Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ctp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 2.A OD1 no hydrogen 2.810 N/A SER 5.A OG ASP 2.A O no hydrogen 3.134 N/A THR 6.A N ASP 2.A O no hydrogen 3.054 N/A THR 6.A OG1 GLY 1.A O no hydrogen 3.233 N/A THR 6.A OG1 ASP 2.A O no hydrogen 2.679 N/A HIS 7.A N VAL 3.A O no hydrogen 3.045 N/A LEU 8.A N LEU 4.A O no hydrogen 2.857 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 2.892 N/A ARG 13.A N ASP 9.A O no hydrogen 2.885 N/A ARG 13.A NE LEU 8.A O no hydrogen 3.007 N/A GLN 14.A N ASP 10.A O no hydrogen 2.901 N/A HIS 15.A N ALA 11.A O no hydrogen 3.037 N/A ILE 16.A N ARG 12.A O no hydrogen 2.947 N/A ALA 17.A N ARG 13.A O no hydrogen 2.901 N/A GLU 18.A N GLN 14.A O no hydrogen 2.937 N/A LYS 19.A N HIS 15.A O no hydrogen 3.013 N/A LYS 19.A NZ GLU 241.A OE1 no hydrogen 2.710 N/A THR 20.A N ILE 16.A O no hydrogen 2.805 N/A THR 20.A OG1 ILE 16.A O no hydrogen 2.825 N/A GLY 21.A N ALA 17.A O no hydrogen 2.835 N/A LYS 22.A N GLU 18.A O no hydrogen 3.102 N/A ILE 23.A N LYS 19.A O no hydrogen 3.142 N/A LEU 24.A N THR 20.A O no hydrogen 2.877 N/A THR 25.A N GLY 21.A O no hydrogen 2.931 N/A THR 25.A OG1 GLY 21.A O no hydrogen 3.028 N/A GLU 26.A N LYS 22.A O no hydrogen 3.145 N/A PHE 27.A N ILE 23.A O no hydrogen 2.900 N/A LEU 28.A N LEU 24.A O no hydrogen 2.797 N/A GLN 29.A N THR 25.A O no hydrogen 3.120 N/A PHE 30.A N GLU 26.A O no hydrogen 3.330 N/A TYR 31.A N PHE 27.A O no hydrogen 2.893 N/A GLU 32.A N LEU 28.A O no hydrogen 2.861 N/A ASP 33.A N GLN 29.A O no hydrogen 3.072 N/A GLN 34.A N PHE 30.A O no hydrogen 2.864 N/A GLN 34.A NE2 ASN 528.A OD1 no hydrogen 2.889 N/A TYR 35.A N TYR 31.A O no hydrogen 2.890 N/A TYR 35.A OH GLN 291.A OE1 no hydrogen 2.553 N/A ALA 38.A N GLN 34.A O no hydrogen 2.936 N/A LEU 39.A N TYR 35.A O no hydrogen 2.939 N/A PHE 40.A N GLY 36.A O no hydrogen 2.921 N/A ASN 41.A N VAL 37.A O no hydrogen 2.909 N/A SER 42.A N ALA 38.A O no hydrogen 3.049 N/A MET 43.A N LEU 39.A O no hydrogen 2.906 N/A ARG 44.A N PHE 40.A O no hydrogen 2.798 N/A ARG 44.A NE GLU 48.A OE2 no hydrogen 3.338 N/A HIS 45.A N ASN 41.A O no hydrogen 3.122 N/A HIS 45.A ND1 THR 50.A OG1 no hydrogen 3.035 N/A GLU 46.A N SER 42.A O no hydrogen 3.063 N/A ILE 47.A N MET 43.A O no hydrogen 2.870 N/A GLU 48.A N ARG 44.A O no hydrogen 2.923 N/A GLY 49.A N GLU 46.A O no hydrogen 3.134 N/A THR 50.A N HIS 45.A O no hydrogen 2.865 N/A THR 50.A OG1 HIS 45.A ND1 no hydrogen 3.035 N/A GLN 56.A N ASP 476.A OD1 no hydrogen 2.926 N/A LEU 57.A N ASP 476.A OD2 no hydrogen 2.785 N/A LEU 58.A N THR 440.A OG1 no hydrogen 2.750 N/A ARG 60.A NE ASP 435.A OD1 no hydrogen 3.177 N/A ARG 60.A NE ASP 435.A OD2 no hydrogen 3.121 N/A ARG 60.A NH2 ASP 435.A OD1 no hydrogen 3.006 N/A ARG 67.A NH2 GLU 383.A OE1 no hydrogen 3.146 N/A VAL 69.A N VAL 91.A O no hydrogen 2.716 N/A GLY 72.A N SER 89.A O no hydrogen 3.003 N/A LEU 74.A N ARG 87.A O no hydrogen 2.886 N/A PHE 75.A N CYS 166.A O no hydrogen 3.156 N/A GLN 76.A N ARG 85.A O no hydrogen 2.888 N/A HIS 77.A N TYR 164.A O no hydrogen 2.904 N/A GLN 78.A N LYS 83.A O no hydrogen 2.960 N/A GLN 78.A NE2 GLN 76.A O no hydrogen 3.028 N/A GLN 78.A NE2 GLN 76.A OE1 no hydrogen 3.134 N/A SER 81.A OG ASP 80.A OD1 no hydrogen 2.997 N/A LYS 82.A N GLN 78.A O no hydrogen 2.843 N/A LYS 82.A NZ GLU 79.A O no hydrogen 2.676 N/A TRP 84.A NE1 LYS 146.A O no hydrogen 3.073 N/A ARG 85.A N GLN 76.A O no hydrogen 3.038 N/A ASN 86.A ND2 GLU 101.A O no hydrogen 3.623 N/A ARG 87.A N LEU 74.A O no hydrogen 2.670 N/A ARG 87.A NH1 ASN 86.A O no hydrogen 2.827 N/A PHE 88.A N TYR 100.A O no hydrogen 2.964 N/A SER 89.A N GLY 72.A O no hydrogen 2.882 N/A LEU 90.A N VAL 98.A O no hydrogen 2.729 N/A VAL 91.A N PHE 70.A O no hydrogen 2.787 N/A TYR 95.A N PRO 92.A O no hydrogen 2.965 N/A GLY 96.A N ASN 94.A OD1 no hydrogen 3.352 N/A LEU 97.A N ILE 116.A O no hydrogen 2.902 N/A VAL 98.A N LEU 90.A O no hydrogen 2.805 N/A LEU 99.A N ALA 114.A O no hydrogen 3.071 N/A TYR 100.A N PHE 88.A O no hydrogen 2.765 N/A ALA 105.A N ASN 102.A OD1 no hydrogen 2.765 N/A TYR 106.A N ASN 102.A O no hydrogen 3.149 N/A GLU 107.A N LYS 103.A O no hydrogen 2.908 N/A ARG 108.A N ALA 104.A O no hydrogen 3.196 N/A GLN 109.A N TYR 106.A O no hydrogen 3.060 N/A GLN 109.A NE2 GLU 107.A O no hydrogen 2.433 N/A VAL 110.A N ALA 105.A O no hydrogen 2.987 N/A ARG 113.A N LEU 99.A O no hydrogen 2.692 N/A ILE 116.A N LEU 97.A O no hydrogen 2.822 N/A ALA 119.A N ASN 117.A OD1 no hydrogen 2.968 N/A GLY 120.A N ASN 188.A OD1 no hydrogen 2.803 N/A TYR 121.A N SER 118.A O no hydrogen 3.123 N/A TYR 121.A OH ARG 161.A O no hydrogen 2.655 N/A LYS 122.A N TRP 156.A O no hydrogen 2.815 N/A LYS 122.A NZ GLU 220.A OE1 no hydrogen 3.190 N/A LEU 124.A N ILE 154.A O no hydrogen 2.873 N/A GLN 129.A N SER 126.A OG no hydrogen 2.995 N/A TYR 130.A N SER 126.A O no hydrogen 3.237 N/A TYR 130.A OH HIS 162.A ND1 no hydrogen 2.680 N/A LEU 131.A N VAL 127.A O no hydrogen 2.857 N/A GLU 132.A N ASP 128.A O no hydrogen 2.849 N/A LEU 133.A N GLN 129.A O no hydrogen 3.094 N/A ILE 134.A N TYR 130.A O no hydrogen 3.077 N/A GLY 135.A N GLU 132.A O no hydrogen 3.281 N/A SER 137.A N ILE 134.A O no hydrogen 3.107 N/A SER 137.A OG ILE 134.A O no hydrogen 2.725 N/A THR 141.A OG1 GLY 135.A O no hydrogen 3.263 N/A THR 141.A OG1 LEU 138.A O no hydrogen 2.843 N/A ALA 143.A N GLY 140.A O no hydrogen 3.185 N/A THR 149.A OG1 MET 167.A O no hydrogen 2.495 N/A GLN 150.A N GLN 150.A OE1 no hydrogen 2.958 N/A PHE 151.A N THR 149.A OG1 no hydrogen 3.176 N/A LEU 153.A N PHE 165.A O no hydrogen 2.901 N/A ILE 154.A N LEU 124.A O no hydrogen 2.875 N/A LEU 155.A N TYR 163.A O no hydrogen 2.843 N/A TRP 156.A N LYS 122.A O no hydrogen 2.938 N/A TYR 159.A N HIS 157.A ND1 no hydrogen 3.008 N/A ALA 160.A N HIS 157.A ND1 no hydrogen 2.994 N/A ARG 161.A N ASP 266.A OD1 no hydrogen 2.831 N/A ARG 161.A NE HIS 162.A O no hydrogen 2.868 N/A ARG 161.A NH1 HIS 162.A O no hydrogen 2.823 N/A HIS 162.A ND1 TYR 130.A OH no hydrogen 2.680 N/A HIS 162.A NE2 HIS 157.A O no hydrogen 2.962 N/A TYR 163.A N LEU 155.A O no hydrogen 2.993 N/A TYR 164.A OH TYR 130.A OH no hydrogen 2.631 N/A PHE 165.A N LEU 153.A O no hydrogen 2.911 N/A CYS 166.A N PHE 75.A O no hydrogen 3.002 N/A CYS 166.A SG THR 149.A OG1 no hydrogen 3.521 N/A MET 167.A N PHE 151.A O no hydrogen 2.854 N/A GLU 172.A N THR 169.A OG1 no hydrogen 3.014 N/A GLN 173.A N THR 169.A O no hydrogen 3.041 N/A GLN 173.A NE2 THR 125.A O no hydrogen 3.679 N/A GLN 173.A NE2 PRO 152.A O no hydrogen 2.797 N/A ASP 174.A N GLU 170.A O no hydrogen 2.909 N/A LYS 175.A N ALA 171.A O no hydrogen 3.111 N/A TRP 176.A N GLU 172.A O no hydrogen 2.913 N/A GLN 177.A N GLN 173.A O no hydrogen 2.852 N/A ALA 178.A N ASP 174.A O no hydrogen 3.196 N/A VAL 179.A N LYS 175.A O no hydrogen 3.002 N/A LEU 180.A N TRP 176.A O no hydrogen 2.842 N/A GLN 181.A N GLN 177.A O no hydrogen 2.902 N/A ASP 182.A N ALA 178.A O no hydrogen 2.973 N/A CYS 183.A N VAL 179.A O no hydrogen 2.907 N/A CYS 183.A SG TYR 95.A O no hydrogen 3.531 N/A CYS 183.A SG VAL 179.A O no hydrogen 3.427 N/A ILE 184.A N LEU 180.A O no hydrogen 2.917 N/A ARG 185.A N GLN 181.A O no hydrogen 2.997 N/A ARG 185.A NE GLN 427.A OE1 no hydrogen 2.896 N/A ARG 185.A NH1 GLN 427.A OE1 no hydrogen 3.263 N/A ARG 185.A NH2 ASP 182.A OD1 no hydrogen 2.897 N/A HIS 186.A N ASP 182.A O no hydrogen 2.914 N/A CYS 187.A N CYS 183.A O no hydrogen 2.898 N/A CYS 187.A SG TYR 95.A O no hydrogen 3.759 N/A CYS 187.A SG CYS 183.A O no hydrogen 3.365 N/A ASN 188.A N ILE 184.A O no hydrogen 2.815 N/A ASN 188.A ND2 GLN 424.A OE1 no hydrogen 3.149 N/A ASN 189.A N ARG 185.A O no hydrogen 3.281 N/A ASN 189.A N HIS 186.A O no hydrogen 3.184 N/A SER 195.A N PRO 192.A O no hydrogen 3.024 N/A LYS 196.A NZ GLU 46.A OE2 no hydrogen 2.691 N/A GLY 199.A N SER 195.A OG no hydrogen 2.768 N/A ALA 201.A N VAL 197.A O no hydrogen 2.982 N/A PHE 202.A N GLU 198.A O no hydrogen 2.963 N/A THR 203.A N GLY 199.A O no hydrogen 2.953 N/A THR 203.A OG1 GLY 199.A O no hydrogen 3.195 N/A THR 203.A OG1 PRO 200.A O no hydrogen 3.530 N/A ASP 204.A N PRO 200.A O no hydrogen 2.929 N/A ALA 205.A N ALA 201.A O no hydrogen 2.954 N/A ILE 206.A N PHE 202.A O no hydrogen 2.921 N/A ARG 207.A N THR 203.A O no hydrogen 3.070 N/A ARG 207.A NH1 GLN 211.A OE1 no hydrogen 2.926 N/A ARG 207.A NH1 GLU 531.A OE1 no hydrogen 2.689 N/A ARG 207.A NH1 GLU 531.A OE2 no hydrogen 3.196 N/A ARG 207.A NH2 ASP 204.A OD1 no hydrogen 3.281 N/A MET 208.A N ASP 204.A O no hydrogen 2.891 N/A TYR 209.A N ALA 205.A O no hydrogen 2.915 N/A TYR 209.A OH GLU 237.A OE1 no hydrogen 2.511 N/A TYR 209.A OH GLU 237.A OE2 no hydrogen 3.311 N/A ARG 210.A N ILE 206.A O no hydrogen 2.988 N/A ARG 210.A NE GLU 236.A OE1 no hydrogen 3.201 N/A ARG 210.A NH1 GLU 236.A OE2 no hydrogen 3.014 N/A GLN 211.A N ARG 207.A O no hydrogen 2.825 N/A GLN 211.A NE2 GLU 531.A OE2 no hydrogen 3.109 N/A SER 212.A N MET 208.A O no hydrogen 3.030 N/A SER 212.A OG TYR 209.A O no hydrogen 2.690 N/A LYS 213.A N TYR 209.A O no hydrogen 3.293 N/A LYS 213.A N ARG 210.A O no hydrogen 2.953 N/A LYS 213.A NZ GLU 26.A OE1 no hydrogen 3.156 N/A LYS 213.A NZ GLU 26.A OE2 no hydrogen 2.815 N/A GLU 214.A N GLN 211.A O no hydrogen 2.945 N/A LEU 215.A N ARG 210.A O no hydrogen 2.891 N/A LEU 222.A N TRP 219.A O no hydrogen 3.154 N/A CYS 223.A SG GLU 220.A O no hydrogen 3.679 N/A GLY 224.A N ASN 188.A O no hydrogen 2.895 N/A ASN 225.A N GLN 228.A OE1 no hydrogen 2.940 N/A GLU 226.A N GLU 226.A OE2 no hydrogen 2.686 N/A GLN 228.A N ASN 225.A OD1 no hydrogen 2.953 N/A GLN 228.A NE2 ASN 117.A OD1 no hydrogen 2.892 N/A ILE 229.A N ASN 225.A O no hydrogen 2.977 N/A LEU 230.A N GLU 226.A O no hydrogen 2.916 N/A SER 231.A N VAL 227.A O no hydrogen 2.877 N/A SER 231.A OG VAL 227.A O no hydrogen 2.751 N/A ASN 232.A N GLN 228.A O no hydrogen 2.869 N/A ASN 232.A ND2 MET 221.A O no hydrogen 2.971 N/A LEU 233.A N ILE 229.A O no hydrogen 2.836 N/A VAL 234.A N LEU 230.A O no hydrogen 3.005 N/A MET 235.A N SER 231.A O no hydrogen 2.923 N/A GLU 236.A N ASN 232.A O no hydrogen 2.902 N/A GLU 237.A N LEU 233.A O no hydrogen 3.240 N/A LEU 238.A N VAL 234.A O no hydrogen 2.853 N/A GLY 239.A N MET 235.A O no hydrogen 2.812 N/A LEU 242.A N LEU 238.A O no hydrogen 3.117 N/A LYS 243.A N GLY 239.A O no hydrogen 2.756 N/A LYS 243.A NZ SER 137.A O no hydrogen 2.802 N/A ALA 244.A N PRO 240.A O no hydrogen 2.831 N/A GLU 245.A N GLU 241.A O no hydrogen 2.959 N/A LEU 246.A N LEU 242.A O no hydrogen 2.897 N/A GLY 247.A N LYS 243.A O no hydrogen 2.828 N/A ARG 249.A N LEU 246.A O no hydrogen 2.841 N/A ARG 249.A NE GLU 245.A O no hydrogen 3.079 N/A LEU 250.A N GLY 247.A O no hydrogen 3.034 N/A ARG 257.A N LYS 253.A O no hydrogen 2.899 N/A ARG 257.A NE LEU 250.A O no hydrogen 3.328 N/A ARG 257.A NH1 GLY 247.A O no hydrogen 3.057 N/A GLN 258.A N PRO 254.A O no hydrogen 2.975 N/A ARG 259.A N GLN 255.A O no hydrogen 3.032 N/A GLN 260.A N GLU 256.A O no hydrogen 3.034 N/A TRP 261.A N ARG 257.A O no hydrogen 3.042 N/A ILE 262.A N GLN 258.A O no hydrogen 3.121 N/A GLN 263.A N ARG 259.A O no hydrogen 3.097 N/A ILE 264.A N GLN 260.A O no hydrogen 2.981 N/A SER 265.A N TRP 261.A O no hydrogen 2.771 N/A SER 265.A OG TYR 159.A O no hydrogen 2.809 N/A ASP 266.A N ILE 262.A O no hydrogen 3.028 N/A ALA 267.A N GLN 263.A O no hydrogen 3.204 N/A VAL 268.A N ILE 264.A O no hydrogen 2.973 N/A TYR 269.A N SER 265.A O no hydrogen 2.776 N/A HIS 270.A N ASP 266.A O no hydrogen 3.015 N/A MET 271.A N ALA 267.A O no hydrogen 3.180 N/A VAL 272.A N VAL 268.A O no hydrogen 2.851 N/A TYR 273.A N TYR 269.A O no hydrogen 2.836 N/A GLU 274.A N HIS 270.A O no hydrogen 3.090 N/A GLN 275.A N MET 271.A O no hydrogen 3.126 N/A GLN 275.A NE2 ALA 17.A O no hydrogen 2.898 N/A ALA 276.A N VAL 272.A O no hydrogen 2.775 N/A LYS 277.A N TYR 273.A O no hydrogen 2.883 N/A ALA 278.A N GLU 274.A O no hydrogen 3.153 N/A ARG 279.A N GLN 275.A O no hydrogen 3.027 N/A ARG 279.A NH1 GLY 21.A O no hydrogen 3.329 N/A ARG 279.A NH2 THR 25.A OG1 no hydrogen 2.994 N/A PHE 280.A N ALA 276.A O no hydrogen 2.821 N/A GLU 281.A N LYS 277.A O no hydrogen 2.985 N/A GLU 282.A N ALA 278.A O no hydrogen 3.168 N/A VAL 283.A N ARG 279.A O no hydrogen 3.283 N/A LEU 284.A N PHE 280.A O no hydrogen 2.836 N/A SER 285.A N GLU 281.A O no hydrogen 3.066 N/A LYS 286.A N GLU 282.A O no hydrogen 3.105 N/A LYS 286.A NZ GLU 32.A OE1 no hydrogen 3.285 N/A LYS 286.A NZ GLU 32.A OE2 no hydrogen 2.771 N/A VAL 287.A N VAL 283.A O no hydrogen 2.832 N/A GLN 288.A N LEU 284.A O no hydrogen 2.981 N/A GLN 288.A NE2 GLU 198.A OE2 no hydrogen 2.847 N/A GLN 289.A N SER 285.A O no hydrogen 3.156 N/A GLN 291.A NE2 GLN 295.A OE1 no hydrogen 2.910 N/A MET 294.A N VAL 290.A O no hydrogen 3.071 N/A GLN 295.A N GLN 291.A O no hydrogen 2.844 N/A ALA 296.A N PRO 292.A O no hydrogen 3.068 N/A VAL 297.A N ALA 293.A O no hydrogen 3.257 N/A ILE 298.A N MET 294.A O no hydrogen 2.936 N/A ARG 299.A N GLN 295.A O no hydrogen 2.870 N/A THR 300.A N ALA 296.A O no hydrogen 3.016 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.887 N/A ASP 301.A N VAL 297.A O no hydrogen 2.816 N/A ILE 305.A N ASP 301.A O no hydrogen 2.900 N/A ILE 306.A N MET 302.A O no hydrogen 2.973 N/A THR 307.A N ASP 303.A O no hydrogen 3.041 N/A THR 307.A OG1 ASP 303.A O no hydrogen 2.991 N/A SER 308.A N GLN 304.A O no hydrogen 2.928 N/A LYS 309.A N ILE 305.A O no hydrogen 2.808 N/A LYS 309.A NZ PHE 523.A O no hydrogen 2.915 N/A GLU 310.A N ILE 306.A O no hydrogen 2.891 N/A HIS 311.A N THR 307.A O no hydrogen 2.958 N/A LEU 312.A N SER 308.A O no hydrogen 3.027 N/A ALA 313.A N LYS 309.A O no hydrogen 2.890 N/A SER 314.A N GLU 310.A O no hydrogen 2.940 N/A SER 314.A OG HIS 311.A O no hydrogen 2.586 N/A LYS 315.A N HIS 311.A O no hydrogen 3.277 N/A ILE 316.A N LEU 312.A O no hydrogen 3.012 N/A ARG 317.A N ALA 313.A O no hydrogen 2.761 N/A ARG 317.A NH1 GLU 310.A OE1 no hydrogen 3.102 N/A ARG 317.A NH2 GLU 310.A OE1 no hydrogen 3.108 N/A ARG 317.A NH2 GLU 310.A OE2 no hydrogen 2.914 N/A ALA 318.A N SER 314.A O no hydrogen 3.086 N/A PHE 319.A N ILE 316.A O no hydrogen 2.962 N/A ILE 320.A N ILE 316.A O no hydrogen 2.911 N/A LEU 321.A N ARG 317.A O no hydrogen 2.825 N/A ALA 324.A N ILE 320.A O no hydrogen 2.940 N/A GLU 325.A N LEU 321.A O no hydrogen 2.884 N/A VAL 326.A N PRO 322.A O no hydrogen 3.142 N/A CYS 327.A N LYS 323.A O no hydrogen 3.049 N/A VAL 328.A N ALA 324.A O no hydrogen 2.934 N/A ARG 329.A N GLU 325.A O no hydrogen 2.932 N/A ASN 330.A N VAL 326.A O no hydrogen 2.939 N/A HIS 331.A N CYS 327.A O no hydrogen 2.875 N/A VAL 332.A N VAL 328.A O no hydrogen 3.083 N/A GLN 333.A N VAL 328.A O no hydrogen 2.763 N/A TYR 335.A N VAL 332.A O no hydrogen 2.910 N/A ILE 339.A N TYR 335.A O no hydrogen 3.143 N/A LEU 340.A N ILE 336.A O no hydrogen 2.940 N/A GLU 341.A N PRO 337.A O no hydrogen 2.899 N/A ALA 342.A N SER 338.A O no hydrogen 3.021 N/A LEU 343.A N ILE 339.A O no hydrogen 3.134 N/A MET 344.A N LEU 340.A O no hydrogen 2.804 N/A VAL 345.A N GLU 341.A O no hydrogen 3.385 N/A THR 347.A N LEU 343.A O no hydrogen 3.413 N/A THR 347.A OG1 LEU 343.A O no hydrogen 2.656 N/A SER 348.A N MET 344.A O no hydrogen 2.835 N/A SER 348.A OG MET 344.A O no hydrogen 2.960 N/A GLN 349.A N VAL 345.A O no hydrogen 3.040 N/A GLY 350.A N PRO 346.A O no hydrogen 2.894 N/A PHE 351.A N THR 347.A O no hydrogen 3.032 N/A THR 352.A N SER 348.A O no hydrogen 2.972 N/A THR 352.A OG1 SER 348.A O no hydrogen 3.089 N/A GLU 353.A N GLN 349.A O no hydrogen 2.871 N/A VAL 354.A N GLY 350.A O no hydrogen 2.955 N/A ARG 355.A N PHE 351.A O no hydrogen 3.121 N/A ARG 355.A NE ASP 474.A OD1 no hydrogen 2.788 N/A ARG 355.A NE ASP 474.A OD2 no hydrogen 3.453 N/A ARG 355.A NH2 ASP 474.A OD2 no hydrogen 2.891 N/A ASP 356.A N THR 352.A O no hydrogen 2.898 N/A VAL 357.A N GLU 353.A O no hydrogen 2.833 N/A PHE 358.A N VAL 354.A O no hydrogen 2.881 N/A PHE 359.A N ARG 355.A O no hydrogen 2.874 N/A LYS 360.A N ASP 356.A O no hydrogen 2.983 N/A LYS 360.A NZ ASP 364.A OD2 no hydrogen 3.019 N/A GLU 361.A N VAL 357.A O no hydrogen 3.004 N/A VAL 362.A N PHE 358.A O no hydrogen 3.003 N/A THR 363.A N PHE 359.A O no hydrogen 3.006 N/A THR 363.A OG1 PHE 359.A O no hydrogen 2.686 N/A ASP 364.A N LYS 360.A O no hydrogen 2.785 N/A MET 365.A N GLU 361.A O no hydrogen 3.001 N/A ASN 366.A N VAL 362.A O no hydrogen 2.846 N/A ASN 366.A ND2 CYS 459.A O no hydrogen 3.693 N/A LEU 367.A N THR 363.A O no hydrogen 2.804 N/A ASN 368.A N ASP 364.A O no hydrogen 3.225 N/A VAL 369.A N MET 365.A O no hydrogen 3.129 N/A ILE 370.A N ASN 366.A O no hydrogen 3.117 N/A ASN 371.A N LEU 367.A O no hydrogen 3.004 N/A GLU 372.A N ASN 368.A O no hydrogen 2.944 N/A GLY 373.A N ILE 370.A O no hydrogen 3.140 N/A GLY 374.A N VAL 369.A O no hydrogen 3.240 N/A LEU 378.A N ILE 375.A O no hydrogen 3.100 N/A TYR 381.A N LYS 377.A O no hydrogen 3.182 N/A MET 382.A N LEU 378.A O no hydrogen 2.702 N/A GLU 383.A N GLY 379.A O no hydrogen 3.036 N/A LEU 385.A N TYR 381.A O no hydrogen 3.012 N/A SER 386.A N MET 382.A O no hydrogen 2.816 N/A SER 386.A OG GLU 383.A O no hydrogen 2.668 N/A ARG 387.A N LYS 384.A O no hydrogen 3.290 N/A ARG 387.A NE GLU 383.A OE2 no hydrogen 3.139 N/A ARG 387.A NH1 ASP 65.A O no hydrogen 3.351 N/A ARG 387.A NH2 ASP 65.A O no hydrogen 2.473 N/A LEU 388.A N LEU 385.A O no hydrogen 3.053 N/A TYR 390.A N ARG 387.A O no hydrogen 2.972 N/A HIS 391.A N LEU 388.A O no hydrogen 3.010 N/A LEU 393.A N HIS 391.A ND1 no hydrogen 3.197 N/A LYS 394.A N HIS 391.A ND1 no hydrogen 3.069 N/A LYS 394.A NZ GLU 361.A OE1 no hydrogen 2.874 N/A LYS 394.A NZ GLU 361.A OE2 no hydrogen 3.472 N/A MET 395.A N HIS 391.A O no hydrogen 3.431 N/A GLN 396.A N LEU 393.A O no hydrogen 2.966 N/A GLN 396.A NE2 ASP 182.A OD1 no hydrogen 3.149 N/A GLN 396.A NE2 PRO 392.A O no hydrogen 2.803 N/A SER 397.A OG GLU 353.A OE1 no hydrogen 2.710 N/A CYS 398.A N MET 395.A O no hydrogen 3.009 N/A TYR 399.A N MET 395.A O no hydrogen 3.161 N/A GLU 400.A N GLN 396.A O no hydrogen 2.868 N/A LYS 401.A N CYS 398.A O no hydrogen 3.119 N/A MET 402.A N TYR 399.A O no hydrogen 3.031 N/A GLU 403.A N GLU 400.A O no hydrogen 3.096 N/A SER 404.A OG LYS 401.A O no hydrogen 3.541 N/A LEU 405.A N MET 402.A O no hydrogen 2.932 N/A LEU 407.A N THR 419.A OG1 no hydrogen 3.096 N/A GLY 409.A N ARG 413.A O no hydrogen 2.683 N/A GLN 412.A N GLY 409.A O no hydrogen 3.097 N/A ASP 415.A N LEU 407.A O no hydrogen 2.805 N/A SER 418.A OG ASP 415.A OD2 no hydrogen 2.518 N/A THR 419.A N ASP 415.A O no hydrogen 3.249 N/A THR 419.A OG1 ASP 415.A O no hydrogen 3.000 N/A SER 420.A N VAL 416.A O no hydrogen 3.021 N/A SER 420.A OG GLU 220.A OE1 no hydrogen 2.997 N/A VAL 421.A N SER 417.A O no hydrogen 2.961 N/A PHE 422.A N SER 418.A O no hydrogen 2.930 N/A LYS 423.A N THR 419.A O no hydrogen 2.990 N/A GLN 424.A N SER 420.A O no hydrogen 3.153 N/A GLN 424.A NE2 ARG 185.A O no hydrogen 2.934 N/A ARG 425.A N VAL 421.A O no hydrogen 2.941 N/A ARG 425.A NH2 GLN 491.A OE1 no hydrogen 2.821 N/A ALA 426.A N PHE 422.A O no hydrogen 2.992 N/A GLN 427.A N LYS 423.A O no hydrogen 3.035 N/A GLN 427.A NE2 TYR 399.A O no hydrogen 2.975 N/A ILE 428.A N GLN 424.A O no hydrogen 3.038 N/A HIS 429.A N ARG 425.A O no hydrogen 3.047 N/A MET 430.A N ALA 426.A O no hydrogen 3.016 N/A ARG 431.A N GLN 427.A O no hydrogen 2.996 N/A ARG 431.A NH1 HIS 186.A ND1 no hydrogen 2.964 N/A ARG 431.A NH2 HIS 186.A ND1 no hydrogen 3.471 N/A GLU 432.A N ILE 428.A O no hydrogen 2.952 N/A GLN 433.A N HIS 429.A O no hydrogen 2.894 N/A MET 434.A N MET 430.A O no hydrogen 2.973 N/A ASP 435.A N ARG 431.A O no hydrogen 2.933 N/A ASN 436.A N GLU 432.A O no hydrogen 2.846 N/A ALA 437.A N GLN 433.A O no hydrogen 2.983 N/A VAL 438.A N MET 434.A O no hydrogen 3.038 N/A TYR 439.A N ASP 435.A O no hydrogen 2.898 N/A THR 440.A N ASN 436.A O no hydrogen 2.862 N/A THR 440.A OG1 LEU 58.A O no hydrogen 3.348 N/A THR 440.A OG1 ASN 436.A O no hydrogen 2.702 N/A PHE 441.A N ALA 437.A O no hydrogen 2.872 N/A GLU 442.A N VAL 438.A O no hydrogen 2.921 N/A THR 443.A N TYR 439.A O no hydrogen 2.951 N/A THR 443.A OG1 TYR 439.A O no hydrogen 2.824 N/A LEU 444.A N THR 440.A O no hydrogen 2.843 N/A LEU 445.A N PHE 441.A O no hydrogen 2.857 N/A HIS 446.A N GLU 442.A O no hydrogen 3.004 N/A GLN 447.A N THR 443.A O no hydrogen 3.161 N/A GLU 448.A N LEU 444.A O no hydrogen 2.904 N/A LEU 449.A N LEU 445.A O no hydrogen 2.838 N/A GLY 450.A N GLN 447.A O no hydrogen 3.117 N/A LYS 451.A N GLU 448.A O no hydrogen 3.023 N/A GLY 452.A N LEU 449.A O no hydrogen 3.101 N/A GLU 457.A N GLU 457.A OE2 no hydrogen 2.672 N/A LYS 460.A N GLU 457.A O no hydrogen 3.068 N/A SER 461.A OG LEU 458.A O no hydrogen 2.992 N/A ILE 462.A N LEU 458.A O no hydrogen 2.896 N/A GLN 463.A N CYS 459.A O no hydrogen 3.211 N/A ARG 464.A N LYS 460.A O no hydrogen 2.934 N/A ARG 464.A NH1 GLU 448.A OE1 no hydrogen 2.327 N/A VAL 465.A N SER 461.A O no hydrogen 2.723 N/A LEU 466.A N ILE 462.A O no hydrogen 2.797 N/A GLU 467.A N GLN 463.A O no hydrogen 2.988 N/A ARG 468.A N ARG 464.A O no hydrogen 3.044 N/A VAL 469.A N VAL 465.A O no hydrogen 2.933 N/A LEU 470.A N LEU 466.A O no hydrogen 2.875 N/A LYS 471.A N GLU 467.A O no hydrogen 3.247 N/A LYS 472.A N ARG 468.A O no hydrogen 3.195 N/A TYR 473.A N VAL 469.A O no hydrogen 2.720 N/A TYR 473.A OH PHE 351.A O no hydrogen 2.675 N/A ASP 474.A N LEU 470.A O no hydrogen 2.906 N/A TYR 475.A N LYS 471.A O no hydrogen 3.174 N/A ASP 476.A N LYS 472.A O no hydrogen 3.001 N/A SER 477.A N TYR 473.A O no hydrogen 2.769 N/A SER 478.A N ASP 474.A O no hydrogen 3.325 N/A SER 478.A OG GLN 552.A O no hydrogen 2.909 N/A SER 479.A N TYR 475.A O no hydrogen 3.085 N/A SER 479.A OG TYR 475.A O no hydrogen 3.331 N/A VAL 480.A N ASP 476.A O no hydrogen 2.763 N/A ARG 481.A N SER 477.A O no hydrogen 2.870 N/A ARG 481.A NE SER 477.A O no hydrogen 3.270 N/A ARG 481.A NE SER 477.A OG no hydrogen 2.969 N/A ARG 481.A NH2 SER 477.A OG no hydrogen 3.135 N/A LYS 482.A N SER 478.A O no hydrogen 2.970 N/A ARG 483.A N SER 479.A O no hydrogen 3.155 N/A PHE 484.A N VAL 480.A O no hydrogen 2.937 N/A PHE 485.A N ARG 481.A O no hydrogen 2.832 N/A ARG 486.A N LYS 482.A O no hydrogen 2.986 N/A GLU 487.A N ARG 483.A O no hydrogen 2.888 N/A ALA 488.A N PHE 484.A O no hydrogen 2.902 N/A LEU 489.A N PHE 485.A O no hydrogen 2.965 N/A LEU 490.A N ARG 486.A O no hydrogen 3.002 N/A GLN 491.A N GLU 487.A O no hydrogen 2.887 N/A ILE 492.A N ALA 488.A O no hydrogen 3.012 N/A SER 493.A N LEU 489.A O no hydrogen 2.952 N/A SER 493.A OG LEU 489.A O no hydrogen 2.841 N/A ILE 494.A N LEU 490.A O no hydrogen 2.972 N/A LEU 497.A N SER 493.A O no hydrogen 3.040 N/A LEU 498.A N ILE 494.A O no hydrogen 2.836 N/A LYS 499.A N PRO 495.A O no hydrogen 3.047 N/A LYS 500.A N PHE 496.A O no hydrogen 3.045 N/A LEU 501.A N LEU 497.A O no hydrogen 2.819 N/A ALA 502.A N LYS 499.A O no hydrogen 3.215 N/A THR 504.A N LEU 501.A O no hydrogen 3.002 N/A CYS 505.A N LEU 501.A O no hydrogen 3.100 N/A CYS 505.A N ALA 502.A O no hydrogen 3.165 N/A CYS 505.A SG LEU 501.A O no hydrogen 3.650 N/A CYS 505.A SG TYR 530.A OH no hydrogen 3.231 N/A LYS 506.A N ALA 502.A O no hydrogen 2.944 N/A SER 507.A OG GLU 508.A OE2 no hydrogen 3.462 N/A GLU 508.A N CYS 505.A O no hydrogen 2.773 N/A LEU 509.A N CYS 505.A O no hydrogen 2.848 N/A ARG 511.A N GLU 508.A O no hydrogen 3.051 N/A ARG 511.A NH1 GLU 508.A OE1 no hydrogen 2.802 N/A PHE 512.A N LEU 509.A O no hydrogen 2.902 N/A GLN 513.A N PRO 510.A O no hydrogen 3.060 N/A LEU 515.A N PHE 512.A O no hydrogen 3.172 N/A ILE 516.A N GLN 513.A O no hydrogen 2.991 N/A PHE 520.A N PHE 517.A O no hydrogen 2.788 N/A ALA 521.A N GLU 518.A O no hydrogen 3.180 N/A ARG 522.A NH2 GLU 32.A O no hydrogen 2.939 N/A PHE 523.A N PHE 520.A O no hydrogen 2.909 N/A ILE 524.A N PHE 520.A O no hydrogen 3.060 N/A ASN 528.A ND2 GLN 34.A OE1 no hydrogen 2.880 N/A THR 529.A N LEU 525.A O no hydrogen 2.954 N/A THR 529.A OG1 LEU 525.A O no hydrogen 2.942 N/A TYR 530.A N VAL 526.A O no hydrogen 2.854 N/A GLU 531.A N GLU 527.A O no hydrogen 2.859 N/A GLU 532.A N ASN 528.A O no hydrogen 2.928 N/A VAL 533.A N THR 529.A O no hydrogen 2.934 N/A VAL 534.A N TYR 530.A O no hydrogen 2.983 N/A LEU 535.A N GLU 531.A O no hydrogen 2.856 N/A GLN 536.A N GLU 532.A O no hydrogen 3.083 N/A GLN 536.A N VAL 533.A O no hydrogen 3.220 N/A THR 537.A N VAL 534.A O no hydrogen 3.017 N/A THR 537.A OG1 VAL 534.A O no hydrogen 2.609 N/A VAL 538.A N LEU 535.A O no hydrogen 3.230 N/A MET 539.A N GLN 536.A O no hydrogen 3.406 N/A ILE 542.A N VAL 538.A O no hydrogen 2.937 N/A LEU 543.A N MET 539.A O no hydrogen 2.828 N/A GLN 544.A N LYS 540.A O no hydrogen 2.849 N/A ALA 545.A N ASP 541.A O no hydrogen 2.724 N/A VAL 546.A N ILE 542.A O no hydrogen 2.947 N/A LYS 547.A N LEU 543.A O no hydrogen 2.861 N/A GLU 548.A N GLN 544.A O no hydrogen 2.478 N/A ALA 549.A N ALA 545.A O no hydrogen 3.030 N/A ARG 553.A N ALA 550.A O no hydrogen 2.903 N/A