Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 626.A O no hydrogen 2.826 N/A LEU 4.A N THR 624.A O no hydrogen 3.236 N/A SER 7.A N VAL 617.A O no hydrogen 2.847 N/A ASP 9.A N TYR 558.A OH no hydrogen 2.769 N/A TRP 11.A NE1 THR 14.A O no hydrogen 2.937 N/A THR 14.A N ASP 12.A OD1 no hydrogen 2.959 N/A THR 14.A OG1 ASP 12.A OD1 no hydrogen 3.248 N/A LYS 15.A NZ VAL 54.A O no hydrogen 3.157 N/A LYS 15.A NZ ARG 99.A O no hydrogen 3.153 N/A LYS 15.A NZ GLY 100.A O no hydrogen 3.527 N/A ARG 16.A NH1 ASP 12.A OD1 no hydrogen 3.050 N/A ARG 16.A NH1 ASN 556.A O no hydrogen 3.165 N/A ARG 16.A NH2 ASP 12.A OD1 no hydrogen 3.529 N/A ARG 16.A NH2 ASP 12.A OD2 no hydrogen 2.487 N/A SER 20.A N PRO 484.A O no hydrogen 2.893 N/A TYR 21.A N ALA 56.A O no hydrogen 2.911 N/A TYR 21.A OH GLU 491.A OE1 no hydrogen 2.927 N/A TYR 21.A OH GLU 491.A OE2 no hydrogen 3.402 N/A GLN 22.A N ILE 486.A O no hydrogen 2.772 N/A GLN 22.A NE2 HIS 454.A ND1 no hydrogen 2.909 N/A LEU 23.A N TRP 58.A O no hydrogen 3.153 N/A LEU 25.A N SER 60.A OG no hydrogen 2.924 N/A SER 27.A N LEU 24.A O no hydrogen 2.923 N/A SER 27.A OG LEU 24.A O no hydrogen 3.540 N/A SER 27.A OG TYR 488.A OH no hydrogen 3.020 N/A ASP 30.A N TYR 515.A O no hydrogen 2.783 N/A SER 31.A N ASP 38.A OD1 no hydrogen 2.959 N/A SER 31.A OG ASP 38.A OD1 no hydrogen 3.293 N/A SER 31.A OG ASP 38.A OD2 no hydrogen 2.641 N/A ASP 32.A N ASP 30.A OD1 no hydrogen 3.315 N/A GLY 35.A N ASP 30.A OD2 no hydrogen 2.752 N/A TYR 36.A N ASP 34.A OD1 no hydrogen 2.873 N/A GLY 37.A N TYR 26.A O no hydrogen 2.943 N/A ASP 38.A N ALA 29.A O no hydrogen 3.020 N/A LEU 39.A N LEU 83.A O no hydrogen 2.791 N/A ASN 40.A ND2 ASP 88.A OD1 no hydrogen 3.201 N/A GLY 41.A N ASP 38.A O no hydrogen 3.105 N/A GLY 41.A N ASP 38.A OD2 no hydrogen 2.765 N/A VAL 42.A N ASP 38.A O no hydrogen 3.368 N/A THR 43.A N LEU 39.A O no hydrogen 2.993 N/A THR 43.A OG1 LEU 39.A O no hydrogen 3.413 N/A GLN 44.A N ASN 40.A O no hydrogen 2.869 N/A LYS 45.A N VAL 42.A O no hydrogen 2.883 N/A LYS 45.A NZ ASP 513.A OD2 no hydrogen 3.041 N/A LEU 46.A N THR 43.A O no hydrogen 3.175 N/A TYR 48.A OH GLU 491.A OE1 no hydrogen 2.581 N/A LEU 49.A N LYS 45.A O no hydrogen 3.148 N/A ASN 50.A N LEU 46.A O no hydrogen 2.761 N/A ASN 50.A ND2 ARG 99.A O no hydrogen 3.687 N/A GLN 51.A N ASP 47.A O no hydrogen 3.116 N/A GLN 51.A N TYR 48.A O no hydrogen 3.126 N/A GLN 51.A NE2 ASP 47.A O no hydrogen 3.531 N/A LEU 52.A N LEU 49.A O no hydrogen 3.162 N/A GLY 53.A N ASN 50.A O no hydrogen 2.951 N/A LYS 55.A N ILE 19.A O no hydrogen 2.834 N/A LYS 55.A NZ LYS 15.A O no hydrogen 2.729 N/A LYS 55.A NZ ALA 17.A O no hydrogen 3.308 N/A LEU 57.A N LYS 102.A O no hydrogen 2.877 N/A TRP 58.A N TYR 21.A O no hydrogen 2.902 N/A TRP 58.A NE1 ASP 106.A OD2 no hydrogen 3.039 N/A LEU 59.A N TYR 104.A O no hydrogen 3.015 N/A CYS 65.A SG HIS 63.A O no hydrogen 3.475 N/A CYS 65.A SG SER 67.A O no hydrogen 3.196 N/A MET 66.A N ASP 72.A O no hydrogen 3.192 N/A MET 66.A N ASP 72.A OD2 no hydrogen 3.037 N/A SER 67.A N ASP 72.A OD2 no hydrogen 2.904 N/A SER 67.A OG ASP 72.A OD1 no hydrogen 2.652 N/A GLY 70.A N SER 67.A O no hydrogen 3.145 N/A TYR 71.A N HIS 69.A ND1 no hydrogen 3.087 N/A TYR 71.A OH ASP 106.A OD2 no hydrogen 2.822 N/A TYR 71.A OH HIS 454.A NE2 no hydrogen 3.093 N/A THR 74.A N PRO 64.A O no hydrogen 2.867 N/A THR 74.A OG1 PRO 64.A O no hydrogen 3.074 N/A TYR 76.A OH VAL 108.A O no hydrogen 2.868 N/A THR 77.A N ASP 75.A OD1 no hydrogen 2.942 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.768 N/A VAL 79.A N GLU 86.A OE2 no hydrogen 2.832 N/A ASN 80.A N ILE 62.A O no hydrogen 2.732 N/A GLN 82.A N ASN 80.A OD1 no hydrogen 3.003 N/A LEU 83.A N ASN 80.A O no hydrogen 2.944 N/A GLY 84.A N PRO 81.A O no hydrogen 3.287 N/A THR 85.A N ASP 88.A OD2 no hydrogen 2.831 N/A ASP 88.A N THR 85.A OG1 no hydrogen 2.961 N/A PHE 89.A N THR 85.A O no hydrogen 3.309 N/A ASP 90.A N GLU 86.A O no hydrogen 3.303 N/A ARG 91.A N SER 87.A O no hydrogen 2.927 N/A ARG 91.A NH1 ASP 88.A OD1 no hydrogen 2.668 N/A LEU 92.A N ASP 88.A O no hydrogen 3.087 N/A LEU 92.A N PHE 89.A O no hydrogen 2.930 N/A VAL 93.A N PHE 89.A O no hydrogen 3.082 N/A THR 94.A N ASP 90.A O no hydrogen 3.189 N/A THR 94.A OG1 ASP 90.A O no hydrogen 3.086 N/A GLU 95.A N ARG 91.A O no hydrogen 3.010 N/A ALA 96.A N LEU 92.A O no hydrogen 2.807 N/A HIS 97.A N VAL 93.A O no hydrogen 2.915 N/A HIS 97.A NE2 ASP 340.A OD2 no hydrogen 2.842 N/A ASN 98.A N THR 94.A O no hydrogen 3.040 N/A ARG 99.A N ALA 96.A O no hydrogen 3.071 N/A ARG 99.A NE ASP 47.A OD1 no hydrogen 2.827 N/A ARG 99.A NH1 GLU 95.A O no hydrogen 2.906 N/A ARG 99.A NH1 GLU 95.A OE1 no hydrogen 2.885 N/A GLY 100.A N HIS 97.A O no hydrogen 2.946 N/A ILE 101.A N ALA 96.A O no hydrogen 2.860 N/A LYS 102.A N LYS 55.A O no hydrogen 2.949 N/A ILE 103.A N ASP 340.A OD2 no hydrogen 3.021 N/A TYR 104.A N LEU 57.A O no hydrogen 2.776 N/A LEU 105.A N GLY 341.A O no hydrogen 3.170 N/A TYR 107.A N ARG 343.A O no hydrogen 2.821 N/A TYR 107.A OH ILE 327.A O no hydrogen 2.650 N/A ASN 110.A ND2 ASP 309.A OD1 no hydrogen 3.418 N/A ASN 110.A ND2 ASP 309.A OD2 no hydrogen 3.237 N/A THR 112.A N ALA 308.A O no hydrogen 3.106 N/A THR 112.A OG1 GLY 113.A O no hydrogen 2.878 N/A THR 112.A OG1 TYR 134.A OH no hydrogen 2.921 N/A GLY 113.A N VAL 73.A O no hydrogen 3.001 N/A THR 114.A N TRP 306.A O no hydrogen 2.805 N/A THR 114.A OG1 ASP 305.A O no hydrogen 2.899 N/A HIS 116.A N GLY 113.A O no hydrogen 3.131 N/A PHE 119.A N HIS 116.A O no hydrogen 2.813 N/A THR 120.A N HIS 116.A O no hydrogen 3.090 N/A GLU 121.A N PRO 117.A O no hydrogen 3.006 N/A ALA 122.A N TRP 118.A O no hydrogen 2.827 N/A SER 123.A N PHE 119.A O no hydrogen 2.917 N/A SER 123.A OG PHE 119.A O no hydrogen 2.542 N/A SER 124.A N GLU 121.A O no hydrogen 2.967 N/A SER 124.A OG GLU 121.A O no hydrogen 2.481 N/A GLU 127.A N SER 125.A OG no hydrogen 2.941 N/A SER 128.A N SER 125.A O no hydrogen 2.949 N/A TYR 130.A N SER 128.A OG no hydrogen 3.115 N/A ARG 131.A N SER 128.A O no hydrogen 3.139 N/A ARG 131.A NH1 ALA 122.A O no hydrogen 2.835 N/A TYR 133.A N TYR 130.A O no hydrogen 2.862 N/A TYR 134.A OH THR 112.A OG1 no hydrogen 2.921 N/A SER 137.A N TYR 297.A O no hydrogen 2.848 N/A SER 137.A OG ASP 143.A OD2 no hydrogen 2.519 N/A ASP 139.A N SER 137.A OG no hydrogen 3.040 N/A THR 142.A OG1 ASP 139.A OD2 no hydrogen 2.572 N/A ASP 143.A N ASP 139.A O no hydrogen 2.862 N/A ILE 144.A N PRO 140.A O no hydrogen 2.843 N/A ALA 145.A N LYS 141.A O no hydrogen 3.153 N/A ALA 146.A N THR 142.A O no hydrogen 2.978 N/A ALA 146.A N ASP 143.A O no hydrogen 3.175 N/A GLY 147.A N ILE 144.A O no hydrogen 2.917 N/A LYS 148.A N ASP 143.A O no hydrogen 2.884 N/A ILE 152.A N ILE 149.A O no hydrogen 2.827 N/A THR 153.A OG1 GLN 154.A OE1 no hydrogen 3.135 N/A GLY 159.A N GLY 156.A O no hydrogen 2.935 N/A TYR 160.A N ALA 157.A O no hydrogen 3.020 N/A ALA 163.A N ASN 161.A OD1 no hydrogen 3.137 N/A GLU 164.A N ASN 161.A O no hydrogen 2.777 N/A TRP 165.A N ALA 162.A O no hydrogen 3.283 N/A PHE 166.A N PHE 298.A O no hydrogen 2.989 N/A GLN 167.A NE2 ASP 170.A OD1 no hydrogen 2.754 N/A VAL 168.A N THR 296.A O no hydrogen 2.870 N/A GLU 171.A N SER 169.A OG no hydrogen 3.036 N/A THR 172.A OG1 ALA 173.A O no hydrogen 3.293 N/A VAL 175.A N SER 242.A O no hydrogen 2.973 N/A GLY 177.A N PHE 240.A O no hydrogen 3.042 N/A LEU 179.A N VAL 238.A O no hydrogen 3.108 N/A LYS 180.A N SER 196.A O no hydrogen 2.695 N/A PHE 181.A N LEU 236.A O no hydrogen 2.726 N/A THR 182.A N VAL 194.A O no hydrogen 2.912 N/A LEU 183.A N TYR 234.A O no hydrogen 2.738 N/A ASP 184.A N ILE 192.A O no hydrogen 2.937 N/A TRP 185.A N ASN 232.A O no hydrogen 2.682 N/A SER 186.A N ASP 184.A OD2 no hydrogen 3.083 N/A SER 186.A OG ASP 184.A OD2 no hydrogen 2.737 N/A SER 190.A N ASN 187.A O no hydrogen 2.603 N/A ILE 192.A N ASP 184.A O no hydrogen 3.091 N/A LEU 193.A N PHE 277.A O no hydrogen 2.875 N/A VAL 194.A N THR 182.A O no hydrogen 3.057 N/A SER 196.A N LYS 180.A O no hydrogen 2.939 N/A GLY 198.A N LEU 178.A O no hydrogen 2.745 N/A ASP 202.A N THR 237.A O no hydrogen 2.824 N/A ASN 205.A ND2 PHE 226.A O no hydrogen 3.010 N/A ASP 207.A N ASN 205.A OD1 no hydrogen 3.168 N/A GLY 209.A N ASP 207.A OD1 no hydrogen 2.733 N/A ALA 213.A N THR 210.A O no hydrogen 3.364 N/A LYS 214.A NZ ASN 212.A O no hydrogen 3.079 N/A LYS 214.A NZ TYR 234.A OH no hydrogen 3.290 N/A TYR 215.A N ARG 249.A O no hydrogen 2.726 N/A LEU 216.A N LYS 224.A O no hydrogen 2.677 N/A TYR 217.A N LEU 247.A O no hydrogen 2.775 N/A TYR 217.A OH ASP 221.A OD1 no hydrogen 2.522 N/A TYR 218.A N ILE 222.A O no hydrogen 2.991 N/A GLY 219.A N SER 242.A OG no hydrogen 3.258 N/A ASP 221.A N GLY 219.A O no hydrogen 2.880 N/A ILE 222.A N TYR 218.A O no hydrogen 2.985 N/A LYS 224.A N LEU 216.A O no hydrogen 2.948 N/A LYS 224.A NZ ASP 204.A OD1 no hydrogen 3.071 N/A LYS 224.A NZ ASP 204.A OD2 no hydrogen 3.433 N/A LYS 225.A NZ ASP 207.A O no hydrogen 2.898 N/A LYS 225.A NZ GLY 209.A O no hydrogen 2.815 N/A PHE 226.A N LYS 214.A O no hydrogen 2.814 N/A TYR 227.A N GLU 235.A O no hydrogen 2.947 N/A TYR 227.A OH GLU 203.A O no hydrogen 2.633 N/A LYS 229.A N ILE 233.A O no hydrogen 2.807 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 2.678 N/A ILE 233.A N GLY 230.A O no hydrogen 3.253 N/A TYR 234.A N LEU 183.A O no hydrogen 2.739 N/A TYR 234.A OH ASN 212.A O no hydrogen 3.400 N/A GLU 235.A N TYR 227.A O no hydrogen 2.954 N/A LEU 236.A N PHE 181.A O no hydrogen 3.021 N/A THR 237.A N ASP 202.A OD2 no hydrogen 2.961 N/A VAL 238.A N LEU 179.A O no hydrogen 3.090 N/A PHE 240.A N GLY 177.A O no hydrogen 2.921 N/A SER 242.A N VAL 175.A O no hydrogen 3.047 N/A SER 242.A OG GLY 245.A O no hydrogen 2.620 N/A TRP 244.A NE1 GLY 219.A O no hydrogen 2.925 N/A GLY 245.A N SER 242.A OG no hydrogen 3.026 N/A LEU 246.A N ILE 288.A O no hydrogen 2.741 N/A LEU 247.A N TYR 217.A O no hydrogen 2.880 N/A ILE 248.A N TYR 262.A O no hydrogen 3.046 N/A ARG 249.A N TYR 215.A O no hydrogen 2.851 N/A ARG 249.A NH2 ALA 253.A O no hydrogen 2.834 N/A THR 250.A N THR 260.A O no hydrogen 3.235 N/A ALA 253.A N SER 251.A OG no hydrogen 3.406 N/A THR 260.A N PRO 257.A O no hydrogen 3.190 N/A THR 260.A OG1 PRO 257.A O no hydrogen 2.587 N/A LYS 261.A NZ ASN 284.A OD1 no hydrogen 2.785 N/A LYS 261.A NZ PRO 285.A O no hydrogen 3.568 N/A TYR 262.A N ILE 248.A O no hydrogen 2.856 N/A GLY 263.A N THR 280.A O no hydrogen 3.107 N/A ALA 264.A N ALA 286.A O no hydrogen 2.962 N/A SER 266.A OG SER 268.A OG no hydrogen 2.902 N/A SER 268.A N SER 266.A OG no hydrogen 3.191 N/A SER 268.A OG SER 266.A OG no hydrogen 2.902 N/A GLU 269.A N SER 266.A O no hydrogen 3.106 N/A LYS 270.A NZ GLN 293.A O no hydrogen 2.939 N/A LEU 271.A N MET 289.A O no hydrogen 2.709 N/A ASN 274.A N VAL 195.A O no hydrogen 2.811 N/A PHE 277.A N LEU 193.A O no hydrogen 2.739 N/A LEU 279.A N PRO 191.A O no hydrogen 2.989 N/A THR 280.A N GLY 263.A O no hydrogen 2.930 N/A ALA 282.A N THR 280.A OG1 no hydrogen 3.247 N/A ALA 286.A N ALA 264.A O no hydrogen 2.876 N/A ILE 288.A N LEU 246.A O no hydrogen 2.922 N/A PHE 290.A N GLN 293.A OE1 no hydrogen 2.944 N/A ASP 291.A N LEU 271.A O no hydrogen 2.719 N/A GLN 293.A N PHE 290.A O no hydrogen 2.837 N/A GLN 293.A NE2 ALA 173.A O no hydrogen 3.201 N/A TYR 297.A N SER 137.A O no hydrogen 2.704 N/A PHE 298.A N PHE 166.A O no hydrogen 2.731 N/A HIS 299.A N SER 135.A O no hydrogen 3.096 N/A HIS 299.A ND1 GLU 164.A O no hydrogen 3.047 N/A SER 300.A N GLU 164.A O no hydrogen 2.890 N/A SER 300.A OG THR 304.A O no hydrogen 2.704 N/A SER 300.A OG PHE 307.A O no hydrogen 3.206 N/A HIS 301.A N ASP 309.A OD1 no hydrogen 2.800 N/A CYS 303.A N SER 300.A O no hydrogen 2.982 N/A CYS 303.A SG ALA 163.A O no hydrogen 3.454 N/A CYS 303.A SG HIS 301.A O no hydrogen 3.568 N/A TRP 306.A N THR 304.A OG1 no hydrogen 3.175 N/A PHE 307.A N THR 304.A O no hydrogen 3.217 N/A ALA 308.A N THR 112.A O no hydrogen 2.970 N/A ASP 309.A N HIS 299.A O no hydrogen 2.965 N/A LEU 310.A N ASN 110.A O no hydrogen 2.859 N/A ASN 311.A N TYR 133.A O no hydrogen 2.737 N/A ASN 311.A ND2 ASN 132.A O no hydrogen 2.951 N/A TYR 312.A OH MET 109.A O no hydrogen 2.675 N/A GLY 313.A N ASN 311.A OD1 no hydrogen 3.081 N/A GLN 317.A N PRO 314.A O no hydrogen 2.845 N/A ALA 318.A N VAL 315.A O no hydrogen 3.093 N/A GLU 320.A N GLN 317.A O no hydrogen 2.999 N/A SER 321.A N ALA 318.A O no hydrogen 3.013 N/A SER 321.A OG ALA 318.A O no hydrogen 2.999 N/A TYR 324.A N SER 321.A OG no hydrogen 3.158 N/A TYR 324.A OH ASP 369.A OD2 no hydrogen 2.965 N/A GLN 325.A N SER 321.A O no hydrogen 3.236 N/A ALA 326.A N PRO 322.A O no hydrogen 3.057 N/A ILE 327.A N ALA 323.A O no hydrogen 2.988 N/A ALA 328.A N TYR 324.A O no hydrogen 2.661 N/A ASP 329.A N GLN 325.A O no hydrogen 2.875 N/A ALA 330.A N ALA 326.A O no hydrogen 3.099 N/A ALA 331.A N ILE 327.A O no hydrogen 3.197 N/A LYS 332.A N ALA 328.A O no hydrogen 3.121 N/A GLY 333.A N ASP 329.A O no hydrogen 3.140 N/A TRP 334.A N ALA 331.A O no hydrogen 3.132 N/A TRP 334.A NE1 TYR 76.A O no hydrogen 2.694 N/A ILE 335.A N ALA 331.A O no hydrogen 3.145 N/A ALA 336.A N LYS 332.A O no hydrogen 2.836 N/A ARG 337.A N TRP 334.A O no hydrogen 3.093 N/A ARG 337.A NH1 GLU 86.A O no hydrogen 3.389 N/A ARG 337.A NH1 GLU 86.A OE1 no hydrogen 3.372 N/A ARG 337.A NH1 ASP 90.A OD1 no hydrogen 3.244 N/A ARG 337.A NH1 ASP 90.A OD2 no hydrogen 3.315 N/A ARG 337.A NH2 GLU 86.A OE1 no hydrogen 2.603 N/A GLY 338.A N ILE 335.A O no hydrogen 2.961 N/A VAL 339.A N TRP 334.A O no hydrogen 3.089 N/A ASP 340.A N ILE 103.A O no hydrogen 2.917 N/A LEU 342.A N TYR 384.A O no hydrogen 2.836 N/A ARG 343.A N LEU 105.A O no hydrogen 2.881 N/A ARG 343.A NH1 ASP 106.A OD1 no hydrogen 2.944 N/A ARG 343.A NH1 ASP 345.A OD1 no hydrogen 3.292 N/A LEU 344.A N ILE 386.A O no hydrogen 2.800 N/A ASP 345.A N TYR 107.A O no hydrogen 3.240 N/A ALA 346.A N GLU 388.A OE1 no hydrogen 2.927 N/A LYS 348.A NZ GLU 354.A OE2 no hydrogen 3.451 N/A LYS 348.A NZ LEU 390.A O no hydrogen 2.969 N/A LYS 348.A NZ SER 391.A OG no hydrogen 2.631 N/A HIS 349.A N ALA 346.A O no hydrogen 2.967 N/A TYR 351.A OH GLY 313.A O no hydrogen 2.676 N/A HIS 352.A N MET 151.A O no hydrogen 2.885 N/A SER 356.A N SER 353.A OG no hydrogen 2.985 N/A SER 356.A OG GLU 358.A OE1 no hydrogen 2.764 N/A GLU 358.A N SER 356.A OG no hydrogen 2.971 N/A ARG 361.A N GLU 357.A O no hydrogen 3.113 N/A ARG 361.A NH1 ASP 316.A OD1 no hydrogen 2.708 N/A PHE 362.A N GLU 358.A O no hydrogen 2.864 N/A LEU 363.A N ASN 359.A O no hydrogen 2.882 N/A LYS 364.A N PRO 360.A O no hydrogen 3.055 N/A MET 365.A N ARG 361.A O no hydrogen 3.142 N/A PHE 366.A N PHE 362.A O no hydrogen 3.054 N/A TYR 367.A N LEU 363.A O no hydrogen 2.752 N/A TYR 367.A OH PHE 383.A O no hydrogen 2.671 N/A GLU 368.A N LYS 364.A O no hydrogen 3.019 N/A ASP 369.A N MET 365.A O no hydrogen 3.040 N/A MET 370.A N PHE 366.A O no hydrogen 3.006 N/A ASN 371.A N TYR 367.A O no hydrogen 2.817 N/A ALA 372.A N GLU 368.A O no hydrogen 3.106 N/A TYR 373.A N ASP 369.A O no hydrogen 3.321 N/A TYR 374.A N MET 370.A O no hydrogen 2.921 N/A TYR 374.A OH ASP 381.A OD2 no hydrogen 3.231 N/A LYS 375.A N ASN 371.A O no hydrogen 2.915 N/A LYS 375.A NZ ASP 381.A O no hydrogen 3.092 N/A LYS 375.A NZ ASP 382.A OD1 no hydrogen 2.961 N/A GLN 376.A N ALA 372.A O no hydrogen 2.933 N/A LYS 377.A N TYR 373.A O no hydrogen 3.166 N/A LYS 377.A N TYR 374.A O no hydrogen 3.181 N/A GLY 378.A N LYS 375.A O no hydrogen 3.131 N/A ASP 381.A N ASP 381.A OD1 no hydrogen 2.567 N/A TYR 384.A N ASP 340.A O no hydrogen 3.424 N/A TYR 384.A OH TYR 485.A OH no hydrogen 2.644 N/A ILE 386.A N LEU 342.A O no hydrogen 2.893 N/A GLY 387.A N ALA 405.A O no hydrogen 2.930 N/A GLU 388.A N LEU 344.A O no hydrogen 2.987 N/A TYR 393.A N SER 410.A OG no hydrogen 2.891 N/A LYS 395.A N GLU 392.A O no hydrogen 2.980 N/A VAL 396.A N GLU 392.A O no hydrogen 3.226 N/A ALA 397.A N TYR 393.A O no hydrogen 2.918 N/A TYR 399.A N VAL 396.A O no hydrogen 2.817 N/A TYR 399.A OH GLU 354.A O no hydrogen 2.700 N/A TYR 400.A N ALA 397.A O no hydrogen 2.983 N/A TYR 400.A OH ILE 446.A O no hydrogen 2.782 N/A LYS 401.A N PRO 398.A O no hydrogen 3.348 N/A LYS 401.A NZ TYR 441.A O no hydrogen 3.068 N/A GLY 402.A N TYR 399.A O no hydrogen 3.052 N/A LEU 403.A N TYR 399.A O no hydrogen 3.023 N/A LEU 406.A N ILE 446.A O no hydrogen 3.461 N/A PHE 407.A N GLY 387.A O no hydrogen 3.376 N/A GLU 408.A N ALA 448.A O no hydrogen 2.941 N/A SER 410.A OG GLU 392.A OE1 no hydrogen 2.546 N/A PHE 411.A N GLU 408.A O no hydrogen 3.094 N/A TYR 413.A N PHE 409.A O no hydrogen 3.159 N/A ARG 414.A N SER 410.A O no hydrogen 3.013 N/A ARG 414.A NH1 GLU 392.A OE1 no hydrogen 3.032 N/A ARG 414.A NH1 TYR 434.A OH no hydrogen 2.885 N/A ARG 414.A NH2 GLU 392.A OE2 no hydrogen 3.110 N/A LEU 415.A N PHE 411.A O no hydrogen 2.931 N/A GLU 416.A N TRP 412.A O no hydrogen 2.798 N/A TRP 417.A N TYR 413.A O no hydrogen 3.287 N/A GLY 418.A N ARG 414.A O no hydrogen 2.899 N/A ILE 419.A N LEU 415.A O no hydrogen 2.887 N/A ASN 420.A N GLU 416.A O no hydrogen 3.017 N/A ASN 420.A ND2 GLU 416.A OE2 no hydrogen 2.624 N/A ASN 420.A ND2 LYS 462.A O no hydrogen 2.767 N/A ASN 421.A N GLY 418.A O no hydrogen 3.292 N/A SER 422.A N ILE 419.A O no hydrogen 3.267 N/A THR 423.A N GLY 418.A O no hydrogen 2.851 N/A THR 423.A OG1 ASN 421.A O no hydrogen 2.770 N/A GLY 424.A N LYS 581.A O no hydrogen 2.733 N/A CYS 425.A N LYS 581.A O no hydrogen 3.080 N/A CYS 425.A SG LYS 581.A O no hydrogen 3.666 N/A PHE 427.A N GLY 424.A O no hydrogen 3.120 N/A ASP 430.A N TYR 426.A O no hydrogen 2.922 N/A ILE 431.A N PHE 427.A O no hydrogen 3.057 N/A LEU 432.A N ALA 428.A O no hydrogen 2.923 N/A SER 433.A N LYS 429.A O no hydrogen 3.106 N/A SER 433.A OG ASP 430.A O no hydrogen 2.651 N/A TYR 434.A N ASP 430.A O no hydrogen 3.063 N/A TYR 434.A N ILE 431.A O no hydrogen 3.175 N/A GLN 435.A N ILE 431.A O no hydrogen 3.018 N/A GLN 435.A NE2 GLU 447.A OE1 no hydrogen 2.848 N/A GLN 436.A N LEU 432.A O no hydrogen 3.029 N/A LYS 437.A N SER 433.A O no hydrogen 3.392 N/A LYS 437.A NZ ASP 394.A O no hydrogen 3.387 N/A LYS 437.A NZ TYR 441.A OH no hydrogen 3.554 N/A TYR 438.A N TYR 434.A O no hydrogen 3.048 N/A TYR 438.A OH GLU 408.A OE2 no hydrogen 2.691 N/A ALA 439.A N GLN 435.A O no hydrogen 2.957 N/A ASN 440.A N GLN 436.A O no hydrogen 3.311 N/A ASN 440.A N LYS 437.A O no hydrogen 3.271 N/A TYR 441.A N TYR 438.A O no hydrogen 2.926 N/A ARG 442.A N TYR 438.A O no hydrogen 2.944 N/A ARG 442.A NE TYR 400.A O no hydrogen 2.984 N/A ARG 442.A NH2 TYR 400.A O no hydrogen 3.034 N/A ASP 444.A N ASP 444.A OD1 no hydrogen 2.626 N/A ILE 446.A N PRO 404.A O no hydrogen 3.087 N/A ALA 448.A N LEU 406.A O no hydrogen 3.251 N/A LYS 450.A NZ LEU 451.A O no hydrogen 2.658 N/A LYS 450.A NZ GLU 456.A OE1 no hydrogen 3.001 N/A SER 452.A N THR 459.A OG1 no hydrogen 3.084 N/A SER 452.A OG THR 459.A OG1 no hydrogen 3.018 N/A ASN 453.A N GLU 456.A OE1 no hydrogen 3.003 N/A HIS 454.A NE2 TYR 71.A OH no hydrogen 3.093 N/A ASN 455.A N ASN 453.A OD1 no hydrogen 2.974 N/A GLU 456.A N ASN 453.A O no hydrogen 3.059 N/A ARG 458.A N GLY 496.A O no hydrogen 2.957 N/A ARG 458.A NE VAL 505.A O no hydrogen 3.224 N/A ARG 458.A NH1 TYR 488.A O no hydrogen 2.858 N/A ARG 458.A NH2 TYR 488.A O no hydrogen 3.133 N/A THR 459.A N SER 452.A OG no hydrogen 2.845 N/A THR 459.A OG1 SER 452.A OG no hydrogen 3.018 N/A LYS 462.A N ARG 458.A O no hydrogen 3.083 N/A LEU 463.A N THR 459.A O no hydrogen 3.052 N/A LEU 463.A N SER 460.A O no hydrogen 3.104 N/A GLY 464.A N SER 461.A O no hydrogen 3.083 N/A LYS 465.A N SER 460.A O no hydrogen 2.575 N/A SER 466.A N LEU 463.A O no hydrogen 3.387 N/A LYS 469.A N SER 466.A OG no hydrogen 3.231 N/A CYS 470.A N SER 466.A O no hydrogen 3.007 N/A CYS 470.A SG SER 466.A O no hydrogen 3.380 N/A LYS 471.A N ALA 467.A O no hydrogen 3.076 N/A LYS 471.A NZ HIS 542.A O no hydrogen 2.792 N/A LEU 472.A N ASP 468.A O no hydrogen 3.144 N/A ALA 473.A N LYS 469.A O no hydrogen 3.004 N/A ALA 474.A N CYS 470.A O no hydrogen 3.090 N/A ALA 475.A N LYS 471.A O no hydrogen 2.981 N/A VAL 476.A N LEU 472.A O no hydrogen 2.884 N/A LEU 477.A N ALA 473.A O no hydrogen 3.015 N/A LEU 478.A N ALA 474.A O no hydrogen 2.948 N/A THR 479.A OG1 ALA 475.A O no hydrogen 2.698 N/A THR 479.A OG1 HIS 599.A NE2 no hydrogen 2.995 N/A SER 480.A OG VAL 476.A O no hydrogen 2.751 N/A HIS 483.A N GLU 447.A O no hydrogen 2.839 N/A TYR 485.A N THR 449.A O no hydrogen 2.973 N/A TYR 485.A OH TYR 384.A OH no hydrogen 2.644 N/A ILE 486.A N SER 20.A O no hydrogen 2.721 N/A TYR 487.A N GLU 490.A OE1 no hydrogen 2.941 N/A TYR 487.A OH VAL 505.A O no hydrogen 2.838 N/A TYR 488.A N GLN 22.A O no hydrogen 2.846 N/A TYR 488.A OH SER 507.A O no hydrogen 2.620 N/A GLU 490.A N TYR 487.A O no hydrogen 2.995 N/A GLU 491.A N GLU 491.A OE2 no hydrogen 2.874 N/A LEU 492.A N GLY 489.A O no hydrogen 3.024 N/A GLY 493.A N GLY 489.A O no hydrogen 2.944 N/A LEU 494.A N GLY 489.A O no hydrogen 3.141 N/A TYR 495.A OH THR 526.A OG1 no hydrogen 2.776 N/A GLY 496.A N SER 461.A OG no hydrogen 2.675 N/A THR 497.A OG1 ASP 499.A OD2 no hydrogen 2.519 N/A LYS 498.A N ASP 457.A OD1 no hydrogen 2.903 N/A GLY 501.A N LYS 498.A O no hydrogen 2.913 N/A GLU 503.A N GLU 503.A OE1 no hydrogen 2.678 N/A TYR 504.A N GLY 501.A O no hydrogen 3.382 N/A VAL 505.A N ASP 502.A O no hydrogen 2.955 N/A ARG 506.A N GLU 503.A O no hydrogen 2.893 N/A ARG 506.A NE HIS 454.A O no hydrogen 2.792 N/A ARG 506.A NH2 HIS 454.A O no hydrogen 2.853 N/A MET 509.A N SER 27.A O no hydrogen 3.122 N/A TRP 511.A N THR 516.A OG1 no hydrogen 3.168 N/A TRP 511.A NE1 PHE 28.A O no hydrogen 2.769 N/A TYR 515.A N ASP 513.A OD1 no hydrogen 2.614 N/A TYR 515.A OH GLN 44.A OE1 no hydrogen 2.757 N/A THR 517.A OG1 SER 27.A O no hydrogen 3.149 N/A ASN 518.A N GLY 35.A O no hydrogen 2.670 N/A TYR 519.A OH ARG 506.A O no hydrogen 2.569 N/A LYS 522.A N THR 520.A OG1 no hydrogen 2.960 N/A LYS 522.A NZ ASN 500.A O no hydrogen 3.537 N/A THR 523.A N ASP 521.A O no hydrogen 2.821 N/A THR 523.A OG1 THR 520.A O no hydrogen 3.477 N/A THR 526.A N ASP 524.A OD1 no hydrogen 2.959 N/A THR 526.A OG1 TYR 495.A OH no hydrogen 2.776 N/A THR 526.A OG1 ASP 524.A OD1 no hydrogen 2.596 N/A VAL 527.A N ASP 524.A O no hydrogen 3.192 N/A LYS 529.A N THR 526.A O no hydrogen 3.081 N/A ASN 530.A N VAL 527.A O no hydrogen 3.060 N/A THR 533.A OG1 ASP 536.A OD2 no hydrogen 3.107 N/A VAL 534.A N LEU 510.A O no hydrogen 2.971 N/A ALA 535.A N TRP 511.A O no hydrogen 3.269 N/A ASP 536.A N THR 533.A OG1 no hydrogen 3.327 N/A GLN 537.A N THR 533.A O no hydrogen 2.832 N/A GLN 538.A N VAL 534.A O no hydrogen 2.893 N/A ASP 540.A N GLN 537.A O no hydrogen 2.956 N/A HIS 542.A N ASP 540.A OD1 no hydrogen 2.957 N/A SER 543.A N ASP 540.A O no hydrogen 2.938 N/A SER 543.A OG GLN 537.A O no hydrogen 2.839 N/A SER 543.A OG ASP 540.A O no hydrogen 3.003 N/A SER 543.A OG ASN 546.A OD1 no hydrogen 3.300 N/A ASN 546.A N SER 543.A OG no hydrogen 2.885 N/A ILE 547.A N SER 543.A O no hydrogen 3.246 N/A ILE 547.A N LEU 544.A O no hydrogen 2.973 N/A TYR 548.A N LEU 544.A O no hydrogen 3.058 N/A TYR 548.A OH GLU 490.A OE2 no hydrogen 2.545 N/A PHE 549.A N LEU 545.A O no hydrogen 2.973 N/A SER 550.A N ASN 546.A O no hydrogen 3.039 N/A LEU 551.A N ILE 547.A O no hydrogen 2.904 N/A THR 552.A N TYR 548.A O no hydrogen 2.886 N/A THR 552.A OG1 LEU 52.A O no hydrogen 3.047 N/A THR 552.A OG1 TYR 548.A O no hydrogen 2.980 N/A THR 552.A OG1 PHE 549.A O no hydrogen 3.186 N/A ARG 553.A N PHE 549.A O no hydrogen 3.187 N/A LEU 554.A N SER 550.A O no hydrogen 3.109 N/A ARG 555.A N LEU 551.A O no hydrogen 3.018 N/A ARG 555.A NH1 LEU 478.A O no hydrogen 2.771 N/A ARG 555.A NH1 SER 480.A O no hydrogen 2.730 N/A ARG 555.A NH2 SER 480.A O no hydrogen 2.864 N/A ARG 555.A NH2 GLY 482.A O no hydrogen 2.740 N/A ASN 556.A N THR 552.A O no hydrogen 2.936 N/A THR 557.A N LEU 554.A O no hydrogen 3.098 N/A THR 557.A OG1 ARG 553.A O no hydrogen 2.750 N/A TYR 558.A N LEU 554.A O no hydrogen 3.208 N/A ALA 560.A N GLU 593.A OE2 no hydrogen 2.983 N/A LEU 561.A N TYR 558.A O no hydrogen 2.908 N/A ALA 562.A N TYR 558.A O no hydrogen 2.959 N/A GLU 563.A N PRO 559.A O no hydrogen 2.810 N/A ASN 565.A N THR 589.A O no hydrogen 2.731 N/A THR 567.A N TYR 587.A O no hydrogen 3.072 N/A SER 570.A OG TYR 587.A OH no hydrogen 3.356 N/A TYR 572.A OH PRO 609.A O no hydrogen 2.881 N/A ASN 573.A N VAL 571.A O no hydrogen 3.033 N/A ASN 573.A ND2 HIS 569.A O no hydrogen 2.871 N/A ASN 573.A ND2 SER 570.A O no hydrogen 3.494 N/A GLU 574.A N GLU 574.A OE1 no hydrogen 2.735 N/A SER 575.A N ASN 573.A OD1 no hydrogen 2.813 N/A SER 575.A OG ASN 573.A OD1 no hydrogen 2.627 N/A GLN 576.A N ASN 573.A O no hydrogen 3.087 N/A GLU 577.A N GLU 574.A O no hydrogen 3.238 N/A TYR 580.A N GLN 576.A O no hydrogen 2.865 N/A LYS 581.A NZ GLU 577.A O no hydrogen 2.607 N/A ILE 583.A N TYR 580.A O no hydrogen 3.167 N/A ALA 584.A N HIS 599.A O no hydrogen 2.977 N/A TRP 586.A N VAL 597.A O no hydrogen 2.986 N/A TRP 586.A NE1 THR 479.A O no hydrogen 3.314 N/A TYR 587.A N THR 567.A O no hydrogen 2.822 N/A TYR 587.A OH SER 570.A OG no hydrogen 3.356 N/A TYR 587.A OH ASP 612.A OD1 no hydrogen 2.813 N/A MET 588.A N LEU 595.A O no hydrogen 3.082 N/A THR 589.A N ASN 565.A O no hydrogen 2.921 N/A LYS 590.A N GLU 593.A O no hydrogen 3.127 N/A LYS 590.A NZ ASP 591.A OD2 no hydrogen 2.628 N/A GLU 593.A N LYS 590.A O no hydrogen 2.889 N/A LYS 594.A NZ THR 589.A OG1 no hydrogen 3.366 N/A LEU 595.A N MET 588.A O no hydrogen 2.815 N/A LEU 596.A N PHE 645.A O no hydrogen 2.850 N/A VAL 597.A N TRP 586.A O no hydrogen 2.902 N/A ILE 598.A N VAL 643.A O no hydrogen 3.042 N/A HIS 599.A N ALA 584.A O no hydrogen 2.804 N/A HIS 599.A ND1 SER 642.A OG no hydrogen 2.456 N/A HIS 599.A NE2 THR 479.A OG1 no hydrogen 2.995 N/A ASN 600.A N ALA 641.A O no hydrogen 2.994 N/A ASN 600.A ND2 THR 604.A O no hydrogen 3.064 N/A ASN 600.A ND2 LEU 637.A O no hydrogen 3.073 N/A ASN 600.A ND2 GLY 638.A O no hydrogen 3.159 N/A PHE 601.A N PRO 582.A O no hydrogen 2.786 N/A GLY 602.A N ASN 600.A OD1 no hydrogen 2.951 N/A MET 606.A N LEU 637.A O no hydrogen 2.998 N/A LEU 608.A N LEU 635.A O no hydrogen 2.519 N/A LEU 610.A N TYR 633.A O no hydrogen 2.985 N/A ILE 614.A N ASP 612.A O no hydrogen 2.897 N/A GLU 615.A N LYS 646.A O no hydrogen 2.906 N/A LYS 616.A N LYS 646.A O no hydrogen 3.363 N/A LEU 618.A N VAL 644.A O no hydrogen 2.874 N/A ASN 621.A N SER 642.A O no hydrogen 2.996 N/A GLN 625.A N LYS 636.A O no hydrogen 3.027 N/A GLN 626.A N THR 2.A O no hydrogen 2.684 N/A ASN 627.A N THR 634.A O no hydrogen 3.057 N/A ASN 627.A ND2 ASP 629.A OD2 no hydrogen 3.228 N/A ASP 629.A N ASN 627.A OD1 no hydrogen 2.908 N/A TYR 633.A OH GLN 626.A OE1 no hydrogen 3.308 N/A THR 634.A N ASN 627.A O no hydrogen 3.052 N/A LEU 635.A N LEU 608.A O no hydrogen 2.770 N/A LYS 636.A N GLN 625.A O no hydrogen 2.719 N/A LEU 637.A N MET 606.A O no hydrogen 2.868 N/A GLY 638.A N GLU 623.A O no hydrogen 2.676 N/A TYR 640.A N GLY 602.A O no hydrogen 2.718 N/A ALA 641.A N GLY 638.A O no hydrogen 3.108 N/A SER 642.A N ASN 621.A O no hydrogen 2.978 N/A SER 642.A OG HIS 599.A ND1 no hydrogen 2.456 N/A VAL 643.A N ILE 598.A O no hydrogen 3.027 N/A VAL 644.A N PHE 619.A O no hydrogen 3.044 N/A PHE 645.A N LEU 596.A O no hydrogen 2.790 N/A LYS 646.A N LYS 616.A O no hydrogen 2.834 N/A LEU 647.A N LYS 594.A O no hydrogen 2.917 N/A GLY 648.A N LYS 613.A O no hydrogen 2.602 N/A