Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6u0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N THR 168.A OG1 no hydrogen 3.231 N/A ILE 4.A N THR 168.A O no hydrogen 3.114 N/A VAL 6.A N ARG 170.A O no hydrogen 2.927 N/A LEU 9.A N TYR 173.A O no hydrogen 3.024 N/A ILE 10.A N LEU 32.A O no hydrogen 2.753 N/A VAL 11.A N ILE 175.A O no hydrogen 2.933 N/A GLY 12.A N VAL 34.A O no hydrogen 2.623 N/A GLY 13.A N ASN 35.A OD1 no hydrogen 2.804 N/A LEU 18.A N GLY 14.A O no hydrogen 2.922 N/A THR 19.A N PRO 15.A O no hydrogen 2.945 N/A THR 19.A OG1 PRO 15.A O no hydrogen 2.736 N/A ALA 20.A N ALA 16.A O no hydrogen 3.126 N/A ALA 21.A N GLY 17.A O no hydrogen 2.799 N/A LEU 22.A N LEU 18.A O no hydrogen 2.805 N/A ALA 23.A N THR 19.A O no hydrogen 2.824 N/A LEU 24.A N ALA 20.A O no hydrogen 2.888 N/A SER 25.A N ALA 21.A O no hydrogen 2.863 N/A SER 25.A OG ALA 21.A O no hydrogen 2.832 N/A ARG 26.A N LEU 22.A O no hydrogen 2.885 N/A ARG 26.A NE LEU 60.A O no hydrogen 3.054 N/A ARG 26.A NH2 LEU 60.A O no hydrogen 3.118 N/A TYR 27.A N ALA 23.A O no hydrogen 2.999 N/A GLY 28.A N SER 25.A O no hydrogen 2.731 N/A VAL 29.A N LEU 24.A O no hydrogen 2.838 N/A HIS 31.A ND1 VAL 29.A O no hydrogen 3.003 N/A LEU 32.A N VAL 8.A O no hydrogen 2.983 N/A LEU 33.A N GLN 137.A O no hydrogen 2.648 N/A VAL 34.A N ILE 10.A O no hydrogen 2.765 N/A ASN 35.A N ARG 139.A O no hydrogen 2.911 N/A ASN 35.A ND2 HIS 37.A O no hydrogen 2.964 N/A ALA 41.A N GLU 123.A OE2 no hydrogen 2.809 N/A ALA 46.A N GLN 119.A OE1 no hydrogen 3.139 N/A HIS 47.A ND1 ASN 116.A OD1 no hydrogen 2.728 N/A LEU 49.A N CYS 115.A O no hydrogen 2.872 N/A ASN 50.A N ASN 323.A OD1 no hydrogen 2.836 N/A GLN 51.A NE2 TYR 106.A O no hydrogen 2.788 N/A GLN 51.A NE2 SER 112.A O no hydrogen 3.141 N/A ARG 52.A N ASN 50.A OD1 no hydrogen 3.058 N/A ARG 52.A NH1 GLU 55.A OE1 no hydrogen 2.930 N/A ARG 52.A NH2 ASP 552.A O no hydrogen 2.750 N/A THR 53.A N ASN 50.A OD1 no hydrogen 3.386 N/A THR 53.A OG1 ASN 323.A OD1 no hydrogen 2.625 N/A GLY 54.A N ASN 50.A O no hydrogen 3.110 N/A GLU 55.A N GLN 51.A O no hydrogen 3.037 N/A ILE 56.A N ARG 52.A O no hydrogen 3.044 N/A PHE 57.A N THR 53.A O no hydrogen 2.832 N/A ARG 58.A N GLY 54.A O no hydrogen 2.940 N/A ARG 58.A NE ASP 484.A OD1 no hydrogen 3.122 N/A ARG 58.A NH2 ASP 484.A OD1 no hydrogen 3.012 N/A ARG 58.A NH2 ASP 484.A OD2 no hydrogen 2.679 N/A ASP 59.A N GLU 55.A O no hydrogen 2.979 N/A LEU 60.A N ILE 56.A O no hydrogen 2.832 N/A GLY 61.A N ARG 58.A O no hydrogen 2.842 N/A ILE 62.A N PHE 57.A O no hydrogen 2.900 N/A VAL 66.A N ILE 62.A O no hydrogen 2.984 N/A GLU 67.A N ALA 63.A O no hydrogen 2.690 N/A ALA 68.A N ASP 64.A O no hydrogen 3.082 N/A HIS 69.A N VAL 66.A O no hydrogen 3.251 N/A HIS 69.A ND1 ARG 65.A O no hydrogen 3.076 N/A ALA 70.A N VAL 66.A O no hydrogen 3.191 N/A THR 71.A N ASN 116.A O no hydrogen 2.858 N/A LEU 75.A N PRO 72.A O no hydrogen 2.946 N/A MET 76.A N GLY 73.A O no hydrogen 2.986 N/A ASN 78.A ND2 PRO 218.A O no hydrogen 2.696 N/A HIS 79.A N ILE 93.A O no hydrogen 3.006 N/A VAL 80.A N LEU 221.A O no hydrogen 3.093 N/A PHE 81.A N ALA 91.A O no hydrogen 2.721 N/A MET 82.A N MET 223.A O no hydrogen 2.761 N/A SER 83.A N PRO 88.A O no hydrogen 3.102 N/A SER 83.A OG PRO 88.A O no hydrogen 2.824 N/A PHE 85.A N SER 273.A O no hydrogen 3.105 N/A ALA 86.A N ILE 274.A O no hydrogen 2.893 N/A GLY 87.A N THR 84.A O no hydrogen 3.291 N/A VAL 90.A N PHE 81.A O no hydrogen 2.637 N/A ALA 91.A N PHE 81.A O no hydrogen 2.999 N/A ARG 92.A NE GLU 89.A OE2 no hydrogen 2.831 N/A ARG 92.A NH2 GLU 89.A OE1 no hydrogen 2.781 N/A ARG 92.A NH2 GLU 89.A OE2 no hydrogen 3.104 N/A ILE 93.A N HIS 79.A O no hydrogen 3.162 N/A ALA 95.A N ALA 77.A O no hydrogen 3.022 N/A TYR 96.A N ALA 424.A O no hydrogen 2.717 N/A GLY 97.A N ASN 425.A OD1 no hydrogen 2.992 N/A ASN 98.A N ALA 95.A O no hydrogen 2.928 N/A ASN 98.A ND2 GLY 73.A O no hydrogen 3.194 N/A ASN 98.A ND2 ALA 95.A O no hydrogen 2.883 N/A ARG 102.A N GLY 99.A O no hydrogen 3.001 N/A ARG 102.A NE GLU 105.A OE1 no hydrogen 3.178 N/A ARG 102.A NH1 ASN 425.A O no hydrogen 3.110 N/A ARG 102.A NH1 LEU 456.A O no hydrogen 3.309 N/A ARG 102.A NH2 LEU 456.A O no hydrogen 2.843 N/A ILE 103.A N GLY 99.A O no hydrogen 3.095 N/A TYR 106.A N ARG 102.A O no hydrogen 3.035 N/A ARG 107.A N ILE 103.A O no hydrogen 2.888 N/A ALA 108.A N GLY 104.A O no hydrogen 2.980 N/A SER 110.A OG GLU 55.A OE2 no hydrogen 2.740 N/A SER 110.A OG SER 112.A O no hydrogen 3.255 N/A SER 112.A N SER 110.A OG no hydrogen 2.853 N/A SER 112.A OG GLY 113.A O no hydrogen 3.216 N/A CYS 115.A N LEU 49.A O no hydrogen 3.181 N/A ASN 116.A N THR 71.A O no hydrogen 3.001 N/A LEU 117.A N HIS 47.A O no hydrogen 2.798 N/A GLN 119.A N PRO 44.A O no hydrogen 2.841 N/A GLN 119.A N ALA 46.A O no hydrogen 3.046 N/A GLN 119.A NE2 GLU 123.A OE1 no hydrogen 2.941 N/A LEU 121.A N PRO 118.A O no hydrogen 2.917 N/A LEU 122.A N PRO 118.A O no hydrogen 3.010 N/A GLU 123.A N GLN 119.A O no hydrogen 2.757 N/A LEU 126.A N LEU 122.A O no hydrogen 3.228 N/A VAL 127.A N GLU 123.A O no hydrogen 2.958 N/A GLU 128.A N PRO 124.A O no hydrogen 2.816 N/A ALA 129.A N LEU 125.A O no hydrogen 3.024 N/A VAL 130.A N LEU 126.A O no hydrogen 2.994 N/A GLN 131.A N VAL 127.A O no hydrogen 2.870 N/A GLU 132.A N GLU 128.A O no hydrogen 2.879 N/A ALA 133.A N ALA 129.A O no hydrogen 3.258 N/A ALA 133.A N VAL 130.A O no hydrogen 3.134 N/A CYS 134.A N VAL 130.A O no hydrogen 3.251 N/A GLN 137.A N HIS 31.A O no hydrogen 2.936 N/A ARG 139.A N LEU 33.A O no hydrogen 2.717 N/A ARG 139.A NE GLN 137.A OE1 no hydrogen 2.916 N/A ARG 139.A NH1 TYR 167.A OH no hydrogen 3.400 N/A ARG 139.A NH2 GLN 137.A OE1 no hydrogen 3.037 N/A GLY 141.A N ASN 35.A O no hydrogen 2.767 N/A GLY 141.A N HIS 37.A O no hydrogen 3.285 N/A HIS 142.A N ASN 35.A O no hydrogen 3.001 N/A HIS 142.A ND1 TYR 167.A OH no hydrogen 2.281 N/A GLU 143.A N THR 159.A O no hydrogen 2.998 N/A VAL 145.A N ARG 157.A O no hydrogen 2.797 N/A LEU 147.A N GLN 187.A OE1 no hydrogen 2.937 N/A GLU 148.A N THR 155.A O no hydrogen 2.782 N/A GLN 149.A NE2 SER 301.A O no hydrogen 2.760 N/A ASP 150.A N GLY 153.A O no hydrogen 2.926 N/A HIS 152.A N ASP 150.A OD1 no hydrogen 2.896 N/A VAL 154.A N SER 171.A O no hydrogen 2.859 N/A THR 155.A N GLU 148.A O no hydrogen 2.702 N/A SER 156.A N VAL 169.A O no hydrogen 2.811 N/A ARG 157.A N SER 146.A O no hydrogen 2.698 N/A ILE 158.A N TYR 167.A O no hydrogen 2.871 N/A THR 159.A N GLU 143.A O no hydrogen 2.949 N/A THR 159.A OG1 ASP 166.A OD1 no hydrogen 2.842 N/A ASP 160.A N ARG 165.A O no hydrogen 3.013 N/A ARG 161.A N GLY 141.A O no hydrogen 3.090 N/A ARG 161.A NH1 ARG 36.A O no hydrogen 2.941 N/A ARG 162.A N ASP 160.A OD1 no hydrogen 3.170 N/A GLY 164.A N ASP 160.A O no hydrogen 2.754 N/A ARG 165.A N THR 163.A OG1 no hydrogen 2.978 N/A TYR 167.A N ILE 158.A O no hydrogen 2.886 N/A TYR 167.A OH HIS 142.A ND1 no hydrogen 2.281 N/A THR 168.A N ASP 3.A OD1 no hydrogen 2.860 N/A THR 168.A OG1 ASP 3.A OD1 no hydrogen 3.195 N/A VAL 169.A N SER 156.A O no hydrogen 2.915 N/A ARG 170.A N ILE 4.A O no hydrogen 2.774 N/A ARG 170.A NH1 ASP 150.A OD2 no hydrogen 2.858 N/A ARG 170.A NH1 THR 155.A OG1 no hydrogen 2.782 N/A ARG 170.A NH2 ASP 150.A OD1 no hydrogen 2.779 N/A ARG 170.A NH2 ASP 150.A OD2 no hydrogen 3.254 N/A SER 171.A N VAL 154.A O no hydrogen 3.023 N/A SER 171.A OG TYR 173.A O no hydrogen 2.984 N/A ASP 172.A N PRO 7.A O no hydrogen 2.816 N/A TYR 173.A N PRO 7.A O no hydrogen 3.161 N/A LEU 174.A N ARG 303.A O no hydrogen 2.921 N/A ILE 175.A N LEU 9.A O no hydrogen 2.768 N/A GLY 176.A N PHE 305.A O no hydrogen 2.618 N/A ALA 177.A N VAL 11.A O no hydrogen 2.821 N/A SER 182.A OG ASP 178.A OD1 no hydrogen 2.535 N/A SER 182.A OG ASP 178.A OD2 no hydrogen 3.443 N/A VAL 184.A N ASP 178.A OD2 no hydrogen 3.123 N/A LEU 185.A N SER 182.A OG no hydrogen 2.839 N/A ALA 186.A N SER 182.A O no hydrogen 3.124 N/A GLN 187.A N ARG 183.A O no hydrogen 2.915 N/A LEU 188.A N LEU 185.A O no hydrogen 3.222 N/A GLY 189.A N ALA 186.A O no hydrogen 2.723 N/A ILE 190.A N LEU 185.A O no hydrogen 3.077 N/A ASP 193.A N VAL 295.A O no hydrogen 3.007 N/A ALA 195.A N SER 293.A O no hydrogen 3.059 N/A GLY 197.A N ASN 292.A OD1 no hydrogen 3.114 N/A ILE 198.A N VAL 291.A O no hydrogen 2.866 N/A ARG 200.A NH1 ALA 256.A O no hydrogen 3.028 N/A ARG 200.A NH2 ALA 256.A O no hydrogen 3.156 N/A ALA 201.A N TRP 289.A O no hydrogen 2.907 N/A VAL 202.A N THR 250.A O no hydrogen 3.060 N/A THR 203.A N SER 287.A O no hydrogen 2.765 N/A THR 204.A N HIS 248.A O no hydrogen 2.789 N/A TRP 205.A N ASN 285.A O no hydrogen 3.034 N/A TRP 205.A NE1 GLU 245.A OE2 no hydrogen 2.892 N/A PHE 206.A N TRP 246.A O no hydrogen 3.015 N/A GLU 207.A N THR 282.A O no hydrogen 2.946 N/A ALA 208.A N THR 244.A O no hydrogen 2.925 N/A LEU 210.A N TRP 243.A O no hydrogen 3.179 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.058 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.699 N/A TYR 213.A N LEU 210.A O no hydrogen 2.754 N/A TYR 213.A OH ASP 276.A OD2 no hydrogen 2.765 N/A SER 214.A N SER 211.A O no hydrogen 3.090 N/A SER 214.A OG LEU 210.A O no hydrogen 3.088 N/A ALA 215.A N SER 211.A O no hydrogen 3.044 N/A ARG 217.A N SER 214.A O no hydrogen 2.801 N/A ARG 217.A NE TYR 213.A O no hydrogen 2.943 N/A ARG 217.A NH1 GLU 89.A OE1 no hydrogen 2.840 N/A ARG 217.A NH2 TYR 213.A O no hydrogen 3.056 N/A TYR 222.A N PHE 237.A O no hydrogen 2.890 N/A TYR 222.A OH SER 214.A O no hydrogen 3.347 N/A TYR 222.A OH ARG 217.A O no hydrogen 2.936 N/A MET 223.A N VAL 80.A O no hydrogen 2.874 N/A GLY 224.A N ARG 235.A O no hydrogen 2.726 N/A ALA 225.A N SER 83.A O no hydrogen 3.056 N/A GLY 228.A N GLN 392.A OE1 no hydrogen 2.536 N/A SER 229.A N GLN 392.A OE1 no hydrogen 3.159 N/A SER 229.A OG VAL 226.A O no hydrogen 2.719 N/A SER 229.A OG ASP 233.A OD2 no hydrogen 3.519 N/A ASP 233.A N PRO 230.A O no hydrogen 3.028 N/A ARG 235.A N GLY 224.A O no hydrogen 2.897 N/A ARG 235.A NH1 GLU 272.A OE1 no hydrogen 2.700 N/A ARG 235.A NH1 SER 273.A OG no hydrogen 2.831 N/A ARG 235.A NH2 ASP 233.A OD2 no hydrogen 3.064 N/A ARG 235.A NH2 GLU 272.A OE1 no hydrogen 2.993 N/A VAL 236.A N LEU 249.A O no hydrogen 2.919 N/A PHE 237.A N TYR 222.A O no hydrogen 2.775 N/A VAL 238.A N LEU 247.A O no hydrogen 3.058 N/A SER 239.A N LEU 220.A O no hydrogen 2.864 N/A LEU 240.A N GLU 245.A O no hydrogen 2.878 N/A ARG 241.A N GLU 245.A O no hydrogen 3.009 N/A ARG 241.A NE GLU 245.A OE1 no hydrogen 3.182 N/A ARG 241.A NH2 GLU 245.A OE1 no hydrogen 3.380 N/A THR 244.A N ARG 241.A O no hydrogen 2.743 N/A GLU 245.A N ARG 241.A O no hydrogen 3.027 N/A TRP 246.A N PHE 206.A O no hydrogen 2.996 N/A TRP 246.A NE1 TRP 243.A O no hydrogen 3.084 N/A LEU 247.A N VAL 238.A O no hydrogen 3.115 N/A HIS 248.A N THR 204.A O no hydrogen 2.766 N/A HIS 248.A NE2 SER 273.A OG no hydrogen 2.797 N/A LEU 249.A N VAL 236.A O no hydrogen 2.826 N/A THR 250.A N VAL 202.A O no hydrogen 3.317 N/A THR 255.A OG1 THR 255.A O no hydrogen 2.314 N/A GLU 261.A N ASP 259.A OD1 no hydrogen 3.127 N/A ASP 262.A N ASP 259.A O no hydrogen 2.948 N/A HIS 263.A N GLU 261.A O no hydrogen 2.724 N/A ALA 265.A N ASP 262.A O no hydrogen 2.987 N/A ALA 265.A N ASP 262.A OD1 no hydrogen 3.378 N/A VAL 266.A N ASP 262.A O no hydrogen 3.262 N/A ARG 267.A N HIS 263.A O no hydrogen 3.168 N/A ARG 267.A NE VAL 281.A O no hydrogen 3.168 N/A ALA 268.A N GLU 264.A O no hydrogen 3.232 N/A GLY 269.A N ALA 265.A O no hydrogen 3.171 N/A ILE 270.A N VAL 266.A O no hydrogen 3.021 N/A ARG 271.A N ARG 267.A O no hydrogen 3.054 N/A ARG 271.A NE PRO 277.A O no hydrogen 3.409 N/A ARG 271.A NH2 PRO 277.A O no hydrogen 3.510 N/A GLU 272.A N ALA 268.A O no hydrogen 2.983 N/A SER 273.A N GLY 269.A O no hydrogen 3.030 N/A SER 273.A OG HIS 248.A NE2 no hydrogen 2.797 N/A SER 273.A OG GLY 269.A O no hydrogen 3.107 N/A ILE 274.A N ILE 270.A O no hydrogen 2.920 N/A GLY 275.A N ARG 271.A O no hydrogen 2.783 N/A THR 278.A N ASP 276.A OD1 no hydrogen 3.059 N/A THR 278.A OG1 ASP 276.A OD1 no hydrogen 2.914 N/A THR 282.A N GLU 207.A O no hydrogen 2.989 N/A LYS 284.A N TRP 205.A O no hydrogen 2.781 N/A LYS 284.A NZ GLU 207.A OE2 no hydrogen 3.197 N/A ASN 285.A N TRP 205.A O no hydrogen 3.343 N/A SER 287.A N THR 203.A O no hydrogen 3.009 N/A SER 287.A OG ASN 285.A OD1 no hydrogen 2.728 N/A TRP 289.A N ALA 201.A O no hydrogen 3.001 N/A TRP 289.A NE1 THR 203.A OG1 no hydrogen 2.855 N/A VAL 291.A N ALA 199.A O no hydrogen 2.907 N/A ASN 292.A ND2 GLN 313.A OE1 no hydrogen 2.987 N/A SER 293.A N ALA 195.A O no hydrogen 3.011 N/A ALA 294.A N GLN 313.A O no hydrogen 2.961 N/A VAL 295.A N ASP 193.A O no hydrogen 3.017 N/A ALA 296.A N VAL 311.A O no hydrogen 2.829 N/A TYR 299.A N HIS 353.A ND1 no hydrogen 3.138 N/A TYR 299.A OH ARG 356.A O no hydrogen 3.426 N/A SER 301.A N VAL 304.A O no hydrogen 2.838 N/A ARG 303.A N GLN 149.A OE1 no hydrogen 2.856 N/A ARG 303.A NE GLU 151.A O no hydrogen 3.199 N/A ARG 303.A NH1 ASP 172.A O no hydrogen 2.586 N/A ARG 303.A NH2 GLU 151.A O no hydrogen 3.239 N/A VAL 304.A N SER 301.A O no hydrogen 3.098 N/A PHE 305.A N LEU 174.A O no hydrogen 2.923 N/A CYS 306.A N TYR 299.A O no hydrogen 2.791 N/A VAL 307.A N GLY 176.A O no hydrogen 2.662 N/A GLY 308.A N ASP 328.A OD2 no hydrogen 3.226 N/A VAL 311.A N GLY 308.A O no hydrogen 3.035 N/A HIS 312.A N GLY 308.A O no hydrogen 3.141 N/A HIS 312.A NE2 ASP 328.A OD2 no hydrogen 2.598 N/A GLN 313.A N ALA 294.A O no hydrogen 2.859 N/A GLN 313.A NE2 ASP 309.A O no hydrogen 3.082 N/A ASN 314.A ND2 PRO 315.A O no hydrogen 3.058 N/A THR 317.A OG1 ALA 367.A O no hydrogen 2.596 N/A ASN 318.A ND2 GLY 422.A O no hydrogen 2.865 N/A GLY 319.A N PRO 316.A O no hydrogen 3.012 N/A ASN 323.A ND2 LEU 48.A O no hydrogen 3.046 N/A ASN 323.A ND2 GLY 319.A O no hydrogen 2.640 N/A SER 324.A N LEU 320.A O no hydrogen 2.838 N/A SER 324.A OG LEU 320.A O no hydrogen 2.548 N/A ALA 325.A N GLY 321.A O no hydrogen 3.019 N/A VAL 326.A N LEU 322.A O no hydrogen 3.008 N/A ALA 327.A N ASN 323.A O no hydrogen 2.931 N/A ASP 328.A N SER 324.A O no hydrogen 2.705 N/A SER 329.A N ALA 325.A O no hydrogen 3.074 N/A SER 329.A OG ALA 16.A O no hydrogen 2.645 N/A PHE 330.A N VAL 326.A O no hydrogen 2.989 N/A ASN 331.A N ALA 327.A O no hydrogen 2.949 N/A ASN 331.A N ASP 328.A O no hydrogen 3.119 N/A ASN 331.A ND2 GLU 355.A OE1 no hydrogen 2.889 N/A ASN 331.A ND2 TYR 435.A OH no hydrogen 3.401 N/A LEU 332.A N ASP 328.A O no hydrogen 3.228 N/A CYS 333.A N SER 329.A O no hydrogen 3.221 N/A CYS 333.A SG ALA 20.A O no hydrogen 3.708 N/A CYS 333.A SG SER 329.A O no hydrogen 3.262 N/A LYS 335.A NZ ASN 331.A OD1 no hydrogen 2.773 N/A LYS 335.A NZ THR 351.A OG1 no hydrogen 2.663 N/A LYS 335.A NZ GLU 355.A OE1 no hydrogen 2.958 N/A LEU 336.A N LEU 332.A O no hydrogen 3.053 N/A LYS 337.A N CYS 333.A O no hydrogen 2.989 N/A LYS 337.A NZ GLU 341.A OE1 no hydrogen 3.282 N/A LEU 338.A N TRP 334.A O no hydrogen 3.258 N/A ALA 339.A N LYS 335.A O no hydrogen 3.143 N/A LEU 340.A N LEU 336.A O no hydrogen 2.953 N/A GLU 341.A N LEU 338.A O no hydrogen 3.238 N/A GLY 342.A N ALA 339.A O no hydrogen 2.908 N/A LEU 343.A N LEU 338.A O no hydrogen 2.926 N/A GLY 345.A N LEU 576.A O no hydrogen 3.444 N/A LEU 348.A N GLY 345.A O no hydrogen 3.281 N/A ASP 350.A N PRO 346.A O no hydrogen 3.006 N/A THR 351.A N LEU 348.A O no hydrogen 2.788 N/A THR 351.A OG1 LEU 348.A O no hydrogen 2.636 N/A TYR 352.A N LEU 349.A O no hydrogen 3.124 N/A TYR 352.A OH CYS 306.A O no hydrogen 2.746 N/A ASP 354.A N ASP 350.A O no hydrogen 3.373 N/A GLU 355.A N THR 351.A O no hydrogen 3.051 N/A ARG 356.A N TYR 352.A O no hydrogen 2.927 N/A ARG 356.A NE ASP 328.A OD1 no hydrogen 2.503 N/A ARG 356.A NH1 TYR 435.A OH no hydrogen 3.109 N/A ARG 356.A NH2 ASP 328.A OD1 no hydrogen 2.752 N/A GLN 357.A N HIS 353.A O no hydrogen 2.843 N/A GLN 357.A NE2 ALA 296.A O no hydrogen 2.709 N/A VAL 359.A N ARG 356.A O no hydrogen 3.081 N/A GLY 360.A N ARG 356.A O no hydrogen 3.097 N/A ARG 361.A N GLN 357.A O no hydrogen 3.157 N/A GLN 362.A N PRO 358.A O no hydrogen 3.044 N/A ILE 363.A N VAL 359.A O no hydrogen 2.956 N/A VAL 364.A N GLY 360.A O no hydrogen 3.059 N/A ASP 365.A N ARG 361.A O no hydrogen 3.127 N/A ARG 366.A N GLN 362.A O no hydrogen 2.863 N/A ARG 366.A NE ARG 366.A O no hydrogen 2.975 N/A ARG 366.A NE SER 370.A OG no hydrogen 3.277 N/A ARG 366.A NH1 GLU 455.A OE1 no hydrogen 2.784 N/A ARG 366.A NH2 SER 370.A OG no hydrogen 2.854 N/A ARG 366.A NH2 ASP 373.A OD2 no hydrogen 3.514 N/A ALA 367.A N ILE 363.A O no hydrogen 2.926 N/A PHE 368.A N VAL 364.A O no hydrogen 2.965 N/A ARG 369.A N ASP 365.A O no hydrogen 3.135 N/A ARG 369.A NE ASP 365.A OD1 no hydrogen 3.568 N/A ARG 369.A NE ASP 365.A OD2 no hydrogen 3.340 N/A ARG 369.A NH1 GLU 455.A OE1 no hydrogen 2.908 N/A ARG 369.A NH2 ASP 365.A OD2 no hydrogen 3.003 N/A ARG 369.A NH2 GLU 455.A OE1 no hydrogen 3.504 N/A ARG 369.A NH2 GLU 455.A OE2 no hydrogen 2.855 N/A SER 370.A N ARG 366.A O no hydrogen 3.086 N/A SER 370.A OG ASN 318.A OD1 no hydrogen 2.710 N/A SER 370.A OG ARG 366.A O no hydrogen 3.171 N/A SER 370.A OG GLY 422.A O no hydrogen 3.411 N/A MET 371.A N ALA 367.A O no hydrogen 3.065 N/A MET 371.A N PHE 368.A O no hydrogen 2.951 N/A VAL 372.A N PHE 368.A O no hydrogen 3.079 N/A ASP 373.A N ARG 369.A O no hydrogen 3.045 N/A LEU 374.A N MET 371.A O no hydrogen 2.966 N/A ILE 375.A N VAL 372.A O no hydrogen 3.408 N/A GLY 376.A N ASP 373.A O no hydrogen 3.074 N/A ILE 377.A N LEU 374.A O no hydrogen 3.370 N/A GLN 379.A N ILE 375.A O no hydrogen 3.189 N/A ALA 380.A N GLY 376.A O no hydrogen 3.017 N/A LEU 381.A N ILE 377.A O no hydrogen 3.194 N/A LEU 381.A N PRO 378.A O no hydrogen 3.189 N/A GLY 382.A N GLN 379.A O no hydrogen 3.006 N/A PHE 383.A N PRO 378.A O no hydrogen 3.050 N/A THR 384.A N GLN 387.A OE1 no hydrogen 3.067 N/A THR 384.A OG1 GLU 385.A O no hydrogen 2.834 N/A GLN 387.A NE2 GLY 382.A O no hydrogen 3.388 N/A SER 388.A N GLU 391.A OE1 no hydrogen 2.518 N/A SER 388.A OG GLU 391.A OE1 no hydrogen 2.888 N/A GLU 391.A N SER 388.A OG no hydrogen 2.969 N/A GLN 392.A N SER 388.A O no hydrogen 3.335 N/A GLN 392.A N PRO 389.A O no hydrogen 3.120 N/A GLN 392.A NE2 SER 229.A O no hydrogen 2.968 N/A GLN 392.A NE2 GLN 387.A OE1 no hydrogen 2.753 N/A TRP 393.A N PRO 389.A O no hydrogen 2.907 N/A ARG 394.A N GLU 390.A O no hydrogen 3.067 N/A LEU 395.A N GLU 391.A O no hydrogen 3.044 N/A LEU 396.A N GLN 392.A O no hydrogen 3.029 N/A ASP 397.A N TRP 393.A O no hydrogen 2.843 N/A THR 398.A N ARG 394.A O no hydrogen 2.860 N/A THR 398.A OG1 ARG 394.A O no hydrogen 2.958 N/A THR 398.A OG1 LEU 395.A O no hydrogen 3.367 N/A LEU 399.A N LEU 396.A O no hydrogen 3.237 N/A GLU 401.A N THR 398.A O no hydrogen 3.288 N/A ALA 406.A N THR 403.A OG1 no hydrogen 3.086 N/A ARG 407.A N THR 403.A O no hydrogen 3.045 N/A ARG 407.A NH2 GLU 404.A OE2 no hydrogen 3.098 N/A GLN 408.A N GLU 404.A O no hydrogen 2.900 N/A GLN 408.A NE2 GLU 404.A OE1 no hydrogen 2.838 N/A ARG 409.A N GLU 405.A O no hydrogen 3.031 N/A ARG 409.A NH1 LEU 381.A O no hydrogen 2.857 N/A ARG 409.A NH1 LEU 395.A O no hydrogen 2.781 N/A ARG 409.A NH2 LEU 395.A O no hydrogen 3.195 N/A ARG 409.A NH2 GLU 405.A OE2 no hydrogen 3.341 N/A ARG 410.A N ALA 406.A O no hydrogen 2.817 N/A ARG 410.A NH1 LEU 399.A O no hydrogen 2.725 N/A ARG 410.A NH1 GLU 401.A O no hydrogen 2.801 N/A ARG 410.A NH2 GLU 401.A O no hydrogen 3.483 N/A ALA 411.A N ARG 407.A O no hydrogen 2.998 N/A ALA 412.A N GLN 408.A O no hydrogen 2.878 N/A LEU 413.A N ARG 409.A O no hydrogen 2.952 N/A ALA 414.A N ARG 410.A O no hydrogen 2.997 N/A ALA 415.A N ALA 411.A O no hydrogen 3.103 N/A ALA 416.A N ALA 412.A O no hydrogen 2.889 N/A THR 417.A N LEU 413.A O no hydrogen 2.626 N/A THR 417.A OG1 LEU 413.A O no hydrogen 3.093 N/A ALA 418.A N ALA 414.A O no hydrogen 2.920 N/A ALA 419.A N ALA 415.A O no hydrogen 3.323 N/A ILE 420.A N THR 417.A O no hydrogen 2.911 N/A HIS 421.A N ALA 418.A O no hydrogen 3.418 N/A GLY 422.A N ALA 419.A O no hydrogen 3.156 N/A GLN 423.A N ILE 420.A O no hydrogen 2.889 N/A GLN 423.A NE2 SER 370.A O no hydrogen 3.158 N/A ALA 424.A N ILE 420.A O no hydrogen 3.021 N/A ASN 425.A N HIS 421.A O no hydrogen 2.911 N/A ASN 425.A ND2 GLY 94.A O no hydrogen 2.844 N/A ASN 425.A ND2 HIS 421.A ND1 no hydrogen 3.098 N/A HIS 427.A N ASN 425.A O no hydrogen 2.818 N/A HIS 427.A N LEU 456.A O no hydrogen 3.076 N/A HIS 427.A NE2 GLN 51.A OE1 no hydrogen 2.755 N/A VAL 429.A N ALA 426.A O no hydrogen 3.165 N/A VAL 429.A N GLU 455.A O no hydrogen 3.244 N/A GLU 430.A N ALA 426.A O no hydrogen 3.146 N/A LEU 431.A N HIS 427.A O no hydrogen 3.096 N/A ARG 434.A NH1 GLU 447.A OE2 no hydrogen 2.803 N/A ARG 434.A NH1 PRO 448.A O no hydrogen 3.209 N/A ARG 434.A NH2 ARG 459.A O no hydrogen 3.044 N/A TYR 435.A N GLY 465.A O no hydrogen 3.009 N/A ARG 436.A NE GLU 447.A OE1 no hydrogen 2.650 N/A ARG 436.A NH2 GLU 447.A OE1 no hydrogen 3.234 N/A ARG 436.A NH2 GLU 447.A OE2 no hydrogen 2.669 N/A ALA 439.A N GLU 355.A OE2 no hydrogen 2.931 N/A LEU 440.A N GLY 438.A O no hydrogen 2.678 N/A VAL 441.A N ALA 556.A O no hydrogen 2.840 N/A THR 445.A N ASP 443.A OD1 no hydrogen 2.933 N/A THR 445.A OG1 ASP 443.A OD1 no hydrogen 2.649 N/A THR 445.A OG1 ASP 443.A OD2 no hydrogen 3.438 N/A ARG 452.A N ASP 450.A OD1 no hydrogen 3.206 N/A ARG 452.A NH1 GLU 105.A OE2 no hydrogen 2.809 N/A GLU 455.A N ASP 453.A OD1 no hydrogen 3.004 N/A LEU 456.A N ASP 453.A O no hydrogen 3.053 N/A TYR 457.A N ASP 453.A O no hydrogen 3.129 N/A ARG 459.A NH1 ALA 460.A O no hydrogen 3.002 N/A ARG 459.A NH1 GLU 540.A OE1 no hydrogen 2.948 N/A THR 461.A OG1 GLU 540.A OE2 no hydrogen 2.656 N/A THR 462.A N GLU 540.A OE2 no hydrogen 3.107 N/A THR 462.A OG1 ARG 539.A O no hydrogen 2.820 N/A TRP 463.A N THR 461.A OG1 no hydrogen 3.037 N/A TRP 463.A NE1 THR 445.A O no hydrogen 3.281 N/A GLY 465.A N VAL 555.A O no hydrogen 2.818 N/A ALA 466.A N TRP 463.A O no hydrogen 2.946 N/A ARG 467.A NE GLU 55.A OE1 no hydrogen 2.680 N/A ARG 467.A NE GLU 55.A OE2 no hydrogen 3.393 N/A ARG 467.A NH1 GLU 55.A OE2 no hydrogen 2.756 N/A ARG 467.A NH1 ALA 109.A O no hydrogen 2.994 N/A ARG 467.A NH2 TYR 458.A OH no hydrogen 2.926 N/A ARG 467.A NH2 ARG 467.A O no hydrogen 3.348 N/A LEU 468.A N GLY 553.A O no hydrogen 2.916 N/A HIS 470.A ND1 SER 481.A OG no hydrogen 2.640 N/A ALA 471.A N THR 482.A OG1 no hydrogen 2.947 N/A LEU 473.A N CYS 480.A O no hydrogen 2.776 N/A GLU 474.A N ARG 529.A O no hydrogen 2.929 N/A ASN 475.A N HIS 478.A O no hydrogen 2.768 N/A HIS 478.A N ASN 475.A O no hydrogen 3.163 N/A CYS 480.A N LEU 473.A O no hydrogen 2.980 N/A SER 481.A N ASP 484.A OD2 no hydrogen 2.895 N/A SER 481.A OG HIS 470.A ND1 no hydrogen 2.640 N/A THR 482.A N ALA 471.A O no hydrogen 3.154 N/A THR 482.A OG1 PRO 469.A O no hydrogen 2.681 N/A LEU 483.A N SER 481.A OG no hydrogen 3.155 N/A ASP 484.A N SER 481.A O no hydrogen 2.999 N/A THR 486.A OG1 THR 482.A O no hydrogen 2.971 N/A ARG 488.A N ASP 59.A OD2 no hydrogen 2.676 N/A ARG 490.A N GLY 487.A O no hydrogen 3.375 N/A ARG 490.A NH1 GLY 487.A O no hydrogen 3.404 N/A ARG 490.A NH2 VAL 485.A O no hydrogen 3.092 N/A THR 492.A N VAL 549.A O no hydrogen 2.912 N/A LEU 493.A N ALA 518.A O no hydrogen 2.750 N/A LEU 494.A N VAL 547.A O no hydrogen 2.892 N/A THR 495.A N LEU 520.A O no hydrogen 3.154 N/A GLY 499.A N GLY 496.A O no hydrogen 2.847 N/A GLU 500.A N GLU 500.A OE1 no hydrogen 2.983 N/A TRP 502.A N GLY 499.A O no hydrogen 3.124 N/A TRP 502.A NE1 SER 544.A O no hydrogen 2.807 N/A ARG 503.A N GLU 500.A O no hydrogen 3.265 N/A ALA 505.A N PRO 501.A O no hydrogen 3.435 N/A ALA 506.A N TRP 502.A O no hydrogen 2.982 N/A ARG 507.A N ARG 503.A O no hydrogen 3.229 N/A ARG 507.A NH2 ASP 508.A OD1 no hydrogen 2.980 N/A ASP 508.A N ASP 504.A O no hydrogen 2.879 N/A ALA 509.A N ALA 505.A O no hydrogen 2.727 N/A ALA 510.A N ALA 506.A O no hydrogen 3.196 N/A LEU 511.A N ARG 507.A O no hydrogen 3.235 N/A ASP 512.A N ASP 508.A O no hydrogen 3.141 N/A THR 513.A OG1 ALA 509.A O no hydrogen 2.811 N/A GLY 514.A N ALA 510.A O no hydrogen 2.827 N/A VAL 515.A N THR 513.A OG1 no hydrogen 3.161 N/A ALA 518.A N PHE 491.A O no hydrogen 3.084 N/A LEU 520.A N LEU 493.A O no hydrogen 2.850 N/A ILE 522.A N THR 495.A O no hydrogen 2.766 N/A GLY 523.A N PRO 528.A O no hydrogen 2.926 N/A GLY 527.A N ALA 524.A O no hydrogen 2.762 N/A ARG 529.A N GLU 474.A O no hydrogen 2.626 N/A ARG 529.A NE GLU 474.A OE1 no hydrogen 3.362 N/A ARG 529.A NH2 GLU 474.A OE1 no hydrogen 2.850 N/A GLY 533.A N ASP 530.A O no hydrogen 3.128 N/A TRP 535.A N ASP 530.A OD1 no hydrogen 3.107 N/A ALA 536.A N ASP 530.A OD2 no hydrogen 2.842 N/A GLU 537.A N GLY 533.A O no hydrogen 3.280 N/A LEU 538.A N THR 534.A O no hydrogen 3.010 N/A LEU 538.A N TRP 535.A O no hydrogen 3.291 N/A ARG 539.A N TRP 535.A O no hydrogen 2.993 N/A GLU 542.A N ARG 560.A O no hydrogen 2.742 N/A GLY 545.A N GLU 542.A O no hydrogen 2.880 N/A ALA 546.A N ALA 559.A O no hydrogen 2.882 N/A VAL 547.A N LEU 494.A O no hydrogen 3.017 N/A LEU 548.A N TRP 557.A O no hydrogen 2.824 N/A VAL 549.A N THR 492.A O no hydrogen 2.605 N/A ARG 550.A N HIS 554.A O no hydrogen 2.888 N/A ARG 550.A NE ASP 552.A OD1 no hydrogen 3.027 N/A ARG 550.A NH1 GLU 355.A OE1 no hydrogen 3.359 N/A ARG 550.A NH1 GLU 355.A OE2 no hydrogen 2.660 N/A ARG 550.A NH1 ALA 439.A O no hydrogen 3.026 N/A ARG 550.A NH2 GLU 355.A OE1 no hydrogen 2.818 N/A ARG 550.A NH2 ASP 552.A OD2 no hydrogen 2.683 N/A GLY 553.A N ARG 550.A O no hydrogen 3.014 N/A HIS 554.A N ASP 552.A OD1 no hydrogen 3.175 N/A HIS 554.A ND1 GLY 465.A O no hydrogen 3.019 N/A VAL 555.A N ALA 466.A O no hydrogen 2.875 N/A ALA 556.A N LEU 548.A O no hydrogen 2.821 N/A ARG 558.A NE ASP 443.A OD2 no hydrogen 2.625 N/A ARG 558.A NH1 THR 462.A OG1 no hydrogen 3.106 N/A ARG 558.A NH1 GLU 540.A OE2 no hydrogen 3.195 N/A ARG 558.A NH2 ASP 443.A OD2 no hydrogen 3.414 N/A ARG 558.A NH2 THR 445.A OG1 no hydrogen 3.105 N/A ALA 559.A N ALA 546.A O no hydrogen 3.026 N/A HIS 562.A N SER 544.A OG no hydrogen 2.871 N/A HIS 562.A ND1 GLY 498.A O no hydrogen 3.151 N/A GLY 563.A N ASP 561.A OD1 no hydrogen 2.860 N/A HIS 564.A N ASP 561.A O no hydrogen 3.280 N/A HIS 564.A ND1 GLU 567.A OE2 no hydrogen 3.108 N/A ALA 565.A N HIS 562.A O no hydrogen 2.809 N/A GLU 567.A N HIS 564.A O no hydrogen 2.952 N/A LEU 568.A N ALA 565.A O no hydrogen 3.201 N/A VAL 571.A N GLU 567.A O no hydrogen 2.942 N/A MET 572.A N LEU 568.A O no hydrogen 2.925 N/A ALA 573.A N PRO 569.A O no hydrogen 3.192 N/A ALA 573.A N GLU 570.A O no hydrogen 3.193 N/A ARG 574.A N GLU 570.A O no hydrogen 3.029 N/A ARG 574.A N VAL 571.A O no hydrogen 3.091 N/A VAL 575.A N VAL 571.A O no hydrogen 2.908 N/A LEU 576.A N MET 572.A O no hydrogen 2.981 N/A HIS 577.A N ARG 574.A O no hydrogen 3.095 N/A HIS 577.A ND1 VAL 575.A O no hydrogen 3.115 N/A GLN 578.A N ALA 573.A O no hydrogen 3.067 N/A GLN 578.A NE2 LEU 343.A O no hydrogen 2.915 N/A GLN 578.A NE2 THR 513.A O no hydrogen 2.881 N/A