Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N MET 1.A O no hydrogen 3.209 N/A ARG 6.A N GLU 2.A O no hydrogen 2.925 N/A GLN 7.A N ASP 3.A O no hydrogen 2.890 N/A CYS 8.A N VAL 5.A O no hydrogen 3.400 N/A PHE 9.A N VAL 5.A O no hydrogen 3.060 N/A VAL 14.A N ASN 10.A O no hydrogen 2.825 N/A GLU 15.A N PRO 11.A O no hydrogen 2.914 N/A LEU 16.A N MET 12.A O no hydrogen 2.911 N/A ALA 17.A N ILE 13.A O no hydrogen 2.888 N/A GLU 18.A N VAL 14.A O no hydrogen 2.906 N/A LYS 19.A N GLU 15.A O no hydrogen 2.914 N/A ALA 20.A N LEU 16.A O no hydrogen 2.906 N/A MET 21.A N ALA 17.A O no hydrogen 2.894 N/A LYS 22.A N GLU 18.A O no hydrogen 2.878 N/A GLY 25.A N LYS 22.A O no hydrogen 3.016 N/A ASP 27.A N GLU 31.A OE1 no hydrogen 3.229 N/A THR 32.A OG1 ASN 33.A OD1 no hydrogen 3.425 N/A ASN 33.A ND2 SER 186.A OG no hydrogen 3.202 N/A LYS 34.A NZ GLU 26.A OE1 no hydrogen 2.874 N/A ALA 36.A N THR 32.A O no hydrogen 2.901 N/A SER 37.A N ASN 33.A O no hydrogen 2.922 N/A SER 37.A OG LYS 34.A O no hydrogen 3.064 N/A SER 37.A OG GLU 190.A OE1 no hydrogen 3.304 N/A ILE 38.A N LYS 34.A O no hydrogen 2.889 N/A CYS 39.A N PHE 35.A O no hydrogen 2.913 N/A THR 40.A N ALA 36.A O no hydrogen 2.897 N/A THR 40.A OG1 ALA 36.A O no hydrogen 3.233 N/A THR 40.A OG1 SER 37.A O no hydrogen 2.578 N/A HIS 41.A N SER 37.A O no hydrogen 2.914 N/A HIS 41.A NE2 ILE 112.A O no hydrogen 2.385 N/A LEU 42.A N ILE 38.A O no hydrogen 2.893 N/A GLU 43.A N CYS 39.A O no hydrogen 2.903 N/A VAL 44.A N THR 40.A O no hydrogen 2.910 N/A CYS 45.A N HIS 41.A O no hydrogen 2.901 N/A PHE 46.A N LEU 42.A O no hydrogen 2.886 N/A MET 47.A N GLU 43.A O no hydrogen 2.946 N/A TYR 48.A N VAL 44.A O no hydrogen 2.879 N/A TYR 48.A OH THR 154.A OG1 no hydrogen 3.200 N/A SER 49.A N CYS 45.A O no hydrogen 2.897 N/A SER 49.A OG PHE 68.A O no hydrogen 3.312 N/A ASP 50.A N PHE 46.A O no hydrogen 2.692 N/A PHE 51.A N ASP 50.A OD1 no hydrogen 2.655 N/A HIS 52.A NE2 ASP 156.A OD2 no hydrogen 3.031 N/A PHE 53.A N THR 61.A O no hydrogen 2.834 N/A ILE 54.A N LYS 65.A O no hydrogen 2.457 N/A ASP 55.A N GLU 59.A O no hydrogen 3.185 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.872 N/A ARG 57.A NH1 GLU 59.A OE1 no hydrogen 3.510 N/A GLY 58.A N ASP 55.A O no hydrogen 2.932 N/A GLY 58.A N ASP 55.A OD1 no hydrogen 2.642 N/A GLU 59.A N ASP 55.A OD1 no hydrogen 2.645 N/A THR 61.A N PHE 53.A O no hydrogen 2.694 N/A THR 61.A OG1 GLU 59.A O no hydrogen 3.337 N/A HIS 66.A ND1 LEU 64.A O no hydrogen 2.992 N/A ARG 67.A N HIS 52.A O no hydrogen 3.034 N/A ARG 67.A NE ASP 103.A OD1 no hydrogen 2.773 N/A GLU 69.A N TYR 102.A O no hydrogen 2.904 N/A ILE 71.A N ASP 100.A O no hydrogen 2.548 N/A GLU 72.A N ASP 100.A O no hydrogen 3.091 N/A ARG 76.A N GLU 23.A OE2 no hydrogen 3.130 N/A ALA 79.A N ASP 75.A O no hydrogen 2.741 N/A TRP 80.A N ARG 76.A O no hydrogen 2.903 N/A THR 81.A N THR 77.A O no hydrogen 2.889 N/A VAL 82.A N MET 78.A O no hydrogen 2.980 N/A VAL 83.A N ALA 79.A O no hydrogen 2.939 N/A ASN 84.A N TRP 80.A O no hydrogen 2.851 N/A ASN 84.A ND2 TRP 80.A O no hydrogen 2.390 N/A SER 85.A N THR 81.A O no hydrogen 2.897 N/A SER 85.A OG THR 81.A O no hydrogen 2.463 N/A ILE 86.A N VAL 82.A O no hydrogen 2.959 N/A CYS 87.A N VAL 83.A O no hydrogen 2.887 N/A CYS 87.A SG VAL 92.A O no hydrogen 3.476 N/A ASN 88.A N ASN 84.A O no hydrogen 2.875 N/A ASN 88.A ND2 ASN 84.A O no hydrogen 2.499 N/A THR 89.A N SER 85.A O no hydrogen 2.943 N/A THR 89.A OG1 SER 85.A O no hydrogen 3.356 N/A THR 90.A N ILE 86.A O no hydrogen 2.910 N/A THR 90.A OG1 ILE 86.A O no hydrogen 2.908 N/A THR 90.A OG1 TYR 102.A OH no hydrogen 3.026 N/A GLY 91.A N CYS 87.A O no hydrogen 3.012 N/A LYS 94.A NZ ASN 84.A OD1 no hydrogen 2.697 N/A ASP 100.A N ILE 110.A O no hydrogen 3.391 N/A LEU 101.A N ILE 110.A O no hydrogen 2.935 N/A TYR 102.A N GLU 69.A O no hydrogen 2.904 N/A ASP 103.A N ARG 108.A O no hydrogen 2.870 N/A TYR 104.A N ARG 67.A O no hydrogen 3.356 N/A LYS 105.A N ASP 103.A OD1 no hydrogen 2.735 N/A LYS 105.A NZ SER 60.A OG no hydrogen 3.241 N/A GLU 106.A N ASP 103.A OD1 no hydrogen 3.478 N/A GLU 106.A N ASP 103.A OD2 no hydrogen 3.354 N/A ARG 108.A N ASP 103.A O no hydrogen 2.962 N/A ILE 110.A N LEU 101.A O no hydrogen 2.864 N/A GLU 111.A N HIS 136.A O no hydrogen 2.699 N/A ILE 112.A N ASP 100.A OD2 no hydrogen 2.479 N/A GLY 113.A N HIS 138.A O no hydrogen 2.852 N/A THR 115.A N PHE 140.A O no hydrogen 2.905 N/A ARG 116.A NE PHE 183.A O no hydrogen 2.737 N/A TYR 123.A N VAL 119.A O no hydrogen 2.893 N/A TYR 123.A OH THR 149.A OG1 no hydrogen 3.227 N/A LEU 124.A N HIS 120.A O no hydrogen 2.903 N/A GLU 125.A N ILE 121.A O no hydrogen 2.919 N/A LYS 126.A N TYR 122.A O no hydrogen 2.903 N/A ALA 127.A N TYR 123.A O no hydrogen 2.888 N/A ASN 128.A N LEU 124.A O no hydrogen 2.923 N/A LYS 129.A N GLU 125.A O no hydrogen 2.900 N/A ILE 130.A N LYS 126.A O no hydrogen 2.913 N/A LYS 131.A N ALA 127.A O no hydrogen 2.861 N/A THR 135.A OG1 PHE 109.A O no hydrogen 2.859 N/A HIS 136.A N PHE 109.A O no hydrogen 2.919 N/A HIS 136.A NE2 ASP 152.A O no hydrogen 3.168 N/A ILE 137.A N THR 149.A OG1 no hydrogen 3.063 N/A HIS 138.A N GLU 111.A O no hydrogen 2.799 N/A ILE 139.A N MET 147.A O no hydrogen 3.008 N/A PHE 140.A N GLY 113.A O no hydrogen 2.609 N/A SER 141.A OG THR 143.A OG1 no hydrogen 2.998 N/A SER 141.A OG GLU 145.A O no hydrogen 2.818 N/A THR 143.A OG1 SER 141.A OG no hydrogen 2.998 N/A GLY 144.A N SER 141.A O no hydrogen 3.206 N/A GLU 145.A N SER 141.A OG no hydrogen 2.790 N/A MET 147.A N ILE 139.A O no hydrogen 3.210 N/A THR 149.A OG1 TYR 123.A OH no hydrogen 3.227 N/A THR 149.A OG1 ILE 137.A O no hydrogen 3.316 N/A ASP 152.A N THR 149.A O no hydrogen 3.104 N/A SER 159.A N ASP 156.A OD1 no hydrogen 2.506 N/A SER 159.A OG ASP 156.A OD1 no hydrogen 3.216 N/A SER 159.A OG ASP 156.A OD2 no hydrogen 3.368 N/A SER 159.A OG GLU 158.A OE2 no hydrogen 3.005 N/A ARG 160.A N ASP 156.A O no hydrogen 3.111 N/A ARG 160.A NE GLU 146.A OE2 no hydrogen 3.335 N/A ARG 160.A NH1 LEU 155.A O no hydrogen 2.813 N/A ALA 161.A N GLU 157.A O no hydrogen 2.895 N/A ARG 162.A N GLU 158.A O no hydrogen 2.887 N/A ILE 163.A N SER 159.A O no hydrogen 2.931 N/A LYS 164.A N ARG 160.A O no hydrogen 2.874 N/A LYS 164.A NZ GLU 146.A OE2 no hydrogen 2.477 N/A THR 165.A N ALA 161.A O no hydrogen 2.903 N/A ARG 166.A N ARG 162.A O no hydrogen 2.950 N/A LEU 167.A N ILE 163.A O no hydrogen 2.902 N/A PHE 168.A N LYS 164.A O no hydrogen 2.861 N/A THR 169.A N THR 165.A O no hydrogen 2.888 N/A THR 169.A OG1 THR 165.A O no hydrogen 3.324 N/A ILE 170.A N ARG 166.A O no hydrogen 2.940 N/A ARG 171.A N LEU 167.A O no hydrogen 2.869 N/A GLN 172.A N PHE 168.A O no hydrogen 2.878 N/A GLU 173.A N THR 169.A O no hydrogen 2.926 N/A MET 174.A N ILE 170.A O no hydrogen 2.891 N/A ALA 175.A N ARG 171.A O no hydrogen 2.895 N/A SER 176.A N GLN 172.A O no hydrogen 2.898 N/A SER 176.A OG GLN 172.A O no hydrogen 3.346 N/A SER 176.A OG GLU 173.A O no hydrogen 2.654 N/A ARG 177.A N GLU 173.A O no hydrogen 3.339 N/A GLY 178.A N ALA 175.A O no hydrogen 3.002 N/A LEU 179.A N MET 174.A O no hydrogen 3.412 N/A SER 182.A OG LEU 179.A O no hydrogen 3.008 N/A PHE 183.A N LEU 179.A O no hydrogen 3.225 N/A ARG 184.A N TRP 180.A O no hydrogen 2.870 N/A GLN 185.A N ASP 181.A O no hydrogen 2.908 N/A SER 186.A N SER 182.A O no hydrogen 2.903 N/A THR 192.A N GLY 189.A O no hydrogen 3.251 N/A THR 192.A OG1 GLY 189.A O no hydrogen 2.551 N/A ARG 204.A NE ILE 199.A O no hydrogen 3.192 N/A ARG 204.A NH2 ILE 199.A O no hydrogen 3.264 N/A ARG 205.A N GLY 201.A O no hydrogen 3.343 N/A LEU 206.A N THR 202.A O no hydrogen 2.921 N/A ALA 207.A N MET 203.A O no hydrogen 2.882 N/A ASP 208.A N ARG 204.A O no hydrogen 2.927 N/A GLN 209.A N ARG 205.A O no hydrogen 3.097 N/A GLN 209.A N LEU 206.A O no hydrogen 3.065 N/A GLN 209.A NE2 ARG 205.A O no hydrogen 2.582 N/A SER 210.A N ALA 207.A O no hydrogen 3.094 N/A SER 210.A OG LEU 206.A O no hydrogen 2.719 N/A PHE 215.A N PRO 212.A O no hydrogen 3.266 N/A LEU 218.A N ASP 208.A OD1 no hydrogen 3.167 N/A GLU 219.A N SER 217.A OG no hydrogen 3.242 N/A PHE 221.A N SER 217.A O no hydrogen 3.269 N/A ARG 222.A N LEU 218.A O no hydrogen 2.880 N/A ALA 223.A N GLU 219.A O no hydrogen 2.891 N/A TYR 224.A N ASN 220.A O no hydrogen 2.916 N/A VAL 225.A N PHE 221.A O no hydrogen 2.920 N/A ASP 226.A N ARG 222.A O no hydrogen 2.889 N/A GLY 227.A N ALA 223.A O no hydrogen 3.163 N/A PHE 228.A N VAL 225.A O no hydrogen 3.036 N/A ASN 231.A ND2 GLU 229.A O no hydrogen 3.400 N/A CYS 233.A SG ASN 231.A O no hydrogen 3.664 N/A GLY 236.A N GLY 232.A O no hydrogen 2.996 N/A LYS 237.A N CYS 233.A O no hydrogen 2.924 N/A LEU 238.A N ILE 234.A O no hydrogen 2.889 N/A SER 239.A N GLU 235.A O no hydrogen 2.909 N/A SER 239.A OG GLY 236.A O no hydrogen 2.896 N/A GLN 240.A N GLY 236.A O no hydrogen 2.914 N/A MET 241.A N LYS 237.A O no hydrogen 2.864 N/A MET 241.A N LEU 238.A O no hydrogen 3.055 N/A VAL 245.A N SER 242.A O no hydrogen 3.239 N/A ASN 246.A ND2 LYS 243.A O no hydrogen 2.619 N/A GLU 250.A N THR 672.A O no hydrogen 3.134 N/A PHE 252.A N PRO 670.A O no hydrogen 3.263 N/A LEU 253.A N THR 256.A OG1 no hydrogen 2.957 N/A THR 256.A N LEU 253.A O no hydrogen 3.126 N/A THR 256.A OG1 PRO 251.A O no hydrogen 3.548 N/A THR 256.A OG1 LEU 253.A O no hydrogen 3.321 N/A ARG 258.A N TYR 679.A OH no hydrogen 3.093 N/A ARG 258.A NH1 PRO 259.A O no hydrogen 3.369 N/A ARG 258.A NH1 GLU 683.A OE2 no hydrogen 2.832 N/A ARG 258.A NH2 GLU 676.A OE2 no hydrogen 2.586 N/A LEU 260.A N ASN 700.A OD1 no hydrogen 2.515 N/A ARG 261.A N GLU 683.A OE2 no hydrogen 2.948 N/A CYS 268.A N SER 394.A O no hydrogen 2.939 N/A CYS 268.A SG SER 394.A O no hydrogen 3.476 N/A SER 269.A OG GLU 530.A OE1 no hydrogen 3.435 N/A GLN 270.A N LYS 528.A O no hydrogen 3.118 N/A GLN 270.A NE2 GLU 402.A OE2 no hydrogen 2.963 N/A ARG 271.A NH1 ASP 689.A OD1 no hydrogen 2.837 N/A ARG 271.A NH2 ALA 643.A O no hydrogen 3.345 N/A SER 272.A OG PHE 274.A O no hydrogen 3.362 N/A LYS 273.A NZ ASN 560.A OD1 no hydrogen 3.294 N/A LYS 273.A NZ GLY 561.A O no hydrogen 2.940 N/A LEU 275.A N GLU 516.A OE1 no hydrogen 2.392 N/A LEU 280.A N PHE 517.A O no hydrogen 2.765 N/A LYS 281.A NZ GLU 449.A OE1 no hydrogen 3.207 N/A LYS 281.A NZ GLU 449.A OE2 no hydrogen 2.542 N/A LEU 282.A N LEU 492.A O no hydrogen 2.918 N/A ILE 284.A N THR 490.A O no hydrogen 2.904 N/A ASP 286.A N ARG 488.A O no hydrogen 2.685 N/A SER 288.A OG ASP 286.A O no hydrogen 3.201 N/A GLY 291.A N GLU 290.A OE1 no hydrogen 2.578 N/A TYR 297.A OH ILE 346.A O no hydrogen 2.461 N/A ASP 298.A N ILE 294.A O no hydrogen 3.258 N/A ALA 299.A N PRO 295.A O no hydrogen 2.900 N/A ILE 300.A N LEU 296.A O no hydrogen 2.893 N/A LYS 301.A N TYR 297.A O no hydrogen 2.930 N/A CYS 302.A N ASP 298.A O no hydrogen 2.881 N/A CYS 302.A SG LEU 282.A O no hydrogen 3.415 N/A CYS 302.A SG ASP 298.A O no hydrogen 3.135 N/A CYS 302.A SG THR 490.A O no hydrogen 3.598 N/A MET 303.A N ALA 299.A O no hydrogen 2.911 N/A LYS 304.A N ILE 300.A O no hydrogen 2.902 N/A THR 305.A N LYS 301.A O no hydrogen 3.246 N/A PHE 306.A N MET 303.A O no hydrogen 3.473 N/A LYS 310.A N ILE 537.A O no hydrogen 3.211 N/A LYS 310.A NZ GLU 536.A OE2 no hydrogen 3.458 N/A LYS 310.A NZ ASP 539.A OD1 no hydrogen 3.213 N/A ILE 315.A N VAL 534.A O no hydrogen 3.349 N/A LYS 316.A N VAL 534.A O no hydrogen 3.351 N/A LYS 316.A NZ TRP 529.A O no hydrogen 2.354 N/A HIS 318.A N ASN 323.A OD1 no hydrogen 2.441 N/A GLY 321.A N HIS 318.A O no hydrogen 3.102 N/A ASN 325.A N ILE 322.A O no hydrogen 2.967 N/A LEU 327.A N ASN 323.A O no hydrogen 2.978 N/A LEU 328.A N PRO 324.A O no hydrogen 2.875 N/A THR 329.A N ASN 325.A O no hydrogen 2.872 N/A THR 329.A OG1 ASN 325.A O no hydrogen 2.681 N/A TRP 330.A N TYR 326.A O no hydrogen 2.983 N/A LYS 331.A N LEU 327.A O no hydrogen 2.950 N/A GLN 332.A N LEU 328.A O no hydrogen 2.822 N/A GLN 332.A NE2 LYS 353.A O no hydrogen 2.877 N/A VAL 333.A N THR 329.A O no hydrogen 2.912 N/A LEU 334.A N TRP 330.A O no hydrogen 2.978 N/A ALA 335.A N LYS 331.A O no hydrogen 2.893 N/A GLU 336.A N GLN 332.A O no hydrogen 2.851 N/A LEU 337.A N VAL 333.A O no hydrogen 2.913 N/A GLN 338.A N LEU 334.A O no hydrogen 2.944 N/A ASP 339.A N ALA 335.A O no hydrogen 2.886 N/A ILE 340.A N GLU 336.A O no hydrogen 2.912 N/A LYS 341.A N LEU 337.A O no hydrogen 2.893 N/A ASN 342.A N GLN 338.A O no hydrogen 2.921 N/A GLU 343.A N ASP 339.A O no hydrogen 3.409 N/A ILE 346.A N GLU 344.A O no hydrogen 3.062 N/A LYS 350.A NZ GLU 336.A OE1 no hydrogen 2.130 N/A LYS 350.A NZ ASN 351.A O no hydrogen 3.244 N/A MET 352.A N PHE 472.A O no hydrogen 2.505 N/A LYS 353.A N GLU 336.A OE2 no hydrogen 3.215 N/A LYS 354.A NZ ASP 470.A O no hydrogen 2.739 N/A THR 355.A N LYS 353.A O no hydrogen 2.673 N/A THR 355.A OG1 GLN 332.A OE1 no hydrogen 2.406 N/A GLN 357.A N GLN 357.A OE1 no hydrogen 2.921 N/A GLN 357.A NE2 LEU 328.A O no hydrogen 3.462 N/A GLN 357.A NE2 GLN 332.A OE1 no hydrogen 2.754 N/A LYS 359.A N THR 355.A O no hydrogen 2.746 N/A TRP 360.A N SER 356.A O no hydrogen 2.931 N/A ALA 361.A N GLN 357.A O no hydrogen 2.895 N/A LEU 362.A N LEU 358.A O no hydrogen 2.993 N/A GLY 363.A N TRP 360.A O no hydrogen 3.164 N/A GLU 364.A N LYS 359.A O no hydrogen 3.024 N/A ASP 375.A N ASP 372.A O no hydrogen 2.998 N/A CYS 376.A N PHE 373.A O no hydrogen 2.985 N/A CYS 376.A SG VAL 371.A O no hydrogen 3.655 N/A CYS 376.A SG ASP 372.A O no hydrogen 3.354 N/A ARG 393.A N ILE 687.A O no hydrogen 2.818 N/A ARG 393.A NE GLU 391.A OE1 no hydrogen 3.343 N/A ARG 393.A NH2 GLU 530.A OE1 no hydrogen 2.965 N/A SER 394.A N PRO 266.A O no hydrogen 2.986 N/A SER 394.A OG LEU 395.A O no hydrogen 3.184 N/A CYS 397.A SG GLU 525.A OE2 no hydrogen 3.522 N/A TRP 398.A NE1 CYS 268.A O no hydrogen 2.636 N/A GLN 400.A NE2 GLN 400.A O no hydrogen 3.109 N/A GLN 400.A NE2 ASN 404.A OD1 no hydrogen 2.934 N/A SER 401.A OG CYS 397.A O no hydrogen 3.550 N/A GLU 402.A N TRP 398.A O no hydrogen 2.887 N/A PHE 403.A N ILE 399.A O no hydrogen 2.913 N/A ASN 404.A N GLN 400.A O no hydrogen 2.896 N/A LYS 405.A N SER 401.A O no hydrogen 2.892 N/A ALA 406.A N GLU 402.A O no hydrogen 2.913 N/A CYS 407.A N PHE 403.A O no hydrogen 3.191 N/A CYS 407.A N ASN 404.A O no hydrogen 3.246 N/A CYS 407.A SG PHE 403.A O no hydrogen 3.405 N/A GLU 408.A N LYS 405.A O no hydrogen 3.011 N/A THR 410.A N HIS 444.A O no hydrogen 2.569 N/A SER 413.A N ILE 482.A O no hydrogen 2.636 N/A SER 413.A OG SER 443.A OG no hydrogen 2.888 N/A TRP 414.A N SER 443.A O no hydrogen 3.006 N/A VAL 415.A N SER 443.A OG no hydrogen 3.201 N/A HIS 429.A N ALA 425.A O no hydrogen 3.132 N/A ILE 430.A N PRO 426.A O no hydrogen 2.953 N/A ALA 431.A N ILE 427.A O no hydrogen 2.870 N/A SER 432.A N GLU 428.A O no hydrogen 2.857 N/A SER 432.A OG ASP 423.A OD2 no hydrogen 2.728 N/A SER 432.A OG GLU 428.A O no hydrogen 3.565 N/A MET 433.A N HIS 429.A O no hydrogen 2.960 N/A ARG 434.A N ILE 430.A O no hydrogen 2.969 N/A ARG 435.A N ALA 431.A O no hydrogen 2.825 N/A ARG 435.A NH2 SER 432.A OG no hydrogen 3.063 N/A ASN 436.A N SER 432.A O no hydrogen 2.874 N/A TYR 437.A N MET 433.A O no hydrogen 3.007 N/A TYR 437.A OH GLU 605.A OE1 no hydrogen 2.936 N/A PHE 438.A N ARG 434.A O no hydrogen 2.919 N/A THR 439.A N ARG 435.A O no hydrogen 2.824 N/A THR 439.A OG1 ARG 435.A O no hydrogen 2.666 N/A ALA 440.A N ASN 436.A O no hydrogen 2.933 N/A GLU 441.A N TYR 437.A O no hydrogen 2.960 N/A VAL 442.A N THR 439.A O no hydrogen 3.258 N/A SER 443.A N THR 439.A O no hydrogen 2.733 N/A SER 443.A OG SER 413.A OG no hydrogen 2.888 N/A SER 443.A OG VAL 415.A O no hydrogen 2.694 N/A CYS 445.A N VAL 442.A O no hydrogen 3.311 N/A CYS 445.A SG ALA 406.A O no hydrogen 3.492 N/A CYS 445.A SG GLU 408.A O no hydrogen 3.942 N/A ARG 446.A N GLU 408.A O no hydrogen 3.372 N/A ARG 446.A NE GLU 408.A OE2 no hydrogen 2.763 N/A ARG 446.A NH1 GLU 449.A OE1 no hydrogen 2.863 N/A ARG 446.A NH2 GLU 408.A OE2 no hydrogen 2.641 N/A THR 448.A N CYS 445.A O no hydrogen 2.731 N/A THR 448.A OG1 VAL 442.A O no hydrogen 2.522 N/A THR 448.A OG1 CYS 445.A O no hydrogen 3.224 N/A GLU 449.A N CYS 445.A O no hydrogen 3.405 N/A TYR 450.A N ARG 446.A O no hydrogen 2.947 N/A TYR 450.A OH LEU 276.A O no hydrogen 2.824 N/A ILE 451.A N ALA 447.A O no hydrogen 2.866 N/A MET 452.A N THR 448.A O no hydrogen 2.918 N/A LYS 453.A N GLU 449.A O no hydrogen 2.904 N/A LYS 453.A NZ LEU 275.A O no hydrogen 2.634 N/A GLY 454.A N TYR 450.A O no hydrogen 2.885 N/A VAL 455.A N ILE 451.A O no hydrogen 2.899 N/A TYR 456.A N MET 452.A O no hydrogen 2.925 N/A ILE 457.A N LYS 453.A O no hydrogen 2.924 N/A ASN 458.A N GLY 454.A O no hydrogen 2.893 N/A ASN 458.A ND2 GLY 454.A O no hydrogen 2.378 N/A THR 459.A N VAL 455.A O no hydrogen 2.910 N/A THR 459.A OG1 VAL 455.A O no hydrogen 2.628 N/A ALA 460.A N TYR 456.A O no hydrogen 2.916 N/A LEU 461.A N ILE 457.A O no hydrogen 2.890 N/A LEU 462.A N ASN 458.A O no hydrogen 2.884 N/A ASN 463.A N THR 459.A O no hydrogen 2.947 N/A ALA 464.A N ALA 460.A O no hydrogen 2.909 N/A SER 465.A N LEU 461.A O no hydrogen 2.860 N/A SER 465.A OG LEU 461.A O no hydrogen 2.530 N/A SER 465.A OG LEU 462.A O no hydrogen 2.720 N/A CYS 466.A N LEU 462.A O no hydrogen 2.950 N/A CYS 466.A SG LEU 462.A O no hydrogen 3.460 N/A ALA 467.A N ASN 463.A O no hydrogen 2.900 N/A ALA 468.A N ALA 464.A O no hydrogen 2.744 N/A GLN 473.A N LYS 498.A O no hydrogen 2.942 N/A LEU 474.A N LYS 350.A O no hydrogen 3.155 N/A ILE 475.A N ILE 496.A O no hydrogen 2.885 N/A MET 477.A N GLY 494.A O no hydrogen 3.389 N/A SER 479.A N ASN 491.A O no hydrogen 2.914 N/A CYS 481.A N LYS 489.A O no hydrogen 2.926 N/A CYS 481.A SG LYS 489.A O no hydrogen 4.015 N/A ILE 482.A N SER 413.A O no hydrogen 2.994 N/A THR 483.A N ARG 487.A O no hydrogen 3.514 N/A LYS 484.A NZ ASP 411.A OD1 no hydrogen 3.083 N/A GLY 486.A N THR 483.A O no hydrogen 2.960 N/A LYS 489.A N CYS 481.A O no hydrogen 2.891 N/A THR 490.A N ILE 284.A O no hydrogen 2.941 N/A ASN 491.A N SER 479.A O no hydrogen 2.867 N/A LEU 492.A N LEU 282.A O no hydrogen 2.884 N/A TYR 493.A N MET 477.A O no hydrogen 2.948 N/A TYR 493.A OH GLU 449.A OE2 no hydrogen 3.186 N/A PHE 495.A N MET 515.A O no hydrogen 2.900 N/A ILE 496.A N ILE 475.A O no hydrogen 2.875 N/A ILE 497.A N VAL 513.A O no hydrogen 2.885 N/A LYS 498.A N GLN 473.A O no hydrogen 2.865 N/A LYS 498.A NZ ALA 468.A O no hydrogen 3.040 N/A LYS 498.A NZ ASP 471.A O no hydrogen 3.452 N/A LYS 498.A NZ GLY 499.A O no hydrogen 2.417 N/A GLY 499.A N ASN 511.A O no hydrogen 2.993 N/A SER 501.A N MET 469.A O no hydrogen 3.282 N/A SER 501.A OG SER 465.A O no hydrogen 2.334 N/A SER 501.A OG SER 501.A O no hydrogen 2.302 N/A HIS 502.A NE2 ASP 470.A OD1 no hydrogen 2.467 N/A LEU 503.A N SER 501.A O no hydrogen 2.946 N/A ARG 504.A N ASP 508.A OD2 no hydrogen 3.533 N/A ASP 508.A N ASN 505.A O no hydrogen 3.322 N/A VAL 510.A N THR 562.A O no hydrogen 2.776 N/A ASN 511.A ND2 LEU 362.A O no hydrogen 3.222 N/A PHE 512.A N ASN 560.A O no hydrogen 2.919 N/A VAL 513.A N ILE 497.A O no hydrogen 2.907 N/A SER 514.A N ARG 558.A O no hydrogen 2.878 N/A MET 515.A N PHE 495.A O no hydrogen 2.925 N/A GLU 516.A N TYR 556.A O no hydrogen 2.912 N/A PHE 517.A N TYR 493.A O no hydrogen 2.973 N/A SER 518.A N PHE 554.A O no hydrogen 2.914 N/A SER 518.A OG ASP 278.A O no hydrogen 2.415 N/A THR 520.A N SER 518.A OG no hydrogen 2.985 N/A THR 520.A OG1 ASP 278.A OD1 no hydrogen 3.078 N/A ARG 523.A N ASP 521.A OD1 no hydrogen 3.122 N/A ARG 523.A NE ASP 521.A OD1 no hydrogen 2.840 N/A ARG 523.A NH2 ASP 521.A OD1 no hydrogen 3.258 N/A ARG 523.A NH2 ASP 521.A OD2 no hydrogen 3.240 N/A LEU 524.A N ASP 521.A O no hydrogen 3.273 N/A LYS 528.A N GLU 525.A O no hydrogen 3.013 N/A LYS 528.A NZ ASP 278.A OD2 no hydrogen 3.020 N/A LYS 528.A NZ GLU 402.A OE2 no hydrogen 3.108 N/A TRP 529.A N PRO 526.A O no hydrogen 2.907 N/A TYR 532.A N TRP 529.A O no hydrogen 3.395 N/A CYS 533.A N VAL 557.A O no hydrogen 2.748 N/A CYS 533.A SG ASN 323.A OD1 no hydrogen 3.659 N/A VAL 534.A N LYS 316.A O no hydrogen 3.093 N/A LEU 535.A N LEU 555.A O no hydrogen 3.012 N/A GLU 536.A N ASN 313.A O no hydrogen 3.444 N/A ILE 537.A N MET 553.A O no hydrogen 2.942 N/A GLY 538.A N MET 553.A O no hydrogen 2.970 N/A MET 540.A N ARG 551.A O.A no hydrogen 2.885 N/A MET 540.A N ARG 551.A O.B no hydrogen 2.884 N/A LEU 542.A N VAL 549.A O no hydrogen 2.856 N/A THR 544.A OG1 GLY 547.A O no hydrogen 2.174 N/A GLY 547.A N THR 544.A OG1 no hydrogen 3.211 N/A VAL 549.A N LEU 542.A O no hydrogen 2.940 N/A ARG 551.A N.A MET 540.A O no hydrogen 2.918 N/A ARG 551.A N.B MET 540.A O no hydrogen 2.917 N/A MET 553.A N GLY 538.A O no hydrogen 2.863 N/A PHE 554.A N SER 518.A O no hydrogen 2.900 N/A LEU 555.A N LEU 535.A O no hydrogen 2.638 N/A TYR 556.A N GLU 516.A O no hydrogen 2.887 N/A TYR 556.A OH THR 520.A O no hydrogen 2.470 N/A ARG 558.A N SER 514.A O no hydrogen 2.940 N/A ARG 558.A NE THR 559.A O no hydrogen 3.311 N/A ARG 558.A NH2 THR 559.A O no hydrogen 3.323 N/A THR 559.A OG1 ALA 361.A O no hydrogen 3.089 N/A ASN 560.A N PHE 512.A O no hydrogen 2.880 N/A GLY 561.A N ASN 560.A OD1 no hydrogen 2.761 N/A THR 562.A N VAL 510.A O no hydrogen 3.273 N/A SER 563.A OG ASP 506.A O no hydrogen 2.674 N/A SER 563.A OG ASP 508.A O no hydrogen 2.401 N/A LYS 564.A NZ ASP 506.A OD1 no hydrogen 2.781 N/A ILE 565.A N ASP 506.A O no hydrogen 3.486 N/A MET 567.A N SER 563.A O no hydrogen 2.838 N/A LYS 568.A N LYS 564.A O no hydrogen 2.858 N/A TRP 569.A N ILE 565.A O no hydrogen 2.922 N/A GLY 570.A N LYS 566.A O no hydrogen 2.875 N/A MET 571.A N MET 567.A O no hydrogen 2.924 N/A GLU 572.A N LYS 568.A O no hydrogen 3.224 N/A CYS 576.A N MET 573.A O no hydrogen 3.167 N/A CYS 576.A SG MET 573.A O no hydrogen 3.162 N/A CYS 576.A SG SER 636.A O no hydrogen 3.618 N/A LEU 577.A N ARG 574.A O no hydrogen 2.926 N/A GLN 579.A N ARG 575.A O no hydrogen 3.206 N/A SER 580.A N CYS 576.A O no hydrogen 3.230 N/A SER 580.A N LEU 577.A O no hydrogen 2.950 N/A SER 580.A OG LEU 577.A O no hydrogen 2.719 N/A LEU 581.A N LEU 577.A O no hydrogen 2.821 N/A GLN 582.A N LEU 578.A O no hydrogen 2.809 N/A ILE 584.A N SER 580.A O no hydrogen 2.827 N/A GLU 585.A N LEU 581.A O no hydrogen 2.655 N/A SER 586.A N GLN 582.A O no hydrogen 2.784 N/A SER 586.A OG GLN 583.A O no hydrogen 2.757 N/A MET 587.A N GLN 583.A O no hydrogen 2.893 N/A ILE 588.A N ILE 584.A O no hydrogen 2.993 N/A GLU 589.A N GLU 585.A O no hydrogen 2.762 N/A ALA 590.A N SER 586.A O no hydrogen 2.501 N/A GLU 591.A N MET 587.A O no hydrogen 2.986 N/A GLU 591.A N ILE 588.A O no hydrogen 2.953 N/A SER 592.A N ILE 588.A O no hydrogen 2.721 N/A SER 592.A OG ILE 588.A O no hydrogen 3.413 N/A SER 592.A OG LYS 597.A O no hydrogen 2.805 N/A SER 592.A OG ASP 598.A OD1 no hydrogen 3.529 N/A SER 593.A N GLU 589.A O no hydrogen 3.113 N/A VAL 594.A N GLU 591.A O no hydrogen 2.918 N/A LYS 595.A N GLU 591.A O no hydrogen 3.182 N/A LYS 597.A N SER 592.A O no hydrogen 3.313 N/A LEU 599.A N SER 592.A OG no hydrogen 2.997 N/A THR 600.A OG1 ASP 598.A OD2 no hydrogen 2.996 N/A PHE 603.A N LEU 599.A O no hydrogen 2.752 N/A PHE 604.A N THR 600.A O no hydrogen 2.914 N/A GLU 605.A N LYS 601.A O no hydrogen 2.807 N/A ASN 606.A ND2 GLU 602.A OE2 no hydrogen 2.420 N/A LYS 607.A N GLU 602.A O no hydrogen 3.288 N/A SER 608.A OG GLU 602.A OE2 no hydrogen 3.535 N/A THR 610.A OG1 GLU 622.A OE1 no hydrogen 3.054 N/A TRP 611.A N GLY 623.A O no hydrogen 2.905 N/A ILE 613.A N GLU 621.A O no hydrogen 2.929 N/A GLY 614.A N GLU 621.A O no hydrogen 3.135 N/A SER 616.A N GLY 619.A O no hydrogen 2.923 N/A SER 616.A OG GLU 621.A OE1 no hydrogen 2.520 N/A GLU 621.A N GLY 614.A O no hydrogen 2.490 N/A GLY 623.A N TRP 611.A O no hydrogen 2.881 N/A VAL 628.A N SER 624.A O no hydrogen 3.011 N/A CYS 629.A N ILE 625.A O no hydrogen 2.881 N/A ARG 630.A N GLY 626.A O no hydrogen 2.942 N/A ARG 630.A NE GLU 441.A OE2 no hydrogen 3.333 N/A ARG 630.A NH1 CYS 407.A O no hydrogen 3.041 N/A THR 631.A N LYS 627.A O no hydrogen 2.856 N/A THR 631.A OG1 LYS 627.A O no hydrogen 2.864 N/A LEU 632.A N VAL 628.A O no hydrogen 2.920 N/A LEU 633.A N CYS 629.A O no hydrogen 2.917 N/A ALA 634.A N ARG 630.A O no hydrogen 2.869 N/A LYS 635.A N THR 631.A O no hydrogen 2.896 N/A SER 636.A N LEU 632.A O no hydrogen 2.937 N/A SER 636.A OG GLN 579.A OE1 no hydrogen 2.428 N/A VAL 637.A N LEU 633.A O no hydrogen 2.886 N/A PHE 638.A N ALA 634.A O no hydrogen 2.876 N/A ASN 639.A N LYS 635.A O no hydrogen 2.901 N/A SER 640.A N SER 636.A O no hydrogen 2.946 N/A LEU 641.A N VAL 637.A O no hydrogen 2.866 N/A TYR 642.A N PHE 638.A O no hydrogen 2.660 N/A TYR 642.A OH GLN 270.A OE1 no hydrogen 2.537 N/A SER 644.A OG TYR 642.A O no hydrogen 3.494 N/A SER 644.A OG ASP 689.A OD2 no hydrogen 2.371 N/A GLN 646.A NE2 ASN 688.A OD1 no hydrogen 2.990 N/A GLU 648.A N SER 644.A O no hydrogen 3.372 N/A GLY 649.A N PRO 645.A O no hydrogen 2.921 N/A PHE 650.A N GLN 646.A O no hydrogen 2.863 N/A SER 651.A N LEU 647.A O no hydrogen 2.920 N/A SER 651.A OG LEU 647.A O no hydrogen 3.142 N/A ALA 652.A N GLU 648.A O no hydrogen 2.940 N/A GLU 653.A N GLY 649.A O no hydrogen 2.916 N/A SER 654.A N PHE 650.A O no hydrogen 2.858 N/A SER 654.A N SER 651.A O no hydrogen 3.336 N/A ARG 655.A N SER 651.A O no hydrogen 2.952 N/A LEU 658.A N SER 654.A O no hydrogen 2.916 N/A LEU 659.A N ARG 655.A O no hydrogen 2.889 N/A ILE 660.A N LYS 656.A O no hydrogen 2.911 N/A VAL 661.A N LEU 657.A O no hydrogen 2.906 N/A GLN 662.A N LEU 658.A O no hydrogen 2.898 N/A GLN 662.A NE2 ASP 666.A OD2 no hydrogen 3.491 N/A ALA 663.A N LEU 659.A O no hydrogen 2.884 N/A LEU 664.A N ILE 660.A O no hydrogen 2.916 N/A ARG 665.A N VAL 661.A O no hydrogen 2.906 N/A ASP 666.A N ALA 663.A O no hydrogen 3.032 N/A ASN 667.A N LEU 664.A O no hydrogen 3.178 N/A LEU 668.A N ALA 663.A O no hydrogen 3.220 N/A THR 672.A N GLU 250.A O no hydrogen 3.438 N/A THR 672.A OG1 GLU 250.A O no hydrogen 3.564 N/A LEU 675.A N GLU 250.A OE2 no hydrogen 3.476 N/A LEU 678.A N ASP 674.A O no hydrogen 2.978 N/A TYR 679.A N LEU 675.A O no hydrogen 2.906 N/A TYR 679.A OH ARG 258.A O no hydrogen 3.061 N/A GLU 680.A N GLU 676.A O no hydrogen 2.901 N/A ALA 681.A N GLY 677.A O no hydrogen 2.900 N/A ILE 682.A N LEU 678.A O no hydrogen 2.913 N/A GLU 683.A N TYR 679.A O no hydrogen 2.892 N/A GLU 684.A N GLU 680.A O no hydrogen 2.902 N/A CYS 685.A N ILE 682.A O no hydrogen 3.276 N/A CYS 685.A SG ALA 681.A O no hydrogen 3.424 N/A LEU 686.A N GLU 683.A O no hydrogen 3.313 N/A ASN 688.A N GLN 646.A OE1 no hydrogen 3.386 N/A ASN 688.A ND2 GLU 391.A O no hydrogen 3.631 N/A ASP 689.A N GLN 646.A OE1 no hydrogen 3.180 N/A TRP 691.A NE1 ASN 639.A OD1 no hydrogen 2.471 N/A LEU 693.A N ASP 689.A O no hydrogen 2.985 N/A LEU 694.A N PRO 690.A O no hydrogen 2.907 N/A ASN 695.A N TRP 691.A O no hydrogen 2.910 N/A ASN 695.A ND2 TRP 691.A O no hydrogen 3.059 N/A ALA 696.A N VAL 692.A O no hydrogen 2.887 N/A SER 697.A N LEU 693.A O no hydrogen 2.933 N/A TRP 698.A N LEU 694.A O no hydrogen 2.881 N/A TRP 698.A NE1 GLN 400.A OE1 no hydrogen 3.092 N/A PHE 699.A N ASN 695.A O no hydrogen 2.875 N/A ASN 700.A N ALA 696.A O no hydrogen 2.918 N/A ASN 700.A ND2 LEU 260.A O no hydrogen 3.294 N/A SER 701.A N SER 697.A O no hydrogen 2.955 N/A SER 701.A OG SER 697.A O no hydrogen 3.405 N/A PHE 702.A N TRP 698.A O no hydrogen 2.891 N/A LEU 703.A N PHE 699.A O no hydrogen 2.874 N/A THR 704.A N ASN 700.A O no hydrogen 2.949 N/A THR 704.A OG1 ASN 700.A O no hydrogen 3.530 N/A HIS 705.A N SER 701.A O no hydrogen 2.943 N/A ALA 706.A N LEU 703.A O no hydrogen 3.259 N/A LEU 707.A N LEU 703.A O no hydrogen 2.935 N/A