Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9au4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ALA 11.A O no hydrogen 3.477 N/A THR 1.A OG1 PHE 3.A O no hydrogen 3.081 N/A THR 1.A OG1 ALA 11.A O no hydrogen 3.249 N/A GLN 8.A N ASP 33.A OD2 no hydrogen 2.653 N/A LEU 10.A N SER 7.A OG no hydrogen 3.303 N/A ALA 11.A N SER 7.A O no hydrogen 2.863 N/A GLN 12.A N GLN 8.A O no hydrogen 3.168 N/A ASP 13.A N LEU 10.A O no hydrogen 3.232 N/A THR 15.A N ASP 13.A OD1 no hydrogen 2.988 N/A THR 15.A OG1 ASP 13.A OD1 no hydrogen 2.594 N/A THR 16.A N LYS 691.A O no hydrogen 2.985 N/A THR 16.A OG1 LYS 691.A O no hydrogen 3.469 N/A ARG 18.A NE ASP 690.A OD1 no hydrogen 3.219 N/A ARG 18.A NH1 PHE 3.A O no hydrogen 2.544 N/A ARG 18.A NH2 ASP 690.A OD1 no hydrogen 2.629 N/A ILE 19.A N THR 16.A O no hydrogen 2.994 N/A TRP 20.A N THR 16.A O no hydrogen 3.407 N/A TYR 21.A N ARG 17.A O no hydrogen 2.664 N/A TYR 21.A OH SER 696.A OG no hydrogen 2.674 N/A GLY 22.A N ARG 18.A O no hydrogen 2.530 N/A ILE 23.A N ILE 19.A O no hydrogen 2.863 N/A ILE 23.A N TRP 20.A O no hydrogen 3.008 N/A ALA 24.A N TRP 20.A O no hydrogen 2.924 N/A THR 25.A N TYR 21.A O no hydrogen 2.945 N/A THR 25.A OG1 TYR 21.A O no hydrogen 2.722 N/A THR 31.A N ASP 28.A O no hydrogen 3.337 N/A THR 31.A OG1 ASP 28.A O no hydrogen 3.078 N/A HIS 32.A N PHE 29.A O no hydrogen 3.448 N/A HIS 32.A NE2 THR 25.A O no hydrogen 3.077 N/A ASP 33.A N PHE 6.A O no hydrogen 2.755 N/A THR 36.A OG1 ASN 39.A OD1 no hydrogen 2.320 N/A ASN 39.A N THR 36.A OG1 no hydrogen 3.417 N/A LEU 40.A N THR 36.A O no hydrogen 3.109 N/A TYR 41.A N GLU 37.A O no hydrogen 2.970 N/A GLN 42.A N GLU 38.A O no hydrogen 3.016 N/A LYS 43.A N ASN 39.A O no hydrogen 2.874 N/A ILE 44.A N LEU 40.A O no hydrogen 2.968 N/A PHE 45.A N TYR 41.A O no hydrogen 2.934 N/A ALA 46.A N GLN 42.A O no hydrogen 3.043 N/A SER 47.A N LYS 43.A O no hydrogen 2.944 N/A SER 47.A OG LYS 43.A O no hydrogen 3.452 N/A SER 47.A OG ILE 44.A O no hydrogen 2.642 N/A HIS 48.A N ILE 44.A O no hydrogen 2.889 N/A PHE 49.A N PHE 45.A O no hydrogen 3.035 N/A GLY 50.A N ALA 46.A O no hydrogen 2.996 N/A HIS 51.A N SER 47.A O no hydrogen 2.888 N/A ILE 52.A N HIS 48.A O no hydrogen 2.948 N/A ALA 53.A N PHE 49.A O no hydrogen 3.029 N/A ILE 54.A N GLY 50.A O no hydrogen 2.925 N/A ILE 55.A N HIS 51.A O no hydrogen 2.971 N/A PHE 56.A N ILE 52.A O no hydrogen 2.975 N/A LEU 57.A N ALA 53.A O no hydrogen 2.911 N/A TRP 58.A N ILE 54.A O no hydrogen 2.939 N/A THR 59.A N ILE 55.A O no hydrogen 2.992 N/A THR 59.A OG1 ILE 55.A O no hydrogen 3.397 N/A THR 59.A OG1 PHE 56.A O no hydrogen 2.507 N/A SER 60.A N PHE 56.A O no hydrogen 2.912 N/A SER 60.A OG ALA 137.A O no hydrogen 2.763 N/A GLY 61.A N LEU 57.A O no hydrogen 2.908 N/A THR 62.A N TRP 58.A O no hydrogen 3.002 N/A THR 62.A OG1 TRP 58.A O no hydrogen 3.202 N/A LEU 63.A N THR 59.A O no hydrogen 2.938 N/A PHE 64.A N SER 60.A O no hydrogen 2.888 N/A HIS 65.A N GLY 61.A O no hydrogen 2.968 N/A HIS 65.A ND1 GLN 69.A OE1 no hydrogen 2.874 N/A VAL 66.A N THR 62.A O no hydrogen 3.021 N/A ALA 67.A N LEU 63.A O no hydrogen 2.917 N/A TRP 68.A N PHE 64.A O no hydrogen 2.859 N/A GLN 69.A N HIS 65.A O no hydrogen 3.336 N/A GLY 70.A N VAL 66.A O no hydrogen 3.188 N/A ASN 71.A N TYR 119.A OH no hydrogen 3.044 N/A ASN 71.A ND2 ARG 83.A O no hydrogen 3.137 N/A ASN 71.A ND2 ALA 105.A O no hydrogen 3.241 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.700 N/A TRP 75.A N ASN 71.A O no hydrogen 2.821 N/A ILE 76.A N PHE 72.A O no hydrogen 2.817 N/A LYS 77.A N GLU 73.A O no hydrogen 3.051 N/A LYS 77.A NZ GLU 73.A O no hydrogen 2.964 N/A ASP 78.A N GLN 74.A O no hydrogen 3.411 N/A ASN 81.A ND2 ASP 78.A OD2 no hydrogen 3.139 N/A ARG 83.A NH1 ASP 360.A OD2 no hydrogen 3.501 N/A ILE 85.A N TYR 119.A OH no hydrogen 3.370 N/A ALA 86.A N ASN 112.A O no hydrogen 2.788 N/A ALA 88.A N GLN 69.A OE1 no hydrogen 3.239 N/A ILE 89.A N PRO 110.A O no hydrogen 2.699 N/A HIS 93.A N ASP 91.A OD1 no hydrogen 3.102 N/A HIS 93.A ND1 ASP 91.A OD1 no hydrogen 2.497 N/A PHE 94.A N ASP 91.A O no hydrogen 3.312 N/A VAL 99.A N GLY 95.A O no hydrogen 3.036 N/A ASN 100.A N GLU 96.A O no hydrogen 2.939 N/A ALA 101.A N GLY 97.A O no hydrogen 2.877 N/A PHE 102.A N ALA 98.A O no hydrogen 2.922 N/A THR 103.A N VAL 99.A O no hydrogen 3.079 N/A THR 103.A OG1 VAL 99.A O no hydrogen 2.426 N/A GLN 104.A NE2 PHE 102.A O no hydrogen 3.458 N/A GLN 104.A NE2 VAL 111.A O no hydrogen 2.824 N/A ALA 107.A N GLN 104.A O no hydrogen 3.179 N/A VAL 111.A N PHE 102.A O no hydrogen 2.938 N/A ASN 112.A N HIS 87.A O no hydrogen 3.142 N/A ALA 114.A N PRO 84.A O no hydrogen 3.056 N/A TYR 119.A OH ASN 71.A OD1 no hydrogen 3.153 N/A TYR 119.A OH ILE 85.A O no hydrogen 2.665 N/A HIS 120.A ND1 ALA 355.A O no hydrogen 3.138 N/A HIS 120.A NE2 ASP 360.A OD2 no hydrogen 2.846 N/A TRP 121.A N GLY 117.A O no hydrogen 3.036 N/A PHE 122.A N VAL 118.A O no hydrogen 3.043 N/A TYR 123.A N TYR 119.A O no hydrogen 2.890 N/A THR 124.A N HIS 120.A O no hydrogen 2.957 N/A THR 124.A OG1 HIS 120.A O no hydrogen 2.396 N/A ILE 125.A N TRP 121.A O no hydrogen 3.234 N/A GLY 126.A N TYR 123.A O no hydrogen 3.300 N/A THR 128.A N GLU 132.A OE1 no hydrogen 2.723 N/A THR 128.A OG1 THR 129.A OG1 no hydrogen 3.358 N/A THR 128.A OG1 GLU 132.A OE1 no hydrogen 3.460 N/A THR 129.A N GLU 132.A OE1 no hydrogen 3.056 N/A THR 129.A OG1 THR 128.A OG1 no hydrogen 3.358 N/A ASN 130.A N GLU 73.A OE2 no hydrogen 3.200 N/A TYR 134.A N ASN 130.A O no hydrogen 2.939 N/A SER 135.A N GLN 131.A O no hydrogen 2.934 N/A SER 135.A OG GLN 131.A O no hydrogen 2.888 N/A GLY 136.A N GLU 132.A O no hydrogen 2.922 N/A ALA 137.A N LEU 133.A O no hydrogen 2.900 N/A VAL 138.A N TYR 134.A O no hydrogen 2.998 N/A PHE 139.A N SER 135.A O no hydrogen 2.931 N/A LEU 140.A N GLY 136.A O no hydrogen 2.854 N/A LEU 141.A N ALA 137.A O no hydrogen 2.932 N/A VAL 142.A N VAL 138.A O no hydrogen 3.017 N/A LEU 143.A N PHE 139.A O no hydrogen 2.917 N/A ALA 144.A N LEU 140.A O no hydrogen 2.886 N/A SER 145.A N LEU 141.A O no hydrogen 2.962 N/A SER 145.A OG LEU 141.A O no hydrogen 3.048 N/A LEU 146.A N VAL 142.A O no hydrogen 2.935 N/A PHE 147.A N LEU 143.A O no hydrogen 2.997 N/A LEU 148.A N ALA 144.A O no hydrogen 2.917 N/A PHE 149.A N SER 145.A O no hydrogen 2.963 N/A ALA 150.A N LEU 146.A O no hydrogen 2.874 N/A GLY 151.A N PHE 147.A O no hydrogen 2.970 N/A TRP 152.A N LEU 148.A O no hydrogen 3.042 N/A LEU 153.A N PHE 149.A O no hydrogen 2.845 N/A HIS 154.A N ALA 150.A O no hydrogen 2.900 N/A LEU 155.A N GLY 151.A O no hydrogen 3.050 N/A LEU 155.A N TRP 152.A O no hydrogen 3.219 N/A GLN 156.A N LEU 153.A O no hydrogen 2.818 N/A PHE 159.A N GLN 156.A O no hydrogen 3.263 N/A ARG 160.A N GLN 156.A O no hydrogen 2.666 N/A ARG 160.A NH1 LEU 155.A O no hydrogen 3.119 N/A LYS 167.A NZ GLU 37.A OE2 no hydrogen 3.360 N/A LYS 167.A NZ ASN 324.A OD1 no hydrogen 3.296 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 3.021 N/A ARG 172.A N ASN 168.A O no hydrogen 3.420 N/A LEU 173.A N ALA 169.A O no hydrogen 2.931 N/A ASN 174.A N GLU 170.A O no hydrogen 2.957 N/A ASN 174.A ND2 TYR 289.A O no hydrogen 2.734 N/A HIS 175.A N SER 171.A O no hydrogen 2.881 N/A HIS 176.A N ARG 172.A O no hydrogen 2.887 N/A LEU 177.A N LEU 173.A O no hydrogen 2.901 N/A ALA 178.A N ASN 174.A O no hydrogen 2.928 N/A GLY 179.A N HIS 175.A O no hydrogen 2.767 N/A LEU 180.A N HIS 175.A O no hydrogen 3.219 N/A PHE 181.A N HIS 176.A O no hydrogen 2.631 N/A GLY 182.A N LEU 177.A O no hydrogen 3.029 N/A VAL 183.A N ALA 178.A O no hydrogen 2.641 N/A SER 184.A OG LEU 180.A O no hydrogen 3.203 N/A SER 185.A N PHE 181.A O no hydrogen 3.116 N/A SER 185.A OG HIS 275.A O no hydrogen 3.157 N/A LEU 186.A N GLY 182.A O no hydrogen 2.898 N/A ALA 187.A N VAL 183.A O no hydrogen 2.838 N/A TRP 188.A N SER 184.A O no hydrogen 2.868 N/A ALA 189.A N SER 185.A O no hydrogen 2.929 N/A GLY 190.A N LEU 186.A O no hydrogen 2.899 N/A HIS 191.A N ALA 187.A O no hydrogen 2.885 N/A HIS 191.A NE2 ILE 125.A O no hydrogen 3.323 N/A LEU 192.A N TRP 188.A O no hydrogen 2.861 N/A VAL 193.A N ALA 189.A O no hydrogen 2.962 N/A HIS 194.A N GLY 190.A O no hydrogen 2.876 N/A VAL 195.A N HIS 191.A O no hydrogen 2.770 N/A ALA 196.A N HIS 191.A O no hydrogen 3.329 N/A ILE 197.A N LEU 192.A O no hydrogen 2.977 N/A GLU 199.A N VAL 195.A O no hydrogen 2.623 N/A ALA 200.A N ALA 196.A O no hydrogen 2.887 N/A ARG 201.A N ILE 197.A O no hydrogen 3.020 N/A ARG 201.A NE ASP 236.A OD1 no hydrogen 3.208 N/A ARG 201.A NE ASP 236.A OD2 no hydrogen 2.665 N/A ARG 201.A NH1 ALA 251.A O no hydrogen 2.907 N/A ARG 201.A NH2 ALA 251.A O no hydrogen 2.566 N/A ASN 209.A ND2 HIS 204.A NE2 no hydrogen 3.107 N/A PHE 224.A N LEU 220.A O no hydrogen 3.173 N/A PHE 224.A N MET 221.A O no hydrogen 2.927 N/A THR 225.A N MET 221.A O no hydrogen 2.790 N/A THR 225.A OG1 MET 221.A O no hydrogen 2.940 N/A TRP 228.A NE1 PHE 223.A O no hydrogen 3.136 N/A TYR 231.A N TRP 228.A O no hydrogen 2.914 N/A TYR 231.A OH GLY 219.A O no hydrogen 2.357 N/A ALA 232.A N GLY 229.A O no hydrogen 2.913 N/A ALA 233.A N VAL 230.A O no hydrogen 3.150 N/A THR 237.A N GLY 247.A O no hydrogen 3.161 N/A THR 237.A OG1 GLY 247.A O no hydrogen 2.791 N/A HIS 240.A N THR 237.A O no hydrogen 3.341 N/A HIS 240.A ND1 GLU 246.A O no hydrogen 2.611 N/A ILE 241.A N GLU 246.A O no hydrogen 3.384 N/A PHE 242.A N GLN 262.A OE1 no hydrogen 2.863 N/A GLY 243.A N ALA 200.A O no hydrogen 2.694 N/A THR 244.A N ILE 241.A O no hydrogen 3.311 N/A THR 244.A OG1 ILE 241.A O no hydrogen 3.105 N/A GLU 246.A N THR 244.A OG1 no hydrogen 3.381 N/A GLY 249.A N ASP 236.A OD1 no hydrogen 3.169 N/A THR 250.A N ASP 234.A O no hydrogen 3.090 N/A THR 250.A OG1 ASP 234.A OD1 no hydrogen 3.068 N/A ALA 251.A N ASP 234.A O no hydrogen 3.006 N/A ILE 252.A N TYR 231.A O no hydrogen 3.145 N/A LEU 253.A N TYR 231.A O no hydrogen 2.871 N/A LEU 256.A N ASP 270.A OD1 no hydrogen 3.475 N/A GLY 257.A N ASP 270.A OD1 no hydrogen 3.415 N/A HIS 260.A N SER 265.A O no hydrogen 3.052 N/A GLN 262.A N HIS 260.A ND1 no hydrogen 3.102 N/A THR 263.A OG1 SER 265.A OG no hydrogen 2.719 N/A GLU 264.A N HIS 260.A O no hydrogen 2.961 N/A SER 265.A N THR 263.A OG1 no hydrogen 3.258 N/A SER 265.A OG THR 263.A OG1 no hydrogen 2.719 N/A SER 265.A OG LEU 266.A O no hydrogen 3.404 N/A LEU 266.A N PRO 352.A O no hydrogen 2.631 N/A THR 269.A OG1 ALA 251.A O no hydrogen 3.406 N/A ILE 271.A N TRP 267.A O no hydrogen 2.869 N/A ALA 272.A N LEU 268.A O no hydrogen 2.962 N/A HIS 273.A N THR 269.A O no hydrogen 2.945 N/A HIS 273.A ND1 THR 254.A O no hydrogen 3.171 N/A HIS 274.A N ASP 270.A O no hydrogen 2.969 N/A HIS 275.A N ILE 271.A O no hydrogen 2.854 N/A LEU 276.A N ALA 272.A O no hydrogen 2.924 N/A ALA 277.A N HIS 273.A O no hydrogen 3.042 N/A ILE 278.A N HIS 274.A O no hydrogen 2.866 N/A ALA 279.A N HIS 275.A O no hydrogen 2.875 N/A VAL 280.A N LEU 276.A O no hydrogen 2.960 N/A ILE 281.A N ALA 277.A O no hydrogen 3.000 N/A PHE 282.A N ILE 278.A O no hydrogen 2.856 N/A ILE 283.A N ALA 279.A O no hydrogen 2.869 N/A ILE 284.A N VAL 280.A O no hydrogen 2.936 N/A ALA 285.A N ILE 281.A O no hydrogen 2.883 N/A GLY 286.A N PHE 282.A O no hydrogen 3.159 N/A GLY 286.A N ILE 283.A O no hydrogen 3.329 N/A HIS 287.A N ILE 284.A O no hydrogen 3.312 N/A ARG 290.A N HIS 297.A O no hydrogen 2.588 N/A ARG 290.A NE GLY 296.A O no hydrogen 2.458 N/A ARG 290.A NH2 GLY 296.A O no hydrogen 3.101 N/A ASN 292.A ND2 ASN 292.A O no hydrogen 2.776 N/A HIS 297.A N MET 288.A O no hydrogen 3.200 N/A HIS 297.A ND1 MET 288.A O no hydrogen 2.742 N/A ILE 299.A N GLU 170.A OE2 no hydrogen 2.978 N/A LYS 300.A NZ ASN 304.A OD1 no hydrogen 3.426 N/A LYS 300.A NZ ASP 320.A OD2 no hydrogen 3.298 N/A GLU 301.A N SER 298.A O no hydrogen 3.061 N/A ILE 302.A N SER 298.A O no hydrogen 3.453 N/A LEU 303.A N ILE 299.A O no hydrogen 2.949 N/A ASN 304.A N LYS 300.A O no hydrogen 2.874 N/A ALA 305.A N GLU 301.A O no hydrogen 2.916 N/A HIS 306.A ND1 ILE 302.A O no hydrogen 2.414 N/A LYS 307.A NZ ASN 304.A O no hydrogen 2.410 N/A ALA 313.A N ASP 401.A O no hydrogen 2.597 N/A HIS 315.A N HIS 306.A O no hydrogen 3.216 N/A THR 316.A N ALA 313.A O no hydrogen 3.318 N/A THR 316.A OG1 ALA 313.A O no hydrogen 2.572 N/A TYR 319.A OH GLU 170.A OE1 no hydrogen 3.359 N/A TYR 319.A OH GLU 170.A OE2 no hydrogen 3.307 N/A THR 321.A N ASN 317.A O no hydrogen 3.304 N/A THR 321.A OG1 ASN 317.A O no hydrogen 2.466 N/A THR 321.A OG1 ASN 399.A OD1 no hydrogen 2.395 N/A ILE 322.A N LEU 318.A O no hydrogen 2.888 N/A ASN 323.A N TYR 319.A O no hydrogen 2.887 N/A ASN 323.A ND2 LYS 167.A O no hydrogen 3.380 N/A ASN 324.A N ASP 320.A O no hydrogen 3.279 N/A ASN 324.A ND2 ASP 320.A O no hydrogen 2.591 N/A SER 325.A N ILE 322.A O no hydrogen 3.293 N/A SER 325.A OG ASP 393.A OD2 no hydrogen 2.800 N/A HIS 327.A ND1 HIS 385.A ND1 no hydrogen 3.077 N/A HIS 327.A NE2 GLU 30.A OE2 no hydrogen 2.628 N/A PHE 328.A N SER 325.A OG no hydrogen 2.916 N/A GLN 329.A N SER 325.A O no hydrogen 3.302 N/A LEU 330.A N LEU 326.A O no hydrogen 2.876 N/A GLY 331.A N HIS 327.A O no hydrogen 2.858 N/A LEU 332.A N PHE 328.A O no hydrogen 2.980 N/A ALA 333.A N GLN 329.A O no hydrogen 2.926 N/A LEU 334.A N LEU 330.A O no hydrogen 2.839 N/A ALA 335.A N GLY 331.A O no hydrogen 2.950 N/A SER 336.A N LEU 332.A O no hydrogen 2.978 N/A SER 336.A OG LEU 332.A O no hydrogen 2.865 N/A LEU 337.A N ALA 333.A O no hydrogen 2.896 N/A GLY 338.A N LEU 334.A O no hydrogen 2.869 N/A VAL 339.A N ALA 335.A O no hydrogen 2.981 N/A ILE 340.A N SER 336.A O no hydrogen 2.954 N/A THR 341.A N LEU 337.A O no hydrogen 2.824 N/A THR 341.A OG1 LEU 337.A O no hydrogen 2.246 N/A SER 342.A N GLY 338.A O no hydrogen 2.976 N/A SER 342.A OG GLN 372.A OE1 no hydrogen 2.901 N/A LEU 343.A N VAL 339.A O no hydrogen 2.936 N/A VAL 344.A N ILE 340.A O no hydrogen 2.842 N/A ALA 345.A N THR 341.A O no hydrogen 2.963 N/A GLN 346.A N SER 342.A O no hydrogen 2.896 N/A HIS 347.A N LEU 343.A O no hydrogen 2.890 N/A MET 348.A N VAL 344.A O no hydrogen 2.957 N/A SER 350.A OG SER 502.A O no hydrogen 3.085 N/A LEU 351.A N HIS 347.A O no hydrogen 2.643 N/A ALA 355.A N THR 124.A OG1 no hydrogen 2.857 N/A PHE 356.A N THR 263.A O no hydrogen 3.314 N/A ILE 357.A N TYR 354.A O no hydrogen 3.169 N/A ASP 360.A N ILE 357.A O no hydrogen 3.238 N/A GLN 364.A N ASP 360.A O no hydrogen 3.100 N/A GLN 364.A NE2 MET 348.A O no hydrogen 3.221 N/A ALA 365.A N HIS 361.A O no hydrogen 2.939 N/A ALA 366.A N THR 362.A O no hydrogen 2.906 N/A LEU 367.A N THR 363.A O no hydrogen 2.917 N/A TYR 368.A N GLN 364.A O no hydrogen 2.974 N/A THR 369.A N ALA 365.A O no hydrogen 2.961 N/A THR 369.A OG1 ALA 365.A O no hydrogen 2.694 N/A HIS 370.A N ALA 366.A O no hydrogen 2.883 N/A HIS 371.A N LEU 367.A O no hydrogen 2.999 N/A GLN 372.A N TYR 368.A O no hydrogen 2.991 N/A GLN 372.A NE2 TYR 368.A OH no hydrogen 3.003 N/A TYR 373.A N THR 369.A O no hydrogen 2.942 N/A ILE 374.A N HIS 370.A O no hydrogen 2.937 N/A ALA 375.A N HIS 371.A O no hydrogen 2.898 N/A GLY 376.A N GLN 372.A O no hydrogen 2.967 N/A PHE 377.A N TYR 373.A O no hydrogen 3.042 N/A LEU 378.A N ILE 374.A O no hydrogen 2.924 N/A MET 379.A N ALA 375.A O no hydrogen 2.970 N/A VAL 380.A N GLY 376.A O no hydrogen 3.065 N/A GLY 381.A N PHE 377.A O no hydrogen 2.939 N/A ALA 382.A N LEU 378.A O no hydrogen 2.892 N/A PHE 383.A N MET 379.A O no hydrogen 3.106 N/A ALA 384.A N VAL 380.A O no hydrogen 2.905 N/A HIS 385.A N GLY 381.A O no hydrogen 2.874 N/A HIS 385.A ND1 HIS 327.A ND1 no hydrogen 3.077 N/A GLY 386.A N ALA 382.A O no hydrogen 2.942 N/A ALA 387.A N PHE 383.A O no hydrogen 3.015 N/A ILE 388.A N ALA 384.A O no hydrogen 2.928 N/A PHE 389.A N HIS 385.A O no hydrogen 2.862 N/A PHE 390.A N GLY 386.A O no hydrogen 2.973 N/A VAL 391.A N ALA 387.A O no hydrogen 2.927 N/A ARG 392.A N ILE 388.A O no hydrogen 2.892 N/A ARG 392.A NH1 ASP 28.A OD1 no hydrogen 3.067 N/A ARG 392.A NH2 ASP 28.A OD2 no hydrogen 2.926 N/A ASP 393.A N PHE 389.A O no hydrogen 2.775 N/A VAL 397.A N ASP 395.A OD1 no hydrogen 3.356 N/A ASN 399.A N ASP 395.A O no hydrogen 3.077 N/A ASN 399.A ND2 ASP 395.A O no hydrogen 2.699 N/A LYS 400.A N VAL 397.A O no hydrogen 3.344 N/A ASN 402.A ND2 THR 316.A O no hydrogen 2.725 N/A ASN 402.A ND2 ASN 399.A OD1 no hydrogen 3.442 N/A VAL 403.A N GLY 314.A O no hydrogen 3.209 N/A LEU 404.A N ASN 402.A OD1 no hydrogen 2.886 N/A ARG 406.A N ASN 402.A O no hydrogen 3.029 N/A ARG 406.A NE ASP 401.A OD2 no hydrogen 3.507 N/A MET 407.A N VAL 403.A O no hydrogen 2.920 N/A LEU 408.A N LEU 404.A O no hydrogen 2.978 N/A GLU 409.A N ALA 405.A O no hydrogen 2.893 N/A HIS 410.A N ARG 406.A O no hydrogen 3.209 N/A LYS 411.A NZ GLU 412.A OE2 no hydrogen 2.974 N/A GLU 412.A N GLU 412.A OE1 no hydrogen 2.811 N/A ALA 413.A N HIS 410.A O no hydrogen 3.006 N/A LEU 414.A N HIS 410.A O no hydrogen 3.367 N/A ILE 415.A N LYS 411.A O no hydrogen 3.002 N/A SER 416.A N GLU 412.A O no hydrogen 2.883 N/A SER 416.A OG GLU 412.A O no hydrogen 3.211 N/A SER 416.A OG ALA 413.A O no hydrogen 3.120 N/A SER 416.A OG HIS 417.A ND1 no hydrogen 3.392 N/A HIS 417.A N ALA 413.A O no hydrogen 2.929 N/A HIS 417.A ND1 ALA 413.A O no hydrogen 2.765 N/A LEU 418.A N LEU 414.A O no hydrogen 2.976 N/A SER 419.A N ILE 415.A O no hydrogen 2.916 N/A TRP 420.A N SER 416.A O no hydrogen 2.886 N/A VAL 421.A N HIS 417.A O no hydrogen 2.986 N/A SER 422.A N LEU 418.A O no hydrogen 2.933 N/A SER 422.A OG LEU 418.A O no hydrogen 3.245 N/A SER 422.A OG THR 524.A OG1 no hydrogen 3.183 N/A LEU 423.A N SER 419.A O no hydrogen 2.941 N/A PHE 424.A N TRP 420.A O no hydrogen 2.899 N/A LEU 425.A N VAL 421.A O no hydrogen 2.950 N/A GLY 426.A N SER 422.A O no hydrogen 2.933 N/A PHE 427.A N LEU 423.A O no hydrogen 2.892 N/A HIS 428.A N PHE 424.A O no hydrogen 3.069 N/A HIS 428.A ND1 PHE 424.A O no hydrogen 2.989 N/A THR 429.A N LEU 425.A O no hydrogen 2.931 N/A THR 429.A OG1 LEU 425.A O no hydrogen 2.565 N/A LEU 430.A N GLY 426.A O no hydrogen 2.959 N/A GLY 431.A N PHE 427.A O no hydrogen 2.893 N/A LEU 432.A N HIS 428.A O no hydrogen 2.954 N/A TYR 433.A N THR 429.A O no hydrogen 2.966 N/A VAL 434.A N LEU 430.A O no hydrogen 2.890 N/A HIS 435.A N GLY 431.A O no hydrogen 2.907 N/A HIS 435.A NE2 LYS 447.A O no hydrogen 2.969 N/A ASN 436.A N LEU 432.A O no hydrogen 2.946 N/A ASN 436.A ND2 ILE 449.A O no hydrogen 3.515 N/A ASN 436.A ND2 THR 609.A O no hydrogen 2.718 N/A ASP 437.A N TYR 433.A O no hydrogen 2.928 N/A VAL 438.A N VAL 434.A O no hydrogen 2.898 N/A VAL 439.A N HIS 435.A O no hydrogen 2.981 N/A VAL 440.A N ASN 436.A O no hydrogen 2.920 N/A ALA 441.A N ASP 437.A O no hydrogen 2.937 N/A PHE 442.A N VAL 438.A O no hydrogen 3.049 N/A GLY 443.A N VAL 440.A O no hydrogen 3.151 N/A THR 444.A N VAL 439.A O no hydrogen 3.274 N/A THR 444.A OG1 GLU 446.A OE2 no hydrogen 2.555 N/A GLN 448.A NE2 PRO 445.A O no hydrogen 3.079 N/A ILE 449.A N ASN 436.A OD1 no hydrogen 3.081 N/A GLN 457.A N PRO 453.A O no hydrogen 2.809 N/A GLN 457.A NE2 GLU 452.A OE1 no hydrogen 2.996 N/A GLN 457.A NE2 ILE 507.A O no hydrogen 2.962 N/A TRP 458.A N VAL 454.A O no hydrogen 2.858 N/A ILE 459.A N PHE 455.A O no hydrogen 2.906 N/A GLN 460.A N ALA 456.A O no hydrogen 2.910 N/A GLN 460.A NE2 LEU 505.A O no hydrogen 2.657 N/A ALA 461.A N GLN 457.A O no hydrogen 2.851 N/A THR 462.A N TRP 458.A O no hydrogen 2.879 N/A THR 462.A OG1 TRP 458.A O no hydrogen 3.118 N/A THR 462.A OG1 ILE 459.A O no hydrogen 3.249 N/A GLY 464.A N ALA 461.A O no hydrogen 3.434 N/A LYS 465.A NZ PHE 504.A O no hydrogen 2.445 N/A LYS 465.A NZ THR 506.A OG1 no hydrogen 3.314 N/A ALA 466.A N ASN 497.A OD1 no hydrogen 2.852 N/A TYR 468.A OH GLN 460.A OE1 no hydrogen 2.369 N/A VAL 472.A N SER 475.A OG no hydrogen 2.805 N/A SER 475.A OG VAL 472.A O no hydrogen 2.928 N/A ASN 476.A ND2 ASP 478.A OD1 no hydrogen 2.640 N/A ASN 476.A ND2 SER 479.A OG no hydrogen 2.653 N/A SER 479.A OG LEU 473.A O no hydrogen 3.304 N/A SER 482.A OG ASN 476.A O no hydrogen 3.274 N/A SER 482.A OG PRO 477.A O no hydrogen 3.368 N/A SER 482.A OG SER 479.A O no hydrogen 2.553 N/A THR 483.A N SER 479.A O no hydrogen 3.318 N/A THR 483.A OG1 THR 483.A O no hydrogen 2.427 N/A THR 484.A OG1 ALA 481.A O no hydrogen 2.965 N/A LEU 489.A N ALA 486.A O no hydrogen 2.764 N/A TRP 492.A N TRP 488.A O no hydrogen 2.859 N/A TRP 492.A NE1 SER 463.A O no hydrogen 2.340 N/A LEU 493.A N LEU 489.A O no hydrogen 2.881 N/A ASP 494.A N PRO 490.A O no hydrogen 2.951 N/A ALA 495.A N GLY 491.A O no hydrogen 2.866 N/A ILE 496.A N TRP 492.A O no hydrogen 2.887 N/A ASN 497.A N LEU 493.A O no hydrogen 2.920 N/A ASN 497.A ND2 GLY 464.A O no hydrogen 3.087 N/A ASN 497.A ND2 LEU 493.A O no hydrogen 2.414 N/A SER 498.A N ASP 494.A O no hydrogen 3.060 N/A SER 498.A OG ASP 494.A O no hydrogen 2.700 N/A SER 498.A OG ALA 495.A O no hydrogen 3.556 N/A ASN 501.A ND2 GLU 264.A OE2 no hydrogen 2.765 N/A SER 502.A OG HIS 593.A NE2 no hydrogen 3.016 N/A GLY 508.A N ASP 511.A OD2 no hydrogen 3.160 N/A PHE 512.A N GLY 508.A O no hydrogen 3.274 N/A LEU 513.A N PRO 509.A O no hydrogen 2.940 N/A VAL 514.A N GLY 510.A O no hydrogen 2.985 N/A HIS 515.A N ASP 511.A O no hydrogen 2.852 N/A HIS 515.A ND1 ASP 511.A O no hydrogen 2.499 N/A HIS 516.A N PHE 512.A O no hydrogen 3.022 N/A ALA 517.A N LEU 513.A O no hydrogen 2.979 N/A ILE 518.A N VAL 514.A O no hydrogen 2.872 N/A ALA 519.A N HIS 515.A O no hydrogen 2.854 N/A LEU 520.A N HIS 516.A O no hydrogen 2.900 N/A GLY 521.A N ALA 517.A O no hydrogen 2.952 N/A LEU 522.A N ILE 518.A O no hydrogen 2.932 N/A HIS 523.A N ALA 519.A O no hydrogen 2.899 N/A THR 524.A N LEU 520.A O no hydrogen 2.905 N/A THR 524.A OG1 SER 422.A OG no hydrogen 3.183 N/A THR 524.A OG1 LEU 520.A O no hydrogen 2.613 N/A THR 525.A N GLY 521.A O no hydrogen 2.970 N/A THR 525.A OG1 GLY 521.A O no hydrogen 2.617 N/A ALA 526.A N LEU 522.A O no hydrogen 2.971 N/A LEU 527.A N HIS 523.A O no hydrogen 2.853 N/A ILE 528.A N THR 524.A O no hydrogen 2.985 N/A LEU 529.A N THR 525.A O no hydrogen 3.008 N/A ILE 530.A N ALA 526.A O no hydrogen 2.823 N/A LYS 531.A N LEU 527.A O no hydrogen 2.934 N/A GLY 532.A N ILE 528.A O no hydrogen 2.983 N/A ALA 533.A N LEU 529.A O no hydrogen 2.915 N/A LEU 534.A N ILE 530.A O no hydrogen 2.907 N/A ASP 535.A N LYS 531.A O no hydrogen 2.919 N/A SER 539.A N MET 542.A O no hydrogen 2.977 N/A LYS 545.A NZ ASP 535.A O no hydrogen 2.647 N/A LYS 545.A NZ ILE 565.A O no hydrogen 3.403 N/A LYS 546.A N ARG 537.A O no hydrogen 3.087 N/A ASP 547.A N ASP 544.A O no hydrogen 3.070 N/A PHE 548.A N LYS 545.A O no hydrogen 3.079 N/A GLY 549.A N LYS 545.A O no hydrogen 3.266 N/A ASP 555.A N THR 562.A OG1 no hydrogen 3.009 N/A ARG 559.A NE LEU 541.A O no hydrogen 3.116 N/A ARG 559.A NH1 ASP 555.A OD2 no hydrogen 2.771 N/A ARG 559.A NH2 LEU 541.A O no hydrogen 2.993 N/A ARG 559.A NH2 ASP 555.A OD2 no hydrogen 2.582 N/A GLY 561.A N GLY 558.A O no hydrogen 3.215 N/A THR 562.A N GLY 556.A O no hydrogen 3.197 N/A THR 562.A OG1 GLY 556.A O no hydrogen 2.643 N/A SER 566.A N ASP 569.A OD2 no hydrogen 3.254 N/A SER 566.A OG PHE 552.A O no hydrogen 3.378 N/A SER 566.A OG ASP 569.A OD2 no hydrogen 2.375 N/A TRP 568.A N TYR 550.A O no hydrogen 3.462 N/A ASP 569.A N SER 566.A OG no hydrogen 3.276 N/A ALA 570.A N SER 566.A O no hydrogen 3.315 N/A PHE 571.A N ALA 567.A O no hydrogen 2.979 N/A TYR 572.A N TRP 568.A O no hydrogen 2.923 N/A LEU 573.A N ASP 569.A O no hydrogen 2.858 N/A ALA 574.A N ALA 570.A O no hydrogen 2.911 N/A MET 575.A N PHE 571.A O no hydrogen 2.953 N/A PHE 576.A N LEU 573.A O no hydrogen 3.248 N/A MET 578.A N ALA 574.A O no hydrogen 2.837 N/A LEU 579.A N MET 575.A O no hydrogen 2.932 N/A ASN 580.A N PHE 576.A O no hydrogen 2.908 N/A THR 581.A N TRP 577.A O no hydrogen 2.909 N/A THR 581.A OG1 TRP 577.A O no hydrogen 2.604 N/A LEU 582.A N MET 578.A O no hydrogen 2.905 N/A GLY 583.A N LEU 579.A O no hydrogen 2.826 N/A TRP 584.A N ASN 580.A O no hydrogen 2.942 N/A LEU 585.A N THR 581.A O no hydrogen 2.952 N/A THR 586.A N LEU 582.A O no hydrogen 2.897 N/A THR 586.A OG1 LEU 582.A O no hydrogen 2.519 N/A THR 586.A OG1 GLY 583.A O no hydrogen 3.038 N/A PHE 587.A N GLY 583.A O no hydrogen 2.870 N/A TYR 588.A N TRP 584.A O no hydrogen 3.002 N/A TYR 588.A OH ASP 511.A OD1 no hydrogen 2.325 N/A TRP 589.A N LEU 585.A O no hydrogen 2.886 N/A HIS 590.A N THR 586.A O no hydrogen 2.892 N/A HIS 590.A NE2 THR 724.A OG1 no hydrogen 2.801 N/A TRP 591.A N PHE 587.A O no hydrogen 2.935 N/A LYS 592.A N TYR 588.A O no hydrogen 2.966 N/A LYS 592.A NZ THR 506.A O no hydrogen 3.026 N/A HIS 593.A N TRP 589.A O no hydrogen 2.908 N/A LEU 594.A N HIS 590.A O no hydrogen 2.841 N/A GLY 595.A N TRP 591.A O no hydrogen 2.976 N/A VAL 596.A N LYS 592.A O no hydrogen 2.887 N/A TRP 597.A N HIS 593.A O no hydrogen 2.864 N/A SER 598.A N LEU 594.A O no hydrogen 3.338 N/A SER 598.A OG LEU 594.A O no hydrogen 3.079 N/A GLY 599.A N VAL 596.A O no hydrogen 3.170 N/A ASN 600.A N SER 598.A OG no hydrogen 3.333 N/A ASN 605.A N VAL 601.A O no hydrogen 2.957 N/A GLU 606.A N ALA 602.A O no hydrogen 2.904 N/A SER 608.A N PHE 604.A O no hydrogen 3.135 N/A SER 608.A OG PHE 604.A O no hydrogen 2.451 N/A THR 609.A OG1 GLN 448.A OE1 no hydrogen 3.491 N/A LEU 611.A N ASP 437.A OD2 no hydrogen 2.432 N/A MET 612.A N ASP 437.A OD1 no hydrogen 2.745 N/A GLY 613.A N TYR 610.A O no hydrogen 3.220 N/A TRP 614.A NE1 SER 608.A O no hydrogen 2.679 N/A PHE 615.A N LEU 611.A O no hydrogen 2.911 N/A ARG 616.A N MET 612.A O no hydrogen 2.857 N/A ARG 616.A NE ASP 617.A OD1 no hydrogen 2.624 N/A ARG 616.A NH2 TYR 610.A OH no hydrogen 2.984 N/A ARG 616.A NH2 ASP 617.A OD2 no hydrogen 3.283 N/A ASP 617.A N GLY 613.A O no hydrogen 2.885 N/A TYR 618.A OH HIS 590.A ND1 no hydrogen 3.383 N/A LEU 619.A N TRP 614.A O no hydrogen 3.265 N/A TRP 620.A N PHE 615.A O no hydrogen 3.132 N/A ALA 621.A N ARG 616.A O no hydrogen 3.028 N/A ASN 622.A ND2 TYR 618.A O no hydrogen 2.735 N/A SER 623.A OG LEU 619.A O no hydrogen 2.366 N/A ILE 627.A N SER 623.A O no hydrogen 2.803 N/A ASN 628.A ND2 ALA 624.A O no hydrogen 2.632 N/A GLY 629.A N LEU 626.A O no hydrogen 3.024 N/A ASN 631.A N GLY 634.A O no hydrogen 3.072 N/A TYR 633.A N ASN 631.A OD1 no hydrogen 2.999 N/A GLY 634.A N ASN 631.A O no hydrogen 3.338 N/A ASN 636.A N GLY 629.A O no hydrogen 3.067 N/A ASN 636.A ND2 ASN 628.A O no hydrogen 3.067 N/A ASN 637.A ND2 GLN 104.A OE1 no hydrogen 3.482 N/A LEU 638.A N ASN 636.A OD1 no hydrogen 2.964 N/A SER 639.A N ASN 636.A O no hydrogen 3.272 N/A ALA 642.A N LEU 638.A O no hydrogen 3.054 N/A TRP 643.A N SER 639.A O no hydrogen 2.990 N/A MET 644.A N VAL 640.A O no hydrogen 2.877 N/A PHE 645.A N TRP 641.A O no hydrogen 2.844 N/A LEU 646.A N ALA 642.A O no hydrogen 3.046 N/A PHE 647.A N TRP 643.A O no hydrogen 2.866 N/A GLY 648.A N MET 644.A O no hydrogen 2.834 N/A HIS 649.A N PHE 645.A O no hydrogen 3.055 N/A HIS 649.A ND1 PHE 645.A O no hydrogen 2.780 N/A LEU 650.A N LEU 646.A O no hydrogen 2.945 N/A VAL 651.A N PHE 647.A O no hydrogen 2.926 N/A TRP 652.A N GLY 648.A O no hydrogen 2.972 N/A ALA 653.A N HIS 649.A O no hydrogen 3.026 N/A THR 654.A N LEU 650.A O no hydrogen 2.846 N/A THR 654.A OG1 LEU 650.A O no hydrogen 2.645 N/A GLY 655.A N VAL 651.A O no hydrogen 2.960 N/A PHE 656.A N TRP 652.A O no hydrogen 3.157 N/A MET 657.A N THR 654.A O no hydrogen 3.103 N/A LEU 659.A N GLY 655.A O no hydrogen 2.967 N/A ILE 660.A N PHE 656.A O no hydrogen 2.930 N/A SER 661.A N MET 657.A O no hydrogen 2.987 N/A SER 661.A OG MET 657.A O no hydrogen 2.806 N/A TRP 662.A NE1 LEU 659.A O no hydrogen 3.220 N/A ARG 663.A NE LEU 695.A O no hydrogen 3.102 N/A ARG 663.A NH2 ALA 694.A O no hydrogen 3.304 N/A TRP 666.A NE1 SER 661.A OG no hydrogen 2.700 N/A GLN 667.A N ARG 663.A O no hydrogen 2.949 N/A GLN 667.A NE2 GLU 671.A OE2 no hydrogen 2.902 N/A GLU 668.A N GLY 664.A O no hydrogen 3.021 N/A LEU 669.A N TYR 665.A O no hydrogen 2.986 N/A ILE 670.A N TRP 666.A O no hydrogen 2.868 N/A GLU 671.A N GLN 667.A O no hydrogen 2.947 N/A THR 672.A N GLU 668.A O no hydrogen 3.114 N/A THR 672.A OG1 LEU 669.A O no hydrogen 2.681 N/A ILE 673.A N LEU 669.A O no hydrogen 3.018 N/A VAL 674.A N ILE 670.A O no hydrogen 2.795 N/A TRP 675.A N GLU 671.A O no hydrogen 2.990 N/A ALA 676.A N THR 672.A O no hydrogen 2.966 N/A HIS 677.A N ILE 673.A O no hydrogen 2.983 N/A HIS 677.A NE2 VAL 686.A O no hydrogen 2.757 N/A GLU 678.A N VAL 674.A O no hydrogen 2.974 N/A ARG 679.A N ALA 676.A O no hydrogen 3.420 N/A THR 680.A N HIS 677.A O no hydrogen 3.493 N/A THR 680.A OG1 ALA 676.A O no hydrogen 2.464 N/A ALA 683.A N THR 680.A O no hydrogen 3.333 N/A VAL 686.A N ALA 683.A O no hydrogen 3.209 N/A LYS 691.A N PRO 14.A O no hydrogen 2.824 N/A ALA 694.A N GLN 667.A OE1 no hydrogen 2.856 N/A SER 696.A N GLN 699.A OE1 no hydrogen 3.382 N/A SER 696.A OG TYR 21.A OH no hydrogen 2.674 N/A GLN 699.A N SER 696.A OG no hydrogen 3.000 N/A ALA 700.A N SER 696.A O no hydrogen 2.590 N/A ARG 701.A N ILE 697.A O no hydrogen 3.014 N/A ARG 701.A NH1 PRO 553.A O no hydrogen 3.070 N/A ARG 701.A NH2 PRO 553.A O no hydrogen 3.244 N/A LEU 702.A N VAL 698.A O no hydrogen 2.880 N/A VAL 703.A N GLN 699.A O no hydrogen 2.832 N/A GLY 704.A N ALA 700.A O no hydrogen 2.965 N/A LEU 705.A N ARG 701.A O no hydrogen 2.920 N/A ALA 706.A N LEU 702.A O no hydrogen 2.850 N/A HIS 707.A N VAL 703.A O no hydrogen 3.001 N/A HIS 707.A ND1 VAL 703.A O no hydrogen 2.535 N/A PHE 708.A N GLY 704.A O no hydrogen 2.884 N/A THR 709.A N LEU 705.A O no hydrogen 2.876 N/A THR 709.A OG1 LEU 705.A O no hydrogen 2.656 N/A VAL 710.A N ALA 706.A O no hydrogen 2.914 N/A GLY 711.A N HIS 707.A O no hydrogen 2.884 N/A TYR 712.A N PHE 708.A O no hydrogen 2.899 N/A TYR 712.A OH LEU 579.A O no hydrogen 2.442 N/A VAL 713.A N THR 709.A O no hydrogen 2.929 N/A LEU 714.A N VAL 710.A O no hydrogen 2.920 N/A THR 715.A N GLY 711.A O no hydrogen 2.893 N/A THR 715.A OG1 GLY 711.A O no hydrogen 2.375 N/A TYR 716.A N TYR 712.A O no hydrogen 3.051 N/A TYR 716.A OH TYR 618.A OH no hydrogen 3.238 N/A ALA 717.A N VAL 713.A O no hydrogen 2.888 N/A ALA 718.A N LEU 714.A O no hydrogen 2.941 N/A PHE 719.A N THR 715.A O no hydrogen 3.008 N/A LEU 720.A N TYR 716.A O no hydrogen 2.842 N/A ILE 721.A N ALA 717.A O no hydrogen 2.971 N/A ALA 722.A N ALA 718.A O no hydrogen 2.941 N/A SER 723.A N PHE 719.A O no hydrogen 2.929 N/A SER 723.A OG PHE 719.A O no hydrogen 2.550 N/A SER 723.A OG LEU 720.A O no hydrogen 3.048 N/A THR 724.A N LEU 720.A O no hydrogen 3.024 N/A THR 724.A OG1 HIS 590.A NE2 no hydrogen 2.801 N/A THR 724.A OG1 LEU 720.A O no hydrogen 2.556 N/A ALA 725.A N ILE 721.A O no hydrogen 2.879 N/A GLY 726.A N ALA 722.A O no hydrogen 2.885 N/A LYS 727.A N SER 723.A O no hydrogen 2.959 N/A LYS 727.A NZ ASN 622.A OD1 no hydrogen 3.491 N/A PHE 728.A N THR 724.A O no hydrogen 2.956 N/A GLY 729.A N THR 724.A O no hydrogen 3.094 N/A