Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2yr4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLY 630.A O no hydrogen 2.758 N/A THR 3.A OG1 GLU 334.A OE1 no hydrogen 3.438 N/A THR 3.A OG1 GLU 334.A OE2 no hydrogen 2.670 N/A ARG 7.A NH2 GLY 211.A O no hydrogen 3.103 N/A LEU 11.A N LYS 169.A O no hydrogen 2.800 N/A LYS 12.A NZ ARG 493.A O no hydrogen 3.503 N/A GLU 14.A N LEU 11.A O no hydrogen 2.888 N/A LYS 15.A NZ ASP 13.A O no hydrogen 3.007 N/A ALA 18.A N TYR 335.A OH no hydrogen 3.086 N/A THR 19.A N GLU 23.A OE1 no hydrogen 2.808 N/A THR 19.A OG1 GLU 23.A OE1 no hydrogen 2.979 N/A THR 20.A OG1 ASP 157.A O no hydrogen 3.354 N/A VAL 21.A N ALA 159.A O no hydrogen 2.820 N/A GLY 22.A N ASP 157.A O no hydrogen 2.830 N/A GLU 23.A N THR 20.A OG1 no hydrogen 3.153 N/A ALA 24.A N THR 20.A O no hydrogen 3.100 N/A ARG 25.A N VAL 21.A O no hydrogen 2.788 N/A ARG 25.A NE ASP 157.A OD1 no hydrogen 2.980 N/A ARG 25.A NH2 ASP 157.A OD2 no hydrogen 2.947 N/A LEU 26.A N GLY 22.A O no hydrogen 3.183 N/A SER 27.A N ALA 24.A O no hydrogen 2.954 N/A SER 27.A OG GLU 142.A OE2 no hydrogen 2.472 N/A ILE 29.A N LEU 26.A O no hydrogen 3.427 N/A TYR 31.A N GLY 28.A O no hydrogen 3.296 N/A ARG 32.A N LEU 235.A O no hydrogen 3.000 N/A ARG 32.A NH1 LEU 235.A O no hydrogen 2.954 N/A ARG 32.A NH1 ALA 237.A O no hydrogen 2.757 N/A ARG 32.A NH2 ALA 237.A O no hydrogen 3.019 N/A ARG 32.A NH2 ALA 238.A O no hydrogen 3.309 N/A SER 36.A N HIS 33.A O no hydrogen 2.936 N/A ALA 37.A N GLN 249.A OE1 no hydrogen 2.904 N/A VAL 39.A N SER 36.A O no hydrogen 3.263 N/A SER 40.A OG ILE 29.A O no hydrogen 2.550 N/A TYR 41.A OH ASN 641.A OD1 no hydrogen 2.591 N/A ALA 44.A N SER 40.A O no hydrogen 2.947 N/A ALA 45.A N TYR 41.A O no hydrogen 2.845 N/A ALA 46.A N VAL 43.A O no hydrogen 3.149 N/A ARG 51.A N ALA 657.A O no hydrogen 2.927 N/A GLY 55.A N SER 86.A OG no hydrogen 2.894 N/A ASN 56.A ND2 GLY 85.A O no hydrogen 3.415 N/A TYR 57.A N GLY 87.A O no hydrogen 2.979 N/A TYR 57.A OH PRO 53.A O no hydrogen 2.737 N/A ARG 58.A N ASP 400.A OD2 no hydrogen 2.854 N/A ARG 58.A NH1 GLU 397.A OE1 no hydrogen 2.887 N/A ARG 58.A NH1 ALA 398.A O no hydrogen 3.169 N/A ARG 58.A NH2 GLU 397.A OE1 no hydrogen 3.169 N/A ILE 59.A N ASP 89.A O no hydrogen 2.794 N/A ALA 60.A N PHE 401.A O no hydrogen 3.100 N/A ILE 61.A N GLN 91.A O no hydrogen 2.926 N/A VAL 62.A N ILE 403.A O no hydrogen 2.867 N/A GLY 63.A N TYR 93.A O no hydrogen 2.820 N/A GLY 64.A N GLU 94.A OE1 no hydrogen 2.824 N/A ILE 69.A N GLY 65.A O no hydrogen 2.956 N/A ALA 70.A N ALA 66.A O no hydrogen 2.957 N/A ALA 71.A N GLY 67.A O no hydrogen 2.991 N/A LEU 72.A N GLY 68.A O no hydrogen 2.909 N/A TYR 73.A N ILE 69.A O no hydrogen 2.929 N/A GLU 74.A N ALA 70.A O no hydrogen 2.992 N/A LEU 75.A N ALA 71.A O no hydrogen 2.952 N/A GLY 76.A N LEU 72.A O no hydrogen 2.835 N/A ARG 77.A N TYR 73.A O no hydrogen 2.981 N/A LEU 78.A N GLU 74.A O no hydrogen 3.021 N/A ALA 79.A N LEU 75.A O no hydrogen 2.800 N/A ALA 80.A N GLY 76.A O no hydrogen 3.070 N/A THR 81.A N LEU 78.A O no hydrogen 2.950 N/A THR 81.A OG1 LEU 78.A O no hydrogen 2.767 N/A LEU 82.A N ALA 79.A O no hydrogen 2.893 N/A SER 86.A N PRO 83.A O no hydrogen 2.918 N/A SER 86.A OG GLY 55.A O no hydrogen 3.369 N/A GLY 87.A N GLY 55.A O no hydrogen 3.110 N/A ILE 88.A N LYS 360.A O no hydrogen 2.879 N/A ASP 89.A N TYR 57.A O no hydrogen 2.740 N/A VAL 90.A N VAL 362.A O no hydrogen 2.843 N/A GLN 91.A N ILE 59.A O no hydrogen 2.963 N/A GLN 91.A NE2 ASP 89.A OD1 no hydrogen 3.295 N/A GLN 91.A NE2 GLN 364.A OE1 no hydrogen 2.986 N/A ILE 92.A N GLN 364.A O no hydrogen 2.928 N/A TYR 93.A N ILE 61.A O no hydrogen 2.859 N/A TYR 93.A OH TYR 399.A OH no hydrogen 2.694 N/A GLU 94.A N ARG 366.A O no hydrogen 2.946 N/A ASP 96.A N GLU 94.A OE2 no hydrogen 2.846 N/A ASP 98.A N ASP 96.A OD1 no hydrogen 2.855 N/A SER 99.A N ASP 96.A O no hydrogen 3.102 N/A PHE 100.A N LYS 112.A O no hydrogen 2.823 N/A LEU 101.A N SER 99.A OG no hydrogen 2.944 N/A HIS 102.A N SER 99.A O no hydrogen 3.073 N/A HIS 102.A ND1 ASP 96.A O no hydrogen 3.116 N/A ASP 103.A N PHE 100.A O no hydrogen 3.138 N/A GLY 110.A N GLU 341.A OE1 no hydrogen 3.447 N/A GLY 110.A N GLU 341.A OE2 no hydrogen 2.625 N/A LYS 112.A N ASP 98.A O no hydrogen 2.878 N/A ALA 113.A N VAL 116.A O no hydrogen 2.846 N/A ARG 115.A NH1 ASP 623.A OD1 no hydrogen 3.252 N/A ARG 115.A NH1 ASP 623.A OD2 no hydrogen 3.260 N/A ARG 115.A NH2 ASP 623.A OD1 no hydrogen 2.790 N/A VAL 116.A N ALA 113.A O no hydrogen 3.095 N/A ALA 119.A N TYR 133.A O no hydrogen 2.737 N/A VAL 121.A N THR 131.A O no hydrogen 2.883 N/A ASN 123.A ND2 THR 131.A OG1 no hydrogen 2.922 N/A ALA 127.A N ASP 125.A OD1 no hydrogen 3.083 N/A SER 128.A N ASP 125.A O no hydrogen 3.208 N/A SER 128.A OG ASP 125.A O no hydrogen 3.190 N/A SER 128.A OG ASP 125.A OD2 no hydrogen 3.033 N/A SER 128.A OG GLY 129.A O no hydrogen 3.532 N/A THR 131.A N VAL 121.A O no hydrogen 2.862 N/A THR 131.A OG1 ASP 576.A OD2 no hydrogen 2.586 N/A TYR 133.A N ALA 119.A O no hydrogen 3.088 N/A TYR 133.A OH THR 478.A OG1 no hydrogen 2.923 N/A TYR 133.A OH ASP 576.A O no hydrogen 2.719 N/A VAL 135.A N SER 117.A O no hydrogen 2.911 N/A ALA 137.A N ARG 115.A O no hydrogen 3.343 N/A ARG 139.A NE GLU 334.A OE1 no hydrogen 3.028 N/A ARG 139.A NH2 GLY 1.A O no hydrogen 2.936 N/A ARG 139.A NH2 THR 3.A OG1 no hydrogen 2.834 N/A PHE 140.A N TYR 335.A O no hydrogen 2.865 N/A GLU 142.A N ASN 333.A O no hydrogen 2.905 N/A ALA 144.A N PRO 141.A O no hydrogen 3.017 N/A GLY 145.A N ILE 143.A O no hydrogen 2.702 N/A LEU 146.A N GLU 633.A OE2 no hydrogen 2.942 N/A THR 147.A N GLU 633.A OE1 no hydrogen 2.807 N/A THR 147.A OG1 GLU 633.A OE1 no hydrogen 2.742 N/A TRP 148.A N ALA 144.A O no hydrogen 3.012 N/A TRP 148.A NE1 PRO 141.A O no hydrogen 2.825 N/A HIS 149.A N GLY 145.A O no hydrogen 2.840 N/A TYR 150.A N LEU 146.A O no hydrogen 3.020 N/A TYR 150.A OH GLU 74.A OE2 no hydrogen 2.603 N/A ALA 151.A N THR 147.A O no hydrogen 2.875 N/A SER 152.A N TRP 148.A O no hydrogen 2.914 N/A SER 152.A OG ASP 157.A OD1 no hydrogen 2.463 N/A ALA 153.A N HIS 149.A O no hydrogen 3.164 N/A ALA 154.A N TYR 150.A O no hydrogen 2.844 N/A PHE 155.A N ALA 151.A O no hydrogen 2.671 N/A GLY 156.A N SER 152.A O no hydrogen 2.758 N/A ALA 159.A N GLY 156.A O no hydrogen 3.218 N/A ILE 161.A N THR 19.A O no hydrogen 2.994 N/A LYS 162.A N THR 336.A O no hydrogen 3.301 N/A PHE 164.A N GLU 334.A O no hydrogen 2.835 N/A ASN 166.A N PHE 164.A O no hydrogen 2.945 N/A GLY 168.A N THR 172.A OG1 no hydrogen 2.858 N/A LYS 169.A N ASN 166.A O no hydrogen 3.014 N/A LYS 169.A NZ LEU 9.A O no hydrogen 2.833 N/A LYS 169.A NZ GLU 14.A OE1 no hydrogen 2.856 N/A LYS 169.A NZ SER 332.A O no hydrogen 2.886 N/A LYS 169.A NZ ASN 333.A OD1 no hydrogen 3.317 N/A THR 172.A N TYR 183.A O no hydrogen 2.885 N/A THR 172.A OG1 VAL 170.A O no hydrogen 2.613 N/A GLU 173.A N ALA 499.A O no hydrogen 2.924 N/A PHE 174.A N ASP 181.A O no hydrogen 2.793 N/A VAL 175.A N VAL 501.A O no hydrogen 2.908 N/A PHE 176.A N ARG 179.A O no hydrogen 3.016 N/A GLY 177.A N ASP 503.A OD2 no hydrogen 2.881 N/A ARG 179.A N PHE 176.A O no hydrogen 2.742 N/A ARG 179.A NE ASP 181.A OD2 no hydrogen 2.885 N/A ARG 179.A NH2 ASP 181.A OD1 no hydrogen 2.791 N/A ARG 179.A NH2 ASP 193.A OD2 no hydrogen 2.868 N/A ASP 181.A N PHE 174.A O no hydrogen 2.915 N/A ARG 182.A NE GLU 173.A OE1 no hydrogen 2.825 N/A ARG 182.A NH2 GLU 173.A OE1 no hydrogen 2.863 N/A TYR 183.A N THR 172.A O no hydrogen 2.989 N/A TYR 183.A OH GLY 308.A O no hydrogen 2.606 N/A VAL 184.A N ASP 190.A O no hydrogen 3.336 N/A GLY 185.A N GLY 168.A O no hydrogen 2.748 N/A SER 186.A OG LEU 8.A O no hydrogen 2.628 N/A LYS 189.A N ASP 187.A OD1 no hydrogen 3.021 N/A ASP 190.A N ASP 187.A O no hydrogen 2.828 N/A TRP 191.A N PRO 188.A O no hydrogen 3.055 N/A TRP 191.A NE1 GLY 185.A O no hydrogen 2.959 N/A GLU 192.A N ARG 182.A O no hydrogen 2.955 N/A ASP 195.A N ASP 193.A OD1 no hydrogen 2.913 N/A SER 196.A N ASP 193.A O no hydrogen 2.973 N/A SER 196.A OG ASP 181.A OD1 no hydrogen 2.895 N/A SER 196.A OG ASP 181.A OD2 no hydrogen 3.066 N/A THR 198.A N SER 196.A OG no hydrogen 3.027 N/A THR 198.A OG1 ASP 181.A OD2 no hydrogen 2.790 N/A THR 198.A OG1 SER 196.A OG no hydrogen 3.327 N/A LYS 200.A N SER 196.A O no hydrogen 3.194 N/A VAL 201.A N PRO 197.A O no hydrogen 2.876 N/A LEU 202.A N THR 198.A O no hydrogen 2.937 N/A GLY 203.A N LEU 199.A O no hydrogen 3.041 N/A VAL 204.A N LYS 200.A O no hydrogen 3.123 N/A VAL 205.A N VAL 201.A O no hydrogen 2.874 N/A ALA 206.A N LEU 202.A O no hydrogen 2.877 N/A GLY 207.A N GLY 203.A O no hydrogen 2.886 N/A GLY 208.A N VAL 204.A O no hydrogen 2.921 N/A LEU 209.A N VAL 205.A O no hydrogen 2.850 N/A VAL 210.A N ALA 206.A O no hydrogen 2.813 N/A GLY 211.A N ALA 206.A O no hydrogen 3.405 N/A ASN 212.A N ASP 227.A OD2 no hydrogen 2.891 N/A VAL 218.A N ASP 227.A OD2 no hydrogen 2.899 N/A ALA 219.A N ASP 227.A OD1 no hydrogen 2.838 N/A MET 220.A N GLY 208.A O no hydrogen 2.764 N/A TYR 221.A OH ALA 268.A O no hydrogen 3.418 N/A TYR 221.A OH GLU 271.A OE1 no hydrogen 2.676 N/A ILE 223.A N VAL 226.A O no hydrogen 2.923 N/A VAL 226.A N ILE 223.A O no hydrogen 2.996 N/A ASP 227.A N ASN 217.A OD1 no hydrogen 3.006 N/A ALA 229.A N VAL 210.A O no hydrogen 3.030 N/A LYS 230.A N ASP 227.A O no hydrogen 2.844 N/A LYS 230.A NZ ASN 212.A O no hydrogen 2.858 N/A LYS 230.A NZ GLY 215.A O no hydrogen 3.030 N/A LYS 230.A NZ GLU 216.A O no hydrogen 3.528 N/A LYS 230.A NZ ASN 217.A OD1 no hydrogen 2.767 N/A ILE 231.A N ASP 227.A O no hydrogen 3.368 N/A ALA 232.A N PRO 228.A O no hydrogen 2.911 N/A ALA 233.A N ALA 229.A O no hydrogen 3.416 N/A LEU 235.A N ILE 231.A O no hydrogen 2.990 N/A ASN 236.A N ALA 232.A O no hydrogen 3.025 N/A ALA 237.A N ILE 234.A O no hydrogen 3.096 N/A ALA 244.A N PRO 241.A O no hydrogen 3.106 N/A ARG 247.A N ASP 243.A O no hydrogen 2.818 N/A ARG 247.A NH2 TYR 252.A OH no hydrogen 3.506 N/A ILE 248.A N ALA 244.A O no hydrogen 2.975 N/A GLN 249.A N LEU 245.A O no hydrogen 2.863 N/A GLN 249.A NE2 ASP 35.A O no hydrogen 2.985 N/A GLN 249.A NE2 GLY 668.A O no hydrogen 3.073 N/A THR 250.A N GLU 246.A O no hydrogen 2.911 N/A THR 250.A OG1 GLU 246.A O no hydrogen 2.870 N/A THR 250.A OG1 GLU 246.A OE2 no hydrogen 3.135 N/A LYS 251.A N ARG 247.A O no hydrogen 2.824 N/A LYS 251.A NZ GLU 255.A OE1 no hydrogen 2.801 N/A TYR 252.A N ARG 247.A O no hydrogen 2.943 N/A TRP 253.A N ILE 248.A O no hydrogen 2.921 N/A TRP 253.A NE1 ASP 35.A OD1 no hydrogen 2.929 N/A GLU 255.A N LYS 251.A O no hydrogen 2.847 N/A PHE 256.A N TYR 252.A O no hydrogen 3.064 N/A ILE 257.A N TRP 253.A O no hydrogen 2.891 N/A ALA 258.A N PRO 254.A O no hydrogen 2.846 N/A GLN 259.A N GLU 255.A O no hydrogen 3.096 N/A GLN 259.A NE2 GLU 255.A O no hydrogen 3.315 N/A TYR 260.A N PHE 256.A O no hydrogen 2.856 N/A ASP 261.A N ILE 257.A O no hydrogen 2.977 N/A LEU 263.A N TYR 260.A O no hydrogen 3.018 N/A LEU 265.A N ILE 318.A O no hydrogen 2.871 N/A GLY 266.A N TYR 316.A O no hydrogen 2.847 N/A ALA 267.A N THR 264.A OG1 no hydrogen 3.108 N/A ALA 268.A N THR 264.A O no hydrogen 2.946 N/A VAL 269.A N LEU 265.A O no hydrogen 2.892 N/A ARG 270.A N GLY 266.A O no hydrogen 3.038 N/A ARG 270.A NH1 SER 296.A OG no hydrogen 3.075 N/A GLU 271.A N ALA 267.A O no hydrogen 2.952 N/A ILE 272.A N ALA 268.A O no hydrogen 2.987 N/A VAL 273.A N VAL 269.A O no hydrogen 2.927 N/A THR 274.A N ARG 270.A O no hydrogen 2.941 N/A THR 274.A OG1 ARG 270.A O no hydrogen 2.754 N/A VAL 275.A N GLU 271.A O no hydrogen 3.186 N/A ALA 276.A N ILE 272.A O no hydrogen 3.027 N/A PHE 277.A N VAL 273.A O no hydrogen 2.793 N/A GLU 278.A N THR 274.A O no hydrogen 2.948 N/A LYS 279.A N VAL 275.A O no hydrogen 2.884 N/A GLY 280.A N PHE 277.A O no hydrogen 3.088 N/A THR 281.A N ALA 276.A O no hydrogen 2.841 N/A LEU 282.A N ALA 276.A O no hydrogen 3.244 N/A VAL 285.A N SER 294.A OG no hydrogen 3.391 N/A VAL 288.A N ASP 286.A OD1 no hydrogen 2.804 N/A LEU 289.A N ASP 286.A OD1 no hydrogen 3.026 N/A GLU 293.A N ASP 290.A OD1 no hydrogen 2.753 N/A SER 294.A N ASP 290.A O no hydrogen 2.841 N/A SER 294.A OG ASP 290.A O no hydrogen 3.391 N/A ILE 295.A N VAL 291.A O no hydrogen 2.997 N/A SER 296.A N ASP 292.A O no hydrogen 2.877 N/A SER 296.A OG ASP 292.A O no hydrogen 2.824 N/A SER 296.A OG ASP 292.A OD2 no hydrogen 3.338 N/A TYR 297.A N GLU 293.A O no hydrogen 2.848 N/A TYR 297.A OH ASN 178.A OD1 no hydrogen 2.704 N/A TYR 298.A N SER 294.A O no hydrogen 2.993 N/A TYR 298.A OH PRO 283.A O no hydrogen 2.518 N/A VAL 299.A N ILE 295.A O no hydrogen 2.899 N/A GLU 300.A N SER 296.A O no hydrogen 2.969 N/A LEU 301.A N TYR 297.A O no hydrogen 2.814 N/A PHE 302.A N TYR 298.A O no hydrogen 2.875 N/A GLY 303.A N VAL 299.A O no hydrogen 2.864 N/A ARG 304.A N GLU 300.A O no hydrogen 3.014 N/A ARG 304.A NH1 ASP 530.A OD2 no hydrogen 2.900 N/A ARG 304.A NH2 ASP 530.A OD1 no hydrogen 3.281 N/A ARG 304.A NH2 ASP 530.A OD2 no hydrogen 3.266 N/A PHE 305.A N LEU 301.A O no hydrogen 3.065 N/A GLY 306.A N PHE 302.A O no hydrogen 2.761 N/A GLY 308.A N PHE 305.A O no hydrogen 3.045 N/A LYS 313.A N GLY 303.A O no hydrogen 2.776 N/A LYS 313.A NZ GLU 300.A OE1 no hydrogen 3.257 N/A LYS 313.A NZ GLU 300.A OE2 no hydrogen 2.811 N/A LEU 315.A N PHE 312.A O no hydrogen 2.740 N/A TYR 316.A N LYS 313.A O no hydrogen 3.017 N/A TYR 316.A OH VAL 299.A O no hydrogen 2.739 N/A ILE 318.A N LEU 315.A O no hydrogen 3.039 N/A SER 319.A N ASP 591.A O no hydrogen 2.984 N/A SER 319.A OG ASP 261.A O no hydrogen 3.511 N/A SER 319.A OG ASP 261.A OD1 no hydrogen 2.677 N/A LEU 320.A N LEU 263.A O no hydrogen 2.832 N/A VAL 321.A N SER 319.A OG no hydrogen 3.097 N/A MET 323.A N SER 319.A O no hydrogen 3.165 N/A MET 324.A N LEU 320.A O no hydrogen 2.767 N/A ARG 325.A N VAL 321.A O no hydrogen 3.044 N/A ARG 325.A NE ASP 35.A OD2 no hydrogen 2.724 N/A ARG 325.A NH1 GLU 322.A OE1 no hydrogen 3.015 N/A ARG 325.A NH2 ASP 35.A OD1 no hydrogen 3.402 N/A ARG 325.A NH2 ASP 35.A OD2 no hydrogen 3.178 N/A ARG 325.A NH2 HIS 596.A ND1 no hydrogen 2.916 N/A LEU 326.A N GLU 322.A O no hydrogen 3.420 N/A ILE 327.A N MET 323.A O no hydrogen 2.865 N/A LEU 328.A N MET 324.A O no hydrogen 2.915 N/A TRP 329.A N ARG 325.A O no hydrogen 3.217 N/A TYR 331.A OH GLU 334.A OE2 no hydrogen 2.562 N/A SER 332.A OG GLU 14.A OE2 no hydrogen 2.587 N/A ASN 333.A ND2 GLU 14.A OE1 no hydrogen 3.132 N/A TYR 335.A N PHE 140.A O no hydrogen 2.925 N/A TYR 335.A OH GLU 142.A OE1 no hydrogen 2.703 N/A THR 336.A N LYS 162.A O no hydrogen 2.748 N/A THR 336.A OG1 LYS 162.A O no hydrogen 3.326 N/A VAL 339.A N LEU 337.A O no hydrogen 2.821 N/A THR 340.A N GLU 344.A OE2 no hydrogen 3.121 N/A GLU 341.A N GLU 344.A OE2 no hydrogen 2.981 N/A ASN 342.A N GLU 134.A OE1 no hydrogen 2.761 N/A ASN 342.A ND2 ALA 137.A O no hydrogen 2.787 N/A ASN 342.A ND2 MET 138.A O no hydrogen 3.550 N/A GLU 344.A N GLU 341.A O no hydrogen 3.064 N/A PHE 345.A N ASN 342.A O no hydrogen 2.903 N/A ARG 347.A N VAL 343.A O no hydrogen 2.921 N/A ASN 348.A N GLU 344.A O no hydrogen 2.829 N/A ASN 348.A ND2 ALA 154.A O no hydrogen 3.282 N/A LEU 349.A N PHE 345.A O no hydrogen 3.048 N/A PHE 350.A N ILE 346.A O no hydrogen 2.969 N/A LEU 351.A N ARG 347.A O no hydrogen 2.979 N/A LYS 352.A N ASN 348.A O no hydrogen 2.853 N/A ALA 353.A N LEU 349.A O no hydrogen 2.864 N/A GLN 354.A N PHE 350.A O no hydrogen 3.433 N/A GLN 354.A NE2 PHE 350.A O no hydrogen 3.534 N/A ASN 355.A N LEU 351.A O no hydrogen 3.083 N/A VAL 356.A N LYS 352.A O no hydrogen 2.788 N/A GLY 357.A N ALA 353.A O no hydrogen 3.170 N/A ALA 358.A N ASN 355.A O no hydrogen 3.160 N/A LYS 360.A N GLY 357.A O no hydrogen 2.909 N/A LYS 360.A NZ LEU 82.A O no hydrogen 3.226 N/A VAL 362.A N ILE 88.A O no hydrogen 3.050 N/A GLN 364.A N VAL 90.A O no hydrogen 2.889 N/A ARG 366.A N ILE 92.A O no hydrogen 2.803 N/A ARG 366.A NE GLU 368.A OE1 no hydrogen 3.305 N/A ARG 366.A NH1 GLN 91.A OE1 no hydrogen 3.112 N/A ARG 366.A NH2 GLU 368.A OE1 no hydrogen 3.130 N/A ARG 369.A N TYR 388.A O no hydrogen 2.985 N/A ARG 369.A NH1 ASP 430.A OD2 no hydrogen 2.792 N/A ARG 369.A NH2 ASP 430.A OD2 no hydrogen 2.903 N/A ALA 371.A N LEU 386.A O no hydrogen 2.768 N/A ASN 372.A N LEU 386.A O no hydrogen 3.284 N/A ALA 373.A N ILE 414.A O no hydrogen 2.989 N/A CYS 374.A N GLN 384.A O no hydrogen 3.143 N/A CYS 374.A SG HIS 375.A O no hydrogen 3.827 N/A HIS 375.A N TYR 444.A O no hydrogen 2.907 N/A SER 376.A N ARG 382.A O no hydrogen 2.915 N/A SER 376.A OG ASN 441.A O no hydrogen 2.546 N/A GLY 377.A N GLN 442.A O no hydrogen 2.900 N/A ARG 382.A NE GLY 377.A O no hydrogen 3.163 N/A ARG 382.A NH1 LEU 614.A O no hydrogen 3.450 N/A ARG 382.A NH1 ASP 615.A O no hydrogen 2.860 N/A ARG 382.A NH2 GLY 377.A O no hydrogen 2.911 N/A ALA 383.A N TYR 399.A O no hydrogen 3.174 N/A GLN 384.A N CYS 374.A O no hydrogen 2.830 N/A GLN 384.A NE2 ALA 381.A O no hydrogen 3.290 N/A LEU 385.A N GLU 397.A O no hydrogen 2.902 N/A LEU 386.A N ASN 372.A O no hydrogen 2.869 N/A SER 387.A N HIS 395.A O no hydrogen 2.835 N/A SER 387.A OG GLU 368.A OE1 no hydrogen 2.512 N/A SER 387.A OG HIS 395.A O no hydrogen 3.564 N/A TYR 388.A N ARG 369.A O no hydrogen 2.899 N/A TYR 388.A OH GLU 436.A O no hydrogen 2.605 N/A ASP 389.A N ALA 393.A O no hydrogen 2.996 N/A HIS 391.A N ASP 389.A OD1 no hydrogen 2.906 N/A ASN 392.A N ASP 389.A O no hydrogen 2.726 N/A ALA 393.A N ASP 389.A OD1 no hydrogen 2.907 N/A HIS 395.A N SER 387.A O no hydrogen 2.773 N/A SER 396.A OG TYR 440.A OH no hydrogen 2.729 N/A GLU 397.A N LEU 385.A O no hydrogen 3.048 N/A TYR 399.A N ALA 383.A O no hydrogen 2.764 N/A TYR 399.A OH TYR 93.A OH no hydrogen 2.694 N/A ASP 400.A N ARG 58.A O no hydrogen 2.808 N/A VAL 402.A N ARG 617.A O no hydrogen 2.952 N/A ILE 403.A N ALA 60.A O no hydrogen 2.803 N/A LEU 404.A N PHE 619.A O no hydrogen 2.734 N/A ALA 405.A N VAL 62.A O no hydrogen 2.709 N/A HIS 408.A N SER 624.A OG no hydrogen 3.089 N/A LEU 411.A N PRO 407.A O no hydrogen 2.887 N/A THR 412.A N HIS 408.A O no hydrogen 3.083 N/A THR 412.A OG1 HIS 408.A O no hydrogen 3.101 N/A ILE 414.A N LEU 411.A O no hydrogen 2.906 N/A VAL 415.A N THR 412.A O no hydrogen 3.140 N/A SER 416.A OG THR 412.A O no hydrogen 2.703 N/A ARG 417.A NE PRO 413.A O no hydrogen 2.943 N/A ARG 417.A NH1 GLY 429.A O no hydrogen 3.421 N/A ARG 417.A NH1 ASP 430.A OD1 no hydrogen 3.526 N/A ARG 417.A NH2 ALA 371.A O no hydrogen 3.073 N/A ARG 417.A NH2 ASP 430.A OD1 no hydrogen 2.991 N/A SER 418.A OG GLN 426.A OE1 no hydrogen 2.831 N/A HIS 422.A NE2 GLN 442.A OE1 no hydrogen 2.865 N/A ALA 423.A N VAL 443.A O no hydrogen 2.845 N/A GLN 426.A N TYR 440.A O no hydrogen 2.969 N/A GLN 426.A NE2 SER 418.A O no hydrogen 2.855 N/A LEU 428.A N HIS 438.A O no hydrogen 2.839 N/A ASP 430.A N TYR 388.A OH no hydrogen 2.855 N/A LEU 433.A N ASP 430.A O no hydrogen 3.064 N/A GLY 434.A N ALA 431.A O no hydrogen 3.034 N/A LEU 435.A N ASP 430.A O no hydrogen 3.177 N/A HIS 438.A N LEU 428.A O no hydrogen 2.851 N/A THR 439.A OG1 ASN 427.A OD1 no hydrogen 2.707 N/A TYR 440.A N GLN 426.A O no hydrogen 2.840 N/A TYR 440.A OH SER 396.A OG no hydrogen 2.729 N/A GLN 442.A N ALA 424.A O no hydrogen 2.906 N/A VAL 443.A N ALA 423.A O no hydrogen 2.853 N/A TYR 444.A N HIS 375.A O no hydrogen 2.944 N/A LEU 449.A N ASN 457.A OD1 no hydrogen 2.835 N/A SER 450.A N ASN 457.A OD1 no hydrogen 3.012 N/A SER 452.A N SER 450.A OG no hydrogen 2.938 N/A SER 453.A N SER 450.A OG no hydrogen 2.855 N/A ALA 456.A N SER 453.A OG no hydrogen 2.945 N/A ASN 457.A N SER 453.A O no hydrogen 3.386 N/A ASN 457.A ND2 PHE 420.A O no hydrogen 2.885 N/A ASN 457.A ND2 SER 450.A O no hydrogen 3.170 N/A ALA 458.A N PRO 454.A O no hydrogen 2.791 N/A ARG 459.A N ALA 455.A O no hydrogen 2.779 N/A ARG 459.A NH1 GLN 598.A OE1 no hydrogen 3.001 N/A ARG 459.A NH2 HIS 597.A O no hydrogen 2.996 N/A THR 462.A N ALA 458.A O no hydrogen 2.754 N/A THR 462.A OG1 ALA 458.A O no hydrogen 2.763 N/A THR 462.A OG1 ARG 459.A O no hydrogen 3.297 N/A ALA 463.A N ARG 459.A O no hydrogen 2.885 N/A ILE 464.A N ILE 460.A O no hydrogen 3.068 N/A GLY 465.A N VAL 461.A O no hydrogen 3.077 N/A GLN 466.A N ALA 463.A O no hydrogen 3.189 N/A LEU 467.A N ILE 464.A O no hydrogen 3.508 N/A HIS 468.A ND1 LEU 590.A O no hydrogen 3.198 N/A ALA 470.A N PHE 588.A O no hydrogen 2.739 N/A ARG 471.A N GLU 528.A OE1 no hydrogen 2.953 N/A SER 473.A N THR 526.A O no hydrogen 2.970 N/A LYS 474.A N PHE 580.A O no hydrogen 2.868 N/A LYS 474.A NZ VAL 135.A O no hydrogen 2.864 N/A VAL 475.A N SER 524.A O no hydrogen 2.887 N/A PHE 476.A N PHE 578.A O no hydrogen 2.773 N/A ALA 477.A N LEU 521.A O no hydrogen 2.944 N/A THR 478.A OG1 TYR 133.A OH no hydrogen 2.923 N/A THR 478.A OG1 ASP 576.A OD2 no hydrogen 3.119 N/A VAL 479.A N SER 519.A O no hydrogen 2.957 N/A LYS 480.A NZ GLU 517.A OE2 no hydrogen 2.362 N/A LYS 480.A NZ TYR 518.A OH no hydrogen 2.702 N/A THR 481.A N GLU 517.A O no hydrogen 2.913 N/A THR 481.A OG1 PRO 516.A O no hydrogen 2.779 N/A THR 481.A OG1 SER 519.A OG no hydrogen 2.632 N/A ALA 483.A N LYS 480.A O no hydrogen 2.818 N/A LEU 484.A N THR 481.A O no hydrogen 3.083 N/A ASP 485.A N ALA 482.A O no hydrogen 2.882 N/A GLN 486.A N ALA 483.A O no hydrogen 3.087 N/A VAL 489.A N GLN 486.A O no hydrogen 3.054 N/A TRP 492.A N GLU 495.A O no hydrogen 2.821 N/A TRP 492.A NE1 ASP 190.A O no hydrogen 2.903 N/A GLU 495.A N TRP 492.A O no hydrogen 3.273 N/A ILE 497.A N PRO 490.A O no hydrogen 2.940 N/A VAL 500.A N SER 509.A O no hydrogen 2.774 N/A VAL 501.A N GLU 173.A O no hydrogen 2.894 N/A SER 502.A N ALA 507.A O no hydrogen 3.094 N/A SER 502.A OG SER 504.A OG no hydrogen 2.869 N/A ASP 503.A N VAL 175.A O no hydrogen 3.078 N/A SER 504.A OG SER 502.A OG no hydrogen 2.869 N/A LEU 506.A N SER 504.A OG no hydrogen 3.101 N/A ALA 508.A N LEU 506.A O no hydrogen 2.830 N/A SER 509.A N VAL 500.A O no hydrogen 2.834 N/A SER 509.A OG ALA 523.A O no hydrogen 2.613 N/A TYR 510.A N LEU 522.A O no hydrogen 2.803 N/A VAL 511.A N LYS 498.A O no hydrogen 3.143 N/A VAL 512.A N SER 520.A O no hydrogen 2.927 N/A SER 514.A OG SER 514.A O no hydrogen 2.550 N/A SER 519.A N VAL 479.A O no hydrogen 2.809 N/A SER 519.A OG THR 481.A OG1 no hydrogen 2.632 N/A LEU 521.A N ALA 477.A O no hydrogen 2.865 N/A LEU 522.A N TYR 510.A O no hydrogen 2.742 N/A ALA 523.A N VAL 475.A O no hydrogen 2.812 N/A SER 524.A N VAL 475.A O no hydrogen 3.273 N/A SER 524.A OG LEU 506.A O no hydrogen 2.795 N/A TYR 525.A N ALA 508.A O no hydrogen 2.904 N/A THR 526.A N SER 473.A O no hydrogen 2.966 N/A THR 526.A OG1 SER 473.A O no hydrogen 3.534 N/A GLU 528.A N ARG 471.A O no hydrogen 2.883 N/A ASP 530.A N TRP 527.A O no hydrogen 2.930 N/A SER 531.A N GLU 528.A O no hydrogen 2.906 N/A SER 531.A OG GLU 528.A O no hydrogen 2.580 N/A THR 532.A N ASP 529.A O no hydrogen 3.129 N/A THR 532.A OG1 ASP 529.A O no hydrogen 3.287 N/A ARG 533.A NE ASP 530.A OD1 no hydrogen 3.494 N/A ARG 535.A N THR 532.A O no hydrogen 3.363 N/A GLY 539.A N THR 536.A OG1 no hydrogen 3.255 N/A MET 540.A N THR 536.A O no hydrogen 3.116 N/A TYR 541.A N ALA 537.A O no hydrogen 2.769 N/A TYR 541.A OH LEU 569.A O no hydrogen 2.692 N/A ARG 542.A N ASP 538.A O no hydrogen 2.860 N/A THR 543.A N GLY 539.A O no hydrogen 3.199 N/A THR 543.A OG1 GLY 539.A O no hydrogen 3.280 N/A MET 544.A N MET 540.A O no hydrogen 3.288 N/A VAL 545.A N TYR 541.A O no hydrogen 2.891 N/A ASN 546.A N ARG 542.A O no hydrogen 2.853 N/A ARG 547.A N THR 543.A O no hydrogen 3.372 N/A ARG 547.A N MET 544.A O no hydrogen 2.946 N/A ALA 548.A N MET 544.A O no hydrogen 3.389 N/A ALA 548.A N VAL 545.A O no hydrogen 2.980 N/A TYR 549.A N ASN 546.A O no hydrogen 3.197 N/A ARG 550.A N ALA 548.A O no hydrogen 2.882 N/A ARG 550.A NH1 ARG 547.A O no hydrogen 2.617 N/A VAL 552.A N GLN 561.A O no hydrogen 3.078 N/A LYS 553.A NZ TYR 554.A O no hydrogen 2.787 N/A LYS 553.A NZ ALA 557.A O no hydrogen 3.026 N/A TYR 554.A OH GLU 173.A OE1 no hydrogen 3.407 N/A TYR 554.A OH GLU 173.A OE2 no hydrogen 2.642 N/A TRP 563.A N ARG 550.A O no hydrogen 2.809 N/A TRP 563.A NE1 GLU 173.A OE2 no hydrogen 2.976 N/A TRP 564.A NE1 GLU 173.A OE1 no hydrogen 2.949 N/A LEU 568.A N TRP 564.A O no hydrogen 3.073 N/A LEU 569.A N PHE 565.A O no hydrogen 2.881 N/A ALA 570.A N TYR 566.A O no hydrogen 3.033 N/A GLU 571.A N LEU 568.A O no hydrogen 2.905 N/A ALA 572.A N LEU 569.A O no hydrogen 3.206 N/A ARG 573.A N THR 478.A O no hydrogen 2.869 N/A ARG 573.A NE ASP 576.A OD1 no hydrogen 3.194 N/A ARG 577.A NE ARG 573.A O no hydrogen 3.211 N/A ARG 577.A NH2 ALA 572.A O no hydrogen 2.903 N/A PHE 578.A N PHE 476.A O no hydrogen 3.007 N/A PHE 580.A N LYS 474.A O no hydrogen 2.696 N/A TRP 582.A N SER 473.A OG no hydrogen 3.154 N/A TRP 582.A NE1 SER 531.A OG no hydrogen 2.869 N/A THR 583.A N ASP 581.A OD1 no hydrogen 2.869 N/A THR 583.A OG1 ASP 581.A OD1 no hydrogen 2.737 N/A THR 583.A OG1 ASP 581.A OD2 no hydrogen 3.307 N/A THR 584.A N ASP 581.A O no hydrogen 3.101 N/A THR 584.A OG1 ASP 581.A OD2 no hydrogen 3.303 N/A ASN 585.A N ASP 581.A O no hydrogen 2.785 N/A PHE 588.A N ALA 470.A O no hydrogen 3.065 N/A LYS 589.A NZ ASP 591.A OD1 no hydrogen 2.976 N/A LYS 589.A NZ SER 626.A O no hydrogen 2.972 N/A LEU 590.A N HIS 468.A O no hydrogen 3.055 N/A ASP 591.A N GLU 322.A OE2 no hydrogen 2.842 N/A MET 592.A N ASP 595.A OD2 no hydrogen 2.999 N/A GLY 594.A N ASP 261.A O no hydrogen 3.166 N/A ASP 595.A N MET 592.A O no hydrogen 2.982 N/A HIS 597.A ND1 GLY 594.A O no hydrogen 3.169 N/A GLN 598.A N ASP 595.A O no hydrogen 2.835 N/A GLN 598.A NE2 GLY 594.A O no hydrogen 3.374 N/A SER 599.A N ASP 595.A O no hydrogen 2.854 N/A SER 599.A OG ASP 591.A OD2 no hydrogen 2.607 N/A SER 599.A OG ASP 595.A O no hydrogen 3.339 N/A SER 599.A OG HIS 596.A O no hydrogen 3.476 N/A ASN 600.A N HIS 596.A O no hydrogen 2.733 N/A ASN 600.A ND2 HIS 627.A NE2 no hydrogen 2.937 N/A CYS 602.A N GLN 598.A O no hydrogen 3.306 N/A CYS 602.A SG GLN 598.A O no hydrogen 3.521 N/A PHE 603.A N SER 599.A O no hydrogen 2.843 N/A ARG 604.A N ASN 600.A O no hydrogen 2.980 N/A ARG 604.A NE ASN 600.A OD1 no hydrogen 2.844 N/A ARG 604.A NH1 ARG 670.A O no hydrogen 2.892 N/A TYR 605.A N CYS 602.A O no hydrogen 3.242 N/A TYR 605.A OH PHE 618.A O no hydrogen 2.848 N/A HIS 606.A NE2 LEU 665.A O no hydrogen 2.875 N/A THR 607.A N ARG 604.A O no hydrogen 2.919 N/A THR 607.A OG1 ARG 604.A O no hydrogen 2.656 N/A HIS 608.A N TYR 605.A O no hydrogen 2.968 N/A HIS 608.A NE2 PHE 618.A O no hydrogen 2.887 N/A ALA 609.A N HIS 606.A O no hydrogen 3.251 N/A LEU 610.A N THR 607.A O no hydrogen 3.049 N/A ALA 611.A N HIS 608.A O no hydrogen 3.073 N/A ASN 616.A ND2 LEU 448.A O no hydrogen 2.835 N/A ASN 616.A ND2 TYR 605.A OH no hydrogen 2.945 N/A ARG 617.A NE ASP 615.A OD1 no hydrogen 2.895 N/A ARG 617.A NH1 SER 380.A O no hydrogen 2.730 N/A ARG 617.A NH1 ASP 400.A O no hydrogen 2.967 N/A ARG 617.A NH2 ALA 379.A O no hydrogen 3.468 N/A ARG 617.A NH2 ASP 615.A OD1 no hydrogen 3.414 N/A ARG 617.A NH2 ASP 615.A OD2 no hydrogen 3.017 N/A PHE 618.A N ASN 616.A OD1 no hydrogen 2.902 N/A PHE 619.A N VAL 402.A O no hydrogen 2.952 N/A ALA 621.A N LEU 404.A O no hydrogen 2.939 N/A SER 622.A N SER 638.A OG no hydrogen 3.051 N/A SER 622.A OG ASP 623.A OD1 no hydrogen 3.546 N/A SER 624.A N SER 622.A OG no hydrogen 3.281 N/A TYR 625.A N SER 622.A O no hydrogen 2.939 N/A TYR 625.A OH VAL 406.A O no hydrogen 2.709 N/A SER 626.A N ASP 623.A O no hydrogen 3.262 N/A SER 626.A OG ASP 623.A O no hydrogen 2.775 N/A LEU 628.A N SER 626.A OG no hydrogen 2.972 N/A GLY 630.A N ASP 623.A OD2 no hydrogen 2.969 N/A TRP 631.A N LEU 628.A O no hydrogen 3.395 N/A GLY 634.A N TRP 631.A O no hydrogen 2.799 N/A ALA 635.A N TRP 631.A O no hydrogen 3.408 N/A PHE 636.A N LEU 632.A O no hydrogen 2.798 N/A MET 637.A N GLU 633.A O no hydrogen 2.967 N/A SER 638.A N GLY 634.A O no hydrogen 3.029 N/A SER 638.A OG ILE 620.A O no hydrogen 3.504 N/A SER 638.A OG SER 622.A O no hydrogen 3.283 N/A ALA 639.A N ALA 635.A O no hydrogen 3.004 N/A LEU 640.A N PHE 636.A O no hydrogen 2.988 N/A ASN 641.A N MET 637.A O no hydrogen 2.920 N/A ALA 642.A N SER 638.A O no hydrogen 2.944 N/A VAL 643.A N ALA 639.A O no hydrogen 3.043 N/A ALA 644.A N LEU 640.A O no hydrogen 2.966 N/A GLY 645.A N ASN 641.A O no hydrogen 2.879 N/A LEU 646.A N ALA 642.A O no hydrogen 2.923 N/A ILE 647.A N VAL 643.A O no hydrogen 2.972 N/A VAL 648.A N ALA 644.A O no hydrogen 3.203 N/A ARG 649.A N GLY 645.A O no hydrogen 2.878 N/A ARG 649.A NE ASN 616.A O no hydrogen 2.664 N/A ARG 649.A NH1 ALA 611.A O no hydrogen 2.834 N/A ARG 649.A NH2 HIS 608.A ND1 no hydrogen 3.053 N/A ARG 649.A NH2 ALA 611.A O no hydrogen 3.406 N/A ALA 650.A N LEU 646.A O no hydrogen 2.850 N/A ASN 651.A N ILE 647.A O no hydrogen 3.162 N/A ASN 651.A N VAL 648.A O no hydrogen 3.142 N/A ASN 651.A ND2 ARG 51.A O no hydrogen 2.964 N/A ASN 651.A ND2 ILE 647.A O no hydrogen 2.776 N/A ARG 652.A N ARG 649.A O no hydrogen 2.961 N/A GLY 653.A N VAL 648.A O no hydrogen 2.866 N/A ASP 654.A N ASN 651.A O no hydrogen 3.120 N/A SER 656.A N ASP 654.A OD1 no hydrogen 3.060 N/A SER 656.A OG ASP 654.A OD1 no hydrogen 2.800 N/A SER 656.A OG ASP 654.A OD2 no hydrogen 3.078 N/A ALA 657.A N ASP 654.A O no hydrogen 3.139 N/A LEU 658.A N VAL 655.A O no hydrogen 2.989 N/A SER 659.A N LEU 49.A O no hydrogen 2.892 N/A GLU 661.A N GLU 661.A OE2 no hydrogen 2.731 N/A ALA 662.A N SER 659.A OG no hydrogen 2.868 N/A ARG 663.A N SER 659.A O no hydrogen 2.877 N/A ARG 663.A NE VAL 655.A O no hydrogen 3.141 N/A ARG 663.A NH2 SER 656.A O no hydrogen 3.553 N/A ARG 663.A NH2 LEU 658.A O no hydrogen 2.947 N/A LEU 665.A N ALA 662.A O no hydrogen 2.971 N/A VAL 666.A N ARG 663.A O no hydrogen 3.080 N/A ILE 667.A N ARG 663.A O no hydrogen 3.004 N/A GLY 668.A N PRO 664.A O no hydrogen 2.954 N/A VAL 672.A N THR 607.A OG1 no hydrogen 2.963 N/A LYS 674.A NZ SER 450.A OG no hydrogen 2.844 N/A