Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jw0_a.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 1.A O no hydrogen 2.947 N/A ALA 6.A N SER 3.A O no hydrogen 3.169 N/A GLY 8.A N ALA 5.A O no hydrogen 3.006 N/A THR 11.A N PHE 7.A O no hydrogen 2.930 N/A THR 11.A OG1 PHE 7.A O no hydrogen 3.175 N/A GLY 12.A N GLY 8.A O no hydrogen 2.896 N/A LEU 13.A N SER 9.A O no hydrogen 2.876 N/A VAL 14.A N ALA 10.A O no hydrogen 2.936 N/A SER 19.A N LYS 16.A O no hydrogen 3.148 N/A GLN 20.A N ALA 17.A O no hydrogen 3.220 N/A GLN 20.A NE2 VAL 14.A O no hydrogen 3.115 N/A THR 22.A N GLN 608.A O no hydrogen 3.258 N/A THR 22.A OG1 ARG 610.A O no hydrogen 2.756 N/A ALA 24.A N THR 21.A O no hydrogen 2.966 N/A ALA 24.A N THR 21.A OG1 no hydrogen 3.340 N/A TRP 26.A N THR 22.A O no hydrogen 2.962 N/A ASN 27.A N THR 23.A O no hydrogen 2.859 N/A LEU 28.A N ALA 24.A O no hydrogen 2.853 N/A HIS 29.A N ILE 25.A O no hydrogen 2.980 N/A HIS 29.A ND1 ILE 25.A O no hydrogen 2.923 N/A ALA 30.A N TRP 26.A O no hydrogen 2.865 N/A ASP 31.A N ASN 27.A O no hydrogen 2.747 N/A ALA 32.A N HIS 29.A O no hydrogen 3.260 N/A PHE 35.A N HIS 33.A O no hydrogen 2.695 N/A LEU 41.A N SER 38.A O no hydrogen 3.347 N/A LYS 43.A NZ HIS 143.A O no hydrogen 2.353 N/A LYS 43.A NZ MET 144.A O no hydrogen 3.440 N/A GLN 44.A N TYR 40.A O no hydrogen 2.991 N/A VAL 45.A N LEU 41.A O no hydrogen 2.905 N/A PHE 46.A N SER 42.A O no hydrogen 2.926 N/A ALA 47.A N LYS 43.A O no hydrogen 2.910 N/A ALA 48.A N GLN 44.A O no hydrogen 2.908 N/A ASN 49.A N VAL 45.A O no hydrogen 2.917 N/A LEU 50.A N PHE 46.A O no hydrogen 2.935 N/A ALA 51.A N ALA 47.A O no hydrogen 2.885 N/A HIS 52.A N ALA 48.A O no hydrogen 2.916 N/A ILE 53.A N ASN 49.A O no hydrogen 2.920 N/A GLY 54.A N LEU 50.A O no hydrogen 2.934 N/A VAL 55.A N ALA 51.A O no hydrogen 2.924 N/A VAL 56.A N HIS 52.A O no hydrogen 2.909 N/A PHE 57.A N ILE 53.A O no hydrogen 2.897 N/A ILE 58.A N GLY 54.A O no hydrogen 2.908 N/A TRP 59.A N VAL 55.A O no hydrogen 2.963 N/A LEU 60.A N VAL 56.A O no hydrogen 2.883 N/A SER 61.A N PHE 57.A O no hydrogen 2.881 N/A SER 61.A OG ALA 126.A O no hydrogen 2.471 N/A GLY 62.A N ILE 58.A O no hydrogen 2.906 N/A MET 63.A N TRP 59.A O no hydrogen 2.934 N/A HIS 64.A N LEU 60.A O no hydrogen 2.936 N/A HIS 64.A ND1 LEU 60.A O no hydrogen 2.722 N/A PHE 65.A N SER 61.A O no hydrogen 2.849 N/A HIS 66.A N GLY 62.A O no hydrogen 2.905 N/A HIS 66.A ND1 GLY 62.A O no hydrogen 2.562 N/A GLY 67.A N MET 63.A O no hydrogen 2.935 N/A ALA 68.A N HIS 64.A O no hydrogen 2.877 N/A TYR 69.A N PHE 65.A O no hydrogen 2.905 N/A PHE 70.A N HIS 66.A O no hydrogen 2.783 N/A SER 71.A OG GLY 67.A O no hydrogen 2.266 N/A ASN 72.A N THR 85.A O no hydrogen 3.181 N/A ASN 72.A ND2 ALA 83.A O no hydrogen 3.178 N/A TYR 73.A OH ILE 116.A O no hydrogen 2.613 N/A TRP 76.A N ASN 72.A O no hydrogen 2.930 N/A LEU 77.A N TYR 73.A O no hydrogen 2.874 N/A GLN 78.A N LEU 74.A O no hydrogen 2.943 N/A ASP 79.A N ASP 75.A O no hydrogen 2.895 N/A ASP 79.A N TRP 76.A O no hydrogen 3.249 N/A SER 81.A N ASP 79.A OD1 no hydrogen 3.300 N/A SER 81.A OG ASP 79.A OD1 no hydrogen 2.533 N/A SER 81.A OG ASP 79.A OD2 no hydrogen 3.125 N/A ILE 82.A N ASP 79.A O no hydrogen 3.259 N/A THR 85.A N ASN 72.A OD1 no hydrogen 3.020 N/A THR 85.A OG1 ASN 72.A OD1 no hydrogen 3.068 N/A VAL 89.A N ASN 99.A OD1 no hydrogen 3.037 N/A ILE 92.A N SER 90.A O no hydrogen 2.984 N/A GLN 95.A N ILE 92.A O no hydrogen 3.169 N/A GLN 95.A NE2 SER 90.A O no hydrogen 2.577 N/A LEU 98.A N GLN 95.A O no hydrogen 3.283 N/A ARG 102.A NH1 ALA 645.A O no hydrogen 3.531 N/A ARG 102.A NH2 ASP 304.A OD1 no hydrogen 2.828 N/A THR 104.A OG1 SER 310.A OG no hydrogen 2.726 N/A ASN 109.A ND2 PRO 299.A O no hydrogen 2.709 N/A LEU 110.A N GLY 106.A O no hydrogen 2.963 N/A TRP 111.A N PHE 107.A O no hydrogen 2.855 N/A TRP 111.A NE1 HIS 64.A NE2 no hydrogen 3.061 N/A LEU 112.A N PHE 108.A O no hydrogen 2.929 N/A ALA 113.A N ASN 109.A O no hydrogen 2.906 N/A GLU 114.A N TRP 111.A O no hydrogen 2.953 N/A GLY 115.A N LEU 112.A O no hydrogen 3.255 N/A ILE 116.A N TRP 111.A O no hydrogen 2.992 N/A THR 117.A N GLN 121.A OE1 no hydrogen 2.772 N/A SER 118.A N GLN 121.A OE1 no hydrogen 2.921 N/A TYR 120.A N SER 118.A OG no hydrogen 3.197 N/A GLN 121.A N SER 118.A O no hydrogen 3.076 N/A LYS 123.A N THR 119.A O no hydrogen 2.906 N/A VAL 124.A N TYR 120.A O no hydrogen 2.901 N/A ILE 125.A N GLN 121.A O no hydrogen 2.890 N/A ALA 126.A N LEU 122.A O no hydrogen 2.884 N/A ALA 127.A N LYS 123.A O no hydrogen 2.923 N/A PHE 128.A N VAL 124.A O no hydrogen 2.883 N/A GLY 129.A N ILE 125.A O no hydrogen 2.814 N/A LEU 130.A N ALA 126.A O no hydrogen 2.939 N/A ILE 131.A N ALA 127.A O no hydrogen 2.923 N/A ALA 132.A N PHE 128.A O no hydrogen 2.831 N/A SER 133.A N GLY 129.A O no hydrogen 2.864 N/A SER 133.A OG GLY 54.A O no hydrogen 3.000 N/A ALA 134.A N LEU 130.A O no hydrogen 2.903 N/A LEU 135.A N ILE 131.A O no hydrogen 2.899 N/A CYS 136.A N ALA 132.A O no hydrogen 2.852 N/A CYS 136.A SG ALA 132.A O no hydrogen 3.216 N/A PHE 137.A N SER 133.A O no hydrogen 2.892 N/A LEU 138.A N ALA 134.A O no hydrogen 2.888 N/A GLY 139.A N LEU 135.A O no hydrogen 2.872 N/A SER 140.A N CYS 136.A O no hydrogen 2.857 N/A SER 140.A OG ALA 47.A O no hydrogen 2.347 N/A TYR 141.A N PHE 137.A O no hydrogen 2.935 N/A PHE 142.A N LEU 138.A O no hydrogen 2.897 N/A HIS 143.A N GLY 139.A O no hydrogen 2.860 N/A MET 144.A N SER 140.A O no hydrogen 2.927 N/A HIS 145.A N TYR 141.A O no hydrogen 2.880 N/A SER 146.A N PHE 142.A O no hydrogen 2.423 N/A SER 147.A OG HIS 143.A ND1 no hydrogen 2.952 N/A THR 148.A N SER 147.A OG no hydrogen 2.712 N/A SER 149.A OG THR 151.A OG1 no hydrogen 2.990 N/A THR 151.A OG1 SER 149.A OG no hydrogen 2.990 N/A VAL 153.A N PHE 150.A O no hydrogen 3.358 N/A THR 156.A N ASN 155.A OD1 no hydrogen 2.635 N/A LYS 157.A N ARG 152.A O no hydrogen 2.369 N/A LEU 161.A N LYS 157.A O no hydrogen 2.951 N/A SER 162.A N LEU 158.A O no hydrogen 2.882 N/A SER 162.A OG LEU 158.A O no hydrogen 2.751 N/A SER 162.A OG THR 159.A O no hydrogen 2.901 N/A THR 163.A N THR 159.A O no hydrogen 2.888 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.652 N/A HIS 164.A N SER 160.A O no hydrogen 2.887 N/A HIS 164.A ND1 SER 160.A O no hydrogen 2.357 N/A HIS 165.A N LEU 161.A O no hydrogen 2.929 N/A LEU 166.A N SER 162.A O no hydrogen 2.862 N/A VAL 167.A N THR 163.A O no hydrogen 2.898 N/A LEU 169.A N HIS 164.A O no hydrogen 3.183 N/A LEU 170.A N HIS 165.A O no hydrogen 2.932 N/A GLY 171.A N LEU 166.A O no hydrogen 3.234 N/A LEU 172.A N VAL 167.A O no hydrogen 3.060 N/A LEU 172.A N GLY 168.A O no hydrogen 2.898 N/A GLY 173.A N LEU 169.A O no hydrogen 2.911 N/A SER 174.A N LEU 170.A O no hydrogen 2.917 N/A SER 174.A OG LEU 170.A O no hydrogen 2.976 N/A SER 174.A OG GLY 171.A O no hydrogen 2.601 N/A LEU 175.A N GLY 171.A O no hydrogen 2.875 N/A ALA 176.A N LEU 172.A O no hydrogen 2.851 N/A TRP 177.A N GLY 173.A O no hydrogen 2.879 N/A ALA 178.A N SER 174.A O no hydrogen 2.876 N/A GLY 179.A N LEU 175.A O no hydrogen 2.915 N/A HIS 180.A N ALA 176.A O no hydrogen 2.884 N/A LEU 181.A N TRP 177.A O no hydrogen 2.854 N/A ILE 182.A N ALA 178.A O no hydrogen 2.925 N/A HIS 183.A N GLY 179.A O no hydrogen 2.932 N/A ILE 184.A N HIS 180.A O no hydrogen 2.888 N/A SER 185.A N HIS 180.A O no hydrogen 3.161 N/A SER 185.A N LEU 181.A O no hydrogen 2.900 N/A SER 185.A OG ALA 113.A O no hydrogen 2.222 N/A LEU 186.A N LEU 181.A O no hydrogen 2.802 N/A VAL 188.A N ILE 184.A O no hydrogen 3.400 N/A ASN 189.A N SER 185.A O no hydrogen 3.389 N/A ASN 189.A ND2 LEU 112.A O no hydrogen 3.225 N/A ASN 189.A ND2 SER 185.A O no hydrogen 2.305 N/A ILE 190.A N LEU 186.A O no hydrogen 2.888 N/A LEU 191.A N PRO 187.A O no hydrogen 2.911 N/A LEU 192.A N VAL 188.A O no hydrogen 2.877 N/A ASN 193.A N ASN 189.A O no hydrogen 2.892 N/A ALA 194.A N ILE 190.A O no hydrogen 2.967 N/A GLY 195.A N LEU 192.A O no hydrogen 3.085 N/A VAL 196.A N LEU 191.A O no hydrogen 3.034 N/A SER 200.A OG HIS 202.A NE2 no hydrogen 2.972 N/A SER 200.A OG SER 203.A OG no hydrogen 3.172 N/A SER 203.A N SER 200.A O no hydrogen 2.985 N/A SER 203.A OG SER 200.A O no hydrogen 2.287 N/A SER 203.A OG SER 200.A OG no hydrogen 3.172 N/A LEU 204.A N PRO 201.A O no hydrogen 3.105 N/A LEU 205.A N HIS 202.A O no hydrogen 2.897 N/A SER 206.A OG SER 203.A O no hydrogen 2.952 N/A SER 207.A OG SER 206.A O no hydrogen 2.362 N/A THR 212.A N ALA 209.A O no hydrogen 2.717 N/A THR 212.A OG1 SER 207.A O no hydrogen 2.277 N/A THR 212.A OG1 ALA 209.A O no hydrogen 3.517 N/A ILE 213.A N ALA 209.A O no hydrogen 2.784 N/A SER 218.A N GLN 216.A OE1 no hydrogen 3.056 N/A SER 220.A N SER 218.A O no hydrogen 2.802 N/A SER 220.A OG PHE 219.A O no hydrogen 2.608 N/A THR 223.A OG1 LEU 222.A O no hydrogen 2.457 N/A SER 224.A N THR 223.A OG1 no hydrogen 2.413 N/A TRP 230.A NE1 LEU 186.A O no hydrogen 3.067 N/A LEU 233.A N TRP 230.A O no hydrogen 3.058 N/A VAL 234.A N TRP 230.A O no hydrogen 3.357 N/A TYR 235.A N GLN 231.A O no hydrogen 2.933 N/A SER 236.A N PRO 232.A O no hydrogen 2.864 N/A ALA 237.A N LEU 233.A O no hydrogen 2.890 N/A MET 238.A N VAL 234.A O no hydrogen 2.963 N/A HIS 239.A N TYR 235.A O no hydrogen 2.859 N/A HIS 240.A N SER 236.A O no hydrogen 2.885 N/A HIS 240.A ND1 SER 236.A O no hydrogen 2.438 N/A PHE 241.A N ALA 237.A O no hydrogen 2.956 N/A ALA 242.A N MET 238.A O no hydrogen 2.931 N/A LEU 243.A N HIS 239.A O no hydrogen 2.839 N/A ALA 244.A N HIS 240.A O no hydrogen 2.884 N/A LEU 245.A N PHE 241.A O no hydrogen 2.973 N/A VAL 246.A N ALA 242.A O no hydrogen 2.903 N/A LEU 247.A N LEU 243.A O no hydrogen 2.879 N/A ILE 248.A N ALA 244.A O no hydrogen 2.948 N/A VAL 249.A N LEU 245.A O no hydrogen 2.926 N/A GLY 250.A N VAL 246.A O no hydrogen 2.855 N/A SER 251.A N LEU 247.A O no hydrogen 2.925 N/A SER 251.A OG LEU 247.A O no hydrogen 2.978 N/A SER 251.A OG ILE 248.A O no hydrogen 2.657 N/A PHE 253.A N VAL 249.A O no hydrogen 3.133 N/A PHE 253.A N GLY 250.A O no hydrogen 3.117 N/A THR 256.A OG1 SER 255.A O no hydrogen 2.421 N/A PHE 264.A N LEU 261.A O no hydrogen 3.454 N/A THR 265.A N ASP 337.A OD1 no hydrogen 3.396 N/A THR 265.A OG1 ASP 337.A OD1 no hydrogen 3.404 N/A SER 268.A OG THR 265.A OG1 no hydrogen 3.212 N/A SER 268.A OG GLY 333.A O no hydrogen 3.168 N/A SER 269.A N THR 265.A O no hydrogen 2.591 N/A SER 269.A OG THR 265.A O no hydrogen 2.548 N/A TRP 270.A N VAL 266.A O no hydrogen 2.892 N/A TRP 270.A NE1 SER 42.A OG no hydrogen 2.887 N/A HIS 271.A N GLY 267.A O no hydrogen 2.945 N/A HIS 271.A ND1 HIS 329.A ND1 no hydrogen 3.152 N/A LEU 272.A N SER 268.A O no hydrogen 2.877 N/A VAL 273.A N SER 269.A O no hydrogen 2.917 N/A LEU 274.A N TRP 270.A O no hydrogen 2.879 N/A GLY 275.A N HIS 271.A O no hydrogen 2.868 N/A VAL 276.A N LEU 272.A O no hydrogen 2.947 N/A GLN 277.A N VAL 273.A O no hydrogen 2.872 N/A LEU 278.A N LEU 274.A O no hydrogen 2.832 N/A PHE 279.A N GLY 275.A O no hydrogen 2.921 N/A VAL 280.A N VAL 276.A O no hydrogen 2.949 N/A THR 281.A N GLN 277.A O no hydrogen 2.871 N/A THR 281.A OG1 GLN 277.A O no hydrogen 2.928 N/A THR 281.A OG1 LEU 278.A O no hydrogen 2.867 N/A GLY 282.A N LEU 278.A O no hydrogen 2.847 N/A THR 283.A N PHE 279.A O no hydrogen 2.954 N/A ALA 284.A N VAL 280.A O no hydrogen 2.886 N/A SER 285.A N THR 281.A O no hydrogen 2.861 N/A SER 285.A OG HIS 315.A O no hydrogen 2.284 N/A VAL 286.A N GLY 282.A O no hydrogen 2.952 N/A LEU 287.A N THR 283.A O no hydrogen 2.889 N/A TYR 288.A N ALA 284.A O no hydrogen 2.868 N/A ALA 289.A N SER 285.A O no hydrogen 2.888 N/A GLN 290.A N VAL 286.A O no hydrogen 2.970 N/A MET 291.A N LEU 287.A O no hydrogen 2.873 N/A SER 292.A N TYR 288.A O no hydrogen 2.858 N/A SER 292.A OG ALA 289.A O no hydrogen 2.823 N/A ALA 294.A N GLN 290.A O no hydrogen 2.945 N/A TYR 295.A N MET 291.A O no hydrogen 2.812 N/A LEU 301.A N TYR 298.A O no hydrogen 3.318 N/A HIS 305.A ND1 TYR 507.A OH no hydrogen 2.753 N/A THR 307.A N ASP 304.A OD2 no hydrogen 3.290 N/A THR 307.A OG1 ASP 304.A OD2 no hydrogen 2.375 N/A VAL 308.A N ASP 304.A O no hydrogen 3.216 N/A VAL 309.A N HIS 305.A O no hydrogen 2.957 N/A SER 310.A N PRO 306.A O no hydrogen 2.886 N/A SER 310.A OG THR 104.A OG1 no hydrogen 2.726 N/A SER 310.A OG PRO 306.A O no hydrogen 2.796 N/A LEU 311.A N THR 307.A O no hydrogen 2.891 N/A PHE 312.A N VAL 308.A O no hydrogen 2.977 N/A VAL 313.A N VAL 309.A O no hydrogen 2.927 N/A HIS 314.A N SER 310.A O no hydrogen 2.868 N/A HIS 315.A N LEU 311.A O no hydrogen 2.978 N/A HIS 315.A ND1 LEU 311.A O no hydrogen 2.362 N/A MET 316.A N PHE 312.A O no hydrogen 2.911 N/A TRP 317.A N VAL 313.A O no hydrogen 2.934 N/A ILE 318.A N HIS 314.A O no hydrogen 2.924 N/A GLY 319.A N HIS 315.A O no hydrogen 2.871 N/A GLY 320.A N MET 316.A O no hydrogen 2.919 N/A PHE 321.A N TRP 317.A O no hydrogen 2.928 N/A PHE 322.A N ILE 318.A O no hydrogen 2.909 N/A LEU 323.A N GLY 319.A O no hydrogen 2.862 N/A VAL 324.A N GLY 320.A O no hydrogen 2.980 N/A GLY 325.A N PHE 321.A O no hydrogen 2.896 N/A ALA 326.A N PHE 322.A O no hydrogen 2.877 N/A ALA 328.A N VAL 324.A O no hydrogen 2.941 N/A HIS 329.A N GLY 325.A O no hydrogen 2.899 N/A HIS 329.A ND1 HIS 271.A ND1 no hydrogen 3.152 N/A LEU 330.A N ALA 326.A O no hydrogen 2.921 N/A SER 331.A N PHE 327.A O no hydrogen 2.896 N/A SER 331.A OG PHE 327.A O no hydrogen 2.792 N/A ILE 332.A N ALA 328.A O no hydrogen 2.935 N/A GLY 333.A N HIS 329.A O no hydrogen 2.878 N/A LEU 334.A N LEU 330.A O no hydrogen 2.923 N/A VAL 335.A N SER 331.A O no hydrogen 2.914 N/A ARG 336.A N ILE 332.A O no hydrogen 3.010 N/A ARG 336.A NE ASP 463.A OD2 no hydrogen 3.380 N/A ARG 336.A NH1 ASP 34.A OD1 no hydrogen 2.864 N/A ARG 336.A NH1 ASP 34.A OD2 no hydrogen 3.459 N/A ARG 336.A NH2 ASP 34.A OD2 no hydrogen 3.062 N/A ARG 336.A NH2 ASP 463.A OD2 no hydrogen 3.247 N/A LEU 347.A N PHE 343.A O no hydrogen 2.946 N/A THR 348.A N SER 344.A O no hydrogen 2.899 N/A THR 348.A OG1 SER 344.A O no hydrogen 2.512 N/A THR 348.A OG1 VAL 345.A O no hydrogen 3.029 N/A GLN 349.A N VAL 345.A O no hydrogen 3.022 N/A ILE 353.A N GLN 349.A O no hydrogen 2.906 N/A LEU 354.A N ARG 350.A O no hydrogen 2.954 N/A GLY 355.A N ASP 351.A O no hydrogen 2.818 N/A HIS 356.A N ILE 352.A O no hydrogen 2.975 N/A HIS 356.A ND1 ILE 352.A O no hydrogen 2.355 N/A LEU 357.A N ILE 353.A O no hydrogen 2.954 N/A THR 358.A N LEU 354.A O no hydrogen 2.827 N/A THR 358.A OG1 LEU 354.A O no hydrogen 2.602 N/A TRP 359.A N GLY 355.A O no hydrogen 2.900 N/A VAL 360.A N HIS 356.A O no hydrogen 2.931 N/A VAL 361.A N LEU 357.A O no hydrogen 2.895 N/A ALA 362.A N THR 358.A O no hydrogen 2.901 N/A PHE 363.A N TRP 359.A O no hydrogen 2.845 N/A LEU 364.A N VAL 360.A O no hydrogen 2.894 N/A GLY 365.A N VAL 361.A O no hydrogen 2.877 N/A VAL 366.A N ALA 362.A O no hydrogen 2.933 N/A HIS 367.A N PHE 363.A O no hydrogen 2.931 N/A SER 368.A N LEU 364.A O no hydrogen 2.894 N/A SER 368.A OG LEU 364.A O no hydrogen 2.913 N/A PHE 369.A N GLY 365.A O no hydrogen 2.976 N/A GLY 370.A N VAL 366.A O no hydrogen 2.818 N/A LEU 371.A N HIS 367.A O no hydrogen 2.887 N/A TYR 372.A N SER 368.A O no hydrogen 3.069 N/A VAL 373.A N PHE 369.A O no hydrogen 2.846 N/A HIS 374.A N GLY 370.A O no hydrogen 2.778 N/A HIS 374.A NE2 ASP 386.A O no hydrogen 2.659 N/A ASN 375.A N LEU 371.A O no hydrogen 2.957 N/A ASN 375.A ND2 PHE 388.A O no hydrogen 2.955 N/A ASN 375.A ND2 ILE 534.A O no hydrogen 3.205 N/A ASP 376.A N TYR 372.A O no hydrogen 2.931 N/A THR 377.A N VAL 373.A O no hydrogen 2.834 N/A THR 377.A OG1 VAL 373.A O no hydrogen 2.796 N/A MET 378.A N HIS 374.A O no hydrogen 2.877 N/A GLN 379.A N ASN 375.A O no hydrogen 2.921 N/A ALA 380.A N ASP 376.A O no hydrogen 2.900 N/A LEU 381.A N THR 377.A O no hydrogen 2.796 N/A GLY 382.A N GLN 379.A O no hydrogen 3.226 N/A ARG 383.A N MET 378.A O no hydrogen 2.604 N/A ASP 386.A N ARG 383.A O no hydrogen 3.177 N/A PHE 388.A N ASN 375.A OD1 no hydrogen 2.484 N/A ALA 392.A N SER 389.A O no hydrogen 3.260 N/A SER 394.A OG SER 389.A O no hydrogen 3.120 N/A SER 394.A OG ALA 392.A O no hydrogen 2.997 N/A LEU 395.A N THR 423.A OG1 no hydrogen 3.242 N/A ALA 400.A N PRO 397.A O no hydrogen 3.037 N/A ARG 401.A N VAL 398.A O no hydrogen 2.947 N/A SER 403.A OG SER 403.A O no hydrogen 2.507 N/A SER 409.A OG ASN 408.A O no hydrogen 2.499 N/A VAL 414.A N SER 412.A O no hydrogen 2.658 N/A SER 422.A N ASP 425.A OD2 no hydrogen 3.153 N/A THR 423.A N ASP 390.A OD1 no hydrogen 3.346 N/A THR 423.A OG1 ASP 390.A OD1 no hydrogen 3.090 N/A PHE 426.A N SER 422.A O no hydrogen 3.136 N/A MET 427.A N THR 423.A O no hydrogen 2.916 N/A VAL 428.A N ALA 424.A O no hydrogen 2.928 N/A THR 429.A N ASP 425.A O no hydrogen 2.873 N/A THR 429.A OG1 ASP 425.A O no hydrogen 2.570 N/A HIS 430.A N PHE 426.A O no hydrogen 2.953 N/A ILE 431.A N MET 427.A O no hydrogen 2.917 N/A HIS 432.A N VAL 428.A O no hydrogen 2.908 N/A ALA 433.A N THR 429.A O no hydrogen 2.892 N/A PHE 434.A N HIS 430.A O no hydrogen 2.881 N/A THR 435.A N ILE 431.A O no hydrogen 2.929 N/A THR 435.A OG1 ILE 431.A O no hydrogen 3.057 N/A THR 435.A OG1 HIS 432.A O no hydrogen 2.811 N/A THR 435.A OG1 SER 495.A OG no hydrogen 3.039 N/A ILE 436.A N HIS 432.A O no hydrogen 2.916 N/A HIS 437.A N ALA 433.A O no hydrogen 2.870 N/A HIS 437.A ND1 ALA 433.A O no hydrogen 2.406 N/A THR 438.A N PHE 434.A O no hydrogen 2.886 N/A THR 438.A OG1 PHE 434.A O no hydrogen 2.753 N/A THR 439.A N THR 435.A O no hydrogen 2.971 N/A THR 439.A OG1 THR 435.A O no hydrogen 3.075 N/A VAL 440.A N ILE 436.A O no hydrogen 2.908 N/A LEU 441.A N HIS 437.A O no hydrogen 2.786 N/A ILE 442.A N THR 438.A O no hydrogen 2.973 N/A LEU 443.A N THR 439.A O no hydrogen 2.988 N/A VAL 444.A N VAL 440.A O no hydrogen 2.806 N/A LYS 445.A N LEU 441.A O no hydrogen 2.851 N/A LYS 445.A NZ HIS 484.A NE2 no hydrogen 2.891 N/A GLY 446.A N ILE 442.A O no hydrogen 2.924 N/A PHE 447.A N LEU 443.A O no hydrogen 2.938 N/A LEU 448.A N VAL 444.A O no hydrogen 2.856 N/A TYR 449.A N LYS 445.A O no hydrogen 2.871 N/A TYR 449.A OH ASP 351.A OD1 no hydrogen 2.217 N/A ARG 451.A NH1 LEU 334.A O no hydrogen 2.568 N/A ARG 451.A NH1 ASP 337.A O no hydrogen 2.948 N/A ARG 451.A NH2 ASP 337.A O no hydrogen 3.287 N/A SER 452.A OG ASN 457.A O no hydrogen 3.443 N/A SER 453.A N VAL 456.A O no hydrogen 2.800 N/A SER 453.A OG VAL 456.A O no hydrogen 2.899 N/A ARG 454.A NE ASP 351.A OD2 no hydrogen 2.759 N/A ARG 454.A NH2 ASP 351.A OD2 no hydrogen 2.617 N/A VAL 456.A N SER 453.A OG no hydrogen 3.117 N/A LYS 459.A NZ TYR 449.A O no hydrogen 2.625 N/A LYS 459.A NZ ILE 479.A O no hydrogen 2.910 N/A TYR 460.A N ARG 451.A O no hydrogen 2.669 N/A LYS 461.A N ASP 458.A O no hydrogen 3.010 N/A LEU 462.A N LYS 459.A O no hydrogen 3.159 N/A ASP 463.A N TYR 460.A O no hydrogen 3.382 N/A ASP 469.A N THR 476.A OG1 no hydrogen 3.089 N/A ARG 473.A NH1 ASP 469.A OD2 no hydrogen 2.503 N/A ARG 473.A NH2 ASP 469.A OD2 no hydrogen 2.876 N/A GLY 475.A N GLY 472.A O no hydrogen 2.653 N/A THR 476.A N GLY 470.A O no hydrogen 2.990 N/A THR 476.A OG1 GLY 470.A O no hydrogen 2.591 N/A SER 480.A OG TYR 466.A O no hydrogen 3.090 N/A SER 480.A OG ASP 483.A OD2 no hydrogen 2.428 N/A TRP 482.A N PHE 464.A O no hydrogen 3.243 N/A ASP 483.A N SER 480.A OG no hydrogen 2.912 N/A HIS 484.A N SER 480.A O no hydrogen 2.997 N/A HIS 484.A ND1 SER 480.A O no hydrogen 2.657 N/A VAL 485.A N PRO 481.A O no hydrogen 2.931 N/A PHE 486.A N TRP 482.A O no hydrogen 2.829 N/A LEU 487.A N ASP 483.A O no hydrogen 2.921 N/A GLY 488.A N HIS 484.A O no hydrogen 2.845 N/A LEU 489.A N VAL 485.A O no hydrogen 2.856 N/A TRP 491.A N LEU 487.A O no hydrogen 3.007 N/A MET 492.A N GLY 488.A O no hydrogen 2.795 N/A TYR 493.A N LEU 489.A O no hydrogen 2.880 N/A ASN 494.A N PHE 490.A O no hydrogen 2.926 N/A SER 495.A N TRP 491.A O no hydrogen 2.873 N/A SER 495.A OG THR 435.A OG1 no hydrogen 3.039 N/A ILE 496.A N MET 492.A O no hydrogen 2.856 N/A SER 497.A N TYR 493.A O no hydrogen 2.862 N/A SER 497.A OG TYR 493.A O no hydrogen 2.583 N/A VAL 498.A N ASN 494.A O no hydrogen 2.965 N/A VAL 499.A N SER 495.A O no hydrogen 2.888 N/A ILE 500.A N ILE 496.A O no hydrogen 2.860 N/A PHE 501.A N SER 497.A O no hydrogen 2.893 N/A HIS 502.A N VAL 498.A O no hydrogen 2.891 N/A PHE 503.A N VAL 499.A O no hydrogen 2.921 N/A PHE 504.A N ILE 500.A O no hydrogen 2.838 N/A TRP 505.A N PHE 501.A O no hydrogen 2.919 N/A TRP 505.A NE1 ASP 528.A OD2 no hydrogen 3.317 N/A GLU 506.A N HIS 502.A O no hydrogen 2.930 N/A TYR 507.A N PHE 503.A O no hydrogen 2.831 N/A TYR 507.A OH HIS 305.A ND1 no hydrogen 2.753 N/A GLN 508.A N PHE 504.A O no hydrogen 2.916 N/A SER 509.A N TRP 505.A O no hydrogen 2.868 N/A ASN 510.A N GLU 506.A O no hydrogen 2.874 N/A LEU 511.A N TYR 507.A O no hydrogen 2.900 N/A ALA 512.A N GLN 508.A O no hydrogen 2.897 N/A SER 513.A N SER 509.A O no hydrogen 2.879 N/A ILE 514.A N ASN 510.A O no hydrogen 2.872 N/A LYS 515.A N LEU 511.A O no hydrogen 3.115 N/A ALA 516.A N SER 513.A O no hydrogen 2.972 N/A SER 517.A OG ALA 516.A O no hydrogen 2.336 N/A SER 521.A OG GLY 519.A O no hydrogen 3.188 N/A ARG 523.A NE SER 513.A OG no hydrogen 3.287 N/A SER 527.A OG LEU 525.A O no hydrogen 2.378 N/A GLU 530.A N SER 527.A O no hydrogen 2.327 N/A ASN 532.A N ASP 528.A O no hydrogen 2.917 N/A ASN 532.A N PHE 529.A O no hydrogen 3.204 N/A ASN 532.A ND2 ASP 528.A O no hydrogen 2.929 N/A SER 533.A N PHE 529.A O no hydrogen 2.641 N/A SER 533.A OG PHE 529.A O no hydrogen 2.432 N/A THR 536.A N ASP 376.A OD2 no hydrogen 2.548 N/A THR 536.A OG1 ASP 376.A OD2 no hydrogen 3.159 N/A ASN 537.A N ASP 376.A OD1 no hydrogen 2.920 N/A TRP 539.A N ASN 535.A O no hydrogen 3.086 N/A LEU 540.A N THR 536.A O no hydrogen 2.900 N/A ARG 541.A N ASN 537.A O no hydrogen 2.886 N/A ARG 541.A NE ASN 542.A OD1 no hydrogen 2.735 N/A ASN 542.A N GLY 538.A O no hydrogen 2.896 N/A PHE 543.A N TRP 539.A O no hydrogen 2.902 N/A LEU 544.A N TRP 539.A O no hydrogen 3.291 N/A TRP 545.A N LEU 540.A O no hydrogen 3.164 N/A GLY 547.A N PHE 543.A O no hydrogen 2.900 N/A ALA 548.A N LEU 544.A O no hydrogen 2.919 N/A ILE 552.A N ALA 548.A O no hydrogen 2.919 N/A GLN 553.A N ALA 549.A O no hydrogen 2.951 N/A SER 554.A OG GLN 550.A O no hydrogen 2.202 N/A SER 557.A N SER 554.A O no hydrogen 3.044 N/A SER 557.A OG SER 554.A O no hydrogen 2.415 N/A ALA 560.A N SER 557.A O no hydrogen 2.968 N/A GLY 563.A N LEU 559.A O no hydrogen 2.987 N/A LEU 564.A N ALA 560.A O no hydrogen 2.890 N/A THR 565.A N ALA 561.A O no hydrogen 2.895 N/A THR 565.A OG1 ALA 561.A O no hydrogen 2.954 N/A THR 565.A OG1 TYR 562.A O no hydrogen 2.759 N/A THR 565.A OG1 SER 635.A OG no hydrogen 2.625 N/A PHE 566.A N TYR 562.A O no hydrogen 2.859 N/A LEU 567.A N GLY 563.A O no hydrogen 3.006 N/A ALA 568.A N LEU 564.A O no hydrogen 2.881 N/A SER 569.A N THR 565.A O no hydrogen 2.819 N/A SER 569.A OG THR 565.A O no hydrogen 2.477 N/A HIS 570.A N PHE 566.A O no hydrogen 3.030 N/A HIS 570.A ND1 PHE 566.A O no hydrogen 2.776 N/A PHE 571.A N LEU 567.A O no hydrogen 2.939 N/A VAL 572.A N ALA 568.A O no hydrogen 2.882 N/A TRP 573.A N SER 569.A O no hydrogen 2.919 N/A ALA 574.A N HIS 570.A O no hydrogen 2.972 N/A LEU 575.A N PHE 571.A O no hydrogen 2.943 N/A SER 576.A N VAL 572.A O no hydrogen 2.952 N/A SER 576.A OG TRP 573.A O no hydrogen 3.186 N/A LEU 577.A N TRP 573.A O no hydrogen 3.171 N/A MET 578.A N ALA 574.A O no hydrogen 2.968 N/A PHE 579.A N LEU 575.A O no hydrogen 2.989 N/A LEU 580.A N SER 576.A O no hydrogen 2.817 N/A PHE 581.A N LEU 577.A O no hydrogen 2.920 N/A SER 582.A N MET 578.A O no hydrogen 3.389 N/A SER 582.A OG MET 578.A O no hydrogen 2.517 N/A ARG 584.A NH1 ARG 584.A O no hydrogen 3.492 N/A ARG 584.A NH1 GLN 588.A OE1 no hydrogen 2.707 N/A ARG 584.A NH2 GLN 588.A OE1 no hydrogen 2.876 N/A TRP 587.A NE1 SER 582.A OG no hydrogen 3.180 N/A GLN 588.A N ARG 584.A O no hydrogen 2.905 N/A GLU 589.A N GLY 585.A O no hydrogen 2.977 N/A LEU 590.A N TYR 586.A O no hydrogen 2.949 N/A ILE 591.A N TRP 587.A O no hydrogen 2.866 N/A GLU 592.A N GLN 588.A O no hydrogen 2.866 N/A SER 593.A N GLU 589.A O no hydrogen 3.019 N/A SER 593.A OG GLU 589.A O no hydrogen 3.475 N/A VAL 594.A N LEU 590.A O no hydrogen 2.953 N/A LEU 595.A N ILE 591.A O no hydrogen 2.787 N/A TRP 596.A N GLU 592.A O no hydrogen 2.905 N/A ALA 597.A N SER 593.A O no hydrogen 2.989 N/A HIS 598.A N VAL 594.A O no hydrogen 2.932 N/A HIS 598.A ND1 VAL 594.A O no hydrogen 2.688 N/A HIS 599.A N LEU 595.A O no hydrogen 2.865 N/A LYS 600.A N TRP 596.A O no hydrogen 2.901 N/A LEU 601.A N HIS 598.A O no hydrogen 2.939 N/A TYR 602.A N HIS 599.A O no hydrogen 3.065 N/A VAL 603.A N HIS 598.A O no hydrogen 3.142 N/A GLN 608.A N GLN 20.A O no hydrogen 3.060 N/A ARG 610.A N THR 22.A OG1 no hydrogen 3.001 N/A ALA 611.A N GLN 588.A OE1 no hydrogen 3.236 N/A SER 616.A N SER 613.A OG no hydrogen 3.263 N/A GLY 617.A N SER 613.A O no hydrogen 2.563 N/A ARG 618.A N ILE 614.A O no hydrogen 2.945 N/A ARG 618.A NH1 PRO 467.A O no hydrogen 2.723 N/A ARG 618.A NH1 ASP 483.A OD1 no hydrogen 2.801 N/A ARG 618.A NH2 PRO 467.A O no hydrogen 3.336 N/A ALA 619.A N THR 615.A O no hydrogen 2.868 N/A VAL 620.A N SER 616.A O no hydrogen 2.890 N/A GLY 621.A N GLY 617.A O no hydrogen 2.924 N/A LEU 622.A N ARG 618.A O no hydrogen 2.877 N/A THR 623.A N ALA 619.A O no hydrogen 2.865 N/A THR 623.A OG1 ALA 619.A O no hydrogen 2.776 N/A HIS 624.A N VAL 620.A O no hydrogen 2.938 N/A TYR 625.A N GLY 621.A O no hydrogen 2.855 N/A LEU 626.A N LEU 622.A O no hydrogen 2.904 N/A LEU 627.A N THR 623.A O no hydrogen 2.892 N/A GLY 628.A N HIS 624.A O no hydrogen 2.827 N/A GLY 629.A N TYR 625.A O no hydrogen 2.934 N/A ILE 630.A N LEU 626.A O no hydrogen 2.884 N/A GLY 631.A N LEU 627.A O no hydrogen 2.824 N/A THR 632.A N GLY 628.A O no hydrogen 2.881 N/A THR 632.A OG1 HIS 570.A ND1 no hydrogen 3.312 N/A THR 632.A OG1 GLY 628.A O no hydrogen 2.867 N/A THR 633.A N GLY 629.A O no hydrogen 2.968 N/A THR 633.A OG1 GLY 629.A O no hydrogen 3.081 N/A TRP 634.A N ILE 630.A O no hydrogen 2.805 N/A SER 635.A N GLY 631.A O no hydrogen 2.863 N/A SER 635.A OG THR 565.A OG1 no hydrogen 2.625 N/A SER 635.A OG GLY 631.A O no hydrogen 2.902 N/A PHE 636.A N THR 632.A O no hydrogen 2.901 N/A PHE 637.A N THR 633.A O no hydrogen 2.844 N/A LEU 638.A N TRP 634.A O no hydrogen 2.926 N/A ALA 639.A N SER 635.A O no hydrogen 2.914 N/A ARG 640.A N PHE 636.A O no hydrogen 2.928 N/A ARG 640.A NE GLN 508.A OE1 no hydrogen 2.608 N/A ARG 640.A NH1 GLN 550.A OE1 no hydrogen 2.688 N/A ILE 641.A N PHE 637.A O no hydrogen 2.877 N/A VAL 642.A N LEU 638.A O no hydrogen 2.891 N/A ALA 643.A N ALA 639.A O no hydrogen 2.940 N/A THR 644.A N ARG 640.A O no hydrogen 3.206 N/A THR 644.A OG1 ARG 640.A O no hydrogen 2.353 N/A