Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bs6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 627.A O no hydrogen 2.885 N/A LEU 5.A N THR 625.A O no hydrogen 3.223 N/A SER 8.A N VAL 618.A O no hydrogen 2.773 N/A ASP 10.A N TYR 559.A OH no hydrogen 2.878 N/A TRP 12.A NE1 THR 15.A O no hydrogen 2.778 N/A THR 15.A N ASP 13.A OD1 no hydrogen 3.011 N/A LYS 16.A NZ ASN 51.A OD1 no hydrogen 2.739 N/A LYS 16.A NZ VAL 55.A O no hydrogen 3.035 N/A LYS 16.A NZ ARG 100.A O no hydrogen 3.259 N/A LYS 16.A NZ GLY 101.A O no hydrogen 3.299 N/A ARG 17.A NH1 ASP 13.A OD1 no hydrogen 2.892 N/A ARG 17.A NH1 ASP 13.A OD2 no hydrogen 3.443 N/A ARG 17.A NH1 ASN 557.A O no hydrogen 3.249 N/A ARG 17.A NH2 ASP 13.A OD2 no hydrogen 2.577 N/A ALA 18.A N ASN 557.A OD1 no hydrogen 3.002 N/A SER 21.A N PRO 485.A O no hydrogen 2.947 N/A TYR 22.A N ALA 57.A O no hydrogen 2.897 N/A TYR 22.A OH GLU 492.A OE2 no hydrogen 2.692 N/A GLN 23.A N ILE 487.A O no hydrogen 2.762 N/A GLN 23.A NE2 HIS 455.A ND1 no hydrogen 3.011 N/A LEU 24.A N TRP 59.A O no hydrogen 3.161 N/A LEU 26.A N SER 61.A OG no hydrogen 2.835 N/A SER 28.A N LEU 25.A O no hydrogen 2.993 N/A SER 28.A OG LEU 25.A O no hydrogen 3.463 N/A SER 28.A OG TYR 489.A OH no hydrogen 2.908 N/A ASP 31.A N TYR 516.A O no hydrogen 2.679 N/A SER 32.A N ASP 39.A OD2 no hydrogen 2.942 N/A SER 32.A OG ASP 39.A OD1 no hydrogen 2.698 N/A SER 32.A OG ASP 39.A OD2 no hydrogen 3.323 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 3.168 N/A GLY 36.A N ASP 31.A OD2 no hydrogen 2.725 N/A TYR 37.A N ASP 35.A OD1 no hydrogen 2.818 N/A GLY 38.A N TYR 27.A O no hydrogen 2.945 N/A ASP 39.A N ALA 30.A O no hydrogen 2.959 N/A LEU 40.A N LEU 84.A O no hydrogen 2.788 N/A ASN 41.A ND2 ASP 89.A OD1 no hydrogen 3.260 N/A GLY 42.A N ASP 39.A OD1 no hydrogen 2.744 N/A VAL 43.A N ASP 39.A O no hydrogen 3.328 N/A THR 44.A N LEU 40.A O no hydrogen 2.969 N/A THR 44.A OG1 LEU 40.A O no hydrogen 3.326 N/A GLN 45.A N ASN 41.A O no hydrogen 2.862 N/A LYS 46.A N VAL 43.A O no hydrogen 2.941 N/A LYS 46.A NZ ASP 514.A OD2 no hydrogen 2.816 N/A LEU 47.A N THR 44.A O no hydrogen 3.228 N/A TYR 49.A OH GLU 492.A OE2 no hydrogen 2.716 N/A LEU 50.A N LYS 46.A O no hydrogen 3.074 N/A ASN 51.A N LEU 47.A O no hydrogen 2.911 N/A ASN 51.A ND2 ARG 100.A O no hydrogen 3.587 N/A GLN 52.A N ASP 48.A O no hydrogen 3.110 N/A LEU 53.A N LEU 50.A O no hydrogen 3.018 N/A GLY 54.A N ASN 51.A O no hydrogen 2.862 N/A LYS 56.A N ILE 20.A O no hydrogen 2.746 N/A LYS 56.A NZ LYS 16.A O no hydrogen 2.986 N/A LEU 58.A N LYS 103.A O no hydrogen 2.812 N/A TRP 59.A N TYR 22.A O no hydrogen 2.909 N/A TRP 59.A NE1 ASP 107.A OD2 no hydrogen 2.881 N/A LEU 60.A N TYR 105.A O no hydrogen 3.051 N/A HIS 64.A ND1 LYS 79.A O no hydrogen 3.074 N/A CYS 66.A SG HIS 64.A O no hydrogen 3.523 N/A CYS 66.A SG SER 68.A O no hydrogen 3.253 N/A MET 67.A N ASP 73.A O no hydrogen 3.196 N/A MET 67.A N ASP 73.A OD1 no hydrogen 3.019 N/A SER 68.A N ASP 73.A OD1 no hydrogen 2.868 N/A SER 68.A OG ASP 73.A OD2 no hydrogen 2.657 N/A GLY 71.A N SER 68.A O no hydrogen 3.235 N/A TYR 72.A N HIS 70.A ND1 no hydrogen 3.036 N/A TYR 72.A OH ASP 107.A OD2 no hydrogen 2.627 N/A TYR 72.A OH HIS 455.A NE2 no hydrogen 3.013 N/A THR 75.A N PRO 65.A O no hydrogen 2.828 N/A TYR 77.A OH VAL 109.A O no hydrogen 2.889 N/A THR 78.A N ASP 76.A OD1 no hydrogen 3.033 N/A THR 78.A OG1 ASP 76.A OD1 no hydrogen 2.735 N/A VAL 80.A N GLU 87.A OE2 no hydrogen 2.642 N/A ASN 81.A N ILE 63.A O no hydrogen 2.632 N/A GLN 83.A N ASN 81.A OD1 no hydrogen 2.954 N/A LEU 84.A N ASN 81.A O no hydrogen 2.899 N/A GLY 85.A N PRO 82.A O no hydrogen 3.399 N/A THR 86.A N ASP 89.A OD2 no hydrogen 2.898 N/A THR 86.A OG1 SER 88.A OG no hydrogen 3.266 N/A SER 88.A OG THR 86.A OG1 no hydrogen 3.266 N/A ASP 89.A N THR 86.A OG1 no hydrogen 2.930 N/A PHE 90.A N THR 86.A O no hydrogen 3.240 N/A ASP 91.A N GLU 87.A O no hydrogen 3.165 N/A ARG 92.A N SER 88.A O no hydrogen 2.765 N/A ARG 92.A NH1 ASN 41.A OD1 no hydrogen 3.550 N/A ARG 92.A NH2 ASN 41.A OD1 no hydrogen 2.850 N/A LEU 93.A N ASP 89.A O no hydrogen 3.007 N/A VAL 94.A N PHE 90.A O no hydrogen 3.080 N/A THR 95.A N ASP 91.A O no hydrogen 3.176 N/A THR 95.A OG1 ASP 91.A O no hydrogen 3.146 N/A GLU 96.A N ARG 92.A O no hydrogen 2.998 N/A ALA 97.A N LEU 93.A O no hydrogen 2.992 N/A HIS 98.A N VAL 94.A O no hydrogen 2.918 N/A HIS 98.A NE2 ASP 341.A OD2 no hydrogen 2.751 N/A ASN 99.A N THR 95.A O no hydrogen 2.937 N/A ASN 99.A ND2 GLU 96.A OE1 no hydrogen 3.437 N/A ARG 100.A N ALA 97.A O no hydrogen 2.972 N/A ARG 100.A NE ASP 48.A OD1 no hydrogen 3.072 N/A ARG 100.A NH1 GLU 96.A O no hydrogen 2.774 N/A ARG 100.A NH1 GLU 96.A OE1 no hydrogen 3.125 N/A GLY 101.A N HIS 98.A O no hydrogen 3.059 N/A ILE 102.A N ALA 97.A O no hydrogen 2.756 N/A LYS 103.A N LYS 56.A O no hydrogen 2.786 N/A ILE 104.A N ASP 341.A OD2 no hydrogen 2.915 N/A TYR 105.A N LEU 58.A O no hydrogen 2.716 N/A LEU 106.A N GLY 342.A O no hydrogen 3.165 N/A TYR 108.A N ARG 344.A O no hydrogen 2.746 N/A TYR 108.A OH ILE 328.A O no hydrogen 2.714 N/A ASN 111.A ND2 HIS 112.A ND1 no hydrogen 2.949 N/A ASN 111.A ND2 ASP 310.A OD1 no hydrogen 3.405 N/A ASN 111.A ND2 ASP 310.A OD2 no hydrogen 3.123 N/A THR 113.A N ALA 309.A O no hydrogen 3.143 N/A THR 113.A OG1 GLY 114.A O no hydrogen 2.854 N/A THR 113.A OG1 TYR 135.A OH no hydrogen 2.741 N/A GLY 114.A N VAL 74.A O no hydrogen 2.930 N/A THR 115.A N TRP 307.A O no hydrogen 2.802 N/A THR 115.A OG1 ASP 306.A O no hydrogen 2.765 N/A HIS 117.A N GLY 114.A O no hydrogen 3.036 N/A TRP 119.A N HIS 117.A ND1 no hydrogen 2.904 N/A PHE 120.A N HIS 117.A O no hydrogen 2.912 N/A THR 121.A N HIS 117.A O no hydrogen 3.117 N/A THR 121.A OG1 HIS 117.A O no hydrogen 3.496 N/A GLU 122.A N PRO 118.A O no hydrogen 3.035 N/A ALA 123.A N TRP 119.A O no hydrogen 2.905 N/A SER 124.A N PHE 120.A O no hydrogen 2.844 N/A SER 124.A OG PHE 120.A O no hydrogen 2.667 N/A SER 124.A OG THR 121.A O no hydrogen 3.519 N/A SER 125.A N GLU 122.A O no hydrogen 2.983 N/A SER 125.A OG GLU 122.A O no hydrogen 2.482 N/A GLU 128.A N SER 126.A OG no hydrogen 2.652 N/A SER 129.A N SER 126.A O no hydrogen 3.257 N/A TYR 131.A N SER 129.A OG no hydrogen 3.025 N/A ARG 132.A N SER 129.A O no hydrogen 3.069 N/A ARG 132.A NH1 ALA 123.A O no hydrogen 2.949 N/A ARG 132.A NH1 SER 126.A O no hydrogen 3.240 N/A TYR 134.A N TYR 131.A O no hydrogen 2.849 N/A TYR 135.A OH THR 113.A OG1 no hydrogen 2.741 N/A SER 138.A N TYR 298.A O no hydrogen 2.892 N/A SER 138.A OG ASP 144.A OD2 no hydrogen 2.495 N/A ASP 140.A N SER 138.A OG no hydrogen 2.977 N/A THR 143.A OG1 ASP 140.A OD2 no hydrogen 2.636 N/A ASP 144.A N ASP 140.A O no hydrogen 2.926 N/A ILE 145.A N PRO 141.A O no hydrogen 2.848 N/A ALA 146.A N LYS 142.A O no hydrogen 3.234 N/A ALA 147.A N THR 143.A O no hydrogen 2.960 N/A GLY 148.A N ILE 145.A O no hydrogen 3.008 N/A LYS 149.A N ASP 144.A O no hydrogen 2.865 N/A ILE 153.A N ILE 150.A O no hydrogen 2.806 N/A GLN 155.A NE2 THR 154.A OG1 no hydrogen 3.067 N/A GLY 160.A N GLY 157.A O no hydrogen 2.924 N/A TYR 161.A N ALA 158.A O no hydrogen 3.082 N/A ASN 162.A ND2 GLU 165.A OE2 no hydrogen 3.087 N/A ALA 164.A N ASN 162.A OD1 no hydrogen 3.238 N/A GLU 165.A N ASN 162.A O no hydrogen 2.762 N/A TRP 166.A N ALA 163.A O no hydrogen 3.203 N/A PHE 167.A N PHE 299.A O no hydrogen 2.886 N/A VAL 169.A N THR 297.A O no hydrogen 2.882 N/A GLU 172.A N SER 170.A OG no hydrogen 3.042 N/A THR 173.A OG1 ALA 174.A O no hydrogen 2.986 N/A VAL 176.A N SER 243.A O no hydrogen 2.966 N/A GLY 178.A N PHE 241.A O no hydrogen 3.086 N/A LEU 180.A N VAL 239.A O no hydrogen 3.108 N/A LYS 181.A N SER 197.A O no hydrogen 2.864 N/A LYS 181.A NZ GLU 236.A OE1 no hydrogen 3.279 N/A PHE 182.A N LEU 237.A O no hydrogen 2.794 N/A THR 183.A N VAL 195.A O no hydrogen 2.696 N/A LEU 184.A N TYR 235.A O no hydrogen 2.775 N/A ASP 185.A N ILE 193.A O no hydrogen 2.787 N/A TRP 186.A N ASN 233.A O no hydrogen 2.748 N/A SER 187.A N ASP 185.A OD1 no hydrogen 3.350 N/A SER 187.A OG ASP 185.A OD1 no hydrogen 3.023 N/A ILE 193.A N ASP 185.A O no hydrogen 2.980 N/A LEU 194.A N PHE 278.A O no hydrogen 2.985 N/A VAL 195.A N THR 183.A O no hydrogen 2.804 N/A SER 197.A N LYS 181.A O no hydrogen 2.958 N/A GLY 199.A N LEU 179.A O no hydrogen 2.847 N/A LYS 201.A N THR 200.A OG1 no hydrogen 2.482 N/A ASP 203.A N THR 238.A O no hydrogen 2.975 N/A ASN 206.A ND2 PHE 227.A O no hydrogen 3.044 N/A ASP 208.A N ASN 206.A OD1 no hydrogen 3.178 N/A GLY 210.A N ASP 208.A OD1 no hydrogen 2.738 N/A ALA 214.A N THR 211.A O no hydrogen 3.304 N/A LYS 215.A NZ ASN 213.A O no hydrogen 3.193 N/A LYS 215.A NZ TYR 235.A OH no hydrogen 3.486 N/A TYR 216.A N ARG 250.A O no hydrogen 2.737 N/A LEU 217.A N LYS 225.A O no hydrogen 2.694 N/A TYR 218.A N LEU 248.A O no hydrogen 2.826 N/A TYR 218.A OH ASP 222.A OD1 no hydrogen 2.729 N/A TYR 219.A N ILE 223.A O no hydrogen 3.024 N/A GLY 220.A N SER 243.A OG no hydrogen 3.326 N/A ILE 223.A N TYR 219.A O no hydrogen 2.891 N/A LYS 225.A N LEU 217.A O no hydrogen 2.876 N/A LYS 225.A NZ ASP 205.A OD1 no hydrogen 2.894 N/A LYS 225.A NZ ASP 205.A OD2 no hydrogen 3.162 N/A LYS 226.A NZ ASP 208.A O no hydrogen 2.817 N/A LYS 226.A NZ GLY 210.A O no hydrogen 2.993 N/A PHE 227.A N LYS 215.A O no hydrogen 2.762 N/A TYR 228.A N GLU 236.A O no hydrogen 3.016 N/A TYR 228.A OH GLU 204.A O no hydrogen 2.571 N/A LYS 230.A N ILE 234.A O no hydrogen 2.745 N/A GLY 231.A N ASP 229.A OD1 no hydrogen 2.772 N/A ILE 234.A N GLY 231.A O no hydrogen 3.041 N/A TYR 235.A N LEU 184.A O no hydrogen 2.917 N/A GLU 236.A N TYR 228.A O no hydrogen 2.918 N/A LEU 237.A N PHE 182.A O no hydrogen 3.054 N/A THR 238.A N ASP 203.A OD2 no hydrogen 2.822 N/A VAL 239.A N LEU 180.A O no hydrogen 3.087 N/A PHE 241.A N GLY 178.A O no hydrogen 2.891 N/A SER 243.A N VAL 176.A O no hydrogen 3.077 N/A SER 243.A OG GLY 246.A O no hydrogen 2.552 N/A TRP 245.A NE1 GLY 220.A O no hydrogen 2.758 N/A GLY 246.A N SER 243.A OG no hydrogen 3.054 N/A LEU 247.A N ILE 289.A O no hydrogen 2.923 N/A LEU 248.A N TYR 218.A O no hydrogen 2.713 N/A ILE 249.A N TYR 263.A O no hydrogen 3.007 N/A ARG 250.A N TYR 216.A O no hydrogen 2.891 N/A ARG 250.A NH2 ALA 254.A O no hydrogen 2.805 N/A THR 251.A N THR 261.A O no hydrogen 3.061 N/A THR 251.A OG1 THR 261.A O no hydrogen 3.558 N/A ALA 254.A N SER 252.A OG no hydrogen 3.225 N/A THR 261.A N PRO 258.A O no hydrogen 3.218 N/A THR 261.A OG1 PRO 258.A O no hydrogen 2.482 N/A LYS 262.A NZ ASN 285.A OD1 no hydrogen 3.127 N/A TYR 263.A N ILE 249.A O no hydrogen 2.705 N/A GLY 264.A N THR 281.A O no hydrogen 2.880 N/A ALA 265.A N ALA 287.A O no hydrogen 2.797 N/A SER 267.A OG SER 269.A OG no hydrogen 2.895 N/A SER 269.A OG SER 267.A OG no hydrogen 2.895 N/A SER 269.A OG GLU 270.A OE2 no hydrogen 3.325 N/A GLU 270.A N SER 267.A O no hydrogen 3.006 N/A LEU 272.A N MET 290.A O no hydrogen 2.794 N/A ASN 275.A N VAL 196.A O no hydrogen 2.841 N/A PHE 278.A N LEU 194.A O no hydrogen 2.853 N/A LEU 280.A N PRO 192.A O no hydrogen 2.996 N/A THR 281.A N GLY 264.A O no hydrogen 3.175 N/A ASN 282.A ND2 GLY 260.A O no hydrogen 3.220 N/A ALA 283.A N THR 281.A OG1 no hydrogen 3.044 N/A ALA 287.A N ALA 265.A O no hydrogen 2.706 N/A ILE 289.A N LEU 247.A O no hydrogen 3.005 N/A PHE 291.A N GLN 294.A OE1 no hydrogen 2.855 N/A ASP 292.A N LEU 272.A O no hydrogen 2.917 N/A GLN 294.A N PHE 291.A O no hydrogen 2.867 N/A GLN 294.A NE2 ALA 174.A O no hydrogen 3.185 N/A GLN 295.A NE2 ASP 292.A O no hydrogen 2.763 N/A TYR 298.A N SER 138.A O no hydrogen 2.766 N/A PHE 299.A N PHE 167.A O no hydrogen 2.657 N/A HIS 300.A N SER 136.A O no hydrogen 3.097 N/A HIS 300.A ND1 GLU 165.A O no hydrogen 3.049 N/A SER 301.A N GLU 165.A O no hydrogen 2.877 N/A SER 301.A OG THR 305.A O no hydrogen 2.684 N/A SER 301.A OG PHE 308.A O no hydrogen 3.337 N/A HIS 302.A N ASP 310.A OD1 no hydrogen 2.838 N/A CYS 304.A N SER 301.A O no hydrogen 2.988 N/A CYS 304.A SG ALA 164.A O no hydrogen 3.431 N/A CYS 304.A SG HIS 302.A O no hydrogen 3.623 N/A TRP 307.A N THR 305.A OG1 no hydrogen 3.141 N/A PHE 308.A N THR 305.A O no hydrogen 3.302 N/A ALA 309.A N THR 113.A O no hydrogen 2.954 N/A ASP 310.A N HIS 300.A O no hydrogen 2.985 N/A LEU 311.A N ASN 111.A O no hydrogen 2.878 N/A ASN 312.A N TYR 134.A O no hydrogen 2.578 N/A ASN 312.A ND2 ASN 133.A O no hydrogen 3.132 N/A TYR 313.A OH MET 110.A O no hydrogen 2.634 N/A GLY 314.A N ASN 312.A OD1 no hydrogen 3.070 N/A GLN 318.A N PRO 315.A O no hydrogen 2.758 N/A ALA 319.A N VAL 316.A O no hydrogen 3.136 N/A GLU 321.A N GLN 318.A O no hydrogen 2.975 N/A SER 322.A N ALA 319.A O no hydrogen 3.073 N/A SER 322.A OG ALA 319.A O no hydrogen 2.909 N/A TYR 325.A N SER 322.A OG no hydrogen 3.193 N/A TYR 325.A OH ASP 370.A OD2 no hydrogen 2.764 N/A GLN 326.A N SER 322.A O no hydrogen 3.040 N/A ALA 327.A N PRO 323.A O no hydrogen 2.901 N/A ILE 328.A N ALA 324.A O no hydrogen 3.016 N/A ALA 329.A N TYR 325.A O no hydrogen 2.826 N/A ASP 330.A N GLN 326.A O no hydrogen 3.122 N/A ALA 331.A N ALA 327.A O no hydrogen 3.134 N/A ALA 332.A N ILE 328.A O no hydrogen 3.196 N/A LYS 333.A N ALA 329.A O no hydrogen 3.035 N/A GLY 334.A N ASP 330.A O no hydrogen 3.137 N/A TRP 335.A N ALA 331.A O no hydrogen 3.337 N/A TRP 335.A N ALA 332.A O no hydrogen 3.124 N/A TRP 335.A NE1 TYR 77.A O no hydrogen 2.729 N/A ILE 336.A N ALA 332.A O no hydrogen 3.153 N/A ALA 337.A N LYS 333.A O no hydrogen 2.902 N/A ARG 338.A N TRP 335.A O no hydrogen 2.984 N/A ARG 338.A NH1 GLU 87.A O no hydrogen 3.513 N/A ARG 338.A NH1 ASP 91.A OD1 no hydrogen 2.982 N/A ARG 338.A NH1 ASP 91.A OD2 no hydrogen 3.241 N/A ARG 338.A NH2 GLU 87.A OE1 no hydrogen 2.455 N/A GLY 339.A N ILE 336.A O no hydrogen 2.958 N/A VAL 340.A N TRP 335.A O no hydrogen 3.076 N/A ASP 341.A N ILE 104.A O no hydrogen 2.903 N/A LEU 343.A N TYR 385.A O no hydrogen 3.105 N/A ARG 344.A N LEU 106.A O no hydrogen 2.794 N/A ARG 344.A NH1 ASP 107.A OD1 no hydrogen 2.945 N/A ARG 344.A NH1 ASP 346.A OD1 no hydrogen 2.950 N/A LEU 345.A N ILE 387.A O no hydrogen 2.705 N/A ASP 346.A N TYR 108.A O no hydrogen 3.052 N/A ALA 347.A N GLU 389.A OE1 no hydrogen 2.830 N/A VAL 348.A N GLU 389.A O no hydrogen 3.333 N/A LYS 349.A NZ GLU 355.A OE1 no hydrogen 3.550 N/A LYS 349.A NZ LEU 391.A O no hydrogen 2.955 N/A LYS 349.A NZ SER 392.A OG no hydrogen 2.905 N/A HIS 350.A N ALA 347.A O no hydrogen 3.048 N/A TYR 352.A N ASN 360.A OD1 no hydrogen 2.675 N/A TYR 352.A OH GLY 314.A O no hydrogen 2.653 N/A HIS 353.A N MET 152.A O no hydrogen 2.942 N/A HIS 353.A ND1 GLU 156.A OE1 no hydrogen 2.708 N/A HIS 353.A NE2 GLU 165.A OE1 no hydrogen 2.762 N/A THR 356.A N SER 354.A OG no hydrogen 3.290 N/A SER 357.A N SER 354.A OG no hydrogen 2.995 N/A SER 357.A OG GLU 359.A OE1 no hydrogen 2.761 N/A GLU 359.A N SER 357.A OG no hydrogen 3.067 N/A ASN 360.A ND2 TYR 352.A O no hydrogen 3.011 N/A ASN 360.A ND2 TYR 400.A OH no hydrogen 3.366 N/A ARG 362.A N GLU 358.A O no hydrogen 3.094 N/A ARG 362.A NH1 ASP 317.A OD1 no hydrogen 2.886 N/A PHE 363.A N GLU 359.A O no hydrogen 2.802 N/A LEU 364.A N ASN 360.A O no hydrogen 2.839 N/A LYS 365.A N PRO 361.A O no hydrogen 2.948 N/A MET 366.A N ARG 362.A O no hydrogen 3.061 N/A PHE 367.A N PHE 363.A O no hydrogen 3.039 N/A TYR 368.A N LEU 364.A O no hydrogen 2.742 N/A TYR 368.A OH PHE 384.A O no hydrogen 2.661 N/A GLU 369.A N LYS 365.A O no hydrogen 2.991 N/A ASP 370.A N MET 366.A O no hydrogen 3.027 N/A MET 371.A N PHE 367.A O no hydrogen 2.961 N/A ASN 372.A N TYR 368.A O no hydrogen 2.757 N/A ASN 372.A ND2 ASP 383.A OD1 no hydrogen 3.142 N/A ALA 373.A N GLU 369.A O no hydrogen 3.090 N/A TYR 374.A N ASP 370.A O no hydrogen 3.223 N/A TYR 375.A N MET 371.A O no hydrogen 2.922 N/A LYS 376.A N ASN 372.A O no hydrogen 3.035 N/A LYS 376.A NZ ASP 382.A O no hydrogen 2.894 N/A LYS 376.A NZ ASP 383.A OD1 no hydrogen 2.865 N/A GLN 377.A N ALA 373.A O no hydrogen 3.033 N/A LYS 378.A N TYR 375.A O no hydrogen 3.098 N/A GLY 379.A N LYS 376.A O no hydrogen 2.808 N/A HIS 380.A N LYS 376.A O no hydrogen 3.325 N/A PHE 384.A N ASN 372.A OD1 no hydrogen 2.796 N/A TYR 385.A N ASP 341.A O no hydrogen 3.375 N/A TYR 385.A OH TYR 486.A OH no hydrogen 2.812 N/A ILE 387.A N LEU 343.A O no hydrogen 2.942 N/A GLY 388.A N ALA 406.A O no hydrogen 3.010 N/A GLU 389.A N LEU 345.A O no hydrogen 3.001 N/A SER 392.A N VAL 390.A O no hydrogen 2.773 N/A TYR 394.A N SER 411.A OG no hydrogen 2.918 N/A LYS 396.A N GLU 393.A O no hydrogen 3.077 N/A VAL 397.A N GLU 393.A O no hydrogen 3.183 N/A ALA 398.A N TYR 394.A O no hydrogen 2.897 N/A TYR 400.A N VAL 397.A O no hydrogen 2.802 N/A TYR 400.A OH GLU 355.A O no hydrogen 2.644 N/A TYR 401.A N ALA 398.A O no hydrogen 2.911 N/A TYR 401.A OH ILE 447.A O no hydrogen 2.813 N/A LYS 402.A N PRO 399.A O no hydrogen 3.191 N/A LYS 402.A NZ PRO 399.A O no hydrogen 2.650 N/A GLY 403.A N TYR 400.A O no hydrogen 2.868 N/A LEU 404.A N TYR 400.A O no hydrogen 3.031 N/A LEU 407.A N ILE 447.A O no hydrogen 3.383 N/A PHE 408.A N GLY 388.A O no hydrogen 3.387 N/A GLU 409.A N ALA 449.A O no hydrogen 2.895 N/A SER 411.A OG GLU 393.A OE1 no hydrogen 2.471 N/A PHE 412.A N GLU 409.A O no hydrogen 3.065 N/A TYR 414.A N PHE 410.A O no hydrogen 3.005 N/A ARG 415.A N SER 411.A O no hydrogen 2.884 N/A ARG 415.A NH1 GLU 393.A OE1 no hydrogen 2.970 N/A ARG 415.A NH1 GLU 393.A OE2 no hydrogen 3.352 N/A ARG 415.A NH1 TYR 435.A OH no hydrogen 2.877 N/A ARG 415.A NH2 GLU 393.A OE2 no hydrogen 2.889 N/A LEU 416.A N PHE 412.A O no hydrogen 2.903 N/A GLU 417.A N TRP 413.A O no hydrogen 2.932 N/A TRP 418.A N TYR 414.A O no hydrogen 3.381 N/A GLY 419.A N ARG 415.A O no hydrogen 2.900 N/A ILE 420.A N LEU 416.A O no hydrogen 2.917 N/A ASN 421.A N GLU 417.A O no hydrogen 2.944 N/A ASN 421.A ND2 GLU 417.A OE2 no hydrogen 2.535 N/A ASN 421.A ND2 LYS 463.A O no hydrogen 2.869 N/A ASN 422.A N GLY 419.A O no hydrogen 3.378 N/A ASN 422.A ND2 TRP 418.A O no hydrogen 2.979 N/A SER 423.A N ILE 420.A O no hydrogen 3.182 N/A THR 424.A N GLY 419.A O no hydrogen 2.745 N/A THR 424.A OG1 ASN 422.A O no hydrogen 3.023 N/A GLY 425.A N LYS 582.A O no hydrogen 2.738 N/A CYS 426.A N LYS 582.A O no hydrogen 3.083 N/A CYS 426.A SG LYS 582.A O no hydrogen 3.588 N/A PHE 428.A N GLY 425.A O no hydrogen 3.118 N/A ASP 431.A N TYR 427.A O no hydrogen 2.860 N/A ILE 432.A N PHE 428.A O no hydrogen 2.986 N/A LEU 433.A N ALA 429.A O no hydrogen 2.878 N/A SER 434.A N LYS 430.A O no hydrogen 3.059 N/A SER 434.A OG ASP 431.A O no hydrogen 2.658 N/A TYR 435.A N ASP 431.A O no hydrogen 3.036 N/A GLN 436.A N ILE 432.A O no hydrogen 2.960 N/A GLN 436.A NE2 GLU 448.A OE1 no hydrogen 2.810 N/A GLN 437.A N LEU 433.A O no hydrogen 2.889 N/A LYS 438.A N SER 434.A O no hydrogen 3.209 N/A TYR 439.A N TYR 435.A O no hydrogen 2.934 N/A TYR 439.A OH GLU 409.A OE2 no hydrogen 2.605 N/A ALA 440.A N GLN 436.A O no hydrogen 2.905 N/A ASN 441.A N GLN 437.A O no hydrogen 3.137 N/A ASN 441.A N LYS 438.A O no hydrogen 3.147 N/A TYR 442.A N TYR 439.A O no hydrogen 2.969 N/A ARG 443.A N TYR 439.A O no hydrogen 2.986 N/A ARG 443.A NE TYR 401.A O no hydrogen 2.858 N/A ARG 443.A NH2 TYR 401.A O no hydrogen 3.271 N/A ILE 447.A N PRO 405.A O no hydrogen 2.920 N/A ALA 449.A N LEU 407.A O no hydrogen 3.311 N/A LYS 451.A NZ LEU 452.A O no hydrogen 2.598 N/A LYS 451.A NZ GLU 457.A OE1 no hydrogen 2.843 N/A SER 453.A N THR 460.A OG1 no hydrogen 3.121 N/A SER 453.A OG THR 460.A OG1 no hydrogen 2.998 N/A ASN 454.A N GLU 457.A OE1 no hydrogen 3.021 N/A HIS 455.A NE2 TYR 72.A OH no hydrogen 3.013 N/A ASN 456.A N ASN 454.A OD1 no hydrogen 2.930 N/A GLU 457.A N ASN 454.A O no hydrogen 3.219 N/A ARG 459.A N GLY 497.A O no hydrogen 2.931 N/A ARG 459.A NE VAL 506.A O no hydrogen 3.207 N/A ARG 459.A NH1 TYR 489.A O no hydrogen 2.801 N/A ARG 459.A NH2 TYR 489.A O no hydrogen 3.232 N/A ARG 459.A NH2 VAL 506.A O no hydrogen 3.322 N/A THR 460.A N SER 453.A OG no hydrogen 2.867 N/A THR 460.A OG1 SER 453.A OG no hydrogen 2.998 N/A LYS 463.A N ARG 459.A O no hydrogen 2.909 N/A LEU 464.A N THR 460.A O no hydrogen 2.934 N/A GLY 465.A N SER 462.A O no hydrogen 2.990 N/A LYS 466.A N SER 461.A O no hydrogen 2.589 N/A SER 467.A N LEU 464.A O no hydrogen 3.399 N/A LYS 470.A N SER 467.A OG no hydrogen 3.288 N/A LYS 470.A NZ ASN 421.A OD1 no hydrogen 3.395 N/A CYS 471.A N SER 467.A O no hydrogen 2.968 N/A CYS 471.A SG SER 467.A O no hydrogen 3.303 N/A LYS 472.A N ALA 468.A O no hydrogen 2.959 N/A LYS 472.A NZ HIS 543.A O no hydrogen 2.920 N/A LEU 473.A N ASP 469.A O no hydrogen 2.958 N/A ALA 474.A N LYS 470.A O no hydrogen 2.880 N/A ALA 475.A N CYS 471.A O no hydrogen 3.061 N/A ALA 476.A N LYS 472.A O no hydrogen 2.863 N/A VAL 477.A N LEU 473.A O no hydrogen 2.882 N/A LEU 478.A N ALA 474.A O no hydrogen 3.070 N/A LEU 479.A N ALA 475.A O no hydrogen 3.061 N/A THR 480.A N ALA 476.A O no hydrogen 2.944 N/A THR 480.A OG1 ALA 476.A O no hydrogen 2.696 N/A THR 480.A OG1 HIS 600.A NE2 no hydrogen 2.905 N/A SER 481.A OG VAL 477.A O no hydrogen 2.809 N/A HIS 484.A N GLU 448.A O no hydrogen 2.923 N/A HIS 484.A ND1 ASP 19.A OD2 no hydrogen 2.272 N/A TYR 486.A N THR 450.A O no hydrogen 2.838 N/A TYR 486.A OH TYR 385.A OH no hydrogen 2.812 N/A ILE 487.A N SER 21.A O no hydrogen 2.713 N/A TYR 488.A N GLU 491.A OE1 no hydrogen 2.813 N/A TYR 488.A OH VAL 506.A O no hydrogen 2.683 N/A TYR 489.A N GLN 23.A O no hydrogen 2.865 N/A TYR 489.A OH SER 508.A O no hydrogen 2.632 N/A GLU 491.A N TYR 488.A O no hydrogen 2.989 N/A GLU 492.A N GLU 492.A OE1 no hydrogen 2.651 N/A LEU 493.A N GLY 490.A O no hydrogen 3.084 N/A GLY 494.A N GLY 490.A O no hydrogen 2.931 N/A LEU 495.A N GLY 490.A O no hydrogen 3.049 N/A TYR 496.A OH THR 527.A OG1 no hydrogen 2.804 N/A GLY 497.A N SER 462.A OG no hydrogen 2.765 N/A THR 498.A OG1 ASP 500.A OD1 no hydrogen 2.412 N/A LYS 499.A N ASP 458.A OD1 no hydrogen 2.896 N/A LYS 499.A NZ ASN 456.A O no hydrogen 2.912 N/A GLY 502.A N LYS 499.A O no hydrogen 2.907 N/A GLU 504.A N GLU 504.A OE1 no hydrogen 2.681 N/A TYR 505.A N GLY 502.A O no hydrogen 3.214 N/A VAL 506.A N ASP 503.A O no hydrogen 3.003 N/A ARG 507.A N GLU 504.A O no hydrogen 2.859 N/A ARG 507.A NE HIS 455.A O no hydrogen 2.884 N/A ARG 507.A NH1 TYR 69.A OH no hydrogen 2.971 N/A ARG 507.A NH2 HIS 455.A O no hydrogen 2.945 N/A ARG 507.A NH2 ASN 456.A OD1 no hydrogen 3.180 N/A MET 510.A N SER 28.A O no hydrogen 3.179 N/A TRP 512.A N THR 517.A OG1 no hydrogen 3.099 N/A TRP 512.A NE1 PHE 29.A O no hydrogen 2.764 N/A TYR 516.A N ASP 514.A OD1 no hydrogen 2.754 N/A TYR 516.A OH GLN 45.A OE1 no hydrogen 2.485 N/A THR 518.A OG1 SER 28.A O no hydrogen 3.250 N/A ASN 519.A N GLY 36.A O no hydrogen 2.600 N/A TYR 520.A OH ARG 507.A O no hydrogen 2.707 N/A LYS 523.A N THR 521.A OG1 no hydrogen 3.068 N/A LYS 523.A NZ ASN 501.A O no hydrogen 3.229 N/A THR 524.A OG1 THR 521.A O no hydrogen 3.373 N/A THR 527.A N ASP 525.A OD1 no hydrogen 2.975 N/A THR 527.A OG1 TYR 496.A OH no hydrogen 2.804 N/A THR 527.A OG1 ASP 525.A OD1 no hydrogen 2.518 N/A VAL 528.A N ASP 525.A O no hydrogen 3.171 N/A LYS 530.A N THR 527.A O no hydrogen 3.136 N/A ASN 531.A N VAL 528.A O no hydrogen 2.968 N/A ASN 531.A ND2 THR 527.A O no hydrogen 2.620 N/A VAL 535.A N LEU 511.A O no hydrogen 2.839 N/A ALA 536.A N TRP 512.A O no hydrogen 3.139 N/A ASP 537.A N THR 534.A OG1 no hydrogen 3.254 N/A GLN 538.A N THR 534.A O no hydrogen 2.927 N/A GLN 538.A NE2 LEU 493.A O no hydrogen 3.081 N/A GLN 538.A NE2 LYS 533.A O no hydrogen 2.680 N/A GLN 539.A N VAL 535.A O no hydrogen 2.897 N/A ALA 540.A N ASP 537.A O no hydrogen 3.063 N/A ASP 541.A N GLN 538.A O no hydrogen 3.237 N/A HIS 543.A N ASP 541.A OD1 no hydrogen 2.669 N/A SER 544.A N ASP 541.A O no hydrogen 3.178 N/A SER 544.A OG GLN 538.A O no hydrogen 2.675 N/A SER 544.A OG ASP 541.A O no hydrogen 2.994 N/A LEU 546.A N GLN 538.A OE1 no hydrogen 3.100 N/A ASN 547.A N SER 544.A OG no hydrogen 3.126 N/A ASN 547.A ND2 GLN 539.A O no hydrogen 3.457 N/A ASN 547.A ND2 ASP 541.A O no hydrogen 2.548 N/A ILE 548.A N SER 544.A O no hydrogen 3.254 N/A TYR 549.A N LEU 545.A O no hydrogen 3.005 N/A TYR 549.A OH GLU 491.A OE2 no hydrogen 2.543 N/A PHE 550.A N LEU 546.A O no hydrogen 2.930 N/A SER 551.A N ASN 547.A O no hydrogen 2.841 N/A LEU 552.A N ILE 548.A O no hydrogen 2.934 N/A THR 553.A N TYR 549.A O no hydrogen 2.928 N/A THR 553.A OG1 LEU 53.A O no hydrogen 3.104 N/A THR 553.A OG1 TYR 549.A O no hydrogen 2.776 N/A THR 553.A OG1 PHE 550.A O no hydrogen 3.176 N/A ARG 554.A N PHE 550.A O no hydrogen 3.192 N/A LEU 555.A N SER 551.A O no hydrogen 2.991 N/A ARG 556.A N LEU 552.A O no hydrogen 2.997 N/A ARG 556.A NH1 LEU 479.A O no hydrogen 2.817 N/A ARG 556.A NH1 SER 481.A O no hydrogen 2.640 N/A ARG 556.A NH2 SER 481.A O no hydrogen 2.716 N/A ARG 556.A NH2 GLY 483.A O no hydrogen 2.883 N/A ASN 557.A N THR 553.A O no hydrogen 2.882 N/A ASN 557.A ND2 GLY 54.A O no hydrogen 2.994 N/A THR 558.A N LEU 555.A O no hydrogen 2.963 N/A THR 558.A OG1 ARG 554.A O no hydrogen 2.707 N/A TYR 559.A N LEU 555.A O no hydrogen 3.108 N/A ALA 561.A N GLU 594.A OE2 no hydrogen 3.067 N/A LEU 562.A N TYR 559.A O no hydrogen 2.878 N/A ALA 563.A N TYR 559.A O no hydrogen 2.959 N/A GLU 564.A N PRO 560.A O no hydrogen 2.924 N/A ASN 566.A N THR 590.A O no hydrogen 2.855 N/A THR 568.A N TYR 588.A O no hydrogen 3.072 N/A HIS 570.A NE2 ASP 613.A OD2 no hydrogen 2.807 N/A SER 571.A OG TYR 588.A OH no hydrogen 3.001 N/A VAL 572.A N HIS 570.A ND1 no hydrogen 3.140 N/A TYR 573.A N HIS 570.A ND1 no hydrogen 2.997 N/A TYR 573.A OH PRO 610.A O no hydrogen 2.776 N/A ASN 574.A ND2 HIS 570.A O no hydrogen 2.780 N/A GLU 575.A N GLU 575.A OE1 no hydrogen 2.657 N/A SER 576.A N ASN 574.A OD1 no hydrogen 3.017 N/A SER 576.A OG ASN 574.A OD1 no hydrogen 2.653 N/A GLN 577.A N ASN 574.A O no hydrogen 2.890 N/A GLU 578.A N GLU 575.A O no hydrogen 3.134 N/A TYR 581.A N GLN 577.A O no hydrogen 2.947 N/A LYS 582.A NZ GLU 578.A O no hydrogen 2.948 N/A ILE 584.A N TYR 581.A O no hydrogen 3.109 N/A ALA 585.A N HIS 600.A O no hydrogen 2.943 N/A TRP 587.A N VAL 598.A O no hydrogen 2.949 N/A TRP 587.A NE1 THR 480.A O no hydrogen 3.097 N/A TYR 588.A N THR 568.A O no hydrogen 2.992 N/A TYR 588.A OH SER 571.A OG no hydrogen 3.001 N/A TYR 588.A OH ASP 613.A OD1 no hydrogen 2.681 N/A MET 589.A N LEU 596.A O no hydrogen 3.013 N/A THR 590.A N ASN 566.A O no hydrogen 3.091 N/A LYS 591.A N GLU 594.A O no hydrogen 3.057 N/A LYS 591.A NZ ASP 592.A OD1 no hydrogen 3.221 N/A GLU 594.A N LYS 591.A O no hydrogen 2.849 N/A LYS 595.A NZ THR 590.A OG1 no hydrogen 3.169 N/A LEU 596.A N MET 589.A O no hydrogen 2.701 N/A LEU 597.A N PHE 644.A O no hydrogen 2.945 N/A VAL 598.A N TRP 587.A O no hydrogen 2.843 N/A ILE 599.A N VAL 642.A O no hydrogen 3.048 N/A HIS 600.A N ALA 585.A O no hydrogen 2.822 N/A HIS 600.A ND1 SER 641.A OG no hydrogen 2.472 N/A HIS 600.A NE2 THR 480.A OG1 no hydrogen 2.905 N/A ASN 601.A N ALA 640.A O no hydrogen 3.005 N/A ASN 601.A ND2 THR 605.A O no hydrogen 2.904 N/A ASN 601.A ND2 LEU 636.A O no hydrogen 3.203 N/A ASN 601.A ND2 GLY 637.A O no hydrogen 3.203 N/A PHE 602.A N PRO 583.A O no hydrogen 2.857 N/A GLY 603.A N ASN 601.A OD1 no hydrogen 3.010 N/A MET 607.A N LEU 636.A O no hydrogen 3.052 N/A LEU 609.A N LEU 634.A O no hydrogen 2.711 N/A LEU 611.A N TYR 632.A O no hydrogen 2.945 N/A GLU 616.A N LYS 645.A O no hydrogen 2.912 N/A LYS 617.A N LYS 645.A O no hydrogen 3.269 N/A LYS 617.A NZ SER 8.A O no hydrogen 3.473 N/A LYS 617.A NZ ASP 10.A OD1 no hydrogen 3.206 N/A LEU 619.A N VAL 643.A O no hydrogen 2.830 N/A PHE 620.A N VAL 643.A O no hydrogen 3.283 N/A ASN 622.A N SER 641.A O no hydrogen 3.036 N/A GLN 626.A N LYS 635.A O no hydrogen 3.033 N/A GLN 627.A N THR 3.A O no hydrogen 2.663 N/A ASN 628.A N THR 633.A O no hydrogen 3.029 N/A ASN 628.A ND2 ASP 630.A OD1 no hydrogen 3.138 N/A TYR 632.A OH GLN 627.A OE1 no hydrogen 2.994 N/A THR 633.A N ASN 628.A O no hydrogen 2.973 N/A LEU 634.A N LEU 609.A O no hydrogen 2.839 N/A LYS 635.A N GLN 626.A O no hydrogen 2.923 N/A LEU 636.A N MET 607.A O no hydrogen 2.946 N/A GLY 637.A N GLU 624.A O no hydrogen 2.754 N/A TYR 639.A N GLY 603.A O no hydrogen 2.873 N/A ALA 640.A N GLY 637.A O no hydrogen 2.988 N/A SER 641.A N ASN 622.A O no hydrogen 2.897 N/A SER 641.A OG HIS 600.A ND1 no hydrogen 2.472 N/A VAL 642.A N ILE 599.A O no hydrogen 2.993 N/A VAL 643.A N PHE 620.A O no hydrogen 2.929 N/A PHE 644.A N LEU 597.A O no hydrogen 2.812 N/A LYS 645.A N LYS 617.A O no hydrogen 2.706 N/A LYS 645.A NZ GLU 616.A OE1 no hydrogen 3.005 N/A LEU 646.A N LYS 595.A O no hydrogen 3.010 N/A GLY 647.A N LYS 614.A O no hydrogen 2.729 N/A ASN 648.A ND2 ASN 593.A O no hydrogen 3.162 N/A