Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m6l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASN 1.A O no hydrogen 3.032 N/A GLN 6.A N ILE 2.A O no hydrogen 2.890 N/A GLU 7.A N GLN 3.A O no hydrogen 3.020 N/A GLN 8.A N ILE 4.A O no hydrogen 2.838 N/A ALA 9.A N LEU 5.A O no hydrogen 2.851 N/A ASN 10.A N GLN 6.A O no hydrogen 2.874 N/A THR 11.A N GLU 7.A O no hydrogen 2.887 N/A THR 11.A OG1 GLU 7.A O no hydrogen 2.722 N/A THR 11.A OG1 SER 282.A OG no hydrogen 3.357 N/A LEU 12.A N GLN 8.A O no hydrogen 2.987 N/A ARG 13.A N ALA 9.A O no hydrogen 2.882 N/A ARG 13.A NE LYS 240.A O no hydrogen 3.033 N/A ARG 13.A NH1 ASN 10.A OD1 no hydrogen 3.103 N/A ARG 13.A NH1 ASP 35.A OD1 no hydrogen 3.128 N/A ARG 13.A NH2 LEU 31.A O no hydrogen 2.969 N/A ARG 13.A NH2 ASP 35.A OD2 no hydrogen 2.911 N/A PHE 14.A N ASN 10.A O no hydrogen 2.951 N/A LEU 15.A N THR 11.A O no hydrogen 2.972 N/A SER 16.A N LEU 12.A O no hydrogen 3.016 N/A SER 16.A OG LEU 12.A O no hydrogen 2.853 N/A ALA 17.A N ARG 13.A O no hydrogen 2.858 N/A ASP 18.A N PHE 14.A O no hydrogen 2.874 N/A GLN 20.A N ALA 17.A O no hydrogen 2.918 N/A LYS 21.A N ASP 18.A O no hydrogen 2.999 N/A LYS 21.A NZ LYS 87.A O no hydrogen 2.909 N/A ASN 23.A N GLN 20.A O no hydrogen 3.002 N/A SER 24.A N VAL 19.A O no hydrogen 3.254 N/A GLY 28.A N SER 251.A O no hydrogen 2.929 N/A LEU 31.A N PRO 27.A O no hydrogen 3.133 N/A GLY 32.A N GLY 28.A O no hydrogen 2.956 N/A LEU 33.A N ALA 29.A O no hydrogen 2.854 N/A LEU 33.A N PRO 30.A O no hydrogen 3.306 N/A LEU 37.A N LEU 33.A O no hydrogen 2.961 N/A SER 38.A N ALA 34.A O no hydrogen 3.006 N/A SER 38.A OG ALA 34.A O no hydrogen 2.837 N/A VAL 39.A N ASP 35.A O no hydrogen 3.244 N/A LEU 40.A N ILE 36.A O no hydrogen 2.938 N/A SER 41.A N LEU 37.A O no hydrogen 2.966 N/A SER 41.A OG SER 38.A O no hydrogen 2.662 N/A TYR 42.A N VAL 39.A O no hydrogen 2.999 N/A TYR 42.A OH GLN 8.A OE1 no hydrogen 2.603 N/A HIS 43.A N LEU 40.A O no hydrogen 2.888 N/A HIS 43.A NE2 ASN 217.A OD1 no hydrogen 2.847 N/A LEU 44.A N LEU 40.A O no hydrogen 2.961 N/A LYS 45.A N ASP 57.A OD2 no hydrogen 2.947 N/A LYS 45.A NZ HIS 43.A O no hydrogen 3.448 N/A ASN 47.A ND2 GLU 297.A OE1 no hydrogen 2.690 N/A LYS 49.A N ASN 47.A OD1 no hydrogen 2.994 N/A LYS 49.A NZ GLY 78.A O no hydrogen 2.937 N/A ASN 50.A N ASN 47.A O no hydrogen 2.814 N/A ASN 50.A ND2 GLU 297.A OE1 no hydrogen 3.254 N/A ASN 50.A ND2 GLU 297.A OE2 no hydrogen 2.805 N/A THR 52.A N ASN 50.A OD1 no hydrogen 3.033 N/A THR 52.A OG1 ASN 50.A OD1 no hydrogen 2.830 N/A TRP 53.A N ASN 50.A O no hydrogen 3.081 N/A ASN 55.A ND2 ASP 140.A OD1 no hydrogen 2.703 N/A ARG 56.A N TRP 53.A O no hydrogen 3.165 N/A ARG 56.A NE GLU 108.A OE2 no hydrogen 2.831 N/A ARG 56.A NH1 TRP 53.A O no hydrogen 2.898 N/A ARG 56.A NH2 GLU 108.A OE1 no hydrogen 2.861 N/A ASP 57.A N LYS 45.A O no hydrogen 2.901 N/A ARG 58.A N LYS 142.A O no hydrogen 3.046 N/A ARG 58.A NH1 LEU 54.A O no hydrogen 2.947 N/A ARG 58.A NH1 ARG 56.A O no hydrogen 2.827 N/A ARG 58.A NH2 LEU 54.A O no hydrogen 3.030 N/A ARG 58.A NH2 TYR 398.A O no hydrogen 3.011 N/A VAL 60.A N TYR 144.A O no hydrogen 2.823 N/A SER 62.A N LEU 146.A O no hydrogen 2.824 N/A SER 62.A OG ASP 151.A OD1 no hydrogen 2.628 N/A ALA 66.A N GLY 63.A O no hydrogen 3.037 N/A SER 67.A N GLY 64.A O no hydrogen 3.127 N/A SER 67.A OG GLY 98.A O no hydrogen 2.808 N/A LEU 70.A N ALA 66.A O no hydrogen 3.352 N/A TYR 71.A N SER 67.A O no hydrogen 2.904 N/A TYR 71.A OH PRO 97.A O no hydrogen 2.508 N/A SER 72.A N ALA 68.A O no hydrogen 2.959 N/A SER 72.A OG ALA 68.A O no hydrogen 2.821 N/A PHE 73.A N LEU 69.A O no hydrogen 3.020 N/A LEU 74.A N LEU 70.A O no hydrogen 2.889 N/A HIS 75.A N TYR 71.A O no hydrogen 2.961 N/A LEU 76.A N SER 72.A O no hydrogen 2.892 N/A SER 77.A N PHE 73.A O no hydrogen 2.911 N/A SER 77.A OG PHE 73.A O no hydrogen 2.854 N/A GLY 78.A N LEU 74.A O no hydrogen 3.264 N/A GLY 78.A N HIS 75.A O no hydrogen 3.308 N/A TYR 79.A N LEU 74.A O no hydrogen 3.090 N/A LEU 81.A N TYR 79.A O no hydrogen 2.855 N/A SER 82.A N ASP 85.A OD2 no hydrogen 2.916 N/A ASP 85.A N SER 82.A OG no hydrogen 3.039 N/A LEU 86.A N SER 82.A O no hydrogen 3.128 N/A LYS 87.A N LEU 83.A O no hydrogen 3.148 N/A ASN 88.A N ASP 85.A O no hydrogen 2.950 N/A PHE 89.A N LEU 86.A O no hydrogen 3.219 N/A ARG 90.A N THR 96.A O no hydrogen 2.910 N/A ARG 90.A NH1 SER 24.A OG no hydrogen 2.958 N/A ARG 90.A NH2 GLY 98.A O no hydrogen 3.192 N/A GLN 91.A N ASN 88.A O no hydrogen 3.018 N/A SER 94.A N GLN 91.A O no hydrogen 3.001 N/A SER 94.A OG ASN 88.A O no hydrogen 3.051 N/A SER 94.A OG GLN 91.A O no hydrogen 3.286 N/A SER 94.A OG THR 96.A OG1 no hydrogen 3.181 N/A THR 96.A N SER 94.A OG no hydrogen 3.050 N/A THR 96.A OG1 ASP 85.A O no hydrogen 2.726 N/A THR 96.A OG1 SER 94.A OG no hydrogen 3.181 N/A THR 104.A N GLU 101.A O no hydrogen 3.018 N/A THR 104.A OG1 LYS 95.A O no hydrogen 2.604 N/A VAL 107.A N THR 104.A O no hydrogen 3.069 N/A THR 111.A OG1 PHE 61.A O no hydrogen 2.822 N/A GLY 115.A N ASP 151.A OD1 no hydrogen 2.836 N/A GLN 116.A N PRO 113.A O no hydrogen 3.280 N/A ALA 119.A N GLY 115.A O no hydrogen 3.355 N/A ASN 120.A N GLN 116.A O no hydrogen 2.701 N/A ALA 121.A N GLY 117.A O no hydrogen 2.778 N/A VAL 122.A N VAL 118.A O no hydrogen 3.001 N/A GLY 123.A N ALA 119.A O no hydrogen 2.906 N/A PHE 124.A N ASN 120.A O no hydrogen 2.824 N/A ALA 125.A N ALA 121.A O no hydrogen 2.994 N/A ALA 127.A N PHE 124.A O no hydrogen 2.871 N/A LYS 128.A N ALA 125.A O no hydrogen 2.944 N/A LYS 128.A NZ ASP 170.A OD1 no hydrogen 2.540 N/A LYS 129.A NZ VAL 375.A O no hydrogen 2.987 N/A LYS 129.A NZ GLY 377.A O no hydrogen 3.048 N/A ALA 130.A N ALA 126.A O no hydrogen 2.740 N/A GLN 131.A N ALA 127.A O no hydrogen 2.836 N/A ASN 132.A N LYS 128.A O no hydrogen 3.031 N/A ASN 132.A ND2 GLU 376.A O no hydrogen 3.619 N/A LEU 133.A N LYS 129.A O no hydrogen 3.052 N/A LEU 134.A N ALA 130.A O no hydrogen 2.788 N/A GLY 135.A N GLN 131.A O no hydrogen 2.869 N/A LEU 138.A N GLY 135.A O no hydrogen 3.118 N/A ILE 139.A N GLY 135.A O no hydrogen 3.028 N/A ASP 140.A N ASN 55.A OD1 no hydrogen 2.926 N/A HIS 141.A ND1 LYS 142.A O no hydrogen 3.002 N/A HIS 141.A NE2 TYR 398.A OH no hydrogen 2.639 N/A LYS 142.A N ASP 57.A OD1 no hydrogen 2.853 N/A LYS 142.A NZ ASP 170.A O no hydrogen 3.140 N/A LYS 142.A NZ LYS 224.A O no hydrogen 3.113 N/A ILE 143.A N ASN 171.A O no hydrogen 2.834 N/A TYR 144.A N ARG 58.A O no hydrogen 2.837 N/A CYS 145.A N ILE 173.A O no hydrogen 2.942 N/A CYS 145.A SG VAL 60.A O no hydrogen 3.835 N/A CYS 145.A SG GLY 117.A O no hydrogen 3.917 N/A CYS 145.A SG LEU 146.A O no hydrogen 3.941 N/A LEU 146.A N VAL 60.A O no hydrogen 2.872 N/A CYS 147.A N ILE 175.A O no hydrogen 2.936 N/A CYS 147.A SG ILE 175.A O no hydrogen 3.924 N/A GLY 148.A N ASP 151.A OD2 no hydrogen 2.955 N/A LEU 152.A N GLY 148.A O no hydrogen 3.321 N/A GLN 153.A N ASP 149.A O no hydrogen 3.165 N/A SER 157.A N GLU 154.A O no hydrogen 3.006 N/A SER 157.A OG ASP 151.A O no hydrogen 3.063 N/A SER 157.A OG GLU 154.A O no hydrogen 2.785 N/A TYR 158.A OH GLU 193.A OE1 no hydrogen 3.401 N/A TYR 158.A OH GLU 193.A OE2 no hydrogen 2.573 N/A GLU 159.A N GLY 155.A O no hydrogen 3.083 N/A ALA 160.A N ILE 156.A O no hydrogen 2.957 N/A CYS 161.A N SER 157.A O no hydrogen 2.883 N/A CYS 161.A SG SER 157.A O no hydrogen 3.301 N/A SER 162.A N TYR 158.A O no hydrogen 2.986 N/A LEU 163.A N GLU 159.A O no hydrogen 3.344 N/A ALA 164.A N ALA 160.A O no hydrogen 3.066 N/A GLY 165.A N CYS 161.A O no hydrogen 2.923 N/A LEU 166.A N SER 162.A O no hydrogen 3.155 N/A HIS 167.A N LEU 163.A O no hydrogen 2.990 N/A LYS 168.A N GLY 165.A O no hydrogen 3.105 N/A LEU 169.A N ALA 164.A O no hydrogen 3.095 N/A ASP 170.A N LYS 168.A O no hydrogen 2.867 N/A ASN 171.A ND2 ALA 125.A O no hydrogen 3.136 N/A PHE 172.A N LEU 169.A O no hydrogen 3.187 N/A ILE 173.A N ILE 143.A O no hydrogen 2.867 N/A LEU 174.A N CYS 230.A O no hydrogen 2.811 N/A ILE 175.A N CYS 145.A O no hydrogen 2.747 N/A TYR 176.A N ILE 232.A O no hydrogen 2.819 N/A TYR 176.A OH ASP 149.A OD1 no hydrogen 2.666 N/A ASP 177.A N CYS 147.A O no hydrogen 2.869 N/A SER 178.A N ALA 234.A O no hydrogen 2.869 N/A ILE 181.A N ASN 179.A OD1 no hydrogen 3.091 N/A SER 182.A N GLY 185.A O no hydrogen 2.751 N/A GLY 185.A N SER 182.A O no hydrogen 3.116 N/A VAL 187.A N ASN 180.A O no hydrogen 2.992 N/A GLY 188.A N ASP 186.A OD1 no hydrogen 2.952 N/A LEU 189.A N ASP 186.A O no hydrogen 3.154 N/A ALA 190.A N VAL 187.A O no hydrogen 2.911 N/A PHE 191.A N VAL 187.A O no hydrogen 2.984 N/A LYS 196.A NZ GLU 199.A OE1 no hydrogen 2.715 N/A ARG 197.A NH1 LEU 152.A O no hydrogen 2.906 N/A ARG 197.A NH1 GLU 193.A OE1 no hydrogen 3.006 N/A ARG 197.A NH2 LEU 152.A O no hydrogen 3.110 N/A ARG 197.A NH2 SER 157.A OG no hydrogen 3.126 N/A PHE 198.A N VAL 195.A O no hydrogen 3.162 N/A GLU 199.A N LYS 196.A O no hydrogen 2.893 N/A GLN 201.A N PHE 198.A O no hydrogen 3.058 N/A GLN 201.A NE2 TYR 158.A O no hydrogen 3.001 N/A GLY 202.A N GLU 199.A O no hydrogen 3.036 N/A PHE 203.A N PHE 198.A O no hydrogen 3.029 N/A GLU 204.A N PRO 229.A O no hydrogen 2.855 N/A LEU 206.A N LEU 231.A O no hydrogen 2.787 N/A ILE 208.A N ILE 233.A O no hydrogen 2.846 N/A ASN 209.A N GLU 215.A OE2 no hydrogen 2.939 N/A GLY 210.A N LYS 235.A O no hydrogen 2.775 N/A HIS 211.A N ASN 209.A OD1 no hydrogen 2.731 N/A HIS 211.A ND1 ASP 35.A OD2 no hydrogen 2.757 N/A ASP 212.A N ASN 209.A O no hydrogen 3.230 N/A TYR 213.A OH ASP 35.A OD1 no hydrogen 2.543 N/A GLU 215.A N ASP 212.A OD1 no hydrogen 3.004 N/A ILE 216.A N ASP 212.A O no hydrogen 2.923 N/A ASN 217.A N TYR 213.A O no hydrogen 2.910 N/A LYS 218.A N GLU 214.A O no hydrogen 2.914 N/A ALA 219.A N GLU 215.A O no hydrogen 2.931 N/A LEU 220.A N ILE 216.A O no hydrogen 3.008 N/A GLU 221.A N ASN 217.A O no hydrogen 2.995 N/A GLN 222.A N LYS 218.A O no hydrogen 2.963 N/A ALA 223.A N ALA 219.A O no hydrogen 2.682 N/A LYS 224.A N LEU 220.A O no hydrogen 2.951 N/A LYS 224.A NZ HIS 43.A ND1 no hydrogen 2.751 N/A LYS 225.A N GLN 222.A O no hydrogen 3.062 N/A SER 226.A N ALA 223.A O no hydrogen 3.106 N/A SER 226.A OG GLU 204.A OE1 no hydrogen 2.638 N/A SER 226.A OG LYS 228.A O no hydrogen 2.981 N/A LYS 228.A N SER 226.A OG no hydrogen 3.154 N/A CYS 230.A N PHE 172.A O no hydrogen 2.912 N/A CYS 230.A SG GLU 204.A O no hydrogen 3.615 N/A LEU 231.A N GLU 204.A O no hydrogen 2.863 N/A ILE 232.A N LEU 174.A O no hydrogen 2.804 N/A ILE 233.A N LEU 206.A O no hydrogen 2.624 N/A ALA 234.A N TYR 176.A O no hydrogen 2.881 N/A LYS 235.A N ILE 208.A O no hydrogen 2.978 N/A THR 236.A N SER 178.A O no hydrogen 3.049 N/A THR 236.A OG1 ASP 177.A OD1 no hydrogen 2.269 N/A THR 237.A N HIS 211.A NE2 no hydrogen 2.976 N/A ALA 239.A N GLY 28.A O no hydrogen 3.036 N/A LYS 240.A N THR 237.A O no hydrogen 3.175 N/A GLY 241.A N GLU 246.A OE2 no hydrogen 2.836 N/A ALA 242.A N ALA 239.A O no hydrogen 2.844 N/A LEU 245.A N ALA 242.A O no hydrogen 2.994 N/A GLU 246.A N GLY 243.A O no hydrogen 3.067 N/A GLY 247.A N ILE 238.A O no hydrogen 2.860 N/A SER 248.A N LEU 245.A O no hydrogen 2.988 N/A LYS 250.A N SER 248.A OG no hydrogen 3.003 N/A SER 251.A N SER 248.A O no hydrogen 3.045 N/A SER 251.A OG SER 248.A O no hydrogen 2.793 N/A HIS 252.A N HIS 249.A O no hydrogen 3.172 N/A GLY 257.A N GLN 20.A OE1 no hydrogen 2.841 N/A ILE 261.A N GLY 257.A O no hydrogen 3.136 N/A LYS 262.A N GLU 258.A O no hydrogen 2.979 N/A LYS 262.A NZ ASN 273.A OD1 no hydrogen 3.158 N/A LYS 263.A N GLU 259.A O no hydrogen 2.998 N/A ALA 264.A N VAL 260.A O no hydrogen 2.931 N/A LYS 265.A N ILE 261.A O no hydrogen 2.984 N/A LYS 265.A NZ ASP 18.A OD1 no hydrogen 2.995 N/A LYS 265.A NZ ASP 18.A OD2 no hydrogen 3.453 N/A LYS 265.A NZ ILE 274.A O no hydrogen 2.881 N/A GLU 266.A N LYS 262.A O no hydrogen 2.965 N/A GLN 267.A N LYS 263.A O no hydrogen 3.030 N/A ALA 268.A N ALA 264.A O no hydrogen 3.143 N/A ALA 268.A N LYS 265.A O no hydrogen 3.023 N/A GLY 269.A N GLU 266.A O no hydrogen 3.203 N/A PHE 270.A N LYS 265.A O no hydrogen 2.891 N/A ASN 273.A N ASP 271.A OD1 no hydrogen 2.779 N/A PHE 276.A N ASP 18.A OD2 no hydrogen 2.807 N/A SER 282.A N GLU 7.A OE1 no hydrogen 2.706 N/A SER 282.A OG GLU 7.A OE1 no hydrogen 2.693 N/A SER 282.A OG THR 11.A OG1 no hydrogen 3.357 N/A LYS 283.A N PRO 279.A O no hydrogen 2.883 N/A ILE 284.A N GLN 280.A O no hydrogen 2.996 N/A ARG 285.A N ALA 281.A O no hydrogen 3.034 N/A ARG 285.A NH1 TYR 42.A OH no hydrogen 3.083 N/A PHE 286.A N SER 282.A O no hydrogen 3.028 N/A GLU 287.A N LYS 283.A O no hydrogen 3.085 N/A SER 288.A N ILE 284.A O no hydrogen 3.077 N/A SER 288.A N ARG 285.A O no hydrogen 3.240 N/A SER 288.A OG ARG 285.A O no hydrogen 2.675 N/A ALA 289.A N PHE 286.A O no hydrogen 3.155 N/A VAL 290.A N GLU 287.A O no hydrogen 2.958 N/A LEU 292.A N SER 288.A O no hydrogen 3.061 N/A GLY 293.A N ALA 289.A O no hydrogen 2.799 N/A ASP 294.A N VAL 290.A O no hydrogen 3.000 N/A LEU 295.A N GLU 291.A O no hydrogen 3.188 N/A GLU 296.A N LEU 292.A O no hydrogen 3.054 N/A GLU 297.A N GLY 293.A O no hydrogen 2.931 N/A ALA 298.A N ASP 294.A O no hydrogen 2.954 N/A LYS 299.A N LEU 295.A O no hydrogen 2.920 N/A TRP 300.A N GLU 296.A O no hydrogen 3.060 N/A TRP 300.A NE1 LEU 138.A O no hydrogen 2.730 N/A LYS 301.A N GLU 297.A O no hydrogen 2.956 N/A ASP 302.A N ALA 298.A O no hydrogen 3.051 N/A LYS 303.A N LYS 299.A O no hydrogen 3.091 N/A LEU 304.A N TRP 300.A O no hydrogen 2.836 N/A GLU 305.A N LYS 301.A O no hydrogen 2.947 N/A LYS 306.A N ASP 302.A O no hydrogen 3.243 N/A SER 307.A N LEU 304.A O no hydrogen 2.972 N/A LYS 309.A N SER 307.A OG no hydrogen 2.989 N/A LYS 310.A NZ GLU 305.A O no hydrogen 2.720 N/A LYS 310.A NZ SER 307.A O no hydrogen 2.917 N/A LEU 313.A N LYS 309.A O no hydrogen 2.981 N/A GLU 314.A N LYS 310.A O no hydrogen 3.014 N/A ARG 315.A N GLU 311.A O no hydrogen 2.996 N/A ARG 315.A NE GLU 352.A OE1 no hydrogen 2.756 N/A ARG 315.A NH2 GLU 352.A OE2 no hydrogen 3.073 N/A LEU 316.A N LEU 312.A O no hydrogen 2.796 N/A LEU 317.A N LEU 313.A O no hydrogen 2.943 N/A ASN 318.A N ARG 315.A O no hydrogen 3.345 N/A ASN 318.A ND2 GLU 314.A O no hydrogen 3.043 N/A ILE 324.A N PHE 321.A O no hydrogen 3.451 N/A LYS 330.A N ASP 328.A OD1 no hydrogen 3.081 N/A LYS 330.A NZ GLU 499.A OE1 no hydrogen 3.321 N/A LYS 332.A N PHE 329.A O no hydrogen 3.009 N/A LEU 334.A N LEU 494.A O no hydrogen 3.121 N/A THR 336.A N SER 490.A OG no hydrogen 3.048 N/A THR 336.A OG1 SER 490.A OG no hydrogen 3.365 N/A ARG 337.A N SER 490.A O no hydrogen 3.216 N/A ARG 337.A NE ARG 491.A O no hydrogen 3.268 N/A ARG 337.A NH1 SER 364.A O no hydrogen 2.903 N/A ARG 337.A NH2 ARG 491.A O no hydrogen 3.465 N/A ASP 338.A N ALA 335.A O no hydrogen 2.893 N/A SER 339.A N ALA 335.A O no hydrogen 3.197 N/A SER 339.A OG THR 336.A O no hydrogen 3.215 N/A ASN 340.A N THR 336.A O no hydrogen 2.938 N/A ASN 340.A ND2 ASN 471.A OD1 no hydrogen 3.193 N/A GLY 341.A N ARG 337.A O no hydrogen 3.173 N/A GLU 342.A N ASP 338.A O no hydrogen 3.079 N/A ILE 343.A N SER 339.A O no hydrogen 3.034 N/A LEU 344.A N ASN 340.A O no hydrogen 2.863 N/A ASN 345.A N GLY 341.A O no hydrogen 2.972 N/A ASN 345.A ND2 GLY 341.A O no hydrogen 2.884 N/A ASN 345.A ND2 GLU 368.A O no hydrogen 3.001 N/A VAL 346.A N GLU 342.A O no hydrogen 3.128 N/A LEU 347.A N ILE 343.A O no hydrogen 2.816 N/A ALA 348.A N LEU 344.A O no hydrogen 2.990 N/A LYS 349.A N ASN 345.A O no hydrogen 3.069 N/A ASN 350.A N VAL 346.A O no hydrogen 3.084 N/A ASN 350.A N LEU 347.A O no hydrogen 3.188 N/A ASN 350.A ND2 VAL 346.A O no hydrogen 2.920 N/A LEU 351.A N LEU 347.A O no hydrogen 2.870 N/A PHE 354.A N LEU 351.A O no hydrogen 3.034 N/A LEU 355.A N LEU 402.A O no hydrogen 3.284 N/A GLY 356.A N LYS 378.A O no hydrogen 3.414 N/A GLY 357.A N PHE 404.A O no hydrogen 3.252 N/A SER 358.A OG ALA 406.A O no hydrogen 3.346 N/A ALA 359.A N ALA 406.A O no hydrogen 3.097 N/A LEU 361.A N SER 358.A OG no hydrogen 2.981 N/A SER 364.A N LEU 361.A O no hydrogen 2.906 N/A ASN 365.A N LEU 361.A O no hydrogen 2.691 N/A LYS 366.A N GLY 362.A O no hydrogen 2.868 N/A LYS 366.A NZ ASP 338.A OD1 no hydrogen 2.777 N/A THR 367.A N GLY 362.A O no hydrogen 3.213 N/A LEU 369.A N ASN 379.A OD1 no hydrogen 2.729 N/A HIS 370.A N ASN 345.A OD1 no hydrogen 2.719 N/A PHE 374.A N ASN 379.A O no hydrogen 2.893 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 2.769 N/A GLY 377.A N ASP 373.A O no hydrogen 2.780 N/A LYS 378.A NZ ALA 348.A O no hydrogen 3.132 N/A LYS 378.A NZ LEU 351.A O no hydrogen 2.821 N/A LYS 378.A NZ GLU 352.A O no hydrogen 3.423 N/A LYS 378.A NZ PHE 354.A O no hydrogen 2.678 N/A ASN 379.A N GLY 372.A O no hydrogen 2.933 N/A ASN 379.A ND2 LEU 369.A O no hydrogen 2.917 N/A ASN 379.A ND2 GLY 372.A O no hydrogen 2.914 N/A ILE 380.A N GLY 356.A O no hydrogen 2.915 N/A PHE 382.A N SER 358.A O no hydrogen 3.413 N/A ARG 385.A N GLY 383.A O no hydrogen 3.010 N/A ARG 385.A NH1 PHE 382.A O no hydrogen 2.787 N/A ARG 385.A NH2 SER 162.A OG no hydrogen 2.874 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.870 N/A ALA 388.A N GLU 159.A OE1 no hydrogen 2.905 N/A ALA 390.A N HIS 387.A O no hydrogen 3.056 N/A ILE 391.A N ALA 388.A O no hydrogen 2.754 N/A ASN 393.A N ALA 389.A O no hydrogen 2.859 N/A ASN 393.A ND2 ALA 418.A O no hydrogen 2.965 N/A ALA 394.A N ALA 390.A O no hydrogen 3.271 N/A PHE 395.A N ILE 391.A O no hydrogen 2.928 N/A ALA 396.A N ASN 392.A O no hydrogen 2.981 N/A ARG 397.A N ASN 393.A O no hydrogen 3.167 N/A ARG 397.A N ALA 394.A O no hydrogen 3.027 N/A ARG 397.A NE GLU 108.A O no hydrogen 2.961 N/A ARG 397.A NH2 VAL 107.A O no hydrogen 3.347 N/A ARG 397.A NH2 GLU 108.A O no hydrogen 3.154 N/A TYR 398.A N PHE 395.A O no hydrogen 3.219 N/A TYR 398.A OH HIS 141.A NE2 no hydrogen 2.639 N/A LEU 402.A N GLY 353.A O no hydrogen 2.888 N/A PHE 404.A N LEU 355.A O no hydrogen 3.022 N/A SER 405.A N PHE 429.A O no hydrogen 2.956 N/A SER 405.A OG ASN 392.A OD1 no hydrogen 2.769 N/A SER 405.A OG HIS 428.A NE2 no hydrogen 2.733 N/A THR 407.A N ILE 431.A O no hydrogen 3.107 N/A PHE 409.A N THR 433.A O no hydrogen 2.732 N/A PHE 411.A N PHE 408.A O no hydrogen 2.888 N/A SER 412.A N PHE 409.A O no hydrogen 3.047 N/A SER 412.A OG PHE 409.A O no hydrogen 2.732 N/A GLU 413.A N ILE 410.A O no hydrogen 3.442 N/A TYR 414.A N PHE 411.A O no hydrogen 3.021 N/A LEU 415.A N SER 412.A O no hydrogen 2.958 N/A ALA 419.A N LEU 415.A O no hydrogen 3.036 N/A ARG 420.A N LYS 416.A O no hydrogen 2.863 N/A ILE 421.A N PRO 417.A O no hydrogen 3.347 N/A ALA 422.A N ALA 418.A O no hydrogen 3.099 N/A ALA 423.A N ALA 419.A O no hydrogen 3.098 N/A LEU 424.A N ARG 420.A O no hydrogen 2.837 N/A LYS 425.A NZ ASP 482.A OD2 no hydrogen 3.455 N/A ILE 426.A N ALA 422.A O no hydrogen 3.207 N/A LYS 427.A NZ ALA 478.A O no hydrogen 2.928 N/A LYS 427.A NZ ALA 481.A O no hydrogen 2.789 N/A HIS 428.A ND1 ASN 393.A OD1 no hydrogen 2.767 N/A HIS 428.A NE2 SER 405.A OG no hydrogen 2.733 N/A PHE 429.A N PRO 403.A O no hydrogen 3.069 N/A PHE 430.A N SER 485.A O no hydrogen 2.923 N/A ILE 431.A N SER 405.A O no hydrogen 2.727 N/A PHE 432.A N PHE 487.A O no hydrogen 2.761 N/A THR 433.A N THR 407.A O no hydrogen 3.240 N/A THR 433.A OG1 ASN 365.A OD1 no hydrogen 2.933 N/A THR 433.A OG1 HIS 434.A ND1 no hydrogen 2.724 N/A HIS 434.A ND1 THR 433.A OG1 no hydrogen 2.724 N/A ASP 435.A N LEU 489.A O no hydrogen 3.260 N/A GLY 438.A N SER 436.A OG no hydrogen 2.815 N/A VAL 439.A N SER 436.A O no hydrogen 3.018 N/A GLY 440.A N ILE 437.A O no hydrogen 2.935 N/A GLU 441.A N GLU 441.A OE1 no hydrogen 2.804 N/A GLY 443.A N GLY 440.A O no hydrogen 3.105 N/A HIS 446.A N GLY 443.A O no hydrogen 2.863 N/A GLN 447.A N PRO 444.A O no hydrogen 3.391 N/A GLN 447.A NE2 GLU 598.A O no hydrogen 2.852 N/A ILE 449.A N GLN 451.A OE1 no hydrogen 2.961 N/A GLU 450.A N GLU 450.A OE1 no hydrogen 2.629 N/A GLN 451.A NE2 GLU 413.A OE2 no hydrogen 2.726 N/A SER 453.A OG HIS 579.A O no hydrogen 2.968 N/A SER 453.A OG GLU 582.A OE1 no hydrogen 2.646 N/A SER 453.A OG GLU 582.A OE2 no hydrogen 3.474 N/A THR 454.A N GLU 450.A O no hydrogen 3.157 N/A THR 454.A OG1 GLU 450.A O no hydrogen 3.397 N/A PHE 455.A N GLN 451.A O no hydrogen 3.099 N/A ARG 456.A N LEU 452.A O no hydrogen 2.924 N/A ARG 456.A NH1 GLU 576.A OE1 no hydrogen 2.795 N/A ARG 456.A NH1 GLU 576.A OE2 no hydrogen 3.437 N/A ARG 456.A NH1 GLU 582.A OE2 no hydrogen 2.881 N/A ARG 456.A NH2 GLU 576.A OE2 no hydrogen 2.728 N/A ALA 457.A N SER 453.A O no hydrogen 2.911 N/A ASN 459.A ND2 ALA 423.A O no hydrogen 2.945 N/A LEU 461.A N PRO 484.A O no hydrogen 3.163 N/A THR 462.A N GLU 554.A OE1 no hydrogen 3.077 N/A THR 462.A OG1 GLU 554.A OE2 no hydrogen 2.887 N/A PHE 463.A N ALA 486.A O no hydrogen 2.882 N/A ARG 464.A N PRO 551.A O no hydrogen 2.912 N/A ARG 464.A NE ASP 435.A OD2 no hydrogen 2.822 N/A ARG 464.A NH1 SER 525.A OG no hydrogen 2.891 N/A ARG 464.A NH1 GLU 528.A OE1 no hydrogen 3.051 N/A ARG 464.A NH2 ASP 435.A OD2 no hydrogen 2.992 N/A ARG 464.A NH2 GLU 528.A OE1 no hydrogen 2.979 N/A ALA 466.A N GLU 470.A OE1 no hydrogen 2.741 N/A GLU 470.A N ASP 467.A OD1 no hydrogen 2.825 N/A ASN 471.A N ASP 467.A O no hydrogen 3.016 N/A ASN 471.A ND2 SER 339.A OG no hydrogen 2.724 N/A VAL 472.A N GLY 468.A O no hydrogen 2.943 N/A LYS 473.A N VAL 469.A O no hydrogen 3.015 N/A LYS 473.A NZ ASP 504.A OD1 no hydrogen 2.902 N/A LYS 473.A NZ ASP 504.A OD2 no hydrogen 3.357 N/A ALA 474.A N GLU 470.A O no hydrogen 2.842 N/A TRP 475.A N ASN 471.A O no hydrogen 3.169 N/A GLN 476.A N VAL 472.A O no hydrogen 3.027 N/A ILE 477.A N LYS 473.A O no hydrogen 3.114 N/A ALA 478.A N ALA 474.A O no hydrogen 2.867 N/A LEU 479.A N TRP 475.A O no hydrogen 2.895 N/A ASN 480.A N ILE 477.A O no hydrogen 3.103 N/A ALA 481.A N ALA 478.A O no hydrogen 3.229 N/A ALA 486.A N LEU 461.A O no hydrogen 2.910 N/A PHE 487.A N PHE 430.A O no hydrogen 2.776 N/A VAL 488.A N PHE 463.A O no hydrogen 2.711 N/A LEU 489.A N PHE 432.A O no hydrogen 2.820 N/A SER 490.A N THR 336.A OG1 no hydrogen 2.814 N/A SER 490.A OG THR 336.A OG1 no hydrogen 3.365 N/A SER 490.A OG GLN 492.A O no hydrogen 2.738 N/A GLN 492.A N GLN 492.A OE1 no hydrogen 2.770 N/A LEU 494.A N LEU 334.A O no hydrogen 2.990 N/A ALA 496.A N ASP 333.A OD1 no hydrogen 2.990 N/A LEU 497.A N ASP 467.A OD2 no hydrogen 3.023 N/A VAL 501.A N LEU 511.A O no hydrogen 2.851 N/A ASP 504.A N ASN 507.A OD1 no hydrogen 3.002 N/A VAL 505.A N ASP 504.A OD1 no hydrogen 2.831 N/A LYS 506.A NZ ASN 507.A OD1 no hydrogen 3.195 N/A ASN 507.A N ASP 504.A O no hydrogen 2.932 N/A GLY 508.A N VAL 505.A O no hydrogen 2.833 N/A TYR 510.A N SER 550.A O no hydrogen 2.824 N/A TYR 510.A OH GLU 470.A OE2 no hydrogen 2.556 N/A LEU 511.A N PHE 502.A O no hydrogen 2.882 N/A LEU 512.A N VAL 548.A O no hydrogen 2.858 N/A LYS 513.A N VAL 548.A O no hydrogen 3.303 N/A SER 515.A N ASN 547.A OD1 no hydrogen 2.924 N/A SER 515.A OG GLU 540.A OE2 no hydrogen 2.779 N/A SER 515.A OG CYS 546.A O no hydrogen 2.788 N/A LYS 519.A N ALA 545.A O no hydrogen 2.889 N/A PHE 520.A N ALA 545.A O no hydrogen 3.435 N/A THR 521.A N GLU 571.A O no hydrogen 2.994 N/A THR 521.A OG1 LEU 567.A O no hydrogen 3.414 N/A THR 521.A OG1 LYS 569.A O no hydrogen 2.661 N/A LEU 522.A N ASN 547.A O no hydrogen 2.932 N/A LEU 523.A N ILE 573.A O no hydrogen 2.892 N/A ALA 524.A N VAL 549.A O no hydrogen 3.011 N/A SER 525.A OG GLU 576.A OE2 no hydrogen 2.604 N/A SER 527.A OG GLU 528.A OE1 no hydrogen 3.424 N/A SER 527.A OG GLU 528.A OE2 no hydrogen 2.698 N/A GLU 528.A N SER 525.A O no hydrogen 3.107 N/A VAL 529.A N GLY 526.A O no hydrogen 3.245 N/A CYS 532.A N GLU 528.A O no hydrogen 3.186 N/A CYS 532.A SG GLU 528.A O no hydrogen 3.561 N/A LEU 533.A N VAL 529.A O no hydrogen 2.846 N/A GLU 534.A N TRP 530.A O no hydrogen 2.919 N/A SER 535.A N LEU 531.A O no hydrogen 2.793 N/A SER 535.A OG LEU 531.A O no hydrogen 2.786 N/A ALA 536.A N CYS 532.A O no hydrogen 2.859 N/A ASN 537.A N LEU 533.A O no hydrogen 3.006 N/A GLU 538.A N GLU 534.A O no hydrogen 3.036 N/A LEU 539.A N SER 535.A O no hydrogen 2.809 N/A GLU 540.A N ALA 536.A O no hydrogen 2.896 N/A LYS 541.A N ASN 537.A O no hydrogen 2.996 N/A GLN 542.A N GLU 538.A O no hydrogen 2.946 N/A GLN 542.A NE2 GLU 538.A OE2 no hydrogen 2.744 N/A GLY 543.A N GLU 540.A O no hydrogen 3.071 N/A PHE 544.A N LEU 539.A O no hydrogen 2.732 N/A CYS 546.A N GLU 540.A OE2 no hydrogen 2.988 N/A CYS 546.A SG PHE 544.A O no hydrogen 3.584 N/A ASN 547.A N PHE 520.A O no hydrogen 2.932 N/A ASN 547.A ND2 LEU 567.A O no hydrogen 3.206 N/A VAL 548.A N LYS 513.A O no hydrogen 3.009 N/A VAL 549.A N LEU 522.A O no hydrogen 2.852 N/A SER 550.A N TYR 510.A O no hydrogen 2.987 N/A SER 550.A OG GLU 470.A OE2 no hydrogen 2.648 N/A CYS 552.A N GLY 508.A O no hydrogen 3.045 N/A CYS 552.A SG THR 462.A O no hydrogen 3.818 N/A CYS 552.A SG GLU 554.A OE1 no hydrogen 3.357 N/A GLU 554.A N GLU 554.A OE1 no hydrogen 2.870 N/A PHE 556.A N CYS 552.A O no hydrogen 3.145 N/A GLU 557.A N PHE 553.A O no hydrogen 2.976 N/A LYS 558.A N LEU 555.A O no hydrogen 3.009 N/A GLN 559.A N PHE 556.A O no hydrogen 3.108 N/A TYR 563.A N ASP 560.A OD1 no hydrogen 3.207 N/A TYR 563.A OH ALA 509.A O no hydrogen 2.602 N/A GLN 564.A N ASP 560.A O no hydrogen 3.065 N/A GLN 564.A NE2 PHE 556.A O no hydrogen 3.027 N/A GLU 565.A N LYS 561.A O no hydrogen 2.728 N/A ARG 566.A N ALA 562.A O no hydrogen 3.163 N/A ARG 566.A NE GLU 514.A OE2 no hydrogen 2.829 N/A ARG 566.A NH2 GLU 514.A OE1 no hydrogen 2.938 N/A ARG 566.A NH2 GLU 514.A OE2 no hydrogen 3.403 N/A LEU 567.A N TYR 563.A O no hydrogen 3.236 N/A LEU 568.A N GLN 564.A O no hydrogen 2.954 N/A LYS 569.A N THR 521.A OG1 no hydrogen 2.964 N/A LYS 569.A NZ GLU 565.A O no hydrogen 3.302 N/A GLU 571.A N LYS 519.A O no hydrogen 2.988 N/A ILE 573.A N THR 521.A O no hydrogen 2.819 N/A GLY 574.A N LYS 589.A O no hydrogen 2.811 N/A VAL 575.A N LEU 523.A O no hydrogen 2.932 N/A GLU 576.A N TYR 591.A O no hydrogen 3.212 N/A ALA 577.A N GLU 528.A OE1 no hydrogen 2.873 N/A ALA 578.A N GLU 576.A O no hydrogen 2.837 N/A HIS 579.A N ILE 449.A O no hydrogen 2.924 N/A SER 580.A OG GLU 576.A OE1 no hydrogen 2.686 N/A GLU 582.A N GLU 582.A OE1 no hydrogen 2.909 N/A LEU 583.A N SER 580.A O no hydrogen 3.038 N/A TYR 584.A N ASN 581.A O no hydrogen 3.088 N/A LYS 585.A N GLU 582.A O no hydrogen 3.028 N/A LYS 585.A NZ GLU 557.A OE2 no hydrogen 2.722 N/A PHE 586.A N LEU 583.A O no hydrogen 2.985 N/A CYS 587.A N LEU 583.A O no hydrogen 2.921 N/A CYS 587.A SG LEU 583.A O no hydrogen 3.430 N/A HIS 588.A N VAL 572.A O no hydrogen 2.711 N/A LYS 589.A N VAL 572.A O no hydrogen 3.164 N/A TYR 591.A N GLY 574.A O no hydrogen 2.716 N/A TYR 591.A OH GLY 610.A O no hydrogen 2.624 N/A ILE 593.A N ALA 578.A O no hydrogen 3.054 N/A SER 595.A OG PHE 596.A O no hydrogen 2.852 N/A GLU 598.A N GLN 447.A OE1 no hydrogen 2.994 N/A SER 599.A OG GLU 441.A O no hydrogen 2.686 N/A GLY 600.A N GLY 440.A O no hydrogen 3.512 N/A LYS 603.A N ASP 602.A OD1 no hydrogen 2.663 N/A VAL 605.A N LYS 601.A O no hydrogen 2.888 N/A PHE 606.A N ASP 602.A O no hydrogen 2.958 N/A GLU 607.A N LYS 603.A O no hydrogen 3.104 N/A ARG 608.A N ASP 604.A O no hydrogen 2.972 N/A ARG 608.A NH1 ARG 608.A O no hydrogen 3.180 N/A PHE 609.A N VAL 605.A O no hydrogen 3.095 N/A GLY 610.A N GLU 607.A O no hydrogen 3.040 N/A PHE 611.A N PHE 606.A O no hydrogen 2.879 N/A SER 612.A N GLY 610.A O no hydrogen 3.011 N/A LYS 615.A N SER 612.A OG no hydrogen 3.206 N/A LYS 615.A NZ GLU 607.A O no hydrogen 3.000 N/A LYS 615.A NZ GLU 607.A OE2 no hydrogen 3.013 N/A LEU 616.A N SER 612.A O no hydrogen 3.034 N/A VAL 617.A N VAL 613.A O no hydrogen 2.971 N/A ASN 618.A N SER 614.A O no hydrogen 3.065 N/A PHE 619.A N LYS 615.A O no hydrogen 3.026 N/A ILE 620.A N LEU 616.A O no hydrogen 2.915 N/A LEU 621.A N VAL 617.A O no hydrogen 2.928 N/A SER 622.A N PHE 619.A O no hydrogen 3.038 N/A SER 622.A OG LEU 621.A O no hydrogen 2.671 N/A LYS 623.A N ASN 618.A O no hydrogen 2.961 N/A