N/A GLY 22.A N ASP 11.A OD2 no hydrogen 2.856 N/A ASP 24.A N ASP 24.A OD1 no hydrogen 2.468 N/A VAL 26.A N LYS 21.A O no hydrogen 3.137 N/A VAL 27.A N LYS 56.A O no hydrogen 3.017 N/A GLU 29.A N ILE 58.A O no hydrogen 2.793 N/A TYR 34.A N PRO 31.A O no hydrogen 3.004 N/A TYR 34.A OH SER 109.A OG no hydrogen 2.722 N/A TYR 35.A N ASP 32.A O no hydrogen 3.144 N/A TYR 39.A N PRO 36.A O no hydrogen 2.891 N/A LYS 40.A N ASP 37.A O no hydrogen 3.346 N/A LYS 40.A NZ TYR 35.A O no hydrogen 2.466 N/A LYS 40.A NZ ASP 37.A OD1 no hydrogen 3.539 N/A LEU 42.A N TYR 39.A O no hydrogen 2.977 N/A SER 43.A N LYS 40.A O no hydrogen 3.173 N/A SER 43.A OG LYS 40.A O no hydrogen 3.181 N/A LEU 46.A N LEU 42.A O no hydrogen 2.885 N/A SER 47.A N SER 43.A O no hydrogen 2.982 N/A ASN 48.A N ASN 44.A O no hydrogen 3.149 N/A ARG 49.A N THR 45.A O no hydrogen 3.022 N/A PHE 50.A N LEU 46.A O no hydrogen 2.964 N/A GLY 51.A N SER 47.A O no hydrogen 2.947 N/A ASN 52.A N ASN 48.A O no hydrogen 3.049 N/A ALA 54.A N GLY 51.A O no hydrogen 3.257 N/A THR 55.A N LYS 25.A O no hydrogen 2.862 N/A THR 55.A OG1 ASP 24.A O no hydrogen 2.649 N/A THR 55.A OG1 LYS 25.A O no hydrogen 3.462 N/A ARG 57.A NE GLU 29.A OE2 no hydrogen 3.009 N/A ILE 58.A N VAL 27.A O no hydrogen 2.729 N/A ARG 61.A NH1 ASP 103.A OD2 no hydrogen 2.885 N/A ARG 61.A NH1 ASP 106.A OD1 no hydrogen 3.030 N/A GLU 69.A N ASN 67.A OD1 no hydrogen 3.092 N/A MET 72.A N LEU 68.A O no hydrogen 2.880 N/A GLN 73.A N VAL 70.A O no hydrogen 3.060 N/A GLN 73.A NE2 GLU 69.A O no hydrogen 3.497 N/A TYR 76.A OH GLN 115.A O no hydrogen 3.229 N/A ASP 78.A N PRO 75.A O no hydrogen 3.186 N/A GLN 79.A NE2 GLN 384.A OE1 no hydrogen 3.345 N/A SER 81.A N HIS 87.A ND1 no hydrogen 3.002 N/A SER 81.A OG GLY 389.A O no hydrogen 2.604 N/A PHE 83.A N SER 81.A OG no hydrogen 3.118 N/A VAL 84.A N SER 81.A O no hydrogen 3.079 N/A LYS 86.A N ASP 300.A O no hydrogen 3.098 N/A LYS 86.A NZ GLN 73.A OE1 no hydrogen 3.255 N/A ARG 88.A N VAL 84.A O no hydrogen 3.306 N/A ARG 88.A N PRO 85.A O no hydrogen 3.186 N/A ARG 88.A NE LEU 82.A O no hydrogen 2.856 N/A ARG 88.A NH1 ASP 362.A OD2 no hydrogen 2.971 N/A ARG 88.A NH2 PHE 83.A O no hydrogen 2.776 N/A ARG 88.A NH2 ASP 362.A OD2 no hydrogen 3.010 N/A MET 90.A N LYS 86.A O no hydrogen 3.155 N/A ALA 91.A N HIS 87.A O no hydrogen 2.961 N/A ALA 92.A N ARG 88.A O no hydrogen 2.996 N/A LYS 93.A N THR 89.A O no hydrogen 3.191 N/A LEU 94.A N MET 90.A O no hydrogen 3.179 N/A ILE 95.A N ALA 91.A O no hydrogen 2.866 N/A ASP 96.A N ALA 92.A O no hydrogen 2.832 N/A ILE 97.A N LYS 93.A O no hydrogen 2.936 N/A PHE 98.A N LEU 94.A O no hydrogen 2.890 N/A MET 99.A N ILE 95.A O no hydrogen 2.813 N/A GLY 100.A N ASP 96.A O no hydrogen 3.066 N/A GLY 100.A N ILE 97.A O no hydrogen 3.259 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.846 N/A ASP 106.A N ASP 103.A OD1 no hydrogen 2.823 N/A LEU 107.A N ASP 103.A O no hydrogen 2.929 N/A GLN 108.A N VAL 104.A O no hydrogen 2.849 N/A SER 109.A N GLU 105.A O no hydrogen 3.117 N/A SER 109.A OG TYR 34.A OH no hydrogen 2.722 N/A SER 109.A OG ARG 61.A O no hydrogen 2.663 N/A VAL 110.A N ASP 106.A O no hydrogen 3.014 N/A CYS 111.A N LEU 107.A O no hydrogen 2.832 N/A CYS 111.A SG LEU 107.A O no hydrogen 3.289 N/A SER 112.A N GLN 108.A O no hydrogen 3.040 N/A SER 112.A OG SER 109.A O no hydrogen 2.792 N/A TYR 113.A N SER 109.A O no hydrogen 3.268 N/A CYS 114.A N VAL 110.A O no hydrogen 2.889 N/A CYS 114.A SG VAL 110.A O no hydrogen 3.290 N/A GLN 115.A N CYS 111.A O no hydrogen 2.790 N/A GLN 115.A NE2 PRO 13.A O no hydrogen 3.235 N/A GLN 115.A NE2 GLU 15.A O no hydrogen 2.958 N/A ARG 117.A N CYS 114.A O no hydrogen 2.993 N/A ARG 117.A NH1 TYR 34.A O no hydrogen 2.796 N/A ARG 117.A NH1 TYR 113.A O no hydrogen 2.874 N/A ARG 117.A NH2 TYR 34.A O no hydrogen 2.987 N/A ILE 118.A N CYS 114.A O no hydrogen 2.750 N/A ASN 119.A ND2 PRO 75.A O no hydrogen 2.997 N/A ASN 119.A ND2 ASP 78.A O no hydrogen 2.719 N/A TYR 121.A OH SER 276.A OG no hydrogen 2.578 N/A MET 122.A N ASN 119.A OD1 no hydrogen 3.045 N/A PHE 123.A N ASN 119.A O no hydrogen 2.842 N/A ASN 124.A N PRO 120.A O no hydrogen 2.975 N/A TYR 125.A N TYR 121.A O no hydrogen 2.998 N/A CYS 126.A N MET 122.A O no hydrogen 2.970 N/A CYS 126.A SG ALA 91.A O no hydrogen 3.585 N/A CYS 126.A SG MET 122.A O no hydrogen 3.209 N/A LEU 127.A N PHE 123.A O no hydrogen 2.877 N/A SER 128.A N ASN 124.A O no hydrogen 2.928 N/A SER 128.A OG ASN 124.A O no hydrogen 2.790 N/A VAL 129.A N TYR 125.A O no hydrogen 2.991 N/A ALA 130.A N CYS 126.A O no hydrogen 2.993 N/A ILE 131.A N LEU 127.A O no hydrogen 2.912 N/A LEU 132.A N SER 128.A O no hydrogen 3.056 N/A HIS 133.A N ALA 130.A O no hydrogen 3.094 N/A ARG 134.A N ALA 130.A O no hydrogen 2.824 N/A ARG 134.A NE ASP 136.A OD1 no hydrogen 2.844 N/A ARG 134.A NH1 PHE 98.A O no hydrogen 2.905 N/A ARG 134.A NH1 MET 101.A O no hydrogen 2.761 N/A ARG 134.A NH2 MET 101.A O no hydrogen 2.983 N/A ARG 134.A NH2 ASP 136.A OD1 no hydrogen 3.382 N/A ARG 134.A NH2 ASP 136.A OD2 no hydrogen 2.725 N/A THR 137.A N ARG 134.A O no hydrogen 3.211 N/A THR 137.A OG1 ILE 131.A O no hydrogen 2.782 N/A THR 137.A OG1 ARG 134.A O no hydrogen 3.449 N/A THR 144.A OG1 THR 555.A O no hydrogen 3.447 N/A GLU 147.A N THR 144.A O no hydrogen 3.007 N/A THR 148.A N THR 144.A O no hydrogen 3.185 N/A THR 148.A N PHE 145.A O no hydrogen 3.154 N/A THR 148.A OG1 THR 144.A O no hydrogen 3.258 N/A PHE 149.A N PHE 145.A O no hydrogen 2.914 N/A LYS 152.A N PHE 149.A O no hydrogen 3.109 N/A LYS 152.A NZ ASP 390.A OD2 no hydrogen 2.748 N/A PHE 153.A N PRO 150.A O no hydrogen 2.946 N/A SER 156.A N LYS 273.A O no hydrogen 3.040 N/A SER 156.A OG LYS 273.A O no hydrogen 3.453 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 2.877 N/A VAL 158.A N ASP 155.A O no hydrogen 2.991 N/A PHE 159.A N SER 156.A O no hydrogen 3.223 N/A ARG 161.A N LYS 157.A O no hydrogen 3.388 N/A ARG 161.A NH2 ASN 178.A O no hydrogen 2.596 N/A ALA 162.A N VAL 158.A O no hydrogen 2.874 N/A ARG 163.A N PHE 159.A O no hydrogen 2.919 N/A ARG 163.A NH1 ASP 461.A O no hydrogen 3.202 N/A GLU 164.A N LEU 160.A O no hydrogen 3.078 N/A VAL 165.A N ARG 161.A O no hydrogen 2.970 N/A SER 166.A N ALA 162.A O no hydrogen 2.989 N/A ASN 167.A N ARG 163.A O no hydrogen 3.230 N/A ASN 167.A ND2 ARG 163.A O no hydrogen 2.962 N/A VAL 168.A N GLU 164.A O no hydrogen 2.847 N/A VAL 169.A N VAL 165.A O no hydrogen 2.896 N/A ARG 174.A NE VAL 169.A O no hydrogen 3.093 N/A ARG 174.A NH1 SER 467.A O no hydrogen 2.940 N/A ARG 174.A NH2 VAL 169.A O no hydrogen 2.990 N/A VAL 177.A N LEU 469.A O no hydrogen 2.844 N/A VAL 179.A N ARG 471.A O no hydrogen 2.900 N/A THR 184.A OG1 GLN 192.A OE1 no hydrogen 3.549 N/A THR 184.A OG1 GLU 199.A OE2 no hydrogen 2.684 N/A GLU 189.A N ASN 186.A O no hydrogen 3.155 N/A GLN 192.A N GLU 189.A O no hydrogen 2.949 N/A GLN 192.A NE2 ASN 182.A OD1 no hydrogen 3.097 N/A ARG 193.A N PRO 190.A O no hydrogen 3.083 N/A ARG 193.A NH1 ASN 251.A O no hydrogen 3.054 N/A VAL 194.A N GLU 191.A O no hydrogen 3.325 N/A ALA 195.A N GLN 192.A O no hydrogen 3.094 N/A TYR 196.A OH GLU 247.A OE1 no hydrogen 2.431 N/A TYR 196.A OH ASN 251.A OD1 no hydrogen 2.991 N/A PHE 197.A N VAL 194.A O no hydrogen 3.050 N/A ARG 198.A N VAL 194.A O no hydrogen 3.371 N/A ARG 198.A NH1 GLU 199.A OE2 no hydrogen 3.151 N/A ARG 198.A NH1 ARG 396.A O no hydrogen 2.820 N/A ARG 198.A NH2 GLU 191.A O no hydrogen 2.958 N/A GLU 199.A N ALA 195.A O no hydrogen 2.945 N/A ASP 200.A N PHE 197.A O no hydrogen 3.247 N/A ILE 203.A N ASP 200.A OD2 no hydrogen 2.952 N/A ASN 204.A N ASP 200.A O no hydrogen 3.082 N/A ASN 204.A ND2 ALA 392.A O no hydrogen 3.480 N/A LEU 205.A N ILE 201.A O no hydrogen 2.971 N/A HIS 206.A N GLY 202.A O no hydrogen 3.021 N/A HIS 207.A N ILE 203.A O no hydrogen 3.085 N/A HIS 207.A ND1 SER 391.A O no hydrogen 2.826 N/A TRP 208.A N ASN 204.A O no hydrogen 3.001 N/A HIS 209.A N LEU 205.A O no hydrogen 2.831 N/A TRP 210.A N HIS 206.A O no hydrogen 2.787 N/A TRP 210.A NE1 TYR 604.A O no hydrogen 3.028 N/A HIS 211.A N HIS 207.A O no hydrogen 3.184 N/A LEU 212.A N TRP 208.A O no hydrogen 2.920 N/A VAL 213.A N HIS 209.A O no hydrogen 3.089 N/A VAL 213.A N TRP 210.A O no hydrogen 3.203 N/A TYR 214.A N TRP 210.A O no hydrogen 2.806 N/A TYR 214.A OH CYS 605.A O no hydrogen 2.678 N/A SER 222.A N ASP 220.A OD1 no hydrogen 2.919 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.759 N/A ILE 223.A N ASP 220.A O no hydrogen 3.130 N/A ASN 225.A N ARG 221.A O no hydrogen 2.744 N/A LYS 226.A N VAL 224.A O no hydrogen 2.778 N/A LYS 226.A NZ ILE 223.A O no hydrogen 3.370 N/A LYS 226.A NZ ASP 609.A OD1 no hydrogen 3.327 N/A ARG 228.A NE GLU 231.A OE2 no hydrogen 3.000 N/A ARG 228.A NH1 ASP 614.A O no hydrogen 2.701 N/A ARG 228.A NH2 GLU 231.A OE1 no hydrogen 3.371 N/A ARG 228.A NH2 GLU 231.A OE2 no hydrogen 2.963 N/A ARG 228.A NH2 GLN 616.A O no hydrogen 3.005 N/A ARG 229.A N LYS 226.A O no hydrogen 3.341 N/A ARG 229.A NH1 GLU 349.A OE1 no hydrogen 2.651 N/A ARG 229.A NH2 TYR 214.A O no hydrogen 2.987 N/A ARG 229.A NH2 GLU 349.A OE1 no hydrogen 2.699 N/A GLU 231.A N ASP 342.A OD1 no hydrogen 2.778 N/A LEU 232.A N ARG 228.A O no hydrogen 2.954 N/A PHE 233.A N ARG 229.A O no hydrogen 2.821 N/A TYR 234.A N GLY 230.A O no hydrogen 3.224 N/A TYR 235.A N GLU 231.A O no hydrogen 2.924 N/A TYR 235.A OH GLU 524.A OE1 no hydrogen 2.798 N/A MET 236.A N LEU 232.A O no hydrogen 2.891 N/A HIS 237.A N PHE 233.A O no hydrogen 3.407 N/A HIS 237.A ND1 PHE 233.A O no hydrogen 2.828 N/A GLN 238.A N TYR 234.A O no hydrogen 2.891 N/A GLN 239.A N TYR 235.A O no hydrogen 2.943 N/A GLN 239.A NE2 GLN 238.A OE1 no hydrogen 2.928 N/A GLN 239.A NE2 MET 522.A O no hydrogen 3.141 N/A ILE 240.A N MET 236.A O no hydrogen 3.093 N/A ILE 241.A N HIS 237.A O no hydrogen 3.006 N/A GLY 242.A N GLN 238.A O no hydrogen 2.949 N/A ARG 243.A N GLN 239.A O no hydrogen 2.886 N/A ARG 243.A NE TYR 604.A OH no hydrogen 2.925 N/A ARG 243.A NH1 LEU 567.A O no hydrogen 2.946 N/A ARG 243.A NH2 GLU 524.A O no hydrogen 2.851 N/A ARG 243.A NH2 LEU 567.A O no hydrogen 3.425 N/A TYR 244.A N ILE 240.A O no hydrogen 2.890 N/A ASN 245.A N ILE 241.A O no hydrogen 2.867 N/A VAL 246.A N GLY 242.A O no hydrogen 3.044 N/A GLU 247.A N ARG 243.A O no hydrogen 3.064 N/A ARG 248.A N TYR 244.A O no hydrogen 2.919 N/A ARG 248.A NE PRO 254.A O no hydrogen 2.786 N/A ARG 248.A NH1 GLU 191.A OE1 no hydrogen 2.688 N/A ARG 248.A NH1 GLU 191.A OE2 no hydrogen 3.479 N/A ARG 248.A NH2 GLU 191.A OE2 no hydrogen 2.916 N/A MET 249.A N ASN 245.A O no hydrogen 3.001 N/A CYS 250.A N VAL 246.A O no hydrogen 2.932 N/A CYS 250.A SG VAL 246.A O no hydrogen 3.326 N/A ASN 251.A N ARG 248.A O no hydrogen 2.891 N/A LEU 253.A N ARG 248.A O no hydrogen 3.032 N/A GLN 255.A N ASP 508.A OD2 no hydrogen 3.065 N/A VAL 256.A N ASN 245.A OD1 no hydrogen 2.982 N/A PHE 259.A N ARG 402.A O no hydrogen 2.899 N/A SER 263.A N ASP 261.A OD1 no hydrogen 3.079 N/A ALA 264.A N ASP 261.A O no hydrogen 3.030 N/A ILE 266.A N SER 290.A O no hydrogen 2.724 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.699 N/A TYR 270.A N ARG 286.A O no hydrogen 2.906 N/A TYR 270.A OH GLU 199.A OE2 no hydrogen 2.813 N/A LYS 273.A NZ THR 184.A O no hydrogen 3.043 N/A LYS 273.A NZ PHE 271.A O no hydrogen 3.120 N/A SER 276.A N ARG 281.A O no hydrogen 3.019 N/A SER 276.A OG TYR 121.A OH no hydrogen 2.578 N/A GLN 277.A N ASP 151.A OD2 no hydrogen 3.435 N/A GLN 277.A NE2 ASP 151.A OD2 no hydrogen 2.887 N/A GLN 277.A NE2 GLY 459.A O no hydrogen 2.910 N/A ALA 279.A N SER 276.A OG no hydrogen 2.883 N/A SER 280.A N GLN 277.A O no hydrogen 3.214 N/A ARG 281.A N SER 276.A O no hydrogen 3.320 N/A ARG 281.A NH2 LEU 382.A O no hydrogen 2.967 N/A TRP 283.A N LEU 274.A O no hydrogen 3.009 N/A ARG 286.A N TYR 270.A O no hydrogen 2.902 N/A ARG 286.A NH1 ASP 397.A OD1 no hydrogen 3.473 N/A ARG 286.A NH1 ASP 397.A OD2 no hydrogen 2.774 N/A ARG 286.A NH2 GLU 268.A O no hydrogen 2.949 N/A ARG 286.A NH2 ASP 397.A OD1 no hydrogen 2.893 N/A GLY 289.A N ILE 266.A O no hydrogen 2.809 N/A SER 290.A N PHE 287.A O no hydrogen 3.355 N/A SER 290.A OG PHE 287.A O no hydrogen 2.865 N/A LEU 295.A N ILE 304.A O no hydrogen 2.854 N/A ASP 296.A N PRO 377.A O no hydrogen 2.895 N/A ARG 297.A N VAL 302.A O no hydrogen 2.893 N/A ARG 297.A NE ASP 300.A OD2 no hydrogen 2.676 N/A ARG 297.A NH1 ASP 376.A O no hydrogen 2.931 N/A ARG 297.A NH1 ASP 376.A OD2 no hydrogen 3.195 N/A ARG 297.A NH1 GLU 383.A O no hydrogen 3.134 N/A ARG 297.A NH2 GLU 383.A O no hydrogen 2.902 N/A ASP 300.A N ARG 297.A O no hydrogen 3.069 N/A GLN 301.A N THR 298.A O no hydrogen 2.957 N/A VAL 302.A N ARG 297.A O no hydrogen 3.305 N/A ILE 304.A N LEU 295.A O no hydrogen 2.945 N/A VAL 306.A N ASN 294.A OD1 no hydrogen 2.867 N/A LYS 308.A N ASP 305.A O no hydrogen 2.953 N/A LEU 309.A N VAL 306.A O no hydrogen 2.962 N/A THR 311.A N ARG 307.A O no hydrogen 3.150 N/A THR 311.A OG1 ARG 307.A O no hydrogen 3.530 N/A TRP 312.A N LYS 308.A O no hydrogen 2.899 N/A ARG 313.A N LEU 309.A O no hydrogen 2.862 N/A ARG 313.A NE ASP 314.A OD1 no hydrogen 3.120 N/A ARG 313.A NH1 SER 260.A O no hydrogen 3.322 N/A ARG 313.A NH2 ASP 314.A OD1 no hydrogen 2.783 N/A ASP 314.A N PHE 310.A O no hydrogen 2.930 N/A GLN 315.A N THR 311.A O no hydrogen 3.040 N/A PHE 316.A N TRP 312.A O no hydrogen 3.160 N/A LEU 317.A N ARG 313.A O no hydrogen 3.101 N/A GLU 318.A N ASP 314.A O no hydrogen 2.967 N/A ALA 319.A N GLN 315.A O no hydrogen 2.977 N/A ILE 320.A N PHE 316.A O no hydrogen 2.907 N/A GLN 321.A N LEU 317.A O no hydrogen 2.925 N/A LYS 322.A N GLU 318.A O no hydrogen 2.973 N/A LYS 322.A NZ GLU 318.A OE2 no hydrogen 2.744 N/A MET 323.A N ILE 320.A O no hydrogen 3.191 N/A ALA 324.A N ALA 319.A O no hydrogen 3.006 N/A ILE 325.A N LEU 333.A O no hydrogen 2.846 N/A LYS 326.A N TYR 360.A OH no hydrogen 2.954 N/A LYS 326.A NZ GLU 318.A OE2 no hydrogen 3.556 N/A MET 327.A N ARG 331.A O no hydrogen 2.803 N/A GLY 330.A N MET 327.A O no hydrogen 2.987 N/A ARG 331.A N ASN 329.A OD1 no hydrogen 3.167 N/A LEU 333.A N ILE 325.A O no hydrogen 2.941 N/A LEU 335.A N MET 323.A O no hydrogen 2.823 N/A THR 339.A N ASP 336.A OD2 no hydrogen 3.231 N/A THR 339.A OG1 ASP 336.A OD1 no hydrogen 2.556 N/A GLY 340.A N ASP 336.A O no hydrogen 2.693 N/A MET 343.A N THR 339.A O no hydrogen 3.022 N/A LEU 344.A N GLY 340.A O no hydrogen 2.904 N/A GLY 345.A N ILE 341.A O no hydrogen 2.902 N/A ASN 346.A N ASP 342.A O no hydrogen 3.119 N/A ASN 346.A ND2 SER 351.A OG no hydrogen 2.873 N/A LEU 347.A N MET 343.A O no hydrogen 2.877 N/A MET 348.A N LEU 344.A O no hydrogen 2.885 N/A GLU 349.A N GLY 345.A O no hydrogen 3.030 N/A SER 350.A N ASP 362.A OD1 no hydrogen 2.972 N/A SER 350.A OG GLY 361.A O no hydrogen 2.791 N/A SER 350.A OG ASP 362.A OD1 no hydrogen 3.294 N/A SER 351.A N ASN 346.A O no hydrogen 3.081 N/A ILE 352.A N PHE 216.A O no hydrogen 2.959 N/A SER 354.A N SER 351.A O no hydrogen 2.881 N/A ASN 356.A N SER 354.A OG no hydrogen 3.359 N/A ASN 356.A ND2 LYS 326.A O no hydrogen 2.958 N/A ARG 357.A NE SER 350.A OG no hydrogen 3.029 N/A ARG 357.A NH1 ASP 217.A OD1 no hydrogen 3.092 N/A ARG 357.A NH1 ASP 217.A OD2 no hydrogen 3.228 N/A ARG 357.A NH2 ASP 217.A OD2 no hydrogen 2.789 N/A ARG 357.A NH2 SER 350.A O no hydrogen 3.210 N/A TYR 359.A N ASN 356.A OD1 no hydrogen 3.347 N/A TYR 360.A N ASN 356.A O no hydrogen 3.098 N/A GLY 361.A N ARG 357.A O no hydrogen 2.946 N/A HIS 364.A N MET 348.A O no hydrogen 3.047 N/A HIS 364.A ND1 GLU 349.A O no hydrogen 3.152 N/A HIS 364.A NE2 HIS 404.A NE2 no hydrogen 3.133 N/A ASN 365.A N GLU 349.A O no hydrogen 2.782 N/A ASN 365.A ND2 ASP 362.A OD1 no hydrogen 2.807 N/A MET 366.A N ASP 362.A O no hydrogen 2.993 N/A GLY 367.A N LEU 363.A O no hydrogen 3.099 N/A HIS 368.A N HIS 364.A O no hydrogen 3.399 N/A HIS 368.A ND1 MET 388.A O no hydrogen 2.697 N/A VAL 369.A N ASN 365.A O no hydrogen 3.189 N/A PHE 370.A N MET 366.A O no hydrogen 2.708 N/A ALA 371.A N GLY 367.A O no hydrogen 3.018 N/A ALA 372.A N HIS 368.A O no hydrogen 2.826 N/A TYR 373.A N VAL 369.A O no hydrogen 3.203 N/A TYR 373.A N PHE 370.A O no hydrogen 3.328 N/A HIS 375.A NE2 GLN 384.A O no hydrogen 2.866 N/A ASP 376.A N TYR 373.A O no hydrogen 2.997 N/A HIS 379.A N ASP 376.A O no hydrogen 3.341 N/A ARG 380.A N ASP 378.A OD1 no hydrogen 3.236 N/A ARG 380.A NE ASP 378.A OD1 no hydrogen 3.159 N/A ARG 380.A NH2 ASP 378.A OD2 no hydrogen 2.907 N/A HIS 381.A N ASP 376.A OD1 no hydrogen 2.924 N/A LEU 382.A N HIS 379.A O no hydrogen 3.010 N/A GLU 383.A N ASP 376.A OD2 no hydrogen 2.946 N/A GLY 386.A N ALA 372.A O no hydrogen 2.924 N/A GLY 389.A N GLY 386.A O no hydrogen 2.883 N/A ASP 390.A N VAL 387.A O no hydrogen 3.222 N/A ALA 392.A N ASP 390.A OD1 no hydrogen 2.819 N/A THR 393.A N ASP 390.A O no hydrogen 3.039 N/A THR 393.A OG1 VAL 387.A O no hydrogen 2.870 N/A THR 393.A OG1 ASP 390.A O no hydrogen 3.355 N/A ARG 396.A N THR 393.A O no hydrogen 3.069 N/A ARG 396.A NH2 TYR 183.A OH no hydrogen 2.472 N/A ASP 397.A N ALA 394.A O no hydrogen 3.102 N/A PHE 399.A N ASP 397.A OD1 no hydrogen 2.932 N/A PHE 400.A N ASP 397.A O no hydrogen 2.950 N/A TYR 401.A N PRO 398.A O no hydrogen 3.387 N/A TYR 401.A OH MET 395.A O no hydrogen 2.707 N/A ARG 402.A NE LYS 257.A O no hydrogen 2.790 N/A ARG 402.A NH1 GLU 267.A OE1 no hydrogen 2.969 N/A ARG 402.A NH2 PRO 258.A O no hydrogen 3.239 N/A TRP 403.A N PHE 399.A O no hydrogen 2.983 N/A TRP 403.A NE1 HIS 364.A O no hydrogen 3.085 N/A HIS 404.A N PHE 400.A O no hydrogen 2.874 N/A ARG 405.A N TYR 401.A O no hydrogen 2.791 N/A PHE 406.A N ARG 402.A O no hydrogen 3.194 N/A VAL 407.A N TRP 403.A O no hydrogen 2.885 N/A ASP 408.A N HIS 404.A O no hydrogen 2.836 N/A ASP 409.A N ARG 405.A O no hydrogen 2.886 N/A VAL 410.A N PHE 406.A O no hydrogen 3.163 N/A PHE 411.A N VAL 407.A O no hydrogen 3.141 N/A ASN 412.A N ASP 408.A O no hydrogen 2.800 N/A ILE 413.A N ASP 409.A O no hydrogen 3.009 N/A TYR 414.A N VAL 410.A O no hydrogen 3.444 N/A LYS 415.A N PHE 411.A O no hydrogen 2.999 N/A LYS 415.A NZ ASP 623.A OD2 no hydrogen 2.851 N/A GLU 416.A N ASN 412.A O no hydrogen 2.907 N/A LYS 417.A N TYR 414.A O no hydrogen 2.967 N/A LYS 417.A NZ ILE 320.A O no hydrogen 3.263 N/A LYS 417.A NZ GLN 321.A O no hydrogen 3.022 N/A LEU 418.A N LYS 415.A O no hydrogen 3.230 N/A TYR 421.A OH ASP 623.A OD1 no hydrogen 2.665 N/A TYR 421.A OH ASP 623.A OD2 no hydrogen 3.253 N/A ARG 425.A N THR 422.A OG1 no hydrogen 3.206 N/A LEU 426.A N THR 422.A O no hydrogen 3.061 N/A ASP 427.A N ASN 423.A O no hydrogen 2.773 N/A VAL 431.A N PHE 428.A O no hydrogen 3.085 N/A ARG 432.A N ASN 487.A O no hydrogen 3.274 N/A VAL 433.A N PRO 639.A O no hydrogen 2.873 N/A SER 434.A N GLU 485.A O no hydrogen 2.689 N/A SER 434.A OG GLU 485.A O no hydrogen 3.032 N/A SER 435.A N GLU 485.A O no hydrogen 3.487 N/A GLY 437.A N VAL 483.A O no hydrogen 3.036 N/A ILE 438.A N ASN 443.A OD1 no hydrogen 2.979 N/A GLU 439.A N GLN 481.A O no hydrogen 2.947 N/A ASN 443.A N ILE 438.A O no hydrogen 2.867 N/A THR 444.A OG1 PRO 442.A O no hydrogen 3.407 N/A LEU 445.A N SER 647.A O no hydrogen 2.848 N/A ARG 446.A NH1 ASP 478.A OD1 no hydrogen 3.266 N/A ARG 446.A NH1 ASP 478.A OD2 no hydrogen 3.423 N/A THR 447.A N GLN 649.A O no hydrogen 3.086 N/A THR 447.A OG1 LYS 570.A O no hydrogen 2.524 N/A LEU 448.A N GLN 476.A O no hydrogen 3.015 N/A TRP 449.A N THR 653.A O no hydrogen 2.890 N/A TRP 449.A NE1 ASP 652.A OD2 no hydrogen 2.995 N/A GLN 450.A N HIS 474.A O no hydrogen 2.917 N/A GLN 451.A N VAL 655.A O no hydrogen 2.834 N/A SER 452.A N PHE 472.A O no hydrogen 2.898 N/A VAL 454.A N ALA 470.A O no hydrogen 3.036 N/A LEU 456.A N VAL 468.A O no hydrogen 2.891 N/A GLY 457.A N GLU 455.A OE2 no hydrogen 2.772 N/A ARG 458.A NH1 PHE 10.A O no hydrogen 2.621 N/A ARG 458.A NH1 THR 148.A OG1 no hydrogen 2.598 N/A ARG 458.A NH2 THR 144.A O no hydrogen 2.940 N/A GLY 459.A N LEU 456.A O no hydrogen 3.051 N/A ASP 461.A N GLN 277.A OE1 no hydrogen 3.085 N/A PHE 462.A N GLU 15.A OE2 no hydrogen 2.700 N/A THR 463.A OG1 LEU 460.A O no hydrogen 2.712 N/A ARG 465.A NH1 ASP 11.A OD1 no hydrogen 2.805 N/A ARG 465.A NH1 GLU 23.A OE2 no hydrogen 3.548 N/A ARG 465.A NH2 ASP 11.A OD2 no hydrogen 2.499 N/A ARG 465.A NH2 GLN 20.A O no hydrogen 3.486 N/A GLY 466.A N GLU 23.A OE1 no hydrogen 3.139 N/A SER 467.A OG GLU 455.A OE1 no hydrogen 2.704 N/A VAL 468.A N GLU 455.A OE2 no hydrogen 3.014 N/A ALA 470.A N VAL 454.A O no hydrogen 2.889 N/A ARG 471.A N VAL 177.A O no hydrogen 2.769 N/A PHE 472.A N SER 452.A O no hydrogen 2.848 N/A HIS 474.A N GLN 450.A O no hydrogen 2.871 N/A GLN 476.A N LEU 448.A O no hydrogen 2.938 N/A GLN 476.A NE2 HIS 477.A O no hydrogen 3.276 N/A HIS 477.A NE2 GLU 479.A OE1 no hydrogen 3.224 N/A ASP 478.A N ARG 446.A O no hydrogen 2.953 N/A PHE 480.A N SER 543.A OG no hydrogen 2.934 N/A TYR 482.A N ARG 541.A O no hydrogen 2.840 N/A VAL 483.A N GLY 437.A O no hydrogen 2.945 N/A ILE 484.A N ILE 539.A O no hydrogen 2.836 N/A GLU 485.A N SER 435.A O no hydrogen 2.872 N/A VAL 486.A N ASN 537.A O no hydrogen 3.096 N/A ASN 487.A N ARG 432.A O no hydrogen 2.920 N/A ASN 488.A N GLY 535.A O no hydrogen 2.445 N/A ASN 488.A ND2 GLY 492.A O no hydrogen 3.000 N/A ASN 488.A ND2 LEU 532.A O no hydrogen 2.995 N/A THR 489.A N GLY 430.A O no hydrogen 2.841 N/A THR 489.A OG1 GLY 430.A O no hydrogen 3.317 N/A THR 490.A OG1 ASN 488.A OD1 no hydrogen 2.823 N/A THR 490.A OG1 GLY 492.A O no hydrogen 3.221 N/A LEU 494.A N LEU 532.A O no hydrogen 2.884 N/A GLY 496.A N GLN 530.A O no hydrogen 2.876 N/A THR 497.A N SER 585.A O no hydrogen 2.892 N/A THR 497.A OG1 ASP 590.A OD2 no hydrogen 2.891 N/A VAL 498.A N PHE 528.A O no hydrogen 2.808 N/A ARG 499.A N MET 583.A O no hydrogen 2.792 N/A ARG 499.A NE SER 585.A OG no hydrogen 3.002 N/A ARG 499.A NH1 ASP 614.A OD2 no hydrogen 2.703 N/A ARG 499.A NH2 SER 585.A OG no hydrogen 3.391 N/A ARG 499.A NH2 ASP 614.A OD1 no hydrogen 2.981 N/A ARG 499.A NH2 ASP 614.A OD2 no hydrogen 3.374 N/A ILE 500.A N ASP 526.A O no hydrogen 2.797 N/A PHE 501.A N PHE 581.A O no hydrogen 3.024 N/A MET 502.A N ILE 523.A O no hydrogen 3.015 N/A ALA 503.A N VAL 579.A O no hydrogen 2.993 N/A LYS 505.A N PRO 577.A O no hydrogen 3.171 N/A LYS 505.A NZ ASP 645.A OD2 no hydrogen 3.340 N/A ASP 507.A N GLN 511.A O no hydrogen 2.892 N/A ASN 509.A N ASP 507.A OD2 no hydrogen 3.020 N/A GLY 510.A N ASP 507.A O no hydrogen 2.884 N/A GLN 511.A N ASP 507.A OD2 no hydrogen 3.029 N/A GLN 511.A NE2 ASN 509.A O no hydrogen 3.093 N/A PHE 515.A N ALA 631.A O no hydrogen 2.684 N/A ASN 516.A ND2 MET 626.A O no hydrogen 3.066 N/A ASN 516.A ND2 ASP 629.A OD1 no hydrogen 2.815 N/A LYS 517.A N SER 514.A O no hydrogen 3.282 N/A LYS 517.A N SER 514.A OG no hydrogen 3.289 N/A GLN 518.A N SER 514.A O no hydrogen 2.940 N/A GLN 518.A NE2 PRO 504.A O no hydrogen 3.043 N/A ARG 519.A N PHE 515.A O no hydrogen 2.928 N/A ARG 519.A NE PHE 622.A O no hydrogen 2.886 N/A ARG 519.A NH1 GLU 416.A OE2 no hydrogen 3.039 N/A ARG 519.A NH1 ASN 516.A O no hydrogen 2.973 N/A ARG 519.A NH2 ASP 623.A O no hydrogen 3.127 N/A ARG 520.A N LYS 517.A O no hydrogen 3.199 N/A ARG 520.A NH1 ASP 409.A OD1 no hydrogen 3.265 N/A ARG 520.A NH2 ASP 408.A OD2 no hydrogen 2.879 N/A ARG 520.A NH2 ASP 409.A OD1 no hydrogen 2.986 N/A LEU 521.A N GLN 518.A O no hydrogen 2.820 N/A MET 522.A N ARG 519.A O no hydrogen 3.327 N/A ILE 523.A N MET 502.A O no hydrogen 2.850 N/A GLU 524.A N GLN 239.A OE1 no hydrogen 2.811 N/A LEU 525.A N ILE 500.A O no hydrogen 2.817 N/A ASP 526.A N ILE 500.A O no hydrogen 3.206 N/A LYS 527.A N ASP 526.A OD1 no hydrogen 3.151 N/A LYS 527.A N SER 547.A OG no hydrogen 2.860 N/A LYS 527.A NZ TYR 612.A OH no hydrogen 3.375 N/A LYS 527.A NZ ASP 614.A OD2 no hydrogen 3.059 N/A PHE 528.A N VAL 498.A O no hydrogen 3.038 N/A GLN 530.A N GLY 496.A O no hydrogen 2.910 N/A GLN 530.A NE2 ALA 531.A O no hydrogen 3.391 N/A LEU 532.A N LEU 494.A O no hydrogen 2.785 N/A ASN 537.A N VAL 486.A O no hydrogen 2.762 N/A THR 538.A OG1 GLU 485.A OE1 no hydrogen 2.921 N/A ILE 539.A N ILE 484.A O no hydrogen 2.885 N/A ARG 540.A NH1 GLU 439.A OE2 no hydrogen 2.226 N/A ARG 541.A N TYR 482.A O no hydrogen 3.105 N/A ARG 541.A NE ASP 526.A OD2 no hydrogen 2.773 N/A ARG 541.A NH2 ASP 526.A OD1 no hydrogen 3.105 N/A ARG 542.A NE ASP 545.A OD2 no hydrogen 3.037 N/A ARG 542.A NH2 ASP 545.A OD1 no hydrogen 2.876 N/A ARG 542.A NH2 ASP 545.A OD2 no hydrogen 3.387 N/A SER 543.A N PHE 480.A O no hydrogen 2.859 N/A SER 543.A OG GLU 479.A OE1 no hydrogen 2.663 N/A SER 543.A OG PHE 480.A O no hydrogen 3.017 N/A ASP 545.A N ARG 542.A O no hydrogen 3.003 N/A SER 546.A N SER 543.A O no hydrogen 3.237 N/A SER 546.A OG LEU 525.A O no hydrogen 2.924 N/A SER 547.A N ASP 526.A OD1 no hydrogen 2.913 N/A SER 547.A OG ASP 526.A OD1 no hydrogen 3.446 N/A SER 547.A OG LYS 527.A O no hydrogen 3.290 N/A SER 547.A OG SER 603.A OG no hydrogen 2.855 N/A VAL 548.A N SER 546.A OG no hydrogen 3.089 N/A THR 549.A OG1 HIS 564.A ND1 no hydrogen 2.720 N/A ILE 550.A N TRP 562.A O no hydrogen 2.917 N/A TYR 552.A OH THR 453.A O no hydrogen 3.197 N/A GLU 553.A N GLU 553.A OE1 no hydrogen 2.960 N/A ARG 554.A N PRO 551.A O no hydrogen 3.191 N/A ARG 554.A NH1 CYS 558.A O no hydrogen 2.873 N/A ARG 554.A NH1 ASP 600.A OD2 no hydrogen 2.686 N/A ARG 554.A NH2 ASP 600.A OD2 no hydrogen 2.413 N/A THR 555.A N TYR 552.A O no hydrogen 3.088 N/A GLY 561.A N HIS 206.A ND1 no hydrogen 3.177 N/A TRP 562.A N VAL 548.A O no hydrogen 3.100 N/A TRP 562.A NE1 MET 566.A O no hydrogen 2.875 N/A HIS 564.A N ILE 550.A O no hydrogen 3.115 N/A HIS 564.A ND1 THR 549.A OG1 no hydrogen 2.720 N/A HIS 564.A NE2 GLU 479.A OE1 no hydrogen 2.901 N/A HIS 565.A NE2 ASP 200.A OD1 no hydrogen 2.824 N/A MET 566.A N PRO 563.A O no hydrogen 3.011 N/A LEU 567.A N HIS 564.A O no hydrogen 3.078 N/A LYS 570.A N GLU 247.A OE1 no hydrogen 3.138 N/A THR 572.A N ILE 648.A O no hydrogen 3.285 N/A GLY 575.A N THR 572.A O no hydrogen 3.162 N/A TYR 576.A N ILE 648.A O no hydrogen 2.884 N/A VAL 578.A N CYS 646.A O no hydrogen 2.937 N/A VAL 579.A N ALA 503.A O no hydrogen 2.750 N/A LEU 580.A N ARG 644.A O no hydrogen 2.840 N/A PHE 581.A N PHE 501.A O no hydrogen 2.744 N/A VAL 582.A N ALA 642.A O no hydrogen 2.894 N/A MET 583.A N ARG 499.A O no hydrogen 3.020 N/A ILE 584.A N ASN 640.A O no hydrogen 2.960 N/A SER 585.A N THR 497.A O no hydrogen 2.975 N/A SER 585.A OG ASP 590.A OD2 no hydrogen 2.636 N/A TRP 587.A N MET 495.A O no hydrogen 3.123 N/A ASN 588.A N ASN 586.A OD1 no hydrogen 3.050 N/A ASN 589.A N ASN 586.A O no hydrogen 2.912 N/A ASP 590.A N TRP 587.A O no hydrogen 3.037 N/A ARG 591.A N TRP 587.A O no hydrogen 2.898 N/A SER 603.A N SER 547.A O no hydrogen 3.102 N/A SER 603.A OG GLU 524.A OE2 no hydrogen 2.728 N/A SER 603.A OG SER 547.A O no hydrogen 3.553 N/A SER 603.A OG SER 547.A OG no hydrogen 2.855 N/A TYR 604.A OH GLN 239.A OE1 no hydrogen 2.645 N/A CYS 605.A N ALA 601.A O no hydrogen 3.300 N/A GLY 606.A N ALA 602.A O no hydrogen 2.829 N/A ARG 608.A NH2 LEU 132.A O no hydrogen 3.277 N/A ARG 610.A N ILE 607.A O no hydrogen 3.045 N/A ARG 610.A NE ASP 595.A O no hydrogen 3.257 N/A ARG 610.A NH2 ASP 609.A O no hydrogen 3.054 N/A TYR 612.A N ASP 227.A OD2 no hydrogen 2.903 N/A TYR 612.A OH SER 603.A O no hydrogen 2.642 N/A ASP 614.A N TYR 612.A O no hydrogen 2.918 N/A LYS 615.A N ASP 590.A O no hydrogen 2.651 N/A GLN 616.A N ASP 614.A OD1 no hydrogen 3.123 N/A GLN 616.A NE2 ASN 589.A O no hydrogen 3.491 N/A GLN 616.A NE2 ASP 590.A OD1 no hydrogen 2.998 N/A MET 618.A N GLU 231.A OE1 no hydrogen 2.880 N/A TYR 620.A N ALA 617.A O no hydrogen 3.078 N/A PHE 622.A N GLY 619.A O no hydrogen 2.766 N/A ARG 624.A NH1 THR 419.A O no hydrogen 2.844 N/A ARG 624.A NH2 GLU 337.A OE1 no hydrogen 2.840 N/A MET 626.A N ASN 516.A OD1 no hydrogen 2.793 N/A ALA 630.A N ASN 628.A OD1 no hydrogen 2.781 N/A ALA 631.A N ASN 628.A O no hydrogen 3.041 N/A THR 632.A N ASP 635.A OD2 no hydrogen 3.107 N/A SER 634.A OG THR 632.A OG1 no hydrogen 3.175 N/A PHE 636.A N THR 632.A O no hydrogen 3.245 N/A PHE 636.A N LEU 633.A O no hydrogen 3.054 N/A LEU 637.A N SER 634.A O no hydrogen 3.311 N/A ARG 638.A NE ASP 427.A OD1 no hydrogen 2.642 N/A ARG 638.A NH2 ASP 427.A OD1 no hydrogen 3.387 N/A ARG 638.A NH2 ASP 427.A OD2 no hydrogen 2.774 N/A ASN 640.A ND2 LEU 426.A O no hydrogen 3.127 N/A ASN 640.A ND2 ILE 584.A O no hydrogen 2.723 N/A MET 641.A N ARG 638.A O no hydrogen 2.968 N/A ALA 642.A N VAL 582.A O no hydrogen 2.905 N/A ARG 644.A N LEU 580.A O no hydrogen 2.964 N/A ARG 644.A NH1 VAL 436.A O no hydrogen 2.965 N/A CYS 646.A N VAL 578.A O no hydrogen 2.880 N/A CYS 646.A SG ARG 644.A O no hydrogen 3.889 N/A SER 647.A N ASN 443.A O no hydrogen 2.978 N/A ILE 648.A N TYR 576.A O no hydrogen 2.824 N/A GLN 649.A N LEU 445.A O no hydrogen 2.836 N/A PHE 650.A N THR 572.A O no hydrogen 2.830 N/A SER 651.A N THR 447.A O no hydrogen 2.907 N/A THR 653.A N SER 651.A O no hydrogen 2.694 N/A VAL 655.A N TRP 449.A O no hydrogen 2.912 N/A