Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vgd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N THR 12.A O no hydrogen 3.006 N/A TYR 2.A OH ILE 83.A O no hydrogen 2.875 N/A LYS 3.A N ILE 10.A O no hydrogen 3.022 N/A ASP 5.A N GLU 8.A O no hydrogen 2.701 N/A GLU 8.A N ASP 5.A O no hydrogen 3.173 N/A VAL 9.A N LEU 45.A O no hydrogen 2.880 N/A ILE 10.A N LYS 3.A O no hydrogen 2.935 N/A PHE 11.A N ILE 43.A O no hydrogen 2.882 N/A THR 12.A N ALA 1.A O no hydrogen 2.921 N/A LEU 13.A N PHE 41.A O no hydrogen 2.818 N/A ALA 15.A N GLY 39.A O no hydrogen 2.977 N/A TYR 17.A N LEU 199.A O no hydrogen 2.994 N/A GLN 18.A N ALA 15.A O no hydrogen 2.897 N/A GLN 18.A NE2 LYS 198.A O no hydrogen 3.048 N/A LYS 19.A N ASP 59.A OD2 no hydrogen 2.829 N/A LYS 19.A NZ TYR 17.A O no hydrogen 3.498 N/A SER 20.A N ASP 59.A OD1 no hydrogen 2.853 N/A SER 20.A OG ASP 59.A OD1 no hydrogen 3.411 N/A LYS 22.A N VAL 57.A O no hydrogen 2.977 N/A LEU 23.A N TYR 31.A O no hydrogen 2.865 N/A LYS 24.A N LYS 55.A O no hydrogen 2.901 N/A LYS 24.A NZ GLU 63.A OE2 no hydrogen 3.510 N/A VAL 25.A N GLY 29.A O no hydrogen 3.045 N/A LEU 26.A N ARG 53.A O no hydrogen 2.940 N/A LYS 28.A N VAL 25.A O no hydrogen 2.850 N/A LYS 28.A NZ ASN 47.A O no hydrogen 2.867 N/A LYS 28.A NZ ASP 52.A OD1 no hydrogen 2.668 N/A LYS 28.A NZ ASP 52.A OD2 no hydrogen 3.331 N/A GLY 29.A N VAL 25.A O no hydrogen 3.249 N/A TYR 31.A N LEU 23.A O no hydrogen 2.780 N/A MET 33.A N VAL 21.A O no hydrogen 3.152 N/A GLU 34.A N THR 42.A O no hydrogen 2.859 N/A ARG 35.A NE GLN 18.A O no hydrogen 3.097 N/A ARG 35.A NH2 GLN 18.A O no hydrogen 3.079 N/A ASP 36.A N TYR 40.A O no hydrogen 3.026 N/A GLY 39.A N ASP 36.A O no hydrogen 2.912 N/A TYR 40.A N ASP 36.A OD1 no hydrogen 3.244 N/A TYR 40.A OH GLU 224.A OE2 no hydrogen 2.753 N/A PHE 41.A N LEU 13.A O no hydrogen 2.671 N/A THR 42.A N GLU 34.A O no hydrogen 2.807 N/A ILE 43.A N PHE 11.A O no hydrogen 3.261 N/A LEU 45.A N VAL 9.A O no hydrogen 2.957 N/A ASN 47.A N ASN 47.A OD1 no hydrogen 2.707 N/A ASN 47.A ND2 TYR 31.A OH no hydrogen 3.289 N/A LYS 49.A N ASP 52.A OD1 no hydrogen 2.854 N/A ARG 51.A N ILE 82.A O no hydrogen 2.818 N/A ASP 52.A N LYS 49.A O no hydrogen 3.057 N/A ARG 53.A NE GLN 81.A OE1 no hydrogen 3.325 N/A ARG 53.A NH1 GLU 74.A OE1 no hydrogen 2.827 N/A ARG 53.A NH2 GLN 81.A OE1 no hydrogen 3.383 N/A TYR 54.A N SER 80.A O no hydrogen 2.881 N/A TYR 54.A OH ASP 66.A OD2 no hydrogen 2.709 N/A LYS 55.A N LYS 24.A O no hydrogen 2.915 N/A LYS 55.A NZ HIS 77.A O no hydrogen 2.920 N/A TYR 56.A N ILE 64.A O no hydrogen 2.834 N/A VAL 57.A N LYS 22.A O no hydrogen 2.831 N/A LEU 58.A N SER 62.A O no hydrogen 2.828 N/A ASP 59.A N GLN 18.A OE1 no hydrogen 2.732 N/A ALA 61.A N LEU 58.A O no hydrogen 2.902 N/A SER 62.A N ASP 60.A OD1 no hydrogen 3.226 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.688 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 3.513 N/A ILE 64.A N TYR 56.A O no hydrogen 2.813 N/A ASP 66.A N SER 80.A OG no hydrogen 2.827 N/A ALA 68.A N ASP 66.A OD1 no hydrogen 2.991 N/A SER 69.A N ASP 66.A O no hydrogen 2.749 N/A TYR 71.A N SER 69.A OG no hydrogen 3.103 N/A GLN 72.A NE2 SER 69.A OG no hydrogen 2.540 N/A GLN 72.A NE2 SER 80.A OG no hydrogen 2.802 N/A GLY 75.A N GLN 72.A O no hydrogen 3.108 N/A HIS 77.A ND1 TYR 195.A OH no hydrogen 2.758 N/A HIS 77.A NE2 GLU 192.A OE2 no hydrogen 2.987 N/A GLY 78.A N GLY 75.A O no hydrogen 3.321 N/A SER 80.A N TYR 54.A O no hydrogen 2.887 N/A GLN 81.A N TYR 71.A O no hydrogen 2.966 N/A ILE 82.A N ASP 52.A O no hydrogen 2.982 N/A ILE 83.A N TYR 2.A OH no hydrogen 2.740 N/A SER 86.A OG GLU 239.A O no hydrogen 3.520 N/A THR 91.A OG1 ASP 243.A OD1 no hydrogen 2.695 N/A LEU 93.A N THR 91.A OG1 no hydrogen 3.148 N/A LYS 95.A NZ ASP 299.A O no hydrogen 3.018 N/A LYS 95.A NZ CYS 363.A O no hydrogen 3.090 N/A GLU 96.A N GLU 96.A OE2 no hydrogen 2.937 N/A ASP 97.A N LYS 94.A O no hydrogen 2.772 N/A LEU 98.A N LYS 95.A O no hydrogen 3.327 N/A ILE 99.A N THR 130.A OG1 no hydrogen 2.974 N/A ILE 100.A N PRO 407.A O no hydrogen 2.911 N/A TYR 101.A N ALA 131.A O no hydrogen 2.969 N/A TYR 101.A OH GLU 414.A OE1 no hydrogen 2.688 N/A TYR 101.A OH GLU 414.A OE2 no hydrogen 3.360 N/A GLU 102.A N ILE 409.A O no hydrogen 2.784 N/A ILE 103.A N GLU 133.A O no hydrogen 2.799 N/A THR 107.A N HIS 104.A O no hydrogen 3.221 N/A THR 107.A OG1 HIS 104.A O no hydrogen 3.469 N/A PHE 108.A N HIS 104.A O no hydrogen 2.873 N/A THR 109.A OG1 GLU 111.A OE2 no hydrogen 3.481 N/A THR 109.A OG1 GLY 116.A O no hydrogen 3.518 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.805 N/A PHE 114.A N TYR 160.A O no hydrogen 2.964 N/A GLY 116.A N THR 113.A OG1 no hydrogen 3.345 N/A VAL 117.A N THR 113.A O no hydrogen 3.297 N/A ILE 118.A N PHE 114.A O no hydrogen 2.919 N/A ARG 119.A N GLU 115.A O no hydrogen 3.055 N/A ARG 119.A NE GLU 111.A OE1 no hydrogen 2.599 N/A ARG 119.A NH2 GLU 111.A OE1 no hydrogen 3.366 N/A ARG 119.A NH2 GLU 111.A OE2 no hydrogen 2.845 N/A LYS 120.A N VAL 117.A O no hydrogen 2.998 N/A LEU 121.A N ILE 118.A O no hydrogen 3.246 N/A TYR 123.A OH GLU 414.A OE1 no hydrogen 2.521 N/A LEU 124.A N LYS 120.A O no hydrogen 2.946 N/A LYS 125.A N LEU 121.A O no hydrogen 2.829 N/A LYS 125.A NZ LYS 176.A O no hydrogen 3.284 N/A ASP 126.A N ASP 122.A O no hydrogen 3.111 N/A LEU 127.A N TYR 123.A O no hydrogen 2.986 N/A GLY 128.A N LEU 124.A O no hydrogen 3.224 N/A THR 130.A N ILE 99.A O no hydrogen 3.007 N/A THR 130.A OG1 ASP 97.A O no hydrogen 3.079 N/A THR 130.A OG1 ILE 99.A O no hydrogen 3.454 N/A ALA 131.A N ILE 99.A O no hydrogen 3.239 N/A ILE 132.A N GLY 179.A O no hydrogen 2.915 N/A GLU 133.A N TYR 101.A O no hydrogen 2.806 N/A ILE 134.A N ILE 181.A O no hydrogen 2.841 N/A MET 135.A N ILE 103.A O no hydrogen 3.044 N/A GLN 139.A N ALA 155.A O no hydrogen 2.790 N/A PHE 140.A N GLN 157.A OE1 no hydrogen 2.756 N/A LYS 143.A N ASP 426.A OD2 no hydrogen 2.622 N/A ARG 144.A N ASP 426.A OD2 no hydrogen 3.286 N/A TRP 146.A NE1 TYR 422.A O no hydrogen 2.927 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 2.710 N/A TYR 148.A OH ASP 183.A OD2 no hydrogen 2.659 N/A ASP 149.A N ASP 145.A OD1 no hydrogen 3.310 N/A GLY 150.A N GLY 147.A O no hydrogen 3.000 N/A VAL 151.A N GLN 139.A O no hydrogen 2.792 N/A TYR 152.A OH VAL 76.A O no hydrogen 3.044 N/A TYR 152.A OH GLY 193.A O no hydrogen 3.068 N/A TYR 154.A OH PHE 228.A O no hydrogen 2.717 N/A ALA 155.A N TYR 152.A O no hydrogen 2.916 N/A GLN 157.A N ILE 137.A O no hydrogen 2.744 N/A GLN 157.A NE2 GLY 142.A O no hydrogen 2.789 N/A GLN 157.A NE2 SER 159.A OG no hydrogen 3.039 N/A ASN 158.A ND2 PRO 73.A O no hydrogen 2.962 N/A TYR 160.A N GLN 157.A O no hydrogen 3.293 N/A GLY 161.A N ASN 158.A O no hydrogen 3.015 N/A GLY 162.A N GLN 157.A O no hydrogen 2.989 N/A GLY 165.A N GLY 161.A O no hydrogen 3.194 N/A PHE 166.A N GLY 162.A O no hydrogen 3.163 N/A ARG 167.A N PRO 163.A O no hydrogen 3.076 N/A ARG 167.A NE GLU 239.A O no hydrogen 3.235 N/A ARG 167.A NH2 GLU 239.A O no hydrogen 3.511 N/A LYS 168.A N GLU 164.A O no hydrogen 2.919 N/A LYS 168.A NZ GLU 115.A OE1 no hydrogen 2.861 N/A LYS 168.A NZ GLU 115.A OE2 no hydrogen 2.941 N/A LEU 169.A N GLY 165.A O no hydrogen 2.833 N/A VAL 170.A N PHE 166.A O no hydrogen 2.864 N/A ASP 171.A N ARG 167.A O no hydrogen 2.982 N/A GLU 172.A N LYS 168.A O no hydrogen 2.883 N/A ALA 173.A N LEU 169.A O no hydrogen 2.831 N/A HIS 174.A N VAL 170.A O no hydrogen 3.029 N/A HIS 174.A NE2 ASP 243.A OD2 no hydrogen 2.782 N/A LYS 175.A N ASP 171.A O no hydrogen 3.058 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 3.125 N/A LYS 176.A N GLU 172.A O no hydrogen 3.097 N/A LYS 176.A NZ ASP 122.A OD1 no hydrogen 2.937 N/A GLY 177.A N HIS 174.A O no hydrogen 3.015 N/A LEU 178.A N ALA 173.A O no hydrogen 2.821 N/A GLY 179.A N THR 130.A O no hydrogen 2.908 N/A VAL 180.A N ASP 243.A OD2 no hydrogen 2.635 N/A ILE 181.A N ILE 132.A O no hydrogen 2.796 N/A LEU 182.A N GLY 244.A O no hydrogen 2.904 N/A ASP 183.A N ILE 134.A O no hydrogen 2.978 N/A VAL 184.A N ARG 246.A O no hydrogen 2.917 N/A TYR 186.A OH ASN 232.A OD1 no hydrogen 2.696 N/A ASN 187.A ND2 GLU 248.A O no hydrogen 3.008 N/A ASN 187.A ND2 GLU 248.A OE1 no hydrogen 2.674 N/A GLY 190.A N GLY 150.A O no hydrogen 3.067 N/A TYR 195.A OH HIS 77.A ND1 no hydrogen 2.758 N/A LYS 198.A N TYR 195.A O no hydrogen 2.995 N/A LYS 198.A NZ SER 62.A OG no hydrogen 3.343 N/A LEU 199.A N MET 196.A O no hydrogen 2.738 N/A GLY 200.A N MET 196.A O no hydrogen 3.345 N/A TYR 202.A N GLY 200.A O no hydrogen 2.743 N/A SER 204.A N THR 214.A O no hydrogen 2.816 N/A GLN 205.A NE2 PHE 203.A O no hydrogen 3.302 N/A LYS 206.A N SER 204.A OG no hydrogen 3.052 N/A LYS 206.A NZ ASP 218.A OD1 no hydrogen 3.192 N/A TYR 207.A N SER 204.A OG no hydrogen 3.299 N/A TYR 207.A OH ASP 218.A OD2 no hydrogen 2.698 N/A THR 209.A N GLY 212.A O no hydrogen 2.772 N/A THR 209.A OG1 GLY 212.A O no hydrogen 3.422 N/A THR 214.A OG1 ASN 187.A O no hydrogen 2.665 N/A THR 214.A OG1 ALA 252.A O no hydrogen 3.106 N/A ASN 216.A N TYR 202.A O no hydrogen 2.787 N/A ASN 216.A ND2 PRO 201.A O no hydrogen 3.102 N/A ASN 216.A ND2 ALA 220.A O no hydrogen 2.956 N/A ASP 219.A N ASN 216.A OD1 no hydrogen 2.930 N/A ALA 220.A N ASP 219.A OD1 no hydrogen 2.720 N/A SER 222.A N ASP 219.A O no hydrogen 3.071 N/A SER 222.A OG ASP 219.A O no hydrogen 2.576 N/A ARG 226.A N SER 222.A O no hydrogen 2.908 N/A ARG 226.A NH1 PHE 217.A O no hydrogen 2.923 N/A ARG 226.A NH1 ASP 255.A OD1 no hydrogen 3.317 N/A ARG 226.A NH1 ASP 255.A OD2 no hydrogen 2.695 N/A ARG 226.A NH2 ASP 255.A OD2 no hydrogen 3.507 N/A ARG 226.A NH2 LYS 259.A O no hydrogen 2.852 N/A ARG 226.A NH2 GLU 264.A OE2 no hydrogen 2.863 N/A LYS 227.A N ASP 223.A O no hydrogen 3.055 N/A LYS 227.A NZ GLU 224.A OE2 no hydrogen 3.202 N/A PHE 228.A N GLU 224.A O no hydrogen 2.946 N/A ILE 229.A N VAL 225.A O no hydrogen 3.246 N/A LEU 230.A N ARG 226.A O no hydrogen 2.892 N/A GLU 231.A N LYS 227.A O no hydrogen 2.781 N/A ASN 232.A ND2 LEU 153.A O no hydrogen 2.998 N/A VAL 233.A N ILE 229.A O no hydrogen 3.210 N/A GLU 234.A N LEU 230.A O no hydrogen 3.296 N/A TYR 235.A N GLU 231.A O no hydrogen 2.740 N/A TYR 235.A OH TYR 154.A O no hydrogen 3.101 N/A TRP 236.A N ASN 232.A O no hydrogen 3.120 N/A TRP 236.A NE1 ASN 232.A OD1 no hydrogen 2.990 N/A ILE 237.A N VAL 233.A O no hydrogen 3.347 N/A LYS 238.A N GLU 234.A O no hydrogen 2.987 N/A LYS 238.A NZ GLU 234.A OE2 no hydrogen 2.894 N/A LYS 238.A NZ TYR 272.A OH no hydrogen 3.180 N/A GLU 239.A N TYR 235.A O no hydrogen 2.887 N/A TYR 240.A N TRP 236.A O no hydrogen 3.181 N/A ASN 241.A N ILE 237.A O no hydrogen 2.848 N/A VAL 242.A N TRP 236.A O no hydrogen 3.494 N/A ASP 243.A N VAL 180.A O no hydrogen 2.952 N/A PHE 245.A N ILE 275.A O no hydrogen 2.920 N/A ARG 246.A N LEU 182.A O no hydrogen 2.788 N/A ARG 246.A NH1 ASP 183.A OD1 no hydrogen 2.853 N/A LEU 247.A N ILE 277.A O no hydrogen 2.723 N/A GLU 248.A N VAL 184.A O no hydrogen 2.956 N/A ALA 249.A N GLU 279.A OE1 no hydrogen 2.740 N/A VAL 250.A N GLU 279.A O no hydrogen 2.932 N/A ALA 252.A N ALA 249.A O no hydrogen 2.925 N/A ILE 253.A N VAL 250.A O no hydrogen 3.093 N/A THR 256.A N ASP 218.A OD2 no hydrogen 2.892 N/A THR 256.A OG1 ASP 218.A OD2 no hydrogen 2.827 N/A SER 257.A N ASP 255.A OD1 no hydrogen 3.098 N/A SER 257.A OG PHE 217.A O no hydrogen 3.496 N/A SER 257.A OG ASP 255.A OD1 no hydrogen 2.745 N/A ILE 261.A N ASP 255.A OD2 no hydrogen 2.739 N/A GLU 264.A N HIS 260.A O no hydrogen 3.181 N/A ILE 265.A N ILE 261.A O no hydrogen 2.808 N/A ALA 266.A N LEU 262.A O no hydrogen 3.179 N/A ASP 267.A N GLU 263.A O no hydrogen 2.968 N/A VAL 268.A N GLU 264.A O no hydrogen 2.982 N/A VAL 269.A N ILE 265.A O no hydrogen 3.041 N/A HIS 270.A N ALA 266.A O no hydrogen 2.868 N/A HIS 270.A NE2 ASP 299.A OD1 no hydrogen 3.113 N/A HIS 270.A NE2 ASP 299.A OD2 no hydrogen 2.697 N/A LYS 271.A N ASP 267.A O no hydrogen 2.877 N/A TYR 272.A N VAL 268.A O no hydrogen 3.431 N/A ASN 273.A N HIS 270.A O no hydrogen 2.927 N/A ASN 273.A ND2 ASN 89.A O no hydrogen 2.917 N/A ARG 274.A N VAL 269.A O no hydrogen 2.776 N/A ARG 274.A NE TYR 272.A O no hydrogen 2.976 N/A ARG 274.A NH1 VAL 242.A O no hydrogen 3.116 N/A ARG 274.A NH2 ASN 88.A O no hydrogen 2.381 N/A ARG 274.A NH2 TYR 272.A O no hydrogen 3.301 N/A ILE 275.A N ASP 243.A O no hydrogen 3.288 N/A VAL 276.A N ASP 299.A OD2 no hydrogen 2.835 N/A ILE 277.A N PHE 245.A O no hydrogen 2.848 N/A ALA 278.A N ALA 300.A O no hydrogen 2.843 N/A GLU 279.A N LEU 247.A O no hydrogen 2.927 N/A LEU 282.A N SER 280.A OG no hydrogen 3.090 N/A ASN 283.A ND2 ASP 305.A OD2 no hydrogen 2.770 N/A ASN 283.A ND2 TYR 341.A O no hydrogen 2.904 N/A ARG 286.A N ASP 284.A OD1 no hydrogen 3.204 N/A VAL 287.A N ASP 284.A O no hydrogen 3.350 N/A VAL 288.A N PRO 285.A O no hydrogen 3.044 N/A ASN 289.A N PRO 285.A O no hydrogen 2.668 N/A LYS 291.A NZ ASP 267.A OD1 no hydrogen 2.777 N/A LYS 293.A N PRO 290.A O no hydrogen 2.944 N/A CYS 294.A N LYS 291.A O no hydrogen 2.889 N/A GLY 295.A N PRO 290.A O no hydrogen 3.041 N/A TYR 296.A N ARG 286.A O no hydrogen 2.721 N/A ASN 297.A N ASN 289.A O no hydrogen 2.782 N/A ILE 298.A N VAL 287.A O no hydrogen 3.169 N/A ASP 299.A N VAL 276.A O no hydrogen 2.991 N/A GLN 301.A N ASN 364.A O no hydrogen 2.908 N/A GLN 301.A NE2 TRP 302.A O no hydrogen 2.936 N/A TRP 302.A N ALA 278.A O no hydrogen 2.798 N/A VAL 303.A N VAL 366.A O no hydrogen 2.968 N/A PHE 306.A N VAL 303.A O no hydrogen 3.330 N/A HIS 307.A NE2 TYR 322.A OH no hydrogen 3.156 N/A HIS 308.A N ASP 304.A O no hydrogen 2.761 N/A SER 309.A N ASP 305.A O no hydrogen 3.025 N/A SER 309.A OG ASP 305.A O no hydrogen 3.360 N/A SER 309.A OG PHE 306.A O no hydrogen 2.840 N/A ILE 310.A N PHE 306.A O no hydrogen 3.172 N/A HIS 311.A N HIS 307.A O no hydrogen 2.835 N/A HIS 311.A NE2 GLU 317.A OE1 no hydrogen 2.684 N/A ALA 312.A N HIS 308.A O no hydrogen 2.889 N/A TYR 313.A N SER 309.A O no hydrogen 3.192 N/A LEU 314.A N ILE 310.A O no hydrogen 2.867 N/A THR 315.A N HIS 311.A O no hydrogen 2.879 N/A THR 315.A OG1 HIS 311.A O no hydrogen 2.668 N/A GLY 316.A N ALA 312.A O no hydrogen 3.130 N/A GLU 317.A N THR 315.A OG1 no hydrogen 3.116 N/A ARG 318.A NH1 ALA 312.A O no hydrogen 2.750 N/A ARG 318.A NH1 GLU 317.A O no hydrogen 2.781 N/A TYR 321.A OH GLN 374.A OE1 no hydrogen 2.566 N/A TYR 322.A N GLN 319.A O no hydrogen 3.089 N/A TYR 322.A OH HIS 307.A NE2 no hydrogen 3.156 N/A THR 323.A N GLY 320.A O no hydrogen 3.263 N/A ASP 324.A N TYR 321.A O no hydrogen 3.188 N/A PHE 325.A N TYR 322.A O no hydrogen 2.811 N/A ASN 327.A N ASP 330.A OD2 no hydrogen 3.206 N/A ASP 330.A N ASN 327.A O no hydrogen 3.046 N/A VAL 332.A N LEU 328.A O no hydrogen 3.258 N/A LYS 333.A N ASP 329.A O no hydrogen 2.891 N/A LYS 333.A NZ ASP 337.A OD2 no hydrogen 2.564 N/A LYS 333.A NZ ASP 342.A OD2 no hydrogen 2.821 N/A SER 334.A N ASP 330.A O no hydrogen 2.964 N/A SER 334.A OG VAL 338.A O no hydrogen 2.851 N/A TYR 335.A N ILE 331.A O no hydrogen 2.897 N/A TYR 335.A OH LEU 399.A O no hydrogen 2.583 N/A LYS 336.A N VAL 332.A O no hydrogen 2.926 N/A LYS 336.A N LYS 333.A O no hydrogen 3.117 N/A ASP 337.A N LYS 333.A O no hydrogen 2.733 N/A VAL 338.A N SER 334.A O no hydrogen 3.074 N/A PHE 339.A N ASP 337.A O no hydrogen 2.840 N/A VAL 340.A N ASP 305.A OD2 no hydrogen 2.759 N/A TYR 341.A N ASP 305.A OD2 no hydrogen 3.110 N/A TYR 341.A OH ASP 324.A O no hydrogen 2.606 N/A GLY 343.A N HIS 353.A O no hydrogen 2.710 N/A LYS 344.A N HIS 353.A O no hydrogen 3.058 N/A SER 346.A N LYS 351.A O no hydrogen 2.865 N/A SER 346.A OG ASP 324.A OD1 no hydrogen 3.458 N/A SER 346.A OG ASP 324.A OD2 no hydrogen 2.517 N/A PHE 348.A N ASP 324.A OD1 no hydrogen 2.986 N/A ARG 349.A N SER 346.A OG no hydrogen 2.938 N/A ARG 349.A NH1 ASP 281.A OD2 no hydrogen 2.779 N/A ARG 349.A NH2 ASP 281.A OD1 no hydrogen 2.704 N/A ARG 349.A NH2 ASP 281.A OD2 no hydrogen 3.323 N/A ARG 350.A NE PHE 348.A O no hydrogen 3.623 N/A LYS 351.A N SER 346.A O no hydrogen 3.371 N/A LYS 351.A NZ THR 352.A O no hydrogen 2.890 N/A HIS 353.A N LYS 344.A O no hydrogen 2.993 N/A HIS 353.A NE2 ASP 281.A O no hydrogen 3.121 N/A GLY 362.A N CYS 487.A O no hydrogen 2.724 N/A CYS 363.A N ASP 361.A OD1 no hydrogen 3.076 N/A ASN 364.A N ASP 361.A O no hydrogen 3.231 N/A ASN 364.A ND2 ASP 299.A O no hydrogen 3.212 N/A PHE 365.A N GLY 362.A O no hydrogen 3.136 N/A VAL 366.A N GLN 301.A O no hydrogen 2.718 N/A VAL 367.A N ILE 406.A O no hydrogen 2.765 N/A TYR 368.A OH ASP 304.A OD1 no hydrogen 2.579 N/A GLN 370.A NE2 ILE 369.A O no hydrogen 2.781 N/A HIS 372.A N GLU 102.A OE1 no hydrogen 2.984 N/A HIS 372.A ND1 GLU 102.A OE2 no hydrogen 2.638 N/A ASP 373.A N ASN 371.A OD1 no hydrogen 2.915 N/A GLN 374.A N ASN 371.A OD1 no hydrogen 2.988 N/A VAL 375.A N ASN 371.A O no hydrogen 3.057 N/A GLY 376.A N HIS 372.A O no hydrogen 2.765 N/A ASN 377.A N ASP 373.A O no hydrogen 2.773 N/A ARG 378.A N VAL 375.A O no hydrogen 3.201 N/A ARG 378.A NH1 GLU 317.A OE1 no hydrogen 2.806 N/A ARG 378.A NH1 GLU 317.A OE2 no hydrogen 3.483 N/A ARG 378.A NH2 GLU 317.A OE2 no hydrogen 2.796 N/A GLY 381.A N ARG 378.A O no hydrogen 2.799 N/A ARG 383.A NE ASN 419.A O no hydrogen 2.897 N/A ARG 383.A NH1 MET 411.A O no hydrogen 2.830 N/A ARG 383.A NH2 MET 411.A O no hydrogen 3.015 N/A ILE 384.A N GLN 370.A OE1 no hydrogen 2.729 N/A LYS 386.A N ARG 383.A O no hydrogen 2.993 N/A LEU 387.A N ILE 384.A O no hydrogen 2.857 N/A ARG 390.A NH1 ASP 466.A OD2 no hydrogen 2.954 N/A ARG 390.A NH2 ASP 466.A OD1 no hydrogen 3.538 N/A ARG 390.A NH2 ASP 466.A OD2 no hydrogen 3.351 N/A SER 392.A N ASP 389.A OD2 no hydrogen 2.844 N/A SER 392.A OG ASP 389.A OD2 no hydrogen 3.380 N/A TYR 393.A N ASP 389.A O no hydrogen 3.055 N/A TYR 393.A OH GLU 413.A O no hydrogen 2.570 N/A LYS 394.A N ARG 390.A O no hydrogen 3.095 N/A LYS 394.A NZ GLU 468.A OE2 no hydrogen 2.431 N/A LYS 394.A NZ SER 530.A O no hydrogen 2.969 N/A ILE 395.A N GLU 391.A O no hydrogen 2.804 N/A ALA 396.A N SER 392.A O no hydrogen 2.850 N/A ALA 397.A N TYR 393.A O no hydrogen 3.013 N/A ALA 398.A N LYS 394.A O no hydrogen 2.974 N/A LEU 399.A N ILE 395.A O no hydrogen 2.973 N/A TYR 400.A N ALA 396.A O no hydrogen 3.461 N/A TYR 400.A OH GLU 413.A OE2 no hydrogen 2.570 N/A LEU 401.A N ALA 397.A O no hydrogen 3.029 N/A LEU 402.A N ALA 398.A O no hydrogen 2.915 N/A SER 403.A N TYR 400.A O no hydrogen 3.121 N/A SER 403.A OG TYR 400.A O no hydrogen 2.812 N/A TYR 405.A N SER 403.A OG no hydrogen 3.228 N/A TYR 405.A OH SER 334.A O no hydrogen 2.744 N/A ILE 406.A N PHE 365.A O no hydrogen 2.909 N/A MET 408.A N VAL 367.A O no hydrogen 2.822 N/A ILE 409.A N ILE 100.A O no hydrogen 2.758 N/A PHE 410.A N GLU 413.A OE1 no hydrogen 2.972 N/A MET 411.A N GLU 102.A O no hydrogen 3.012 N/A GLY 412.A N TYR 101.A OH no hydrogen 3.359 N/A GLY 412.A N GLU 414.A OE2 no hydrogen 2.954 N/A GLU 413.A N PHE 410.A O no hydrogen 2.891 N/A GLU 414.A N GLU 414.A OE2 no hydrogen 2.718 N/A TYR 415.A N GLY 412.A O no hydrogen 3.267 N/A TYR 415.A OH GLU 417.A OE1 no hydrogen 2.530 N/A GLY 416.A N GLU 413.A O no hydrogen 3.240 N/A GLU 417.A N GLY 412.A O no hydrogen 2.930 N/A ASN 419.A N GLU 417.A OE2 no hydrogen 2.858 N/A ASN 419.A ND2 LYS 460.A O no hydrogen 2.938 N/A PHE 421.A N GLY 381.A O no hydrogen 2.894 N/A TYR 422.A N SER 459.A OG no hydrogen 3.093 N/A SER 425.A N PRO 450.A O no hydrogen 3.013 N/A SER 425.A OG GLN 451.A OE1 no hydrogen 2.687 N/A PHE 427.A N GLN 451.A OE1 no hydrogen 2.882 N/A SER 428.A N GLU 192.A OE1 no hydrogen 2.873 N/A SER 428.A OG GLU 192.A OE2 no hydrogen 2.779 N/A ASP 429.A N GLU 192.A OE1 no hydrogen 3.240 N/A LEU 432.A N ASP 429.A OD2 no hydrogen 3.182 N/A ILE 433.A N ASP 429.A O no hydrogen 2.975 N/A GLN 434.A N SER 430.A O no hydrogen 3.098 N/A GLY 435.A N LYS 431.A O no hydrogen 2.921 N/A VAL 436.A N LEU 432.A O no hydrogen 3.031 N/A ARG 437.A N ILE 433.A O no hydrogen 3.290 N/A ARG 437.A NE ASP 449.A OD1 no hydrogen 2.836 N/A ARG 437.A NE ASP 449.A OD2 no hydrogen 3.311 N/A ARG 437.A NH2 ASP 449.A OD2 no hydrogen 2.971 N/A GLU 438.A N GLN 434.A O no hydrogen 2.982 N/A GLY 439.A N GLY 435.A O no hydrogen 2.821 N/A ARG 440.A N VAL 436.A O no hydrogen 2.922 N/A ARG 440.A NH1 ASN 377.A OD1 no hydrogen 3.164 N/A ARG 440.A NH2 GLY 376.A O no hydrogen 2.902 N/A LYS 441.A N ARG 437.A O no hydrogen 3.158 N/A LYS 441.A NZ ASP 447.A OD1 no hydrogen 3.064 N/A LYS 442.A N GLU 438.A O no hydrogen 2.925 N/A GLU 443.A N GLY 439.A O no hydrogen 2.790 N/A ASN 444.A N ARG 440.A O no hydrogen 3.079 N/A ASN 444.A ND2 ASN 377.A O no hydrogen 2.981 N/A GLY 445.A N LYS 441.A O no hydrogen 3.130 N/A GLN 446.A N ARG 440.A O no hydrogen 3.038 N/A THR 448.A OG1 GLN 446.A OE1 no hydrogen 3.275 N/A GLN 451.A N ASP 449.A OD1 no hydrogen 2.907 N/A GLN 451.A NE2 PHE 427.A O no hydrogen 2.969 N/A ASP 452.A N ASP 449.A O no hydrogen 3.067 N/A SER 454.A N ASP 452.A OD2 no hydrogen 3.080 N/A SER 454.A OG ASP 452.A OD2 no hydrogen 2.663 N/A THR 455.A N ASP 452.A O no hydrogen 2.975 N/A THR 455.A OG1 ASP 449.A O no hydrogen 2.581 N/A ASN 457.A N GLU 453.A O no hydrogen 2.957 N/A ALA 458.A N SER 454.A O no hydrogen 2.904 N/A SER 459.A N PHE 456.A O no hydrogen 2.955 N/A SER 459.A OG THR 455.A O no hydrogen 2.830 N/A LYS 460.A N ASN 457.A O no hydrogen 3.203 N/A LYS 460.A NZ ASN 457.A OD1 no hydrogen 3.190 N/A LEU 461.A N THR 107.A O no hydrogen 3.044 N/A SER 462.A N GLU 417.A OE1 no hydrogen 2.811 N/A SER 462.A OG GLU 417.A OE1 no hydrogen 2.894 N/A SER 462.A OG GLU 417.A OE2 no hydrogen 3.103 N/A TRP 463.A N TYR 415.A OH no hydrogen 3.139 N/A TRP 463.A NE1 PHE 108.A O no hydrogen 2.835 N/A LYS 464.A N SER 462.A OG no hydrogen 3.244 N/A ASP 466.A N TYR 415.A O no hydrogen 2.958 N/A ILE 469.A N ASP 466.A OD1 no hydrogen 2.879 N/A PHE 470.A N ASP 466.A O no hydrogen 2.887 N/A SER 471.A N GLU 467.A O no hydrogen 2.885 N/A PHE 472.A N GLU 468.A O no hydrogen 3.251 N/A TYR 473.A N ILE 469.A O no hydrogen 3.040 N/A TYR 473.A OH GLU 413.A OE2 no hydrogen 2.571 N/A LYS 474.A N PHE 470.A O no hydrogen 3.031 N/A LYS 474.A NZ ASP 126.A OD1 no hydrogen 3.493 N/A LYS 474.A NZ ASP 126.A OD2 no hydrogen 3.105 N/A ILE 475.A N SER 471.A O no hydrogen 2.987 N/A LEU 476.A N PHE 472.A O no hydrogen 2.915 N/A ILE 477.A N TYR 473.A O no hydrogen 3.026 N/A LYS 478.A N LYS 474.A O no hydrogen 3.115 N/A LYS 478.A NZ GLU 482.A OE2 no hydrogen 3.403 N/A MET 479.A N ILE 475.A O no hydrogen 2.794 N/A ARG 480.A N LEU 476.A O no hydrogen 2.879 N/A ARG 480.A NH1 LEU 401.A O no hydrogen 2.800 N/A ARG 480.A NH1 SER 403.A O no hydrogen 2.824 N/A ARG 480.A NH2 TYR 405.A O no hydrogen 2.695 N/A LYS 481.A N ILE 477.A O no hydrogen 3.291 N/A LYS 481.A NZ GLY 128.A O no hydrogen 2.727 N/A GLU 482.A N LYS 478.A O no hydrogen 3.111 N/A LEU 483.A N MET 479.A O no hydrogen 2.943 N/A SER 484.A N LYS 481.A O no hydrogen 3.282 N/A ILE 485.A N ARG 480.A O no hydrogen 3.275 N/A CYS 487.A N PRO 404.A O no hydrogen 2.845 N/A ASP 488.A N ILE 485.A O no hydrogen 3.396 N/A ARG 489.A NE LEU 360.A O no hydrogen 2.917 N/A ARG 489.A NH2 GLY 358.A O no hydrogen 2.636 N/A ARG 489.A NH2 LEU 360.A O no hydrogen 2.994 N/A ARG 490.A N ASP 488.A OD2 no hydrogen 3.066 N/A ARG 490.A NE ASP 488.A OD2 no hydrogen 2.846 N/A ARG 490.A NH2 ASP 488.A OD1 no hydrogen 2.961 N/A VAL 491.A N ARG 489.A O no hydrogen 2.844 N/A ASN 492.A N LYS 503.A O no hydrogen 2.781 N/A VAL 494.A N ILE 501.A O no hydrogen 2.919 N/A GLY 496.A N TRP 499.A O no hydrogen 3.003 N/A LEU 500.A N TYR 511.A O no hydrogen 2.813 N/A ILE 501.A N VAL 494.A O no hydrogen 2.790 N/A ILE 502.A N SER 509.A O no hydrogen 3.019 N/A LYS 503.A N ASN 492.A O no hydrogen 2.825 N/A LYS 503.A NZ GLY 504.A O no hydrogen 3.277 N/A GLY 504.A N TYR 507.A O no hydrogen 2.896 N/A PHE 508.A N TYR 552.A O no hydrogen 2.979 N/A SER 509.A N ILE 502.A O no hydrogen 2.755 N/A LEU 510.A N ALA 550.A O no hydrogen 2.877 N/A TYR 511.A N LEU 500.A O no hydrogen 2.872 N/A VAL 512.A N GLY 548.A O no hydrogen 2.951 N/A PHE 513.A N ASN 498.A O no hydrogen 2.802 N/A SER 516.A N PHE 545.A O no hydrogen 2.910 N/A SER 516.A OG SER 514.A O no hydrogen 2.753 N/A ILE 518.A N TYR 543.A O no hydrogen 2.763 N/A VAL 520.A N GLY 541.A O no hydrogen 2.732 N/A GLY 524.A N ILE 538.A O no hydrogen 3.007 N/A LEU 526.A N GLN 536.A O no hydrogen 2.704 N/A LEU 527.A N LEU 551.A O no hydrogen 2.747 N/A SER 529.A OG ASN 531.A O no hydrogen 2.628 N/A SER 529.A OG PHE 549.A O no hydrogen 3.415 N/A SER 530.A N PHE 549.A O no hydrogen 2.994 N/A SER 530.A OG GLU 391.A OE2 no hydrogen 2.582 N/A ASN 531.A ND2 GLU 391.A OE1 no hydrogen 3.113 N/A ASN 531.A ND2 LYS 547.A O no hydrogen 3.118 N/A SER 533.A N ASN 531.A OD1 no hydrogen 2.842 N/A SER 533.A OG ASN 531.A OD1 no hydrogen 2.661 N/A ILE 538.A N GLY 524.A O no hydrogen 2.917 N/A GLY 541.A N VAL 520.A O no hydrogen 2.883 N/A TYR 543.A N ILE 518.A O no hydrogen 2.917 N/A TYR 543.A OH GLU 539.A O no hydrogen 2.456 N/A PHE 545.A N SER 516.A O no hydrogen 2.729 N/A LYS 547.A NZ ASP 389.A OD1 no hydrogen 3.288 N/A LYS 547.A NZ ASP 389.A OD2 no hydrogen 2.925 N/A LYS 547.A NZ SER 392.A OG no hydrogen 2.518 N/A GLY 548.A N VAL 512.A O no hydrogen 3.035 N/A PHE 549.A N SER 530.A OG no hydrogen 2.928 N/A ALA 550.A N LEU 510.A O no hydrogen 2.945 N/A LEU 551.A N LEU 528.A O no hydrogen 2.800 N/A TYR 552.A N PHE 508.A O no hydrogen 2.862 N/A TYR 552.A OH PRO 535.A O no hydrogen 2.795 N/A LYS 553.A N THR 525.A O no hydrogen 2.835 N/A