Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xw3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 THR 1.A O no hydrogen 2.617 N/A THR 1.A OG1 ASP 4.A OD2 no hydrogen 3.464 N/A GLN 3.A N GLN 3.A OE1 no hydrogen 2.505 N/A ILE 5.A N THR 1.A O no hydrogen 2.964 N/A GLY 6.A N LEU 2.A O no hydrogen 2.879 N/A VAL 7.A N GLN 3.A O no hydrogen 2.920 N/A SER 8.A N ASP 4.A O no hydrogen 2.907 N/A SER 8.A OG ASP 4.A O no hydrogen 3.122 N/A SER 8.A OG ILE 5.A O no hydrogen 2.652 N/A ALA 9.A N ILE 5.A O no hydrogen 2.906 N/A GLY 10.A N GLY 6.A O no hydrogen 2.881 N/A ILE 11.A N VAL 7.A O no hydrogen 2.898 N/A ASN 12.A N SER 8.A O no hydrogen 2.942 N/A ILE 13.A N ALA 9.A O no hydrogen 2.878 N/A LEU 14.A N GLY 10.A O no hydrogen 2.937 N/A SER 15.A N ILE 11.A O no hydrogen 2.893 N/A ALA 16.A N ASN 12.A O no hydrogen 2.873 N/A PHE 17.A N ILE 13.A O no hydrogen 2.906 N/A VAL 18.A N LEU 14.A O no hydrogen 2.895 N/A PHE 19.A N SER 15.A O no hydrogen 2.886 N/A PHE 20.A N ALA 16.A O no hydrogen 2.897 N/A ILE 21.A N PHE 17.A O no hydrogen 2.916 N/A ILE 22.A N VAL 18.A O no hydrogen 2.913 N/A PHE 23.A N PHE 19.A O no hydrogen 2.884 N/A ALA 24.A N PHE 20.A O no hydrogen 2.882 N/A VAL 25.A N ILE 21.A O no hydrogen 2.923 N/A LEU 26.A N ILE 22.A O no hydrogen 2.916 N/A ARG 27.A N PHE 23.A O no hydrogen 2.872 N/A LEU 28.A N ALA 24.A O no hydrogen 3.424 N/A GLN 29.A N LEU 26.A O no hydrogen 3.150 N/A ASN 32.A ND2 LEU 26.A O no hydrogen 2.920 N/A ASP 33.A N PRO 30.A O no hydrogen 3.303 N/A VAL 35.A N ASN 32.A O no hydrogen 3.163 N/A TYR 36.A N ASN 32.A O no hydrogen 2.953 N/A PHE 37.A N ASP 33.A O no hydrogen 2.902 N/A LYS 39.A N ASN 527.A O no hydrogen 2.963 N/A LYS 39.A NZ ASN 530.A OD1 no hydrogen 2.781 N/A TRP 40.A NE1 ASN 527.A OD1 no hydrogen 2.781 N/A LEU 42.A N SER 38.A O no hydrogen 3.109 N/A LYS 43.A NZ HIS 68.A O no hydrogen 3.480 N/A GLY 44.A N TYR 41.A O no hydrogen 3.109 N/A LEU 45.A N TRP 40.A O no hydrogen 2.960 N/A ARG 46.A N TRP 40.A O no hydrogen 2.876 N/A ARG 46.A NH2 ASP 33.A OD2 no hydrogen 2.867 N/A SER 48.A OG SER 48.A O no hydrogen 2.444 N/A MET 54.A N LEU 51.A O no hydrogen 3.189 N/A GLU 56.A N ASN 52.A O no hydrogen 2.958 N/A ALA 57.A N TRP 53.A O no hydrogen 2.885 N/A ALA 57.A N MET 54.A O no hydrogen 3.266 N/A LEU 58.A N PRO 55.A O no hydrogen 3.322 N/A LYS 59.A N GLU 56.A O no hydrogen 3.469 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.880 N/A LEU 65.A N PRO 61.A O no hydrogen 2.910 N/A ILE 66.A N GLU 62.A O no hydrogen 2.826 N/A ASP 67.A N PRO 63.A O no hydrogen 2.986 N/A HIS 68.A N GLU 64.A O no hydrogen 2.861 N/A HIS 68.A NE2 ILE 526.A O no hydrogen 2.932 N/A ALA 69.A N LEU 65.A O no hydrogen 2.911 N/A GLY 70.A N ILE 66.A O no hydrogen 2.899 N/A LEU 71.A N GLU 534.A OE2 no hydrogen 3.404 N/A SER 73.A N GLN 531.A OE1 no hydrogen 2.791 N/A SER 73.A OG GLN 531.A OE1 no hydrogen 2.313 N/A VAL 74.A N GLY 70.A O no hydrogen 2.981 N/A VAL 75.A N LEU 71.A O no hydrogen 2.876 N/A TYR 76.A N ASP 72.A O no hydrogen 2.914 N/A LEU 77.A N SER 73.A O no hydrogen 2.902 N/A ARG 78.A N VAL 74.A O no hydrogen 2.876 N/A ARG 78.A NE GLU 125.A OE2 no hydrogen 2.748 N/A ARG 78.A NH2 GLU 125.A OE1 no hydrogen 3.043 N/A ARG 78.A NH2 GLU 125.A OE2 no hydrogen 2.629 N/A ILE 79.A N VAL 75.A O no hydrogen 2.975 N/A ILE 79.A N TYR 76.A O no hydrogen 3.221 N/A TYR 80.A N LEU 77.A O no hydrogen 3.167 N/A TYR 80.A OH TYR 76.A OH no hydrogen 2.398 N/A LEU 82.A N ARG 78.A O no hydrogen 2.866 N/A GLY 83.A N ILE 79.A O no hydrogen 2.923 N/A LEU 84.A N TYR 80.A O no hydrogen 2.935 N/A LYS 85.A N TRP 81.A O no hydrogen 2.913 N/A LYS 85.A NZ GLU 125.A OE1 no hydrogen 2.542 N/A ILE 86.A N LEU 82.A O no hydrogen 2.913 N/A PHE 87.A N GLY 83.A O no hydrogen 2.944 N/A THR 88.A N LEU 84.A O no hydrogen 2.912 N/A THR 88.A OG1 LEU 84.A O no hydrogen 2.410 N/A ALA 91.A N PHE 87.A O no hydrogen 3.270 N/A VAL 92.A N THR 88.A O no hydrogen 2.978 N/A LEU 93.A N PRO 89.A O no hydrogen 2.900 N/A ALA 94.A N ILE 90.A O no hydrogen 2.891 N/A TRP 95.A N ALA 91.A O no hydrogen 2.935 N/A ALA 96.A N VAL 92.A O no hydrogen 2.923 N/A VAL 97.A N LEU 93.A O no hydrogen 2.913 N/A LEU 98.A N ALA 94.A O no hydrogen 2.930 N/A VAL 99.A N TRP 95.A O no hydrogen 2.923 N/A PHE 104.A N SER 101.A O no hydrogen 3.123 N/A THR 106.A N MET 102.A O no hydrogen 2.890 N/A THR 106.A OG1 MET 102.A O no hydrogen 2.655 N/A HIS 107.A N ARG 103.A O no hydrogen 2.941 N/A ILE 108.A N PHE 104.A O no hydrogen 2.917 N/A VAL 109.A N TRP 105.A O no hydrogen 2.940 N/A MET 110.A N THR 106.A O no hydrogen 2.928 N/A ALA 111.A N HIS 107.A O no hydrogen 2.883 N/A TYR 112.A N ILE 108.A O no hydrogen 2.962 N/A ALA 113.A N VAL 109.A O no hydrogen 2.930 N/A PHE 114.A N MET 110.A O no hydrogen 2.885 N/A THR 115.A N ALA 111.A O no hydrogen 2.904 N/A THR 115.A OG1 ALA 111.A O no hydrogen 3.241 N/A ILE 116.A N TYR 112.A O no hydrogen 2.962 N/A TRP 117.A N ALA 113.A O no hydrogen 2.938 N/A TRP 117.A NE1 LYS 85.A O no hydrogen 3.137 N/A THR 118.A N PHE 114.A O no hydrogen 2.914 N/A THR 118.A OG1 PHE 114.A O no hydrogen 2.985 N/A CYS 119.A N THR 115.A O no hydrogen 2.925 N/A CYS 119.A SG THR 115.A O no hydrogen 3.357 N/A TYR 120.A N ILE 116.A O no hydrogen 2.952 N/A VAL 121.A N TRP 117.A O no hydrogen 2.958 N/A LEU 122.A N THR 118.A O no hydrogen 2.891 N/A MET 123.A N CYS 119.A O no hydrogen 2.901 N/A LYS 124.A N TYR 120.A O no hydrogen 2.995 N/A GLU 125.A N VAL 121.A O no hydrogen 2.932 N/A TYR 126.A N LEU 122.A O no hydrogen 2.847 N/A GLU 127.A N MET 123.A O no hydrogen 2.991 N/A THR 128.A N LYS 124.A O no hydrogen 2.968 N/A THR 128.A OG1 LYS 124.A O no hydrogen 3.018 N/A ILE 129.A N GLU 125.A O no hydrogen 2.885 N/A ALA 130.A N TYR 126.A O no hydrogen 2.932 N/A ASN 131.A N GLU 127.A O no hydrogen 2.968 N/A MET 132.A N THR 128.A O no hydrogen 2.926 N/A ARG 133.A N ILE 129.A O no hydrogen 2.873 N/A ARG 133.A NE ALA 536.A O no hydrogen 2.645 N/A LEU 134.A N ALA 130.A O no hydrogen 2.965 N/A GLN 135.A N ASN 131.A O no hydrogen 2.942 N/A PHE 136.A N MET 132.A O no hydrogen 2.901 N/A VAL 137.A N ARG 133.A O no hydrogen 2.897 N/A ALA 138.A N LEU 134.A O no hydrogen 2.945 N/A SER 139.A N GLN 135.A O no hydrogen 2.935 N/A SER 139.A OG GLN 135.A O no hydrogen 3.258 N/A SER 139.A OG PHE 136.A O no hydrogen 3.155 N/A GLU 140.A N VAL 137.A O no hydrogen 3.423 N/A ARG 142.A NH1 GLU 611.A OE2 no hydrogen 2.750 N/A ARG 143.A NE ASP 145.A OD1 no hydrogen 3.190 N/A ARG 143.A NH2 ASP 145.A OD2 no hydrogen 2.258 N/A ARG 143.A NH2 GLU 534.A O no hydrogen 3.479 N/A GLN 146.A N ARG 143.A O no hydrogen 3.174 N/A GLN 146.A NE2 ALA 141.A O no hydrogen 3.522 N/A PHE 147.A N PRO 144.A O no hydrogen 3.420 N/A THR 148.A OG1 PRO 144.A O no hydrogen 2.825 N/A THR 148.A OG1 SER 271.A OG no hydrogen 2.918 N/A VAL 149.A N VAL 270.A O no hydrogen 2.699 N/A LEU 150.A N GLU 296.A O no hydrogen 3.095 N/A VAL 151.A N ALA 268.A O no hydrogen 2.865 N/A ARG 152.A N LEU 294.A O no hydrogen 2.756 N/A ASN 153.A ND2 THR 291.A O no hydrogen 2.331 N/A VAL 154.A N PRO 266.A O no hydrogen 3.029 N/A ASP 159.A N ASP 157.A OD1 no hydrogen 2.800 N/A GLU 160.A N ASP 157.A OD1 no hydrogen 3.063 N/A SER 161.A N GLU 164.A OE2 no hydrogen 2.703 N/A SER 163.A OG HIS 181.A NE2 no hydrogen 2.626 N/A GLU 164.A N SER 161.A OG no hydrogen 3.140 N/A LEU 165.A N SER 161.A O no hydrogen 2.906 N/A VAL 166.A N VAL 162.A O no hydrogen 2.927 N/A GLU 167.A N SER 163.A O no hydrogen 2.936 N/A HIS 168.A N GLU 164.A O no hydrogen 2.929 N/A PHE 169.A N LEU 165.A O no hydrogen 2.900 N/A PHE 170.A N VAL 166.A O no hydrogen 2.936 N/A LEU 171.A N GLU 167.A O no hydrogen 2.924 N/A VAL 172.A N HIS 168.A O no hydrogen 2.966 N/A ASN 173.A N PHE 169.A O no hydrogen 2.924 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 2.323 N/A HIS 174.A N PHE 170.A O no hydrogen 2.890 N/A TYR 178.A N HIS 174.A O no hydrogen 3.336 N/A TYR 178.A OH HIS 181.A ND1 no hydrogen 2.821 N/A LEU 179.A N SER 271.A O no hydrogen 2.956 N/A THR 180.A N SER 271.A O no hydrogen 3.176 N/A HIS 181.A ND1 TYR 178.A OH no hydrogen 2.821 N/A HIS 181.A NE2 SER 163.A OG no hydrogen 2.626 N/A GLN 182.A N PHE 269.A O no hydrogen 2.735 N/A VAL 184.A N ALA 267.A O no hydrogen 3.122 N/A ASN 186.A N ALA 263.A O no hydrogen 2.784 N/A ASN 188.A N ASN 186.A OD1 no hydrogen 3.495 N/A ASN 188.A ND2 SER 307.A O no hydrogen 2.902 N/A LYS 189.A NZ GLU 253.A OE1 no hydrogen 3.385 N/A ALA 191.A N ALA 187.A O no hydrogen 2.897 N/A ASP 192.A N ASN 188.A O no hydrogen 2.907 N/A LEU 193.A N LYS 189.A O no hydrogen 2.933 N/A VAL 194.A N LEU 190.A O no hydrogen 2.936 N/A LYS 195.A N ALA 191.A O no hydrogen 2.889 N/A LYS 196.A N ASP 192.A O no hydrogen 2.924 N/A LYS 197.A N LEU 193.A O no hydrogen 2.911 N/A LYS 198.A N VAL 194.A O no hydrogen 2.901 N/A LYS 199.A N LYS 195.A O no hydrogen 2.953 N/A LEU 200.A N LYS 196.A O no hydrogen 2.923 N/A GLN 201.A N LYS 197.A O no hydrogen 2.873 N/A GLN 201.A NE2 ASP 205.A OD2 no hydrogen 3.552 N/A ASN 202.A N LYS 198.A O no hydrogen 2.935 N/A TRP 203.A N LYS 199.A O no hydrogen 2.950 N/A LEU 204.A N LEU 200.A O no hydrogen 2.888 N/A ASP 205.A N GLN 201.A O no hydrogen 2.892 N/A TYR 206.A N ASN 202.A O no hydrogen 2.937 N/A TYR 207.A N TRP 203.A O no hydrogen 2.960 N/A GLN 208.A N LEU 204.A O no hydrogen 2.872 N/A LEU 209.A N ASP 205.A O no hydrogen 2.920 N/A LYS 210.A N TYR 206.A O no hydrogen 2.914 N/A TYR 211.A N TYR 207.A O no hydrogen 2.921 N/A TYR 211.A OH VAL 233.A O no hydrogen 2.742 N/A ALA 212.A N GLN 208.A O no hydrogen 2.887 N/A ARG 213.A N LEU 209.A O no hydrogen 2.895 N/A ASN 214.A N LYS 210.A O no hydrogen 2.904 N/A ARG 218.A N TYR 211.A OH no hydrogen 2.546 N/A ARG 218.A N VAL 233.A O no hydrogen 3.140 N/A PHE 225.A N LEU 223.A O no hydrogen 2.959 N/A LEU 228.A N VAL 221.A O no hydrogen 3.166 N/A GLY 230.A N LEU 228.A O no hydrogen 2.605 N/A ALA 235.A N GLU 237.A OE2 no hydrogen 3.202 N/A ILE 236.A N ASP 234.A OD2 no hydrogen 3.373 N/A TYR 239.A N ALA 235.A O no hydrogen 2.899 N/A ILE 240.A N ILE 236.A O no hydrogen 2.914 N/A ALA 241.A N GLU 237.A O no hydrogen 2.884 N/A GLU 242.A N HIS 238.A O no hydrogen 2.893 N/A ILE 243.A N TYR 239.A O no hydrogen 2.869 N/A ASP 244.A N ILE 240.A O no hydrogen 2.933 N/A LYS 245.A N ALA 241.A O no hydrogen 2.881 N/A ILE 246.A N GLU 242.A O no hydrogen 2.895 N/A SER 247.A N ILE 243.A O no hydrogen 2.877 N/A LYS 248.A N ASP 244.A O no hydrogen 2.969 N/A GLU 249.A N LYS 245.A O no hydrogen 2.910 N/A ILE 250.A N ILE 246.A O no hydrogen 2.828 N/A SER 251.A N SER 247.A O no hydrogen 2.925 N/A SER 251.A OG SER 247.A O no hydrogen 3.177 N/A LYS 252.A N LYS 248.A O no hydrogen 2.948 N/A GLU 253.A N GLU 249.A O no hydrogen 2.871 N/A ARG 254.A N ILE 250.A O no hydrogen 2.854 N/A ARG 254.A NH2 VAL 632.A O no hydrogen 3.555 N/A GLU 255.A N SER 251.A O no hydrogen 2.978 N/A GLU 256.A N LYS 252.A O no hydrogen 2.906 N/A VAL 257.A N GLU 253.A O no hydrogen 2.882 N/A VAL 258.A N ARG 254.A O no hydrogen 2.972 N/A LYS 262.A N ASP 260.A OD1 no hydrogen 2.894 N/A LYS 262.A NZ ASP 260.A OD2 no hydrogen 3.147 N/A ALA 263.A N ASP 260.A O no hydrogen 3.400 N/A ILE 264.A N PRO 261.A O no hydrogen 3.098 N/A MET 265.A N VAL 184.A O no hydrogen 3.436 N/A ALA 268.A N VAL 151.A O no hydrogen 3.121 N/A PHE 269.A N GLN 182.A O no hydrogen 2.678 N/A VAL 270.A N VAL 149.A O no hydrogen 2.831 N/A SER 271.A N THR 180.A O no hydrogen 2.800 N/A SER 271.A OG THR 148.A OG1 no hydrogen 2.918 N/A PHE 272.A N PHE 147.A O no hydrogen 2.926 N/A LYS 273.A N HIS 177.A O no hydrogen 2.820 N/A ARG 275.A NE GLN 146.A OE1 no hydrogen 2.713 N/A ARG 275.A NH1 GLU 611.A OE1 no hydrogen 2.313 N/A ARG 275.A NH2 GLN 146.A OE1 no hydrogen 2.736 N/A ARG 275.A NH2 GLU 611.A OE1 no hydrogen 2.747 N/A ALA 277.A N THR 274.A OG1 no hydrogen 2.919 N/A ALA 278.A N THR 274.A O no hydrogen 2.974 N/A ALA 279.A N ARG 275.A O no hydrogen 2.856 N/A VAL 280.A N TRP 276.A O no hydrogen 2.908 N/A CYS 281.A N ALA 277.A O no hydrogen 2.924 N/A CYS 281.A SG HIS 174.A NE2 no hydrogen 4.033 N/A CYS 281.A SG GLN 286.A OE1 no hydrogen 3.914 N/A ALA 282.A N ALA 278.A O no hydrogen 2.922 N/A GLN 283.A N VAL 280.A O no hydrogen 3.463 N/A GLN 283.A NE2 ALA 279.A O no hydrogen 2.671 N/A GLN 283.A NE2 TYR 599.A O no hydrogen 3.361 N/A THR 284.A OG1 VAL 280.A O no hydrogen 2.897 N/A THR 291.A N ASN 289.A OD1 no hydrogen 3.125 N/A THR 291.A OG1 ASN 289.A OD1 no hydrogen 2.804 N/A GLN 292.A N ASN 289.A O no hydrogen 3.330 N/A TRP 293.A N ASN 153.A O no hydrogen 3.341 N/A LEU 294.A N ARG 152.A O no hydrogen 3.043 N/A THR 295.A OG1 TRP 293.A O no hydrogen 3.193 N/A GLU 296.A N LEU 150.A O no hydrogen 3.304 N/A ASP 303.A N GLU 300.A O no hydrogen 2.650 N/A VAL 304.A N GLU 300.A O no hydrogen 3.077 N/A PHE 305.A N THR 382.A O no hydrogen 3.134 N/A ASN 308.A N PHE 305.A O no hydrogen 3.104 N/A ASN 308.A ND2 LYS 377.A O no hydrogen 3.103 N/A LEU 309.A N TRP 306.A O no hydrogen 3.350 N/A ILE 311.A N ASN 308.A O no hydrogen 3.068 N/A SER 315.A N PRO 312.A O no hydrogen 3.386 N/A SER 315.A OG PRO 312.A O no hydrogen 3.126 N/A LEU 316.A N TYR 313.A O no hydrogen 3.089 N/A ARG 319.A N SER 315.A O no hydrogen 2.917 N/A ARG 320.A N LEU 316.A O no hydrogen 2.852 N/A LEU 321.A N THR 317.A O no hydrogen 2.983 N/A ILE 322.A N VAL 318.A O no hydrogen 2.951 N/A MET 323.A N ARG 319.A O no hydrogen 2.790 N/A HIS 324.A N ARG 320.A O no hydrogen 2.958 N/A VAL 325.A N LEU 321.A O no hydrogen 2.987 N/A ALA 326.A N ILE 322.A O no hydrogen 2.873 N/A PHE 327.A N MET 323.A O no hydrogen 2.849 N/A PHE 328.A N HIS 324.A O no hydrogen 2.900 N/A PHE 329.A N VAL 325.A O no hydrogen 2.965 N/A LEU 330.A N ALA 326.A O no hydrogen 2.882 N/A THR 331.A N PHE 327.A O no hydrogen 2.883 N/A PHE 332.A N PHE 328.A O no hydrogen 2.917 N/A PHE 333.A N PHE 329.A O no hydrogen 2.883 N/A PHE 334.A N LEU 330.A O no hydrogen 2.949 N/A ALA 339.A N ILE 335.A O no hydrogen 2.374 N/A PHE 340.A N VAL 336.A O no hydrogen 2.883 N/A VAL 341.A N PRO 337.A O no hydrogen 2.916 N/A GLN 342.A N ILE 338.A O no hydrogen 2.913 N/A SER 343.A N ALA 339.A O no hydrogen 2.875 N/A LEU 344.A N PHE 340.A O no hydrogen 2.907 N/A ALA 345.A N VAL 341.A O no hydrogen 2.927 N/A THR 346.A N LEU 344.A O no hydrogen 2.898 N/A SER 350.A N PHE 347.A O no hydrogen 3.125 N/A SER 350.A OG PHE 347.A O no hydrogen 2.525 N/A GLN 353.A N LYS 349.A O no hydrogen 2.893 N/A GLY 354.A N SER 350.A O no hydrogen 2.922 N/A PHE 355.A N VAL 351.A O no hydrogen 2.947 N/A PHE 355.A N ILE 352.A O no hydrogen 3.248 N/A LEU 356.A N ILE 352.A O no hydrogen 2.845 N/A GLY 358.A N PHE 355.A O no hydrogen 3.298 N/A ALA 360.A N LEU 356.A O no hydrogen 2.908 N/A LEU 361.A N PRO 357.A O no hydrogen 2.906 N/A LYS 362.A N GLY 358.A O no hydrogen 2.898 N/A LEU 363.A N ILE 359.A O no hydrogen 2.956 N/A PHE 364.A N ALA 360.A O no hydrogen 2.901 N/A LEU 365.A N LEU 361.A O no hydrogen 2.916 N/A ALA 366.A N LEU 363.A O no hydrogen 3.216 N/A ILE 371.A N PHE 367.A O no hydrogen 2.908 N/A LEU 372.A N LEU 368.A O no hydrogen 2.959 N/A MET 373.A N PRO 369.A O no hydrogen 2.903 N/A ILE 374.A N SER 370.A O no hydrogen 2.880 N/A MET 375.A N ILE 371.A O no hydrogen 2.913 N/A SER 376.A N LEU 372.A O no hydrogen 2.968 N/A SER 376.A OG LEU 372.A O no hydrogen 3.361 N/A LYS 377.A N MET 373.A O no hydrogen 2.851 N/A PHE 378.A N ILE 374.A O no hydrogen 2.855 N/A GLU 379.A N MET 375.A O no hydrogen 3.082 N/A THR 382.A OG1 PHE 381.A O no hydrogen 2.431 N/A ILE 384.A N ASP 303.A O no hydrogen 3.113 N/A SER 385.A N ASP 303.A OD2 no hydrogen 3.238 N/A SER 386.A N SER 383.A OG no hydrogen 3.393 N/A LEU 387.A N SER 383.A O no hydrogen 2.905 N/A GLU 388.A N ILE 384.A O no hydrogen 2.871 N/A ARG 389.A N SER 385.A O no hydrogen 2.946 N/A ARG 389.A NE ASP 542.A OD2 no hydrogen 2.651 N/A ARG 389.A NH2 ASP 542.A OD1 no hydrogen 3.342 N/A ARG 389.A NH2 ASP 542.A OD2 no hydrogen 2.640 N/A ARG 390.A N SER 386.A O no hydrogen 2.885 N/A ALA 391.A N LEU 387.A O no hydrogen 2.881 N/A ALA 392.A N GLU 388.A O no hydrogen 2.883 N/A PHE 393.A N ARG 389.A O no hydrogen 2.909 N/A ARG 394.A N ARG 390.A O no hydrogen 2.925 N/A TYR 395.A N ALA 391.A O no hydrogen 2.877 N/A TYR 396.A N ALA 392.A O no hydrogen 2.865 N/A ILE 397.A N PHE 393.A O no hydrogen 2.949 N/A PHE 398.A N ARG 394.A O no hydrogen 2.929 N/A ASN 399.A N TYR 395.A O no hydrogen 2.828 N/A LEU 400.A N TYR 396.A O no hydrogen 2.908 N/A VAL 401.A N ILE 397.A O no hydrogen 2.897 N/A ASN 402.A N PHE 398.A O no hydrogen 2.884 N/A VAL 403.A N ASN 399.A O no hydrogen 3.007 N/A PHE 404.A N ASN 399.A O no hydrogen 3.442 N/A LEU 405.A N LEU 400.A O no hydrogen 3.292 N/A ALA 406.A N VAL 401.A O no hydrogen 3.179 N/A SER 407.A N ASN 402.A O no hydrogen 2.851 N/A VAL 408.A N PHE 404.A O no hydrogen 2.925 N/A ILE 409.A N LEU 405.A O no hydrogen 2.952 N/A ALA 410.A N ALA 406.A O no hydrogen 2.899 N/A GLY 411.A N SER 407.A O no hydrogen 2.910 N/A ALA 412.A N VAL 408.A O no hydrogen 2.913 N/A ALA 413.A N ILE 409.A O no hydrogen 2.925 N/A PHE 414.A N ALA 410.A O no hydrogen 2.908 N/A GLU 415.A N GLY 411.A O no hydrogen 2.877 N/A GLN 416.A N ALA 412.A O no hydrogen 2.913 N/A GLN 416.A NE2 THR 420.A OG1 no hydrogen 2.652 N/A ALA 424.A N THR 420.A O no hydrogen 2.918 N/A ILE 425.A N ILE 421.A O no hydrogen 2.897 N/A MET 427.A N ALA 424.A O no hydrogen 2.933 N/A ALA 429.A N PRO 426.A O no hydrogen 2.960 N/A PHE 432.A N LYS 428.A O no hydrogen 2.962 N/A ILE 433.A N ALA 429.A O no hydrogen 2.818 N/A THR 434.A N THR 430.A O no hydrogen 2.998 N/A THR 434.A OG1 GLY 354.A O no hydrogen 3.071 N/A THR 434.A OG1 THR 430.A O no hydrogen 3.376 N/A TYR 435.A N PHE 431.A O no hydrogen 2.920 N/A TYR 435.A OH ASP 439.A OD2 no hydrogen 2.688 N/A ILE 436.A N PHE 432.A O no hydrogen 2.872 N/A MET 437.A N ILE 433.A O no hydrogen 2.852 N/A VAL 438.A N THR 434.A O no hydrogen 2.990 N/A ASP 439.A N TYR 435.A O no hydrogen 2.884 N/A GLY 440.A N MET 437.A O no hydrogen 3.401 N/A VAL 444.A N GLY 440.A O no hydrogen 2.870 N/A ALA 445.A N TRP 441.A O no hydrogen 2.946 N/A GLY 446.A N ALA 442.A O no hydrogen 2.879 N/A GLU 447.A N GLY 443.A O no hydrogen 2.886 N/A ILE 448.A N VAL 444.A O no hydrogen 2.972 N/A LEU 449.A N GLY 446.A O no hydrogen 3.226 N/A MET 450.A N GLU 447.A O no hydrogen 3.270 N/A LEU 454.A N MET 450.A O no hydrogen 2.884 N/A ILE 455.A N LEU 451.A O no hydrogen 2.925 N/A MET 456.A N LYS 452.A O no hydrogen 2.942 N/A PHE 457.A N PRO 453.A O no hydrogen 2.874 N/A HIS 458.A N LEU 454.A O no hydrogen 2.958 N/A LEU 459.A N ILE 455.A O no hydrogen 2.895 N/A LYS 460.A N MET 456.A O no hydrogen 2.946 N/A ASN 461.A N PHE 457.A O no hydrogen 2.941 N/A ALA 462.A N HIS 458.A O no hydrogen 2.857 N/A PHE 463.A N LEU 459.A O no hydrogen 2.951 N/A LEU 464.A N LYS 460.A O no hydrogen 2.862 N/A VAL 465.A N LYS 460.A O no hydrogen 2.833 N/A LYS 466.A NZ ASP 205.A OD1 no hydrogen 3.275 N/A LYS 466.A NZ ASP 205.A OD2 no hydrogen 2.822 N/A ASP 468.A N THR 467.A OG1 no hydrogen 2.643 N/A ALA 474.A N ASP 470.A O no hydrogen 2.890 N/A MET 475.A N ARG 471.A O no hydrogen 2.886 N/A THR 484.A N GLY 481.A O no hydrogen 3.296 N/A GLY 485.A N GLY 481.A O no hydrogen 2.889 N/A GLU 486.A N PHE 482.A O no hydrogen 2.948 N/A ARG 488.A N THR 484.A O no hydrogen 3.446 N/A ILE 489.A N GLY 485.A O no hydrogen 3.199 N/A GLN 490.A N GLU 486.A O no hydrogen 2.957 N/A GLN 490.A NE2 GLU 486.A OE2 no hydrogen 3.297 N/A GLN 490.A NE2 VAL 543.A O no hydrogen 3.322 N/A LEU 491.A N PRO 487.A O no hydrogen 2.870 N/A TYR 492.A N ARG 488.A O no hydrogen 2.984 N/A PHE 493.A N ILE 489.A O no hydrogen 2.880 N/A LEU 494.A N GLN 490.A O no hydrogen 2.911 N/A LEU 495.A N LEU 491.A O no hydrogen 2.880 N/A GLY 496.A N TYR 492.A O no hydrogen 2.904 N/A LEU 497.A N PHE 493.A O no hydrogen 2.938 N/A VAL 498.A N LEU 494.A O no hydrogen 2.892 N/A TYR 499.A N LEU 495.A O no hydrogen 2.984 N/A VAL 502.A N TYR 499.A O no hydrogen 3.435 N/A THR 503.A N TYR 499.A O no hydrogen 2.859 N/A THR 503.A OG1 TYR 499.A O no hydrogen 3.059 N/A LEU 506.A N THR 503.A O no hydrogen 3.138 N/A LEU 507.A N PRO 504.A O no hydrogen 3.281 N/A PHE 509.A N LEU 506.A O no hydrogen 3.234 N/A LEU 511.A N LEU 507.A O no hydrogen 2.969 N/A VAL 512.A N PRO 508.A O no hydrogen 2.935 N/A PHE 513.A N PHE 509.A O no hydrogen 2.905 N/A PHE 514.A N ILE 510.A O no hydrogen 2.919 N/A ALA 515.A N LEU 511.A O no hydrogen 2.986 N/A LEU 516.A N VAL 512.A O no hydrogen 2.943 N/A ALA 517.A N PHE 513.A O no hydrogen 2.847 N/A TYR 518.A N PHE 514.A O no hydrogen 2.901 N/A ILE 519.A N ALA 515.A O no hydrogen 2.992 N/A VAL 520.A N LEU 516.A O no hydrogen 2.964 N/A TYR 521.A N ALA 517.A O no hydrogen 2.869 N/A ARG 522.A N TYR 518.A O no hydrogen 2.880 N/A ARG 522.A NE ALA 57.A O no hydrogen 2.751 N/A ARG 522.A NH2 LYS 59.A O no hydrogen 2.937 N/A HIS 523.A N ILE 519.A O no hydrogen 3.018 N/A GLN 524.A N VAL 520.A O no hydrogen 2.907 N/A ILE 525.A N TYR 521.A O no hydrogen 2.837 N/A ILE 526.A N ARG 522.A O no hydrogen 2.919 N/A ASN 527.A N HIS 523.A O no hydrogen 2.976 N/A VAL 528.A N GLN 524.A O no hydrogen 2.840 N/A TYR 533.A OH GLU 388.A OE1 no hydrogen 2.633 N/A GLU 534.A N GLU 300.A OE2 no hydrogen 3.004 N/A SER 535.A N ASP 72.A OD2 no hydrogen 2.684 N/A ALA 537.A N ASP 72.A OD1 no hydrogen 2.753 N/A ALA 538.A N SER 535.A OG no hydrogen 3.310 N/A TRP 540.A N ALA 537.A O no hydrogen 3.225 N/A VAL 543.A N PHE 539.A O no hydrogen 2.950 N/A HIS 544.A N TRP 540.A O no hydrogen 2.898 N/A GLY 545.A N PRO 541.A O no hydrogen 2.907 N/A ARG 546.A N ASP 542.A O no hydrogen 2.902 N/A ARG 546.A NE GLU 486.A OE2 no hydrogen 2.526 N/A VAL 547.A N VAL 543.A O no hydrogen 2.953 N/A ILE 548.A N HIS 544.A O no hydrogen 2.945 N/A ALA 549.A N GLY 545.A O no hydrogen 2.891 N/A ALA 550.A N ARG 546.A O no hydrogen 2.906 N/A LEU 551.A N VAL 547.A O no hydrogen 2.916 N/A VAL 552.A N ILE 548.A O no hydrogen 2.926 N/A ILE 553.A N ALA 549.A O no hydrogen 2.919 N/A SER 554.A N ALA 550.A O no hydrogen 2.889 N/A SER 554.A OG LEU 497.A O no hydrogen 2.813 N/A GLN 555.A N LEU 551.A O no hydrogen 2.957 N/A GLN 555.A NE2 THR 115.A OG1 no hydrogen 2.630 N/A LEU 556.A N VAL 552.A O no hydrogen 2.923 N/A LEU 557.A N ILE 553.A O no hydrogen 2.923 N/A LEU 558.A N SER 554.A O no hydrogen 2.905 N/A MET 559.A N GLN 555.A O no hydrogen 2.937 N/A GLY 560.A N LEU 556.A O no hydrogen 2.914 N/A LEU 561.A N LEU 557.A O no hydrogen 2.881 N/A LEU 562.A N LEU 558.A O no hydrogen 2.920 N/A GLY 563.A N MET 559.A O no hydrogen 2.888 N/A GLY 563.A N GLY 560.A O no hydrogen 3.282 N/A THR 564.A N LEU 561.A O no hydrogen 3.438 N/A THR 564.A OG1 LEU 561.A O no hydrogen 2.887 N/A PHE 573.A N ALA 570.A O no hydrogen 3.255 N/A LEU 574.A N ALA 570.A O no hydrogen 2.914 N/A ILE 575.A N ALA 571.A O no hydrogen 2.912 N/A LEU 577.A N PHE 573.A O no hydrogen 2.970 N/A LEU 580.A N ALA 576.A O no hydrogen 3.049 N/A THR 581.A N LEU 577.A O no hydrogen 2.926 N/A THR 581.A OG1 LEU 577.A O no hydrogen 3.542 N/A THR 581.A OG1 PRO 578.A O no hydrogen 2.572 N/A ILE 582.A N PRO 578.A O no hydrogen 2.925 N/A GLY 583.A N VAL 579.A O no hydrogen 2.917 N/A PHE 584.A N LEU 580.A O no hydrogen 2.913 N/A HIS 585.A N THR 581.A O no hydrogen 2.915 N/A HIS 585.A ND1 HIS 544.A NE2 no hydrogen 3.272 N/A HIS 586.A N ILE 582.A O no hydrogen 2.905 N/A PHE 587.A N GLY 583.A O no hydrogen 2.942 N/A CYS 588.A N PHE 584.A O no hydrogen 2.937 N/A CYS 588.A SG PHE 584.A O no hydrogen 3.476 N/A LYS 589.A N HIS 585.A O no hydrogen 2.873 N/A LYS 589.A NZ HIS 585.A NE2 no hydrogen 2.941 N/A GLY 590.A N HIS 586.A O no hydrogen 2.975 N/A ARG 591.A N PHE 587.A O no hydrogen 2.897 N/A ARG 591.A N CYS 588.A O no hydrogen 3.274 N/A ARG 591.A NH1 ARG 591.A O no hydrogen 2.518 N/A TYR 592.A N CYS 588.A O no hydrogen 2.915 N/A TYR 592.A N LYS 589.A O no hydrogen 3.316 N/A TYR 592.A OH GLU 127.A OE2 no hydrogen 2.408 N/A GLU 593.A N LYS 589.A O no hydrogen 2.954 N/A ALA 595.A N TYR 592.A O no hydrogen 2.748 N/A PHE 596.A N GLU 593.A O no hydrogen 2.807 N/A ILE 597.A N GLU 593.A O no hydrogen 2.966 N/A ARG 598.A N PRO 594.A O no hydrogen 2.894 N/A ALA 604.A N PRO 600.A O no hydrogen 2.995 N/A MET 605.A N LEU 601.A O no hydrogen 2.867 N/A MET 606.A N GLN 602.A O no hydrogen 2.876 N/A LYS 607.A N GLU 603.A O no hydrogen 2.934 N/A LYS 607.A NZ VAL 137.A O no hydrogen 3.374 N/A LYS 607.A NZ ALA 138.A O no hydrogen 2.420 N/A LYS 607.A NZ GLU 140.A O no hydrogen 2.293 N/A ASP 608.A N ALA 604.A O no hydrogen 2.937 N/A THR 609.A N MET 605.A O no hydrogen 2.870 N/A THR 609.A OG1 MET 605.A O no hydrogen 2.802 N/A LEU 610.A N MET 606.A O no hydrogen 2.957 N/A GLU 611.A N LYS 607.A O no hydrogen 2.949 N/A THR 612.A N ASP 608.A O no hydrogen 2.906 N/A ALA 613.A N THR 609.A O no hydrogen 2.925 N/A ARG 614.A N LEU 610.A O no hydrogen 2.909 N/A GLU 615.A N GLU 611.A O no hydrogen 2.901 N/A LEU 620.A N LEU 618.A O no hydrogen 2.950 N/A GLY 622.A N ASN 619.A OD1 no hydrogen 3.304 N/A TYR 623.A N ASN 619.A O no hydrogen 2.911 N/A LEU 624.A N LEU 620.A O no hydrogen 2.928 N/A LEU 624.A N LYS 621.A O no hydrogen 3.265 N/A GLN 625.A N LYS 621.A O no hydrogen 2.904 N/A ALA 627.A N LEU 624.A O no hydrogen 3.257 N/A VAL 632.A N HIS 630.A ND1 no hydrogen 3.090 N/A