Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N GLU 150.A OE2 no hydrogen 3.294 N/A THR 7.A N ARG 48.A O no hydrogen 2.758 N/A ALA 9.A N PHE 50.A O no hydrogen 3.014 N/A MET 16.A N THR 13.A O no hydrogen 3.049 N/A LEU 17.A N GLU 14.A O no hydrogen 2.928 N/A LYS 20.A NZ GLU 163.A OE1 no hydrogen 3.197 N/A LYS 20.A NZ GLU 163.A OE2 no hydrogen 2.906 N/A ALA 21.A N LYS 72.A O no hydrogen 3.063 N/A ALA 22.A N VAL 43.A O no hydrogen 2.817 N/A LEU 23.A N SER 74.A O no hydrogen 2.857 N/A VAL 24.A N ALA 41.A O no hydrogen 2.836 N/A GLU 26.A N GLY 39.A O no hydrogen 3.006 N/A ASN 31.A ND2 GLU 325.A OE1 no hydrogen 3.298 N/A TYR 32.A OH GLU 194.A OE2 no hydrogen 2.618 N/A HIS 33.A N ASN 31.A OD1 no hydrogen 3.106 N/A HIS 33.A NE2 THR 309.A O no hydrogen 3.024 N/A ALA 35.A N TYR 32.A O no hydrogen 3.347 N/A VAL 38.A N GLU 26.A O no hydrogen 2.832 N/A ILE 40.A N LEU 51.A O no hydrogen 2.993 N/A ALA 41.A N VAL 24.A O no hydrogen 2.922 N/A VAL 42.A N PHE 49.A O no hydrogen 2.871 N/A VAL 43.A N ALA 22.A O no hydrogen 3.038 N/A ASN 44.A N GLY 47.A O no hydrogen 3.046 N/A ASN 44.A ND2 GLU 15.A O no hydrogen 2.937 N/A HIS 46.A N ASN 44.A OD1 no hydrogen 2.809 N/A GLY 47.A N ASN 44.A O no hydrogen 3.325 N/A GLY 47.A N ASN 44.A OD1 no hydrogen 3.134 N/A ARG 48.A NH1 ALA 5.A O no hydrogen 2.620 N/A PHE 49.A N VAL 42.A O no hydrogen 2.817 N/A PHE 50.A N THR 7.A O no hydrogen 2.970 N/A LEU 51.A N ILE 40.A O no hydrogen 2.892 N/A ARG 52.A NE GLU 145.A OE2 no hydrogen 3.196 N/A GLU 54.A N GLU 54.A OE2 no hydrogen 2.803 N/A THR 55.A N ARG 52.A O no hydrogen 3.160 N/A ALA 56.A N ARG 52.A O no hydrogen 3.021 N/A LEU 57.A N PRO 53.A O no hydrogen 2.730 N/A ALA 58.A N THR 55.A O no hydrogen 3.240 N/A ASP 59.A N ALA 56.A O no hydrogen 3.097 N/A PHE 62.A N ASP 59.A OD2 no hydrogen 3.002 N/A VAL 63.A N ASP 59.A O no hydrogen 3.030 N/A ALA 64.A N PRO 60.A O no hydrogen 2.950 N/A TRP 65.A N GLN 61.A O no hydrogen 2.804 N/A TRP 65.A NE1 ALA 18.A O no hydrogen 2.906 N/A LEU 66.A N PHE 62.A O no hydrogen 2.776 N/A GLY 67.A N VAL 63.A O no hydrogen 3.118 N/A ASP 68.A N TRP 65.A O no hydrogen 3.067 N/A THR 70.A N ASP 68.A OD1 no hydrogen 2.742 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.639 N/A THR 70.A OG1 ASP 68.A OD2 no hydrogen 3.212 N/A LYS 71.A N ASP 68.A O no hydrogen 3.050 N/A LYS 72.A N ASP 19.A O no hydrogen 3.023 N/A LYS 72.A NZ GLU 69.A O no hydrogen 2.876 N/A LYS 73.A N GLY 94.A O no hydrogen 2.883 N/A LYS 73.A NZ TRP 65.A O no hydrogen 2.864 N/A LYS 73.A NZ LEU 66.A O no hydrogen 2.932 N/A LYS 73.A NZ ASP 68.A O no hydrogen 3.250 N/A LYS 73.A NZ LYS 71.A O no hydrogen 2.875 N/A LYS 73.A NZ CYS 93.A O no hydrogen 2.668 N/A SER 74.A N ALA 21.A O no hydrogen 2.751 N/A SER 74.A OG GLU 163.A OE2 no hydrogen 2.556 N/A MET 75.A N PHE 97.A O no hydrogen 2.885 N/A ASP 77.A N ASP 98.A OD1 no hydrogen 2.790 N/A SER 78.A N ASP 98.A OD2 no hydrogen 2.742 N/A SER 78.A OG ASP 98.A OD2 no hydrogen 2.789 N/A LYS 79.A NZ TYR 32.A OH no hydrogen 2.734 N/A LYS 79.A NZ GLU 194.A OE1 no hydrogen 2.747 N/A LYS 79.A NZ GLU 194.A OE2 no hydrogen 3.542 N/A LYS 79.A NZ PHE 311.A O no hydrogen 2.722 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 3.360 N/A ARG 80.A NE ASP 77.A OD2 no hydrogen 3.372 N/A ARG 80.A NH1 VAL 27.A O no hydrogen 3.125 N/A ARG 80.A NH1 GLU 29.A O no hydrogen 2.790 N/A ARG 80.A NH2 GLU 30.A O no hydrogen 2.770 N/A ALA 82.A N SER 78.A O no hydrogen 2.736 N/A VAL 83.A N LYS 79.A O no hydrogen 2.813 N/A ALA 84.A N ARG 80.A O no hydrogen 3.159 N/A LEU 85.A N ALA 81.A O no hydrogen 3.056 N/A LYS 86.A N ALA 82.A O no hydrogen 2.895 N/A TRP 87.A N VAL 83.A O no hydrogen 3.181 N/A TRP 87.A NE1 HIS 33.A ND1 no hydrogen 3.022 N/A LYS 88.A N LEU 85.A O no hydrogen 2.739 N/A GLY 89.A N LYS 86.A O no hydrogen 2.933 N/A ILE 90.A N LEU 85.A O no hydrogen 2.952 N/A CYS 93.A N LEU 66.A O no hydrogen 2.779 N/A CYS 93.A SG GLY 67.A O no hydrogen 3.521 N/A SER 96.A N LYS 73.A O no hydrogen 3.060 N/A ASP 98.A N GLN 184.A OE1 no hydrogen 2.767 N/A LEU 99.A N MET 75.A O no hydrogen 2.698 N/A LEU 100.A N ASP 98.A OD1 no hydrogen 3.096 N/A ALA 102.A N ASP 98.A O no hydrogen 2.880 N/A ALA 103.A N LEU 99.A O no hydrogen 2.900 N/A TYR 104.A N LEU 100.A O no hydrogen 2.940 N/A TYR 104.A OH THR 316.A O no hydrogen 2.658 N/A LEU 105.A N LEU 101.A O no hydrogen 3.165 N/A LEU 106.A N ALA 102.A O no hydrogen 3.157 N/A ASP 107.A N ALA 103.A O no hydrogen 2.880 N/A ALA 109.A N ASP 107.A OD1 no hydrogen 3.072 N/A GLN 110.A N ASP 107.A O no hydrogen 3.177 N/A GLN 110.A NE2 ASP 107.A OD2 no hydrogen 3.306 N/A ALA 117.A N ASP 114.A OD2 no hydrogen 2.772 N/A ALA 118.A N ASP 114.A O no hydrogen 3.316 N/A ALA 119.A N VAL 115.A O no hydrogen 2.813 N/A LYS 120.A N ALA 116.A O no hydrogen 2.969 N/A MET 121.A N ALA 118.A O no hydrogen 3.024 N/A LYS 122.A N ALA 119.A O no hydrogen 3.000 N/A LYS 122.A NZ GLU 169.A OE2 no hydrogen 2.743 N/A GLN 123.A N LYS 120.A O no hydrogen 3.045 N/A TYR 124.A N ALA 119.A O no hydrogen 3.168 N/A ASP 130.A N ASP 114.A OD1 no hydrogen 2.989 N/A VAL 133.A N ASP 130.A O no hydrogen 3.091 N/A TYR 134.A N ASP 130.A O no hydrogen 2.715 N/A TYR 134.A OH GLU 26.A OE2 no hydrogen 2.604 N/A GLY 135.A N GLU 131.A O no hydrogen 2.834 N/A ARG 140.A NE VAL 28.A O no hydrogen 3.239 N/A ARG 140.A NH2 VAL 28.A O no hydrogen 2.732 N/A ALA 141.A N TYR 134.A O no hydrogen 2.814 N/A LEU 148.A N ASP 144.A O no hydrogen 2.967 N/A ALA 149.A N GLU 145.A O no hydrogen 2.915 N/A GLU 150.A N PRO 146.A O no hydrogen 3.202 N/A HIS 151.A N VAL 147.A O no hydrogen 3.153 N/A HIS 151.A NE2 ASP 130.A OD1 no hydrogen 2.819 N/A LEU 152.A N LEU 148.A O no hydrogen 2.925 N/A VAL 153.A N ALA 149.A O no hydrogen 3.019 N/A ARG 154.A N GLU 150.A O no hydrogen 2.882 N/A ARG 154.A NE GLU 150.A OE2 no hydrogen 2.720 N/A ARG 154.A NH1 ALA 126.A O no hydrogen 2.928 N/A ARG 154.A NH2 SER 2.A O no hydrogen 3.418 N/A ARG 154.A NH2 GLU 150.A OE2 no hydrogen 3.359 N/A LYS 155.A N HIS 151.A O no hydrogen 3.010 N/A LYS 155.A NZ GLU 26.A OE1 no hydrogen 3.348 N/A LYS 155.A NZ GLU 26.A OE2 no hydrogen 2.903 N/A LYS 155.A NZ ASP 130.A OD1 no hydrogen 2.832 N/A LYS 155.A NZ ASP 130.A OD2 no hydrogen 3.369 N/A ALA 156.A N LEU 152.A O no hydrogen 3.034 N/A ALA 157.A N VAL 153.A O no hydrogen 2.774 N/A ALA 158.A N ARG 154.A O no hydrogen 2.874 N/A ILE 159.A N LYS 155.A O no hydrogen 2.870 N/A TRP 160.A N ALA 156.A O no hydrogen 2.876 N/A GLU 161.A N ALA 157.A O no hydrogen 2.989 N/A LEU 162.A N ALA 158.A O no hydrogen 2.734 N/A GLU 163.A N ILE 159.A O no hydrogen 3.328 N/A PHE 166.A N LEU 162.A O no hydrogen 3.050 N/A LEU 167.A N GLU 163.A O no hydrogen 2.817 N/A ASP 168.A N ARG 164.A O no hydrogen 2.918 N/A GLU 169.A N PRO 165.A O no hydrogen 3.117 N/A LEU 170.A N PHE 166.A O no hydrogen 2.839 N/A ARG 171.A N LEU 167.A O no hydrogen 2.773 N/A ARG 172.A N ASP 168.A O no hydrogen 3.003 N/A ASN 173.A N GLU 169.A O no hydrogen 2.890 N/A ASN 173.A ND2 GLN 175.A OE1 no hydrogen 2.796 N/A GLU 174.A N ARG 171.A O no hydrogen 3.017 N/A GLN 175.A N LEU 170.A O no hydrogen 2.866 N/A GLN 175.A NE2 LEU 105.A O no hydrogen 3.160 N/A GLN 175.A NE2 HIS 473.A O no hydrogen 3.136 N/A ASP 176.A N ASP 176.A OD1 no hydrogen 2.578 N/A ARG 177.A NE GLU 181.A OE1 no hydrogen 3.118 N/A LEU 179.A N GLN 175.A O no hydrogen 2.978 N/A VAL 180.A N ASP 176.A O no hydrogen 2.917 N/A GLU 181.A N ARG 177.A O no hydrogen 2.775 N/A LEU 182.A N LEU 178.A O no hydrogen 3.182 N/A GLU 183.A N LEU 178.A O no hydrogen 2.907 N/A GLN 184.A N LEU 179.A O no hydrogen 2.921 N/A GLN 184.A NE2 SER 96.A O no hydrogen 2.930 N/A LEU 186.A N LEU 182.A O no hydrogen 3.014 N/A SER 187.A N GLU 183.A O no hydrogen 2.936 N/A SER 188.A N GLN 184.A O no hydrogen 3.349 N/A ILE 189.A N PRO 185.A O no hydrogen 3.343 N/A LEU 190.A N LEU 186.A O no hydrogen 2.902 N/A ALA 191.A N SER 187.A O no hydrogen 2.960 N/A GLU 192.A N SER 188.A O no hydrogen 3.153 N/A MET 193.A N ILE 189.A O no hydrogen 2.926 N/A GLU 194.A N LEU 190.A O no hydrogen 2.811 N/A PHE 195.A N ALA 191.A O no hydrogen 2.971 N/A ALA 196.A N GLU 192.A O no hydrogen 2.822 N/A GLY 197.A N MET 193.A O no hydrogen 3.018 N/A VAL 198.A N VAL 307.A O no hydrogen 3.026 N/A LYS 199.A NZ SER 348.A O no hydrogen 2.985 N/A VAL 200.A N LYS 305.A O no hydrogen 2.913 N/A ASP 201.A N ALA 344.A O no hydrogen 2.768 N/A ARG 204.A N ASP 201.A OD1 no hydrogen 2.926 N/A ARG 204.A NH1 GLN 343.A OE1 no hydrogen 2.707 N/A LEU 205.A N ASP 201.A O no hydrogen 3.241 N/A GLU 206.A N THR 202.A O no hydrogen 2.778 N/A GLN 207.A N LYS 203.A O no hydrogen 2.913 N/A GLN 207.A NE2 GLU 211.A OE2 no hydrogen 2.868 N/A MET 208.A N ARG 204.A O no hydrogen 2.918 N/A GLY 209.A N LEU 205.A O no hydrogen 2.840 N/A LYS 210.A N GLU 206.A O no hydrogen 3.116 N/A LYS 210.A N GLN 207.A O no hydrogen 3.138 N/A GLU 211.A N GLN 207.A O no hydrogen 3.132 N/A LEU 212.A N MET 208.A O no hydrogen 2.883 N/A ALA 213.A N GLY 209.A O no hydrogen 3.001 N/A GLU 214.A N LYS 210.A O no hydrogen 3.113 N/A GLN 215.A N GLU 211.A O no hydrogen 2.973 N/A LEU 216.A N LEU 212.A O no hydrogen 2.908 N/A GLY 217.A N ALA 213.A O no hydrogen 3.190 N/A THR 218.A N GLU 214.A O no hydrogen 3.150 N/A THR 218.A OG1 GLU 214.A O no hydrogen 3.402 N/A VAL 219.A N GLN 215.A O no hydrogen 2.933 N/A GLU 220.A N LEU 216.A O no hydrogen 2.952 N/A GLN 221.A N GLY 217.A O no hydrogen 3.235 N/A ARG 222.A N THR 218.A O no hydrogen 3.081 N/A ARG 222.A NH1 GLU 225.A OE1 no hydrogen 3.483 N/A ARG 222.A NH2 GLU 274.A OE1 no hydrogen 2.542 N/A ILE 223.A N VAL 219.A O no hydrogen 2.862 N/A TYR 224.A N GLU 220.A O no hydrogen 3.052 N/A TYR 224.A OH GLU 220.A OE1 no hydrogen 2.924 N/A TYR 224.A OH PHE 231.A O no hydrogen 3.210 N/A GLU 225.A N GLN 221.A O no hydrogen 2.893 N/A LEU 226.A N ARG 222.A O no hydrogen 2.889 N/A ALA 227.A N ILE 223.A O no hydrogen 2.862 N/A GLY 228.A N GLU 225.A O no hydrogen 2.907 N/A GLN 229.A N TYR 224.A O no hydrogen 2.952 N/A GLN 229.A NE2 GLU 230.A O no hydrogen 3.698 N/A ASN 232.A N GLN 238.A OE1 no hydrogen 2.855 N/A ASN 234.A N ASN 232.A OD1 no hydrogen 3.052 N/A SER 235.A N ASN 232.A O no hydrogen 2.851 N/A GLN 238.A N SER 235.A OG no hydrogen 3.010 N/A LEU 239.A N SER 235.A O no hydrogen 2.965 N/A GLY 240.A N PRO 236.A O no hydrogen 3.099 N/A VAL 241.A N LYS 237.A O no hydrogen 2.914 N/A ILE 242.A N GLN 238.A O no hydrogen 2.988 N/A LEU 243.A N LEU 239.A O no hydrogen 2.867 N/A PHE 244.A N GLY 240.A O no hydrogen 3.025 N/A GLU 245.A N VAL 241.A O no hydrogen 3.187 N/A LYS 246.A N VAL 241.A O no hydrogen 2.894 N/A LYS 246.A NZ ALA 227.A O no hydrogen 3.073 N/A LYS 246.A NZ GLN 229.A OE1 no hydrogen 3.118 N/A LEU 247.A N ILE 242.A O no hydrogen 3.110 N/A LEU 249.A N LEU 243.A O no hydrogen 2.993 N/A LYS 253.A NZ ASP 264.A OD2 no hydrogen 3.476 N/A THR 255.A N GLY 258.A O no hydrogen 2.803 N/A THR 255.A OG1 GLY 258.A O no hydrogen 3.016 N/A GLY 258.A N THR 255.A OG1 no hydrogen 3.067 N/A TYR 259.A OH GLU 245.A OE1 no hydrogen 2.690 N/A SER 260.A N LYS 253.A O no hydrogen 3.029 N/A SER 262.A N SER 260.A OG no hydrogen 3.188 N/A LEU 266.A N SER 262.A O no hydrogen 2.901 N/A GLU 267.A N ALA 263.A O no hydrogen 2.910 N/A LEU 269.A N VAL 265.A O no hydrogen 3.311 N/A LEU 269.A N LEU 266.A O no hydrogen 2.939 N/A ALA 270.A N GLU 267.A O no hydrogen 3.336 N/A TYR 272.A N LEU 269.A O no hydrogen 2.962 N/A HIS 273.A N ALA 270.A O no hydrogen 3.371 N/A ILE 275.A N HIS 273.A ND1 no hydrogen 3.187 N/A VAL 276.A N HIS 273.A O no hydrogen 3.306 N/A ASN 278.A ND2 GLU 274.A O no hydrogen 3.178 N/A ILE 279.A N ILE 275.A O no hydrogen 3.032 N/A LEU 280.A N VAL 276.A O no hydrogen 3.000 N/A HIS 281.A N GLU 277.A O no hydrogen 2.822 N/A TYR 282.A N ASN 278.A O no hydrogen 2.709 N/A ARG 283.A N ILE 279.A O no hydrogen 2.911 N/A ARG 283.A NH1 THR 261.A O no hydrogen 2.986 N/A ARG 283.A NH2 THR 261.A OG1 no hydrogen 2.803 N/A GLN 284.A N LEU 280.A O no hydrogen 3.034 N/A LEU 285.A N HIS 281.A O no hydrogen 2.951 N/A GLY 286.A N TYR 282.A O no hydrogen 2.763 N/A LYS 287.A N ARG 283.A O no hydrogen 2.994 N/A LEU 288.A N GLN 284.A O no hydrogen 3.349 N/A GLN 289.A N LEU 285.A O no hydrogen 2.885 N/A GLN 289.A NE2 GLY 209.A O no hydrogen 2.933 N/A SER 290.A N GLY 286.A O no hydrogen 2.928 N/A SER 290.A OG GLY 286.A O no hydrogen 3.040 N/A THR 291.A N LYS 287.A O no hydrogen 2.996 N/A TYR 292.A N LEU 288.A O no hydrogen 3.071 N/A TYR 292.A OH ASN 330.A O no hydrogen 2.624 N/A ILE 293.A N LEU 288.A O no hydrogen 2.876 N/A GLU 294.A N GLN 289.A O no hydrogen 2.890 N/A LEU 296.A N TYR 292.A O no hydrogen 2.812 N/A LEU 297.A N ILE 293.A O no hydrogen 2.965 N/A LYS 298.A N GLU 294.A O no hydrogen 3.070 N/A LYS 298.A N GLY 295.A O no hydrogen 3.145 N/A VAL 299.A N GLY 295.A O no hydrogen 3.376 N/A VAL 299.A N LEU 296.A O no hydrogen 3.105 N/A VAL 300.A N LEU 296.A O no hydrogen 3.103 N/A ARG 301.A N LYS 306.A O no hydrogen 2.816 N/A ARG 301.A NH2 HIS 33.A O no hydrogen 3.445 N/A ASP 303.A N ASP 303.A OD1 no hydrogen 2.429 N/A THR 304.A N ARG 301.A O no hydrogen 3.294 N/A LYS 306.A N THR 304.A OG1 no hydrogen 3.214 N/A LYS 306.A NZ ALA 196.A O no hydrogen 2.738 N/A VAL 307.A N VAL 198.A O no hydrogen 3.009 N/A HIS 308.A ND1 GLU 194.A O no hydrogen 2.934 N/A THR 309.A OG1 ILE 310.A O no hydrogen 3.469 N/A THR 309.A OG1 SER 323.A OG no hydrogen 2.642 N/A THR 309.A OG1 THR 324.A O no hydrogen 3.115 N/A THR 309.A OG1 PRO 326.A O no hydrogen 2.642 N/A ILE 310.A N THR 324.A O no hydrogen 2.928 N/A PHE 311.A N GLU 194.A OE1 no hydrogen 2.778 N/A ASN 312.A N SER 322.A O no hydrogen 2.841 N/A ASN 312.A ND2 SER 322.A OG no hydrogen 2.971 N/A GLN 313.A NE2 GLU 183.A O no hydrogen 2.811 N/A GLN 313.A NE2 GLU 183.A OE1 no hydrogen 2.902 N/A THR 316.A OG1 ARG 320.A O no hydrogen 2.697 N/A GLN 317.A NE2 PRO 108.A O no hydrogen 3.066 N/A GLN 317.A NE2 LEU 315.A O no hydrogen 3.288 N/A THR 318.A OG1 GLN 502.A OE1 no hydrogen 2.588 N/A GLY 319.A N THR 316.A OG1 no hydrogen 3.059 N/A SER 322.A N ASN 312.A O no hydrogen 3.143 N/A SER 323.A OG THR 309.A OG1 no hydrogen 2.642 N/A SER 323.A OG PRO 326.A O no hydrogen 3.409 N/A THR 324.A N ILE 310.A O no hydrogen 2.872 N/A LEU 328.A N SER 323.A OG no hydrogen 3.041 N/A GLN 329.A N ASN 327.A OD1 no hydrogen 2.807 N/A GLN 329.A NE2 GLN 532.A O no hydrogen 2.810 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.682 N/A GLY 338.A N LEU 335.A O no hydrogen 3.120 N/A ARG 339.A N LEU 335.A O no hydrogen 3.048 N/A LYS 340.A N GLU 336.A O no hydrogen 3.216 N/A LYS 340.A NZ GLU 336.A OE2 no hydrogen 2.633 N/A ILE 341.A N GLY 338.A O no hydrogen 3.016 N/A ARG 342.A N ARG 339.A O no hydrogen 2.837 N/A ARG 342.A NE PRO 332.A O no hydrogen 2.925 N/A ARG 342.A NH2 ILE 331.A O no hydrogen 2.875 N/A GLN 343.A N LYS 340.A O no hydrogen 2.942 N/A ALA 344.A N ILE 341.A O no hydrogen 3.053 N/A PHE 345.A N ARG 342.A O no hydrogen 3.230 N/A VAL 346.A N LYS 199.A O no hydrogen 2.881 N/A SER 348.A N GLU 540.A OE1 no hydrogen 2.700 N/A SER 348.A OG GLU 540.A OE1 no hydrogen 3.260 N/A SER 348.A OG GLU 540.A OE2 no hydrogen 2.390 N/A TRP 352.A N GLU 349.A O no hydrogen 3.284 N/A LEU 353.A N ALA 541.A O no hydrogen 2.751 N/A ILE 354.A N GLY 574.A O no hydrogen 3.047 N/A PHE 355.A N LEU 539.A O no hydrogen 2.902 N/A ALA 356.A N HIS 572.A O no hydrogen 2.872 N/A ALA 357.A N LEU 537.A O no hydrogen 2.968 N/A ASP 358.A N ASP 570.A O no hydrogen 2.951 N/A TYR 359.A N ASP 535.A O no hydrogen 2.777 N/A TYR 359.A OH MET 557.A O no hydrogen 2.781 N/A SER 360.A N LYS 568.A O no hydrogen 2.793 N/A ARG 365.A N GLN 361.A O no hydrogen 3.022 N/A ARG 365.A NE SER 360.A O no hydrogen 2.776 N/A ARG 365.A NH1 PRO 566.A O no hydrogen 2.823 N/A ARG 365.A NH2 ASP 383.A OD1 no hydrogen 3.350 N/A VAL 366.A N ILE 362.A O no hydrogen 2.667 N/A LEU 367.A N GLU 363.A O no hydrogen 2.808 N/A ALA 368.A N LEU 364.A O no hydrogen 3.044 N/A HIS 369.A N ARG 365.A O no hydrogen 3.000 N/A ILE 370.A N VAL 366.A O no hydrogen 2.694 N/A ALA 371.A N LEU 367.A O no hydrogen 2.909 N/A ASN 375.A ND2.A SER 447.A O no hydrogen 3.192 N/A ASN 375.A ND2.B ASP 393.A OD2 no hydrogen 2.990 N/A ASN 375.A ND2.B SER 447.A O no hydrogen 2.943 N/A LEU 376.A N ASP 373.A OD1 no hydrogen 2.813 N/A MET 377.A N ASP 373.A O no hydrogen 2.969 N/A GLU 378.A N ASP 374.A O no hydrogen 3.104 N/A ALA 379.A N ASN 375.A O no hydrogen 3.051 N/A PHE 380.A N LEU 376.A O no hydrogen 3.268 N/A ARG 381.A N MET 377.A O no hydrogen 2.997 N/A ARG 381.A NH2 ARG 564.A O no hydrogen 2.769 N/A ARG 382.A N GLU 378.A O no hydrogen 2.801 N/A ARG 382.A NH1 GLU 378.A OE1 no hydrogen 2.932 N/A ASP 383.A N PHE 380.A O no hydrogen 2.951 N/A LEU 384.A N ALA 379.A O no hydrogen 2.934 N/A THR 388.A N ASP 385.A OD1 no hydrogen 3.085 N/A LYS 389.A N ASP 385.A O no hydrogen 2.906 N/A LYS 389.A NZ ASN 375.A OD1.B no hydrogen 3.134 N/A LYS 389.A NZ ASP 393.A OD1 no hydrogen 2.943 N/A LYS 389.A NZ ASP 393.A OD2 no hydrogen 2.960 N/A THR 390.A N ILE 386.A O no hydrogen 3.069 N/A THR 390.A OG1 ILE 386.A O no hydrogen 3.221 N/A THR 390.A OG1 ASN 414.A OD1 no hydrogen 3.080 N/A ALA 391.A N HIS 387.A O no hydrogen 2.980 N/A MET 392.A N THR 388.A O no hydrogen 2.989 N/A ASP 393.A N LYS 389.A O no hydrogen 2.994 N/A ILE 394.A N THR 390.A O no hydrogen 2.789 N/A PHE 395.A N ALA 391.A O no hydrogen 2.832 N/A GLN 396.A N ASP 393.A O no hydrogen 3.294 N/A VAL 397.A N MET 392.A O no hydrogen 3.127 N/A SER 398.A N GLU 401.A OE1 no hydrogen 3.084 N/A SER 398.A OG ASP 400.A OD1 no hydrogen 3.400 N/A SER 398.A OG GLU 401.A OE1 no hydrogen 3.045 N/A GLU 401.A N SER 398.A O no hydrogen 2.934 N/A VAL 402.A N GLU 399.A O no hydrogen 3.006 N/A MET 406.A N THR 403.A OG1 no hydrogen 3.198 N/A ARG 407.A N THR 403.A O no hydrogen 3.016 N/A ARG 407.A NE THR 388.A OG1 no hydrogen 3.295 N/A ARG 407.A NH2 ASP 385.A OD1 no hydrogen 3.153 N/A ARG 407.A NH2 ASP 385.A OD2 no hydrogen 2.910 N/A ARG 408.A N PRO 404.A O no hydrogen 3.083 N/A ARG 408.A NE.B ASN 405.A OD1 no hydrogen 3.026 N/A ARG 408.A NH2.A ASN 405.A OD1 no hydrogen 3.178 N/A ARG 408.A NH2.B ASN 405.A OD1 no hydrogen 3.218 N/A GLN 409.A N ASN 405.A O no hydrogen 3.084 N/A GLN 409.A NE2 ASN 405.A O no hydrogen 3.479 N/A ALA 410.A N MET 406.A O no hydrogen 3.086 N/A LYS 411.A N ARG 407.A O no hydrogen 2.900 N/A ALA 412.A N ARG 408.A O no hydrogen 3.137 N/A VAL 413.A N GLN 409.A O no hydrogen 3.069 N/A ASN 414.A N ALA 410.A O no hydrogen 2.920 N/A ASN 414.A ND2 ILE 386.A O no hydrogen 3.561 N/A ASN 414.A ND2 HIS 387.A ND1 no hydrogen 2.965 N/A ASN 414.A ND2 THR 390.A OG1 no hydrogen 3.359 N/A PHE 415.A N LYS 411.A O no hydrogen 2.895 N/A GLY 416.A N ALA 412.A O no hydrogen 3.013 N/A ILE 417.A N VAL 413.A O no hydrogen 2.818 N/A VAL 418.A N ASN 414.A O no hydrogen 3.192 N/A TYR 419.A N PHE 415.A O no hydrogen 2.933 N/A GLY 420.A N ILE 417.A O no hydrogen 3.440 N/A GLY 425.A N SER 422.A OG no hydrogen 3.029 N/A LEU 426.A N SER 422.A O no hydrogen 2.823 N/A ALA 427.A N ASP 423.A O no hydrogen 2.985 N/A GLN 428.A N TYR 424.A O no hydrogen 2.827 N/A ASN 429.A N GLY 425.A O no hydrogen 2.911 N/A LEU 430.A N LEU 426.A O no hydrogen 2.741 N/A ASN 431.A N GLN 428.A O no hydrogen 3.280 N/A ILE 432.A N ALA 427.A O no hydrogen 3.015 N/A SER 433.A N GLU 436.A OE1 no hydrogen 3.172 N/A ALA 437.A N SER 433.A O no hydrogen 2.982 N/A ALA 438.A N ARG 434.A O no hydrogen 2.664 N/A GLU 439.A N LYS 435.A O no hydrogen 3.165 N/A PHE 440.A N GLU 436.A O no hydrogen 3.205 N/A ILE 441.A N ALA 437.A O no hydrogen 2.927 N/A GLU 442.A N ALA 438.A O no hydrogen 2.806 N/A ARG 443.A N GLU 439.A O no hydrogen 2.837 N/A ARG 443.A NE ILE 394.A O no hydrogen 3.278 N/A ARG 443.A NH2 ASP 393.A O no hydrogen 2.803 N/A TYR 444.A N PHE 440.A O no hydrogen 2.738 N/A PHE 445.A N ILE 441.A O no hydrogen 3.046 N/A GLU 446.A N GLU 442.A O no hydrogen 3.213 N/A SER 447.A N ARG 443.A O no hydrogen 3.154 N/A SER 447.A OG ARG 443.A O no hydrogen 3.318 N/A GLY 450.A N ASP 373.A OD2 no hydrogen 2.761 N/A VAL 451.A N ASP 373.A OD2 no hydrogen 3.301 N/A VAL 451.A N PHE 448.A O no hydrogen 3.045 N/A LYS 452.A N PHE 448.A O no hydrogen 3.272 N/A ARG 453.A N PRO 449.A O no hydrogen 2.906 N/A TYR 454.A N GLY 450.A O no hydrogen 2.887 N/A TYR 454.A OH MET 497.A O no hydrogen 2.604 N/A MET 455.A N VAL 451.A O no hydrogen 2.914 N/A GLU 456.A N LYS 452.A O no hydrogen 3.084 N/A ASN 457.A N ARG 453.A O no hydrogen 2.811 N/A ILE 458.A N TYR 454.A O no hydrogen 2.911 N/A VAL 459.A N MET 455.A O no hydrogen 3.440 N/A GLN 460.A N GLU 456.A O no hydrogen 3.207 N/A GLU 461.A N ASN 457.A O no hydrogen 2.814 N/A ALA 462.A N ILE 458.A O no hydrogen 2.829 N/A LYS 463.A N VAL 459.A O no hydrogen 3.063 N/A GLN 464.A N GLN 460.A O no hydrogen 2.932 N/A LYS 465.A N GLU 461.A O no hydrogen 2.889 N/A GLY 466.A N ALA 462.A O no hydrogen 2.824 N/A VAL 468.A N ARG 476.A O no hydrogen 2.880 N/A THR 469.A OG1 ARG 474.A O no hydrogen 2.940 N/A THR 470.A N ARG 474.A O no hydrogen 2.958 N/A THR 470.A OG1 ASP 507.A OD1 no hydrogen 2.583 N/A LEU 471.A N SER 504.A OG no hydrogen 2.907 N/A LEU 472.A N ASP 507.A OD1 no hydrogen 2.855 N/A HIS 473.A N THR 470.A O no hydrogen 2.939 N/A ARG 474.A N THR 470.A OG1 no hydrogen 2.964 N/A ARG 474.A NE ASP 507.A OD2 no hydrogen 3.018 N/A ARG 474.A NH1 GLU 183.A OE2 no hydrogen 2.791 N/A ARG 474.A NH2 GLU 183.A OE2 no hydrogen 2.741 N/A ARG 474.A NH2 ASP 507.A OD2 no hydrogen 3.002 N/A ARG 475.A NH1 TYR 477.A OH no hydrogen 2.854 N/A ARG 476.A N VAL 468.A O no hydrogen 2.892 N/A ARG 476.A NH1 THR 499.A OG1 no hydrogen 2.782 N/A LEU 478.A N GLY 466.A O no hydrogen 2.922 N/A ILE 481.A N LEU 478.A O no hydrogen 3.157 N/A THR 482.A OG1 PRO 479.A O no hydrogen 3.441 N/A SER 483.A N ASP 480.A O no hydrogen 3.106 N/A SER 483.A OG ASN 485.A O no hydrogen 3.359 N/A ASN 485.A N SER 483.A OG no hydrogen 2.793 N/A VAL 488.A N ASN 485.A OD1 no hydrogen 2.952 N/A ARG 489.A N ASN 485.A O no hydrogen 2.829 N/A ARG 489.A NH1 SER 483.A O no hydrogen 2.849 N/A SER 490.A N PHE 486.A O no hydrogen 2.975 N/A SER 490.A OG PHE 486.A O no hydrogen 2.721 N/A PHE 491.A N ASN 487.A O no hydrogen 3.144 N/A ALA 492.A N VAL 488.A O no hydrogen 3.188 N/A GLU 493.A N ARG 489.A O no hydrogen 3.047 N/A ARG 494.A N SER 490.A O no hydrogen 3.022 N/A MET 495.A N PHE 491.A O no hydrogen 3.011 N/A ALA 496.A N ALA 492.A O no hydrogen 2.881 N/A MET 497.A N GLU 493.A O no hydrogen 3.102 N/A MET 497.A N ARG 494.A O no hydrogen 3.125 N/A ASN 498.A N ARG 494.A O no hydrogen 2.795 N/A ASN 498.A ND2 VAL 418.A O no hydrogen 2.974 N/A THR 499.A N MET 495.A O no hydrogen 3.009 N/A THR 499.A OG1 MET 495.A O no hydrogen 2.792 N/A ILE 501.A N ASN 498.A O no hydrogen 2.971 N/A GLN 502.A N ASN 498.A O no hydrogen 2.877 N/A GLY 503.A N THR 499.A O no hydrogen 2.850 N/A SER 504.A N PRO 500.A O no hydrogen 3.101 N/A SER 504.A OG PRO 500.A O no hydrogen 2.539 N/A ALA 505.A N ILE 501.A O no hydrogen 2.978 N/A ALA 506.A N GLN 502.A O no hydrogen 2.999 N/A ASP 507.A N GLY 503.A O no hydrogen 2.865 N/A ILE 508.A N SER 504.A O no hydrogen 2.965 N/A ILE 509.A N ALA 505.A O no hydrogen 3.188 N/A LYS 510.A N ALA 506.A O no hydrogen 2.959 N/A LYS 510.A NZ GLU 183.A OE1 no hydrogen 3.047 N/A LYS 510.A NZ GLU 183.A OE2 no hydrogen 2.965 N/A LYS 510.A NZ GLY 319.A O no hydrogen 2.772 N/A LYS 511.A N ASP 507.A O no hydrogen 3.012 N/A LYS 511.A NZ ASP 515.A OD2 no hydrogen 2.964 N/A LYS 511.A NZ ALA 560.A O no hydrogen 2.566 N/A ALA 512.A N ILE 508.A O no hydrogen 2.935 N/A MET 513.A N ILE 509.A O no hydrogen 2.856 N/A MET 513.A N LYS 510.A O no hydrogen 3.121 N/A ILE 514.A N LYS 510.A O no hydrogen 3.221 N/A ASP 515.A N LYS 511.A O no hydrogen 2.909 N/A LEU 516.A N ALA 512.A O no hydrogen 2.774 N/A ASN 517.A N MET 513.A O no hydrogen 2.971 N/A ALA 518.A N ILE 514.A O no hydrogen 3.087 N/A ARG 519.A N ASP 515.A O no hydrogen 2.875 N/A LEU 520.A N LEU 516.A O no hydrogen 2.884 N/A LYS 521.A N ASN 517.A O no hydrogen 3.359 N/A GLU 522.A N ALA 518.A O no hydrogen 3.005 N/A GLU 523.A N ARG 519.A O no hydrogen 2.801 N/A ARG 524.A N LYS 521.A O no hydrogen 2.969 N/A ARG 524.A NE LYS 521.A O no hydrogen 3.036 N/A ARG 524.A NH2 LYS 521.A O no hydrogen 3.256 N/A LEU 525.A N LEU 520.A O no hydrogen 2.947 N/A GLN 526.A N GLU 545.A OE1 no hydrogen 2.821 N/A ALA 527.A N GLU 545.A OE2 no hydrogen 3.019 N/A HIS 528.A N GLU 540.A O no hydrogen 3.130 N/A LEU 530.A N ILE 538.A O no hydrogen 2.804 N/A LEU 531.A N ILE 538.A O no hydrogen 3.082 N/A VAL 533.A N GLU 536.A O no hydrogen 2.926 N/A HIS 534.A N GLN 532.A OE1 no hydrogen 2.838 N/A ASP 535.A N VAL 533.A O no hydrogen 2.639 N/A GLU 536.A N VAL 533.A O no hydrogen 3.388 N/A LEU 537.A N ALA 357.A O no hydrogen 2.766 N/A ILE 538.A N LEU 531.A O no hydrogen 2.920 N/A LEU 539.A N PHE 355.A O no hydrogen 2.762 N/A GLU 540.A N HIS 528.A O no hydrogen 3.045 N/A ALA 541.A N LEU 353.A O no hydrogen 2.991 N/A LYS 543.A N ASP 351.A O no hydrogen 2.880 N/A GLU 544.A N GLU 544.A OE1 no hydrogen 2.852 N/A GLU 545.A N PRO 542.A O no hydrogen 2.820 N/A MET 546.A N LYS 543.A O no hydrogen 3.144 N/A ARG 548.A NH2 GLU 523.A O no hydrogen 3.355 N/A ARG 548.A NH2 GLU 523.A OE1 no hydrogen 2.929 N/A LEU 549.A N GLU 545.A O no hydrogen 3.026 N/A CYS 550.A N MET 546.A O no hydrogen 3.027 N/A CYS 550.A SG MET 546.A O no hydrogen 3.317 N/A ARG 551.A N ARG 548.A O no hydrogen 3.187 N/A LEU 552.A N ARG 548.A O no hydrogen 2.892 N/A VAL 553.A N LEU 549.A O no hydrogen 3.008 N/A GLU 555.A N ARG 551.A O no hydrogen 3.364 N/A VAL 556.A N LEU 552.A O no hydrogen 3.005 N/A MET 557.A N VAL 553.A O no hydrogen 2.947 N/A GLU 558.A N PRO 554.A O no hydrogen 2.719 N/A GLN 559.A N GLU 555.A O no hydrogen 2.919 N/A GLN 559.A N VAL 556.A O no hydrogen 3.152 N/A ALA 560.A N MET 557.A O no hydrogen 3.394 N/A ARG 564.A N HIS 369.A ND1 no hydrogen 2.831 N/A ARG 564.A NH1 HIS 369.A O no hydrogen 2.542 N/A LYS 568.A NZ ASP 383.A OD1 no hydrogen 3.363 N/A LYS 568.A NZ ASP 383.A OD2 no hydrogen 2.547 N/A VAL 569.A N GLU 558.A OE1 no hydrogen 3.097 N/A ASP 570.A N ASP 358.A O no hydrogen 3.036 N/A HIS 572.A N ALA 356.A O no hydrogen 2.956 N/A GLY 574.A N ILE 354.A O no hydrogen 2.949 N/A THR 576.A OG1 ASP 579.A OD1 no hydrogen 2.833 N/A TRP 577.A N PHE 345.A O no hydrogen 2.978 N/A TYR 578.A N ARG 342.A O no hydrogen 3.082 N/A TYR 578.A OH GLU 336.A OE2 no hydrogen 2.981 N/A ASP 579.A N THR 576.A O no hydrogen 2.931 N/A ASP 579.A N THR 576.A OG1 no hydrogen 3.209 N/A ALA 580.A N THR 576.A O no hydrogen 3.259 N/A ALA 580.A N TRP 577.A O no hydrogen 3.148 N/A