Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xpz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG GLU 447.A OE2 no hydrogen 2.785 N/A ILE 6.A N PRO 3.A O no hydrogen 2.911 N/A ARG 9.A N ILE 6.A O no hydrogen 3.027 N/A ARG 10.A N GLU 7.A O no hydrogen 2.946 N/A ARG 10.A NH1 ASP 428.A OD2 no hydrogen 3.147 N/A ARG 10.A NH2 GLU 7.A OE1 no hydrogen 3.400 N/A ARG 10.A NH2 ASP 428.A OD2 no hydrogen 3.507 N/A GLU 16.A N ASP 422.A OD2 no hydrogen 2.778 N/A ASP 18.A N TYR 25.A OH no hydrogen 2.877 N/A SER 20.A N ASP 18.A OD1 no hydrogen 2.866 N/A THR 21.A OG1 SER 23.A OG no hydrogen 2.756 N/A THR 21.A OG1 ASP 67.A OD1 no hydrogen 3.488 N/A THR 21.A OG1 ASP 67.A OD2 no hydrogen 2.638 N/A LEU 22.A N ASP 67.A OD1 no hydrogen 2.737 N/A SER 23.A N THR 21.A OG1 no hydrogen 3.112 N/A SER 23.A N ASP 67.A OD1 no hydrogen 3.283 N/A SER 23.A OG THR 21.A OG1 no hydrogen 2.756 N/A ASN 24.A N HIS 65.A O no hydrogen 3.084 N/A ASN 24.A ND2 GLU 63.A O no hydrogen 2.770 N/A ASP 27.A N ASN 24.A O no hydrogen 2.878 N/A ALA 29.A N LYS 55.A O no hydrogen 2.919 N/A LEU 31.A N GLN 53.A O no hydrogen 2.552 N/A HIS 32.A ND1 THR 163.A OG1 no hydrogen 2.650 N/A THR 33.A N THR 163.A O no hydrogen 3.179 N/A THR 33.A OG1 SER 162.A OG no hydrogen 2.379 N/A ASP 34.A N THR 51.A O no hydrogen 2.912 N/A LEU 35.A N THR 165.A O no hydrogen 3.034 N/A ASN 36.A N SER 49.A O no hydrogen 2.916 N/A LEU 37.A N SER 167.A O no hydrogen 2.757 N/A SER 38.A N SER 47.A O no hydrogen 2.817 N/A SER 38.A OG GLU 169.A OE1 no hydrogen 2.765 N/A VAL 39.A N GLU 169.A O no hydrogen 2.615 N/A SER 40.A N ALA 45.A O no hydrogen 3.117 N/A LYS 43.A N SER 40.A OG no hydrogen 3.343 N/A ALA 45.A N SER 40.A O no hydrogen 3.323 N/A ILE 46.A N THR 117.A OG1 no hydrogen 2.662 N/A SER 47.A N SER 38.A O no hydrogen 3.221 N/A GLY 48.A N PHE 115.A O no hydrogen 3.046 N/A SER 49.A N ASN 36.A O no hydrogen 3.074 N/A VAL 50.A N ILE 113.A O no hydrogen 2.744 N/A THR 51.A N ASP 34.A O no hydrogen 2.866 N/A PHE 52.A N LEU 111.A O no hydrogen 2.785 N/A GLN 53.A N HIS 32.A O no hydrogen 2.708 N/A LEU 54.A N PHE 109.A O no hydrogen 3.047 N/A LYS 55.A N ALA 29.A O no hydrogen 2.855 N/A LYS 56.A N ASP 107.A O no hydrogen 2.823 N/A LYS 56.A NZ ASN 102.A O no hydrogen 3.500 N/A LYS 56.A NZ CYS 105.A O no hydrogen 3.452 N/A LEU 57.A N ASP 27.A O no hydrogen 2.844 N/A HIS 58.A NE2 ASP 107.A OD1 no hydrogen 3.360 N/A HIS 65.A NE2 GLU 63.A OE2 no hydrogen 2.817 N/A LEU 66.A N LEU 98.A O no hydrogen 2.891 N/A ASP 67.A N CYS 154.A O no hydrogen 2.812 N/A THR 68.A N SER 96.A O no hydrogen 3.050 N/A THR 68.A OG1 SER 96.A O no hydrogen 3.265 N/A SER 69.A N ARG 149.A O no hydrogen 3.075 N/A ASP 72.A N ARG 116.A O no hydrogen 2.866 N/A GLN 74.A N GLN 114.A O no hydrogen 2.681 N/A GLU 75.A N GLN 114.A O no hydrogen 3.479 N/A HIS 77.A N ASN 112.A O no hydrogen 2.859 N/A HIS 77.A ND1 GLY 80.A O no hydrogen 3.354 N/A ILE 78.A N SER 81.A O no hydrogen 2.756 N/A ASP 79.A N THR 110.A O no hydrogen 2.887 N/A SER 81.A N ILE 78.A O no hydrogen 2.900 N/A ALA 83.A N VAL 76.A O no hydrogen 3.242 N/A GLN 86.A N VAL 99.A O no hydrogen 3.011 N/A GLU 88.A N ARG 97.A O no hydrogen 3.135 N/A ARG 90.A NE GLU 92.A OE2 no hydrogen 3.034 N/A ARG 90.A NH1 SER 69.A OG no hydrogen 2.743 N/A LYS 91.A N GLY 95.A O no hydrogen 3.114 N/A GLY 95.A N LYS 91.A O no hydrogen 2.731 N/A SER 96.A OG GLU 88.A O no hydrogen 3.356 N/A ARG 97.A NE LEU 22.A O no hydrogen 2.633 N/A ARG 97.A NH1 GLU 88.A OE1 no hydrogen 3.035 N/A ARG 97.A NH2 LEU 22.A O no hydrogen 2.964 N/A LEU 98.A N LEU 66.A O no hydrogen 2.705 N/A VAL 99.A N GLN 86.A O no hydrogen 3.047 N/A ILE 100.A N LEU 64.A O no hydrogen 2.988 N/A ASN 101.A N ASP 84.A O no hydrogen 2.816 N/A CYS 105.A N ASN 102.A O no hydrogen 3.296 N/A CYS 105.A SG ASN 102.A O no hydrogen 3.169 N/A CYS 105.A SG ASN 106.A O no hydrogen 3.521 N/A ASN 106.A ND2 ASN 108.A O no hydrogen 2.797 N/A ASN 108.A N ASN 106.A OD1 no hydrogen 2.934 N/A PHE 109.A N LEU 54.A O no hydrogen 2.944 N/A THR 110.A N ASP 79.A OD1 no hydrogen 3.182 N/A THR 110.A OG1 GLN 53.A OE1 no hydrogen 3.098 N/A LEU 111.A N PHE 52.A O no hydrogen 2.983 N/A ASN 112.A N HIS 77.A O no hydrogen 3.037 N/A ASN 112.A ND2 THR 51.A OG1 no hydrogen 2.600 N/A ILE 113.A N VAL 50.A O no hydrogen 2.884 N/A GLN 114.A N GLU 75.A O no hydrogen 2.819 N/A PHE 115.A N GLY 48.A O no hydrogen 2.801 N/A ARG 116.A N ASP 72.A O no hydrogen 2.890 N/A THR 117.A N ILE 46.A O no hydrogen 2.888 N/A THR 117.A OG1 ILE 46.A O no hydrogen 3.144 N/A THR 118.A OG1 TYR 70.A O no hydrogen 2.420 N/A CYS 121.A N THR 118.A O no hydrogen 3.202 N/A CYS 121.A SG SER 150.A O no hydrogen 3.470 N/A THR 122.A N SER 150.A OG no hydrogen 3.026 N/A THR 122.A OG1 HIS 147.A ND1 no hydrogen 2.697 N/A GLN 125.A N PHE 140.A O no hydrogen 2.896 N/A LEU 127.A N TYR 138.A O no hydrogen 3.149 N/A ASN 128.A N GLN 131.A OE1 no hydrogen 2.958 N/A SER 129.A OG GLY 135.A O no hydrogen 2.410 N/A LYS 130.A N ASN 128.A OD1 no hydrogen 2.931 N/A GLN 131.A N ASN 128.A O no hydrogen 3.326 N/A GLN 131.A NE2 ASP 611.A O no hydrogen 3.271 N/A THR 132.A OG1 LYS 136.A O no hydrogen 3.082 N/A GLY 135.A N THR 132.A OG1 no hydrogen 3.127 N/A TYR 138.A N LEU 127.A O no hydrogen 3.270 N/A TYR 138.A OH ASN 262.A OD1 no hydrogen 2.676 N/A VAL 139.A N SER 206.A O no hydrogen 2.743 N/A PHE 140.A N GLN 125.A O no hydrogen 3.334 N/A SER 141.A N ILE 204.A O no hydrogen 2.900 N/A GLN 142.A N ALA 123.A O no hydrogen 3.177 N/A HIS 147.A N LEU 143.A O no hydrogen 2.742 N/A HIS 147.A ND1 THR 122.A OG1 no hydrogen 2.697 N/A ARG 149.A N ASP 156.A OD2 no hydrogen 3.053 N/A ARG 149.A NE ASP 156.A OD2 no hydrogen 2.653 N/A ARG 149.A NH1 SER 20.A O no hydrogen 2.912 N/A ARG 149.A NH1 LEU 94.A O no hydrogen 2.779 N/A ARG 149.A NH2 SER 20.A O no hydrogen 2.787 N/A ARG 149.A NH2 ASP 156.A O no hydrogen 3.088 N/A SER 150.A N HIS 147.A O no hydrogen 2.815 N/A SER 150.A OG SER 69.A O no hydrogen 3.182 N/A LEU 151.A N ALA 148.A O no hydrogen 2.837 N/A PHE 152.A N ALA 148.A O no hydrogen 3.077 N/A CYS 154.A N ASP 67.A O no hydrogen 3.307 N/A CYS 154.A SG PHE 152.A O no hydrogen 3.457 N/A ASP 156.A N ASP 67.A OD2 no hydrogen 2.885 N/A THR 157.A N PHE 155.A O no hydrogen 2.912 N/A THR 157.A OG1 ASP 18.A OD2 no hydrogen 2.601 N/A THR 157.A OG1 SER 159.A OG no hydrogen 2.649 N/A SER 159.A N THR 157.A OG1 no hydrogen 3.238 N/A SER 159.A OG THR 157.A OG1 no hydrogen 2.649 N/A SER 159.A OG CYS 310.A O no hydrogen 3.372 N/A VAL 160.A N THR 157.A O no hydrogen 3.089 N/A LYS 161.A NZ THR 308.A OG1 no hydrogen 2.867 N/A LYS 161.A NZ LYS 419.A O no hydrogen 2.756 N/A SER 162.A N ILE 197.A O no hydrogen 2.886 N/A SER 162.A OG THR 33.A OG1 no hydrogen 2.379 N/A SER 162.A OG THR 163.A O no hydrogen 2.815 N/A THR 163.A OG1 HIS 32.A ND1 no hydrogen 2.650 N/A PHE 164.A N GLN 193.A O no hydrogen 3.011 N/A THR 165.A N THR 33.A O no hydrogen 3.232 N/A ALA 166.A N PHE 191.A O no hydrogen 2.923 N/A SER 167.A N LEU 35.A O no hydrogen 2.774 N/A ILE 168.A N TYR 189.A O no hydrogen 2.784 N/A GLU 169.A N LEU 37.A O no hydrogen 2.785 N/A SER 170.A N ASN 187.A O no hydrogen 3.103 N/A SER 170.A OG SER 206.A OG no hydrogen 2.748 N/A VAL 175.A N ALA 205.A O no hydrogen 2.795 N/A SER 177.A N GLY 203.A O no hydrogen 2.945 N/A ILE 179.A N GLU 192.A O no hydrogen 2.694 N/A ILE 181.A N ARG 190.A O no hydrogen 2.693 N/A ASN 187.A N ASP 185.A OD2 no hydrogen 2.775 N/A ASN 187.A ND2 ASP 185.A OD2 no hydrogen 2.903 N/A TYR 189.A N ILE 168.A O no hydrogen 2.724 N/A PHE 191.A N ALA 166.A O no hydrogen 2.847 N/A GLU 192.A N ILE 179.A O no hydrogen 2.710 N/A GLN 193.A N PHE 164.A O no hydrogen 2.842 N/A GLN 193.A NE2 SER 177.A O no hydrogen 2.835 N/A GLN 193.A NE2 ASN 275.A OD1 no hydrogen 3.107 N/A VAL 195.A N GLN 193.A OE1 no hydrogen 3.423 N/A ILE 197.A N SER 162.A O no hydrogen 3.359 N/A LEU 201.A N PRO 198.A O no hydrogen 3.172 N/A ILE 202.A N ALA 199.A O no hydrogen 3.027 N/A GLY 203.A N SER 177.A OG no hydrogen 2.983 N/A ILE 204.A N SER 141.A OG no hydrogen 3.094 N/A ALA 205.A N VAL 175.A O no hydrogen 3.077 N/A SER 206.A N VAL 139.A O no hydrogen 2.742 N/A SER 206.A OG SER 170.A OG no hydrogen 2.748 N/A SER 206.A OG LEU 172.A O no hydrogen 3.238 N/A SER 206.A OG PRO 173.A O no hydrogen 2.956 N/A GLY 207.A N PRO 173.A O no hydrogen 3.179 N/A SER 210.A N THR 222.A O no hydrogen 3.136 N/A ALA 212.A N VAL 220.A O no hydrogen 3.132 N/A ILE 214.A N SER 218.A O no hydrogen 2.959 N/A ARG 217.A NE GLU 239.A OE1 no hydrogen 3.319 N/A ARG 217.A NE GLU 239.A OE2 no hydrogen 3.396 N/A ARG 217.A NH1 GLU 246.A OE2 no hydrogen 2.833 N/A ARG 217.A NH2 GLU 239.A OE2 no hydrogen 3.354 N/A ARG 217.A NH2 GLU 246.A OE1 no hydrogen 2.866 N/A ARG 217.A NH2 GLU 246.A OE2 no hydrogen 3.236 N/A SER 218.A N GLY 215.A O no hydrogen 3.501 N/A SER 218.A OG TYR 257.A O no hydrogen 2.738 N/A THR 219.A N ASP 258.A OD1 no hydrogen 2.963 N/A VAL 220.A N ALA 212.A O no hydrogen 2.831 N/A TYR 221.A N ILE 259.A O no hydrogen 2.918 N/A THR 222.A N SER 210.A O no hydrogen 3.306 N/A THR 222.A OG1 VAL 261.A O no hydrogen 3.148 N/A ARG 226.A N GLU 223.A O no hydrogen 2.984 N/A ARG 226.A NE THR 222.A OG1 no hydrogen 3.414 N/A ARG 226.A NH1 ASP 264.A OD1 no hydrogen 3.143 N/A ARG 226.A NH2 GLU 223.A OE1 no hydrogen 3.157 N/A ARG 226.A NH2 ASP 264.A OD2 no hydrogen 2.784 N/A LEU 227.A N PRO 224.A O no hydrogen 3.023 N/A CYS 230.A N ARG 226.A O no hydrogen 3.015 N/A CYS 230.A SG ARG 226.A O no hydrogen 3.260 N/A GLN 231.A N LEU 227.A O no hydrogen 3.066 N/A GLN 231.A NE2 PRO 213.A O no hydrogen 2.680 N/A TRP 232.A N LYS 228.A O no hydrogen 3.066 N/A GLU 233.A N ASP 229.A O no hydrogen 2.990 N/A PHE 234.A N CYS 230.A O no hydrogen 3.167 N/A GLU 235.A N GLN 231.A O no hydrogen 2.922 N/A ASP 237.A N PHE 234.A O no hydrogen 3.296 N/A VAL 238.A N PHE 234.A O no hydrogen 3.050 N/A LYS 240.A NZ ASP 237.A OD1 no hydrogen 2.580 N/A PHE 241.A N ASP 237.A O no hydrogen 2.748 N/A ILE 242.A N VAL 238.A O no hydrogen 3.221 N/A GLN 243.A N GLU 239.A O no hydrogen 3.065 N/A GLN 243.A NE2 GLU 239.A OE2 no hydrogen 2.780 N/A THR 244.A N LYS 240.A O no hydrogen 2.797 N/A THR 244.A OG1 LYS 240.A O no hydrogen 3.113 N/A ALA 245.A N PHE 241.A O no hydrogen 2.897 N/A GLU 246.A N ILE 242.A O no hydrogen 2.817 N/A LYS 247.A N GLN 243.A O no hydrogen 3.126 N/A ILE 248.A N THR 244.A O no hydrogen 3.257 N/A ILE 249.A N ALA 245.A O no hydrogen 3.172 N/A TYR 252.A N GLU 246.A OE2 no hydrogen 2.838 N/A TYR 252.A OH THR 256.A O no hydrogen 3.036 N/A TRP 254.A NE1 SER 301.A O no hydrogen 2.721 N/A TYR 257.A N ARG 217.A O no hydrogen 2.747 N/A TYR 257.A OH THR 277.A OG1 no hydrogen 2.899 N/A ILE 259.A N THR 219.A O no hydrogen 3.229 N/A LEU 260.A N THR 277.A O no hydrogen 2.668 N/A VAL 261.A N TYR 221.A O no hydrogen 2.735 N/A ASN 262.A N ALA 279.A O no hydrogen 3.075 N/A ASN 262.A ND2 ALA 279.A O no hydrogen 3.415 N/A TYR 266.A N VAL 263.A O no hydrogen 3.102 N/A MET 271.A N PHE 278.A O no hydrogen 2.924 N/A SER 273.A OG LEU 201.A O no hydrogen 3.325 N/A ASN 275.A ND2 TRP 254.A O no hydrogen 2.905 N/A ASN 275.A ND2 THR 256.A O no hydrogen 2.918 N/A MET 276.A N SER 273.A O no hydrogen 3.188 N/A THR 277.A N ASP 258.A O no hydrogen 2.947 N/A THR 277.A OG1 TYR 257.A OH no hydrogen 2.899 N/A PHE 278.A N MET 271.A O no hydrogen 2.892 N/A ALA 279.A N LEU 260.A O no hydrogen 2.681 N/A LEU 283.A N THR 280.A O no hydrogen 3.073 N/A ILE 284.A N PRO 281.A O no hydrogen 2.775 N/A ALA 285.A N GLU 233.A OE2 no hydrogen 3.283 N/A HIS 286.A N GLU 233.A OE1 no hydrogen 3.095 N/A HIS 286.A N GLU 233.A OE2 no hydrogen 3.318 N/A ARG 288.A N GLU 233.A OE2 no hydrogen 2.882 N/A ARG 288.A NE TRP 232.A O no hydrogen 2.799 N/A ARG 288.A NH2 TRP 232.A O no hydrogen 2.657 N/A SER 289.A N ASP 287.A OD1 no hydrogen 2.819 N/A SER 289.A OG ASP 287.A OD1 no hydrogen 2.453 N/A SER 289.A OG ASP 287.A OD2 no hydrogen 3.316 N/A ASN 290.A ND2 THR 282.A O no hydrogen 3.115 N/A ILE 294.A N ILE 291.A O no hydrogen 2.810 N/A ALA 295.A N ASP 292.A O no hydrogen 3.188 N/A HIS 296.A ND1 GLU 326.A OE1 no hydrogen 2.564 N/A LEU 298.A N ILE 294.A O no hydrogen 2.985 N/A ALA 299.A N ALA 295.A O no hydrogen 2.864 N/A HIS 300.A N HIS 296.A O no hydrogen 3.159 N/A HIS 300.A N GLU 297.A O no hydrogen 3.134 N/A HIS 300.A ND1 SER 303.A O no hydrogen 2.901 N/A HIS 300.A NE2 GLU 319.A OE2 no hydrogen 3.007 N/A SER 301.A N LEU 298.A O no hydrogen 2.906 N/A SER 301.A OG LEU 298.A O no hydrogen 2.836 N/A TRP 302.A N ALA 299.A O no hydrogen 3.012 N/A SER 303.A N ALA 299.A O no hydrogen 3.323 N/A SER 303.A OG THR 322.A OG1 no hydrogen 2.598 N/A GLY 304.A N VAL 307.A O no hydrogen 2.677 N/A ASN 305.A N HIS 300.A O no hydrogen 2.980 N/A ASN 305.A ND2 GLU 272.A O no hydrogen 2.797 N/A VAL 307.A N TRP 302.A O no hydrogen 2.873 N/A THR 308.A N LYS 419.A O no hydrogen 3.045 N/A THR 308.A OG1 GLY 304.A O no hydrogen 3.020 N/A ASN 309.A ND2 SER 311.A O no hydrogen 3.011 N/A CYS 310.A N LEU 421.A O no hydrogen 3.028 N/A CYS 310.A SG GLU 16.A O no hydrogen 3.893 N/A CYS 310.A SG LEU 421.A O no hydrogen 3.263 N/A ASN 313.A ND2 GLU 16.A OE2 no hydrogen 3.253 N/A ASN 313.A ND2 LEU 370.A O no hydrogen 3.401 N/A HIS 314.A N SER 311.A O no hydrogen 3.056 N/A HIS 314.A ND1 THR 423.A OG1 no hydrogen 2.600 N/A HIS 314.A NE2 GLU 16.A OE1 no hydrogen 3.337 N/A TRP 316.A NE1 THR 423.A OG1 no hydrogen 2.989 N/A LEU 317.A N HIS 314.A O no hydrogen 3.246 N/A ASN 318.A N PHE 315.A O no hydrogen 2.891 N/A ASN 318.A ND2 TYR 200.A OH no hydrogen 2.963 N/A ASN 318.A ND2 ASN 309.A OD1 no hydrogen 2.523 N/A GLU 319.A N PHE 315.A O no hydrogen 3.098 N/A GLY 320.A N TRP 316.A O no hydrogen 2.696 N/A THR 322.A N GLU 319.A O no hydrogen 3.270 N/A THR 322.A OG1 SER 303.A OG no hydrogen 2.598 N/A THR 322.A OG1 ASN 318.A O no hydrogen 2.878 N/A VAL 323.A N GLU 319.A O no hydrogen 2.956 N/A TYR 324.A N GLY 320.A O no hydrogen 3.002 N/A LEU 325.A N TRP 321.A O no hydrogen 2.988 N/A GLU 326.A N THR 322.A O no hydrogen 2.737 N/A ARG 327.A N VAL 323.A O no hydrogen 2.797 N/A ARG 327.A NH1 GLU 386.A OE1 no hydrogen 2.708 N/A ARG 327.A NH2 GLU 386.A OE1 no hydrogen 3.391 N/A ARG 327.A NH2 GLU 386.A OE2 no hydrogen 3.020 N/A ARG 328.A N TYR 324.A O no hydrogen 2.833 N/A ARG 328.A NH1 TYR 324.A OH no hydrogen 2.954 N/A ARG 328.A NH1 ASP 406.A OD1 no hydrogen 2.727 N/A ARG 328.A NH2 ASP 406.A OD1 no hydrogen 2.880 N/A ARG 328.A NH2 ASP 406.A OD2 no hydrogen 2.732 N/A ILE 329.A N LEU 325.A O no hydrogen 2.866 N/A ILE 330.A N GLU 326.A O no hydrogen 3.103 N/A GLY 331.A N ARG 327.A O no hydrogen 2.874 N/A ALA 332.A N ARG 328.A O no hydrogen 2.999 N/A ALA 332.A N ILE 329.A O no hydrogen 3.192 N/A ILE 333.A N ILE 329.A O no hydrogen 3.160 N/A ILE 333.A N ILE 330.A O no hydrogen 2.991 N/A HIS 334.A N ILE 330.A O no hydrogen 2.645 N/A GLY 335.A N GLY 331.A O no hydrogen 3.072 N/A THR 338.A N GLY 335.A O no hydrogen 3.069 N/A THR 338.A OG1 HIS 334.A O no hydrogen 3.338 N/A ARG 339.A NE GLU 336.A OE1 no hydrogen 2.729 N/A ARG 339.A NH1 GLU 396.A OE1 no hydrogen 3.345 N/A ARG 339.A NH2 GLU 336.A OE1 no hydrogen 2.864 N/A ARG 339.A NH2 GLU 336.A OE2 no hydrogen 2.657 N/A ARG 339.A NH2 GLU 396.A OE2 no hydrogen 3.234 N/A HIS 340.A N GLU 336.A O no hydrogen 3.123 N/A PHE 341.A N PRO 337.A O no hydrogen 3.011 N/A SER 342.A N THR 338.A O no hydrogen 2.746 N/A ALA 343.A N ARG 339.A O no hydrogen 2.731 N/A LEU 344.A N HIS 340.A O no hydrogen 2.706 N/A ILE 345.A N PHE 341.A O no hydrogen 2.824 N/A GLY 346.A N SER 342.A O no hydrogen 2.990 N/A TRP 347.A N ALA 343.A O no hydrogen 2.914 N/A SER 348.A N LEU 344.A O no hydrogen 3.309 N/A ASP 349.A N ILE 345.A O no hydrogen 3.019 N/A LEU 350.A N GLY 346.A O no hydrogen 2.994 N/A GLN 351.A N TRP 347.A O no hydrogen 3.309 N/A GLN 351.A NE2 ASP 355.A OD1 no hydrogen 2.748 N/A ASN 352.A N SER 348.A O no hydrogen 3.313 N/A SER 353.A N ASP 349.A O no hydrogen 3.092 N/A SER 353.A OG THR 382.A OG1 no hydrogen 3.221 N/A ILE 354.A N LEU 350.A O no hydrogen 2.834 N/A ASP 355.A N GLN 351.A O no hydrogen 2.827 N/A SER 356.A N ASN 352.A O no hydrogen 3.250 N/A MET 357.A N SER 353.A O no hydrogen 2.948 N/A ARG 362.A N ASP 359.A O no hydrogen 3.079 N/A ARG 362.A NH1 ASN 369.A O no hydrogen 3.361 N/A ARG 362.A NH1 THR 374.A OG1 no hydrogen 2.457 N/A PHE 363.A N ASP 359.A O no hydrogen 3.295 N/A THR 365.A OG1 VAL 367.A O no hydrogen 3.468 N/A THR 365.A OG1 LEU 450.A O no hydrogen 3.419 N/A VAL 367.A N LEU 450.A O no hydrogen 2.829 N/A GLN 368.A N ASN 313.A O no hydrogen 3.002 N/A LEU 370.A N ASN 313.A OD1 no hydrogen 2.533 N/A ASP 377.A N ASP 375.A OD1 no hydrogen 3.250 N/A ASP 378.A N ASP 375.A O no hydrogen 3.094 N/A ALA 379.A N PRO 376.A O no hydrogen 3.155 N/A PHE 380.A N ASP 377.A O no hydrogen 2.998 N/A THR 382.A N SER 353.A OG no hydrogen 3.378 N/A THR 382.A OG1 SER 353.A OG no hydrogen 3.221 N/A VAL 383.A N SER 381.A OG no hydrogen 3.081 N/A GLU 386.A N THR 382.A O no hydrogen 2.922 N/A LYS 387.A N VAL 383.A O no hydrogen 2.882 N/A LYS 387.A NZ LYS 452.A O no hydrogen 3.036 N/A LYS 387.A NZ GLY 454.A O no hydrogen 2.829 N/A GLY 388.A N VAL 383.A O no hydrogen 3.375 N/A PHE 389.A N TYR 385.A O no hydrogen 2.823 N/A ASN 390.A N GLU 386.A O no hydrogen 2.709 N/A LEU 391.A N LYS 387.A O no hydrogen 3.015 N/A LEU 392.A N GLY 388.A O no hydrogen 3.222 N/A PHE 393.A N PHE 389.A O no hydrogen 2.792 N/A HIS 394.A N ASN 390.A O no hydrogen 2.864 N/A LEU 395.A N LEU 391.A O no hydrogen 3.072 N/A GLU 396.A N LEU 392.A O no hydrogen 3.102 N/A THR 397.A N PHE 393.A O no hydrogen 3.015 N/A THR 397.A OG1 PHE 393.A O no hydrogen 3.033 N/A ILE 398.A N HIS 394.A O no hydrogen 3.177 N/A LEU 399.A N LEU 395.A O no hydrogen 3.308 N/A GLY 400.A N THR 397.A O no hydrogen 3.123 N/A GLY 401.A N GLU 396.A O no hydrogen 2.837 N/A GLU 404.A N GLY 401.A O no hydrogen 3.084 N/A PHE 405.A N GLY 401.A O no hydrogen 2.917 N/A ASP 406.A N LYS 402.A O no hydrogen 2.666 N/A ILE 409.A N PHE 405.A O no hydrogen 3.058 N/A ARG 410.A N ASP 406.A O no hydrogen 3.248 N/A ARG 410.A NE ILE 249.A O no hydrogen 3.148 N/A ARG 410.A NH1 LYS 247.A O no hydrogen 3.033 N/A HIS 411.A N PRO 407.A O no hydrogen 3.236 N/A TYR 412.A N PHE 408.A O no hydrogen 3.012 N/A PHE 413.A N ILE 409.A O no hydrogen 3.174 N/A LYS 414.A N ARG 410.A O no hydrogen 3.032 N/A LYS 415.A N HIS 411.A O no hydrogen 2.658 N/A LYS 415.A NZ THR 429.A OG1 no hydrogen 3.264 N/A PHE 416.A N TYR 412.A O no hydrogen 3.027 N/A LYS 418.A N LEU 306.A O no hydrogen 2.844 N/A LYS 419.A N PHE 416.A O no hydrogen 2.829 N/A SER 420.A OG PRO 158.A O no hydrogen 2.620 N/A LEU 421.A N THR 308.A O no hydrogen 2.929 N/A THR 423.A N HIS 314.A ND1 no hydrogen 2.594 N/A THR 423.A OG1 HIS 314.A ND1 no hydrogen 2.600 N/A GLN 425.A N ASP 422.A OD1 no hydrogen 2.781 N/A PHE 426.A N ASP 422.A O no hydrogen 3.154 N/A PHE 426.A N THR 423.A O no hydrogen 2.930 N/A LEU 427.A N THR 423.A O no hydrogen 3.132 N/A ASP 428.A N PHE 424.A O no hydrogen 3.287 N/A THR 429.A OG1 GLN 425.A O no hydrogen 2.799 N/A LEU 430.A N PHE 426.A O no hydrogen 2.965 N/A TYR 431.A N LEU 427.A O no hydrogen 2.694 N/A GLU 432.A N ASP 428.A O no hydrogen 2.611 N/A PHE 433.A N THR 429.A O no hydrogen 3.115 N/A PHE 433.A N LEU 430.A O no hydrogen 3.191 N/A TYR 434.A OH GLU 404.A O no hydrogen 2.422 N/A LYS 437.A NZ LEU 399.A O no hydrogen 3.140 N/A LYS 438.A N PRO 435.A O no hydrogen 3.299 N/A LYS 438.A NZ MET 1.A O no hydrogen 3.434 N/A LEU 441.A N LYS 437.A O no hydrogen 3.165 N/A ASP 442.A N LYS 438.A O no hydrogen 3.275 N/A SER 443.A N ILE 440.A O no hydrogen 2.716 N/A SER 443.A OG ILE 440.A O no hydrogen 2.475 N/A TRP 446.A NE1 TYR 431.A OH no hydrogen 2.989 N/A THR 448.A N ASP 445.A O no hydrogen 2.982 N/A THR 448.A OG1 ASP 445.A OD2 no hydrogen 2.319 N/A TRP 449.A N ASP 445.A O no hydrogen 3.160 N/A LEU 450.A N TRP 446.A O no hydrogen 2.665 N/A TYR 451.A N GLU 447.A O no hydrogen 3.131 N/A GLY 454.A N SER 364.A OG no hydrogen 2.567 N/A ILE 462.A N HIS 340.A ND1 no hydrogen 2.948 N/A THR 463.A OG1 ASP 467.A OD1 no hydrogen 3.236 N/A THR 463.A OG1 ASP 467.A OD2 no hydrogen 2.751 N/A ALA 466.A N THR 463.A O no hydrogen 2.874 N/A ASP 467.A N THR 463.A O no hydrogen 2.752 N/A ASN 468.A N ALA 464.A O no hydrogen 3.166 N/A TYR 470.A N ALA 466.A O no hydrogen 2.927 N/A GLN 471.A N ASP 467.A O no hydrogen 2.657 N/A LEU 472.A N ASN 468.A O no hydrogen 3.060 N/A ALA 473.A N VAL 469.A O no hydrogen 2.771 N/A ASP 474.A N TYR 470.A O no hydrogen 2.667 N/A LYS 475.A N GLN 471.A O no hydrogen 2.900 N/A LYS 475.A NZ GLU 492.A OE1 no hydrogen 3.431 N/A TRP 476.A N LEU 472.A O no hydrogen 3.347 N/A TRP 476.A NE1 TYR 542.A OH no hydrogen 2.948 N/A VAL 477.A N ALA 473.A O no hydrogen 3.422 N/A GLU 478.A N ASP 474.A O no hydrogen 2.977 N/A MET 479.A N LYS 475.A O no hydrogen 2.731 N/A ALA 480.A N TRP 476.A O no hydrogen 2.670 N/A GLN 481.A N GLU 478.A O no hydrogen 3.390 N/A HIS 482.A NE2 GLU 478.A OE2 no hydrogen 3.001 N/A LEU 483.A N MET 479.A O no hydrogen 3.065 N/A PHE 489.A N THR 485.A O no hydrogen 2.832 N/A ARG 490.A N THR 486.A O no hydrogen 2.826 N/A SER 491.A N ASP 488.A O no hydrogen 3.227 N/A PHE 493.A N PHE 489.A O no hydrogen 3.161 N/A ASN 494.A N ASP 497.A OD2 no hydrogen 2.860 N/A ILE 496.A N ASN 494.A OD1 no hydrogen 3.113 N/A ASP 497.A N ASN 494.A O no hydrogen 2.909 N/A LYS 499.A N ILE 496.A O no hydrogen 3.245 N/A PHE 501.A N ILE 498.A O no hydrogen 3.217 N/A ASN 502.A N GLN 505.A OE1 no hydrogen 3.142 N/A SER 503.A OG SER 289.A O no hydrogen 2.456 N/A GLN 505.A N ASN 502.A O no hydrogen 2.955 N/A GLN 505.A N ASN 502.A OD1 no hydrogen 2.958 N/A GLN 505.A NE2 LEU 465.A O no hydrogen 2.675 N/A LEU 506.A N ASN 502.A O no hydrogen 3.260 N/A VAL 507.A N SER 503.A O no hydrogen 3.204 N/A LEU 508.A N ASN 504.A O no hydrogen 3.224 N/A PHE 509.A N GLN 505.A O no hydrogen 2.743 N/A LEU 510.A N LEU 506.A O no hydrogen 2.793 N/A GLU 511.A N VAL 507.A O no hydrogen 2.945 N/A THR 512.A N LEU 508.A O no hydrogen 2.531 N/A THR 512.A OG1 LEU 508.A O no hydrogen 2.857 N/A LEU 513.A N PHE 509.A O no hydrogen 2.996 N/A THR 514.A OG1 GLU 511.A O no hydrogen 2.934 N/A GLN 515.A N THR 512.A O no hydrogen 2.889 N/A GLY 517.A N THR 512.A O no hydrogen 3.146 N/A HIS 518.A N ASP 474.A OD1 no hydrogen 3.034 N/A LYS 522.A N ASN 520.A O no hydrogen 2.759 N/A LYS 522.A NZ GLY 517.A O no hydrogen 2.568 N/A TRP 528.A NE1 LEU 513.A O no hydrogen 2.877 N/A ALA 529.A N ASP 527.A OD1 no hydrogen 2.499 N/A SER 535.A N PHE 531.A O no hydrogen 3.310 N/A SER 535.A OG PHE 531.A O no hydrogen 3.289 N/A SER 535.A OG PRO 532.A O no hydrogen 3.319 N/A ARG 536.A N PRO 532.A O no hydrogen 3.486 N/A ARG 536.A NE GLU 569.A OE2 no hydrogen 3.079 N/A ARG 536.A NH1 PRO 532.A O no hydrogen 3.359 N/A ARG 536.A NH2 GLU 569.A OE1 no hydrogen 2.805 N/A ARG 536.A NH2 GLU 569.A OE2 no hydrogen 3.333 N/A ALA 537.A N VAL 533.A O no hydrogen 2.765 N/A LEU 538.A N ALA 534.A O no hydrogen 3.056 N/A LEU 538.A N SER 535.A O no hydrogen 3.083 N/A LEU 539.A N SER 535.A O no hydrogen 3.419 N/A ASP 540.A N ARG 536.A O no hydrogen 3.155 N/A ILE 541.A N ALA 537.A O no hydrogen 3.024 N/A TYR 542.A N LEU 538.A O no hydrogen 3.144 N/A TYR 542.A OH ASP 497.A OD2 no hydrogen 2.850 N/A GLN 543.A NE2 ASP 544.A OD1 no hydrogen 3.387 N/A ILE 546.A N TYR 542.A O no hydrogen 3.042 N/A LYS 548.A N GLN 543.A O no hydrogen 2.674 N/A LYS 548.A NZ ASP 544.A OD1 no hydrogen 3.121 N/A SER 549.A N ILE 546.A O no hydrogen 3.169 N/A ASN 551.A N SER 549.A OG no hydrogen 3.342 N/A ASN 551.A ND2 SER 289.A OG no hydrogen 3.181 N/A VAL 554.A N ASN 551.A OD1 no hydrogen 3.292 N/A VAL 555.A N ASN 551.A O no hydrogen 2.736 N/A PHE 556.A N ALA 552.A O no hydrogen 2.885 N/A LYS 557.A NZ GLU 511.A OE1 no hydrogen 3.087 N/A MET 558.A N VAL 554.A O no hydrogen 3.085 N/A PHE 559.A N VAL 555.A O no hydrogen 3.084 N/A LYS 560.A N PHE 556.A O no hydrogen 2.895 N/A LYS 560.A NZ GLU 511.A OE1 no hydrogen 3.030 N/A PHE 561.A N LYS 557.A O no hydrogen 2.957 N/A GLN 562.A N MET 558.A O no hydrogen 2.820 N/A ILE 563.A N PHE 559.A O no hydrogen 2.742 N/A PHE 564.A N LYS 560.A O no hydrogen 2.799 N/A ALA 565.A N PHE 561.A O no hydrogen 2.783 N/A LYS 566.A N ILE 563.A O no hydrogen 3.229 N/A LEU 567.A N GLN 562.A O no hydrogen 3.176 N/A GLU 569.A N GLU 569.A OE1 no hydrogen 2.788 N/A GLU 570.A N LEU 567.A O no hydrogen 3.094 N/A LYS 572.A NZ GLU 569.A O no hydrogen 3.249 N/A LEU 574.A N GLU 570.A O no hydrogen 3.073 N/A ALA 575.A N TYR 571.A O no hydrogen 2.783 N/A ASP 576.A N LYS 572.A O no hydrogen 2.883 N/A TRP 577.A N HIS 573.A O no hydrogen 3.280 N/A LEU 578.A N LEU 574.A O no hydrogen 3.261 N/A LEU 578.A N ALA 575.A O no hydrogen 3.173 N/A GLY 579.A N ASP 576.A O no hydrogen 2.900 N/A THR 580.A N TRP 577.A O no hydrogen 3.052 N/A THR 580.A OG1 TRP 577.A O no hydrogen 2.655 N/A ARG 583.A NH1 THR 282.A OG1 no hydrogen 2.745 N/A MET 584.A N PRO 267.A O no hydrogen 2.912 N/A LYS 585.A NZ GLU 553.A OE1 no hydrogen 3.335 N/A LYS 585.A NZ GLU 553.A OE2 no hydrogen 2.707 N/A PHE 586.A N ARG 583.A O no hydrogen 3.014 N/A VAL 587.A N ARG 583.A O no hydrogen 2.900 N/A ARG 588.A N MET 584.A O no hydrogen 3.032 N/A ARG 588.A NE ASP 624.A OD2 no hydrogen 3.410 N/A GLY 590.A N PHE 586.A O no hydrogen 2.796 N/A TYR 591.A N VAL 587.A O no hydrogen 2.899 N/A TYR 591.A OH TYR 613.A OH no hydrogen 2.745 N/A ARG 592.A N ARG 588.A O no hydrogen 3.019 N/A LEU 593.A N PRO 589.A O no hydrogen 2.854 N/A LEU 594.A N GLY 590.A O no hydrogen 3.396 N/A ASN 595.A N TYR 591.A O no hydrogen 3.171 N/A SER 596.A N ARG 592.A O no hydrogen 3.347 N/A SER 596.A OG ARG 592.A O no hydrogen 3.525 N/A SER 596.A OG LEU 593.A O no hydrogen 2.933 N/A ASP 598.A N LEU 594.A O no hydrogen 2.992 N/A ARG 599.A NH1 ASN 595.A OD1 no hydrogen 2.916 N/A ARG 599.A NH1 LEU 625.A O no hydrogen 2.956 N/A ARG 599.A NH2 LEU 625.A O no hydrogen 2.473 N/A LEU 601.A N ASP 598.A O no hydrogen 3.075 N/A LEU 601.A N ASP 598.A OD1 no hydrogen 3.134 N/A ALA 602.A N ASP 598.A O no hydrogen 3.178 N/A LEU 603.A N ARG 599.A O no hydrogen 3.189 N/A ALA 604.A N ARG 600.A O no hydrogen 3.218 N/A THR 605.A N LEU 601.A O no hydrogen 2.599 N/A THR 605.A OG1 LEU 601.A O no hydrogen 2.530 N/A PHE 606.A N ALA 602.A O no hydrogen 2.667 N/A ASP 607.A N LEU 603.A O no hydrogen 2.915 N/A LYS 608.A N ALA 604.A O no hydrogen 2.955 N/A PHE 609.A N THR 605.A O no hydrogen 3.002 N/A THR 612.A N PHE 609.A O no hydrogen 3.027 N/A THR 612.A OG1 PHE 609.A O no hydrogen 2.671 N/A TYR 613.A OH LEU 578.A O no hydrogen 2.460 N/A TYR 613.A OH TYR 591.A OH no hydrogen 2.745 N/A HIS 614.A NE2 GLN 125.A OE1 no hydrogen 2.725 N/A ILE 616.A N HIS 614.A ND1 no hydrogen 2.950 N/A CYS 617.A SG GLY 582.A O no hydrogen 3.442 N/A LYS 618.A N HIS 614.A O no hydrogen 2.996 N/A LYS 618.A NZ ASP 611.A OD1 no hydrogen 2.887 N/A ALA 619.A N PRO 615.A O no hydrogen 3.067 N/A LEU 620.A N ILE 616.A O no hydrogen 3.162 N/A VAL 621.A N CYS 617.A O no hydrogen 3.072 N/A LYS 622.A N LYS 618.A O no hydrogen 2.821 N/A GLN 623.A N ALA 619.A O no hydrogen 2.968 N/A ASP 624.A N LEU 620.A O no hydrogen 3.262 N/A LEU 625.A N VAL 621.A O no hydrogen 3.344 N/A GLY 626.A N GLN 623.A O no hydrogen 2.979 N/A LEU 627.A N LYS 622.A O no hydrogen 3.046 N/A