Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a5t_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N LEU 3.A O no hydrogen 3.363 N/A TYR 6.A OH GLU 35.A OE1 no hydrogen 2.981 N/A VAL 7.A N GLU 76.A O no hydrogen 2.802 N/A THR 9.A N LEU 74.A O no hydrogen 2.697 N/A GLN 10.A N SER 424.A O no hydrogen 2.892 N/A GLY 11.A N VAL 72.A O no hydrogen 2.987 N/A SER 13.A N ILE 67.A O no hydrogen 2.774 N/A PHE 15.A N ILE 65.A O no hydrogen 3.013 N/A SER 16.A OG GLU 59.A OE1 no hydrogen 3.348 N/A VAL 17.A N GLU 59.A OE2 no hydrogen 2.874 N/A THR 18.A N GLU 59.A OE2 no hydrogen 3.012 N/A THR 18.A OG1 GLU 59.A OE2 no hydrogen 3.322 N/A LYS 19.A NZ SER 16.A O no hydrogen 2.786 N/A LYS 20.A N ILE 56.A O no hydrogen 2.928 N/A LEU 22.A N CYS 54.A O no hydrogen 2.921 N/A ALA 24.A N GLN 52.A O no hydrogen 2.661 N/A GLY 25.A N GLU 29.A OE1 no hydrogen 2.878 N/A SER 26.A OG GLU 28.A OE1 no hydrogen 3.401 N/A GLU 29.A N SER 26.A OG no hydrogen 3.073 N/A CYS 30.A N SER 26.A O no hydrogen 2.969 N/A CYS 30.A SG GLN 46.A O no hydrogen 4.028 N/A ALA 31.A N ILE 27.A O no hydrogen 2.646 N/A ALA 32.A N GLU 28.A O no hydrogen 2.979 N/A LYS 33.A N GLU 29.A O no hydrogen 3.202 N/A CYS 34.A N CYS 30.A O no hydrogen 3.159 N/A CYS 34.A N ALA 31.A O no hydrogen 3.110 N/A CYS 34.A SG TYR 6.A OH no hydrogen 3.515 N/A CYS 34.A SG CYS 42.A O no hydrogen 3.886 N/A GLU 35.A N ALA 31.A O no hydrogen 2.978 N/A GLU 36.A N ALA 32.A O no hydrogen 2.842 N/A ASP 37.A N GLU 35.A O no hydrogen 2.765 N/A PHE 40.A N GLU 38.A O no hydrogen 2.757 N/A CYS 42.A N ASP 37.A OD1 no hydrogen 2.633 N/A CYS 42.A SG ALA 44.A O no hydrogen 3.505 N/A ARG 43.A N MET 57.A O no hydrogen 2.825 N/A ARG 43.A NH1 GLU 129.A OE2 no hydrogen 2.736 N/A ARG 43.A NH2 GLU 129.A OE1 no hydrogen 3.542 N/A ALA 44.A N MET 57.A O no hydrogen 3.091 N/A PHE 45.A N PHE 75.A O no hydrogen 2.804 N/A GLN 46.A N VAL 55.A O no hydrogen 2.847 N/A GLN 46.A NE2 LEU 14.A O no hydrogen 2.741 N/A TYR 47.A N VAL 73.A O no hydrogen 3.010 N/A TYR 47.A OH ALA 24.A O no hydrogen 2.877 N/A HIS 48.A N GLN 53.A O no hydrogen 2.992 N/A GLU 51.A N HIS 48.A O no hydrogen 2.801 N/A GLN 52.A NE2 GLY 25.A O no hydrogen 3.629 N/A GLN 53.A NE2 GLU 51.A O no hydrogen 3.606 N/A CYS 54.A N LEU 22.A O no hydrogen 2.763 N/A VAL 55.A N GLN 46.A O no hydrogen 2.812 N/A ILE 56.A N LYS 20.A O no hydrogen 2.950 N/A MET 57.A N ALA 44.A O no hydrogen 2.946 N/A ALA 58.A N THR 18.A O no hydrogen 3.356 N/A ASN 60.A N SER 63.A OG no hydrogen 3.318 N/A ARG 61.A N GLU 76.A OE2 no hydrogen 2.913 N/A ARG 61.A NH1 GLU 76.A OE1 no hydrogen 2.882 N/A LYS 62.A NZ TYR 80.A O no hydrogen 2.989 N/A LYS 62.A NZ GLU 83.A OE1 no hydrogen 2.903 N/A LYS 62.A NZ THR 95.A OG1 no hydrogen 3.233 N/A SER 64.A N ASN 60.A O no hydrogen 2.827 N/A SER 64.A OG PHE 15.A O no hydrogen 2.456 N/A ILE 65.A N SER 64.A OG no hydrogen 2.568 N/A ILE 67.A N SER 13.A O no hydrogen 2.841 N/A ARG 68.A NH1 ASP 413.A OD2 no hydrogen 2.790 N/A ARG 68.A NH2 ASP 413.A OD2 no hydrogen 2.568 N/A MET 69.A N GLY 11.A O no hydrogen 2.931 N/A VAL 72.A N ARG 70.A O no hydrogen 2.738 N/A VAL 73.A N TYR 47.A O no hydrogen 2.989 N/A LEU 74.A N THR 9.A O no hydrogen 2.632 N/A PHE 75.A N PHE 45.A O no hydrogen 2.926 N/A GLU 76.A N VAL 7.A O no hydrogen 3.043 N/A LYS 77.A N ARG 43.A O no hydrogen 3.068 N/A LYS 77.A NZ GLU 35.A OE2 no hydrogen 2.784 N/A LYS 78.A N ASP 5.A O no hydrogen 2.907 N/A LYS 78.A NZ ASP 4.A O no hydrogen 2.740 N/A TYR 80.A N LYS 77.A O no hydrogen 3.181 N/A LEU 81.A N LYS 78.A O no hydrogen 2.868 N/A SER 82.A N LYS 78.A O no hydrogen 2.806 N/A SER 82.A OG LYS 78.A O no hydrogen 3.176 N/A LYS 85.A N LEU 160.A O no hydrogen 3.125 N/A LYS 90.A NZ GLU 126.A OE1 no hydrogen 3.194 N/A LYS 90.A NZ ASN 135.A O no hydrogen 3.130 N/A LYS 90.A NZ PRO 136.A O no hydrogen 3.103 N/A TYR 92.A N GLY 89.A O no hydrogen 3.246 N/A TYR 92.A OH GLU 83.A OE2 no hydrogen 3.377 N/A ARG 93.A NE TYR 92.A O no hydrogen 2.592 N/A ARG 93.A NH2 LYS 90.A O no hydrogen 2.609 N/A THR 95.A N GLU 83.A OE2 no hydrogen 3.032 N/A THR 95.A OG1 GLU 83.A OE1 no hydrogen 2.751 N/A THR 95.A OG1 GLU 83.A OE2 no hydrogen 3.448 N/A MET 96.A N TYR 92.A OH no hydrogen 3.394 N/A LYS 98.A NZ GLY 102.A O no hydrogen 2.855 N/A THR 99.A N ILE 103.A O no hydrogen 2.822 N/A THR 99.A OG1 ILE 103.A O no hydrogen 3.392 N/A LYS 100.A N TYR 156.A O no hydrogen 2.485 N/A GLY 102.A N THR 99.A O no hydrogen 2.821 N/A ILE 103.A N THR 99.A OG1 no hydrogen 3.282 N/A CYS 105.A N SER 97.A O no hydrogen 2.775 N/A CYS 105.A SG SER 97.A O no hydrogen 3.104 N/A GLN 106.A N TYR 146.A O no hydrogen 2.589 N/A GLN 106.A NE2 LYS 107.A O no hydrogen 3.611 N/A GLN 106.A NE2 HIS 114.A O no hydrogen 2.905 N/A LYS 107.A NZ GLU 130.A OE2 no hydrogen 3.562 N/A TRP 108.A N GLU 130.A O no hydrogen 3.094 N/A TRP 108.A NE1 TYR 132.A O no hydrogen 2.579 N/A SER 110.A N LYS 107.A O no hydrogen 3.219 N/A SER 110.A OG LYS 107.A O no hydrogen 2.745 N/A HIS 114.A N GLN 106.A OE1 no hydrogen 2.661 N/A HIS 114.A NE2 PRO 150.A O no hydrogen 3.090 N/A ARG 117.A N TYR 146.A OH no hydrogen 3.169 N/A PHE 118.A N TYR 146.A OH no hydrogen 3.253 N/A ALA 121.A N SER 119.A OG no hydrogen 3.052 N/A HIS 123.A N SER 119.A O no hydrogen 2.745 N/A GLU 126.A N HIS 123.A O no hydrogen 2.904 N/A GLU 129.A N GLY 127.A O no hydrogen 2.641 N/A CYS 133.A N MET 96.A O no hydrogen 2.919 N/A CYS 133.A SG MET 96.A O no hydrogen 3.323 N/A CYS 133.A SG LYS 98.A O no hydrogen 3.879 N/A ARG 134.A N TRP 144.A O no hydrogen 3.013 N/A ARG 134.A NE GLY 127.A O no hydrogen 3.004 N/A ARG 134.A NH1 GLY 94.A O no hydrogen 3.001 N/A ARG 134.A NH1 CYS 133.A O no hydrogen 2.864 N/A ARG 134.A NH2 GLY 94.A O no hydrogen 3.028 N/A ARG 134.A NH2 GLU 129.A OE2 no hydrogen 3.162 N/A ASN 135.A ND2 ASN 88.A O no hydrogen 3.032 N/A ASN 135.A ND2 ASP 139.A O no hydrogen 3.006 N/A ASP 137.A N ASP 137.A OD1 no hydrogen 2.587 N/A ASN 138.A N ASN 135.A O no hydrogen 3.262 N/A ASP 139.A N ASN 135.A OD1 no hydrogen 3.071 N/A GLN 141.A N ASP 139.A OD1 no hydrogen 2.738 N/A GLY 142.A N ASP 139.A O no hydrogen 3.211 N/A TRP 144.A N ARG 134.A O no hydrogen 3.406 N/A TRP 144.A NE1 ASP 137.A OD1 no hydrogen 3.247 N/A CYS 145.A N ASP 155.A O no hydrogen 3.231 N/A CYS 145.A SG TYR 146.A O no hydrogen 3.400 N/A THR 147.A N ARG 153.A O no hydrogen 3.283 N/A THR 148.A N THR 104.A O no hydrogen 2.969 N/A THR 148.A OG1 THR 104.A O no hydrogen 2.787 N/A GLU 151.A N ASP 149.A OD1 no hydrogen 3.239 N/A LYS 152.A N ASP 149.A O no hydrogen 3.298 N/A ARG 153.A NH1 ARG 115.A O no hydrogen 2.701 N/A TYR 156.A N ASP 155.A OD1 no hydrogen 2.613 N/A TYR 156.A OH ASP 139.A OD2 no hydrogen 2.774 N/A CYS 157.A N PRO 143.A O no hydrogen 2.856 N/A CYS 157.A SG LYS 98.A O no hydrogen 3.692 N/A CYS 162.A N LYS 85.A O no hydrogen 2.506 N/A CYS 162.A SG GLU 164.A OE2 no hydrogen 3.562 N/A GLU 164.A N CYS 162.A O no hydrogen 2.591 N/A MET 167.A N PRO 241.A O no hydrogen 2.883 N/A HIS 168.A N GLU 163.A OE2 no hydrogen 3.470 N/A SER 170.A OG ASN 294.A O no hydrogen 3.516 N/A GLY 171.A N HIS 168.A O no hydrogen 3.008 N/A TYR 174.A N GLY 171.A O no hydrogen 2.974 N/A ILE 178.A N TYR 174.A OH no hydrogen 3.148 N/A SER 179.A OG GLU 186.A OE2 no hydrogen 2.826 N/A THR 181.A N LEU 185.A O no hydrogen 2.936 N/A THR 181.A OG1 GLU 236.A OE1 no hydrogen 2.605 N/A MET 182.A N LEU 237.A O no hydrogen 2.988 N/A SER 183.A N GLU 236.A OE1 no hydrogen 3.265 N/A SER 183.A OG GLU 236.A OE1 no hydrogen 3.391 N/A SER 183.A OG GLU 236.A OE2 no hydrogen 2.936 N/A GLY 184.A N THR 181.A O no hydrogen 2.952 N/A LEU 185.A N THR 181.A OG1 no hydrogen 3.213 N/A CYS 187.A N SER 179.A O no hydrogen 2.959 N/A GLN 188.A N PHE 227.A O no hydrogen 2.697 N/A GLN 188.A NE2 SER 192.A O no hydrogen 2.754 N/A GLN 188.A NE2 HIS 196.A O no hydrogen 2.841 N/A TRP 190.A N LYS 212.A O no hydrogen 2.906 N/A TRP 190.A NE1 TYR 214.A O no hydrogen 2.758 N/A SER 192.A N ALA 189.A O no hydrogen 2.949 N/A SER 192.A OG SER 194.A O no hydrogen 3.540 N/A GLN 193.A NE2 HIS 198.A O no hydrogen 3.023 N/A SER 194.A N SER 192.A OG no hydrogen 3.266 N/A HIS 196.A N GLN 188.A OE1 no hydrogen 2.965 N/A HIS 196.A NE2 ASP 230.A O no hydrogen 2.980 N/A HIS 198.A N GLN 193.A OE1 no hydrogen 2.830 N/A HIS 198.A NE2 SER 192.A O no hydrogen 2.984 N/A TYR 200.A N HIS 198.A ND1 no hydrogen 3.004 N/A TYR 200.A OH ASP 219.A OD2 no hydrogen 2.560 N/A LYS 204.A N ILE 201.A O no hydrogen 2.865 N/A PHE 205.A N ILE 201.A O no hydrogen 3.101 N/A PHE 205.A N PRO 202.A O no hydrogen 2.933 N/A LYS 208.A N PHE 205.A O no hydrogen 2.954 N/A LYS 208.A NZ PRO 218.A O no hydrogen 3.324 N/A ASN 209.A N PRO 206.A O no hydrogen 3.344 N/A LYS 211.A N ASN 209.A O no hydrogen 2.856 N/A LYS 211.A NZ ASN 209.A OD1 no hydrogen 2.976 N/A ASN 213.A ND2 GLU 186.A OE2 no hydrogen 3.282 N/A ASN 213.A ND2 CYS 187.A O no hydrogen 2.924 N/A TYR 214.A N LYS 211.A O no hydrogen 3.245 N/A CYS 215.A N ILE 178.A O no hydrogen 2.911 N/A CYS 215.A SG ILE 178.A O no hydrogen 3.468 N/A CYS 215.A SG LYS 180.A O no hydrogen 3.563 N/A ARG 216.A N TRP 225.A O no hydrogen 2.926 N/A ARG 216.A NE ASN 209.A O no hydrogen 2.907 N/A ARG 216.A NH1 GLY 176.A O no hydrogen 2.973 N/A ARG 216.A NH1 CYS 215.A O no hydrogen 2.964 N/A ARG 216.A NH2 GLY 176.A O no hydrogen 3.274 N/A ASN 217.A ND2 SER 170.A O no hydrogen 3.028 N/A ASN 217.A ND2 GLU 221.A O no hydrogen 2.961 N/A GLU 221.A N ASN 217.A OD1 no hydrogen 2.795 N/A LEU 222.A N GLU 221.A OE2 no hydrogen 2.808 N/A ARG 223.A NE CYS 238.A O no hydrogen 3.534 N/A ARG 223.A NH2 CYS 238.A O no hydrogen 3.329 N/A TRP 225.A N ARG 216.A O no hydrogen 2.915 N/A TRP 225.A NE1 ASP 219.A OD1 no hydrogen 3.241 N/A CYS 226.A N GLU 236.A O no hydrogen 3.277 N/A CYS 226.A SG PHE 227.A O no hydrogen 3.419 N/A THR 228.A N ARG 234.A O no hydrogen 2.884 N/A THR 228.A OG1 ASP 230.A O no hydrogen 3.374 N/A THR 228.A OG1 LYS 233.A O no hydrogen 2.726 N/A THR 229.A N GLU 186.A O no hydrogen 3.022 N/A ASP 230.A N THR 228.A OG1 no hydrogen 2.962 N/A ASN 232.A N ASP 230.A OD1 no hydrogen 2.764 N/A LYS 233.A N ASP 230.A O no hydrogen 2.816 N/A ARG 234.A NH2 ALA 197.A O no hydrogen 2.566 N/A GLU 236.A N CYS 226.A O no hydrogen 3.218 N/A CYS 238.A N PRO 224.A O no hydrogen 2.842 N/A CYS 238.A SG LYS 180.A O no hydrogen 3.585 N/A CYS 243.A N MET 167.A O no hydrogen 3.064 N/A CYS 243.A SG GLU 161.A OE1 no hydrogen 3.313 N/A TYR 254.A N ASN 263.A O no hydrogen 2.901 N/A LEU 257.A N PRO 331.A O no hydrogen 2.595 N/A LYS 258.A NZ SER 339.A O no hydrogen 3.434 N/A THR 260.A OG1 GLU 262.A OE2 no hydrogen 3.432 N/A GLY 261.A N LYS 258.A O no hydrogen 3.371 N/A TYR 264.A N GLY 261.A O no hydrogen 3.136 N/A ARG 265.A N TYR 254.A O no hydrogen 2.821 N/A VAL 268.A N TYR 264.A OH no hydrogen 3.137 N/A THR 271.A N HIS 275.A O no hydrogen 2.925 N/A THR 271.A OG1 GLU 326.A OE1 no hydrogen 2.466 N/A VAL 272.A N TYR 327.A O no hydrogen 3.071 N/A SER 273.A N GLU 326.A OE1 no hydrogen 2.972 N/A GLY 274.A N THR 271.A O no hydrogen 3.124 N/A HIS 275.A N THR 271.A OG1 no hydrogen 2.926 N/A CYS 277.A N ALA 269.A O no hydrogen 3.187 N/A GLN 278.A N HIS 317.A O no hydrogen 2.714 N/A GLN 278.A NE2 ALA 282.A O no hydrogen 2.823 N/A GLN 278.A NE2 HIS 286.A O no hydrogen 2.932 N/A TRP 280.A N GLU 302.A O no hydrogen 3.078 N/A TRP 280.A NE1 TYR 304.A O no hydrogen 2.717 N/A ALA 282.A N HIS 279.A O no hydrogen 3.091 N/A GLN 283.A NE2 HIS 288.A O no hydrogen 3.267 N/A HIS 286.A N GLN 278.A OE1 no hydrogen 2.983 N/A HIS 288.A NE2 TRP 280.A O no hydrogen 2.994 N/A THR 291.A OG1 GLU 293.A OE1 no hydrogen 3.439 N/A ASN 294.A N THR 291.A OG1 no hydrogen 3.180 N/A ASN 294.A ND2 ASN 289.A O no hydrogen 2.819 N/A PHE 295.A N THR 291.A O no hydrogen 2.878 N/A LYS 298.A N PHE 295.A O no hydrogen 3.117 N/A ASN 303.A ND2 CYS 277.A O no hydrogen 2.855 N/A TYR 304.A N ASP 301.A O no hydrogen 3.132 N/A CYS 305.A N VAL 268.A O no hydrogen 2.805 N/A CYS 305.A SG VAL 268.A O no hydrogen 3.374 N/A CYS 305.A SG VAL 270.A O no hydrogen 3.627 N/A ARG 306.A N TRP 315.A O no hydrogen 3.069 N/A ARG 306.A NE ASN 299.A O no hydrogen 2.626 N/A ARG 306.A NH1 GLY 266.A O no hydrogen 3.172 N/A ARG 306.A NH1 CYS 305.A O no hydrogen 2.726 N/A ARG 306.A NH2 GLY 266.A O no hydrogen 3.154 N/A ASN 307.A ND2 THR 260.A O no hydrogen 2.683 N/A ASN 307.A ND2 LYS 311.A O no hydrogen 2.706 N/A LYS 311.A N ASN 307.A OD1 no hydrogen 3.197 N/A LYS 311.A NZ ASP 309.A OD2 no hydrogen 2.875 N/A ARG 312.A N TYR 327.A OH no hydrogen 3.354 N/A TRP 315.A N ARG 306.A O no hydrogen 2.945 N/A CYS 316.A N GLU 326.A O no hydrogen 3.198 N/A CYS 316.A SG HIS 317.A O no hydrogen 3.494 N/A THR 318.A N ARG 324.A O no hydrogen 3.099 N/A THR 318.A OG1 ASN 320.A O no hydrogen 3.373 N/A THR 318.A OG1 VAL 323.A O no hydrogen 2.649 N/A THR 319.A N THR 276.A O no hydrogen 2.809 N/A THR 319.A OG1 THR 276.A O no hydrogen 3.311 N/A ASN 320.A N THR 318.A OG1 no hydrogen 3.162 N/A GLN 322.A N ASN 320.A OD1 no hydrogen 2.773 N/A VAL 323.A N ASN 320.A O no hydrogen 3.152 N/A ARG 324.A NH1 THR 287.A O no hydrogen 2.777 N/A ARG 324.A NH2 THR 287.A O no hydrogen 2.780 N/A GLU 326.A N CYS 316.A O no hydrogen 3.132 N/A CYS 328.A N PRO 314.A O no hydrogen 2.944 N/A CYS 328.A SG VAL 270.A O no hydrogen 3.506 N/A CYS 333.A N LEU 257.A O no hydrogen 2.633 N/A CYS 333.A SG LEU 257.A O no hydrogen 3.720 N/A THR 346.A OG1 PRO 345.A O no hydrogen 2.780 N/A LEU 351.A N PRO 349.A O no hydrogen 3.140 N/A VAL 354.A N GLU 530.A OE2 no hydrogen 2.738 N/A VAL 355.A N GLU 530.A OE1 no hydrogen 2.940 N/A TYR 359.A N LYS 433.A O no hydrogen 3.011 N/A GLY 363.A N HIS 360.A O no hydrogen 2.816 N/A GLN 364.A N ASP 362.A OD1 no hydrogen 3.263 N/A GLN 364.A NE2 ASP 362.A OD2 no hydrogen 2.908 N/A TYR 366.A N GLY 363.A O no hydrogen 3.076 N/A TYR 366.A OH ASP 357.A OD2 no hydrogen 2.985 N/A ARG 367.A NH1 GLN 364.A O no hydrogen 3.068 N/A ARG 367.A NH1 TYR 366.A O no hydrogen 2.955 N/A SER 370.A N TYR 366.A OH no hydrogen 3.122 N/A SER 371.A OG GLU 350.A OE1 no hydrogen 3.227 N/A THR 373.A N LYS 377.A O no hydrogen 2.918 N/A THR 373.A OG1 THR 375.A OG1 no hydrogen 3.329 N/A THR 373.A OG1 GLU 428.A OE1 no hydrogen 2.614 N/A THR 374.A N TYR 429.A O no hydrogen 2.986 N/A THR 374.A OG1 CYS 430.A O no hydrogen 3.524 N/A THR 375.A N THR 373.A OG1 no hydrogen 3.419 N/A THR 375.A OG1 THR 373.A OG1 no hydrogen 3.329 N/A THR 375.A OG1 GLU 428.A OE1 no hydrogen 2.764 N/A THR 375.A OG1 GLU 428.A OE2 no hydrogen 3.435 N/A GLY 376.A N THR 373.A O no hydrogen 3.003 N/A LYS 377.A N THR 373.A OG1 no hydrogen 3.170 N/A LYS 377.A NZ THR 375.A OG1 no hydrogen 3.054 N/A LYS 377.A NZ GLU 428.A OE2 no hydrogen 3.343 N/A LYS 378.A NZ GLU 350.A OE1 no hydrogen 3.082 N/A LYS 378.A NZ SER 371.A OG no hydrogen 3.223 N/A CYS 379.A N SER 371.A O no hydrogen 3.009 N/A GLN 380.A N PHE 419.A O no hydrogen 2.729 N/A GLN 380.A NE2 SER 381.A O no hydrogen 3.662 N/A GLN 380.A NE2 SER 384.A O no hydrogen 2.799 N/A GLN 380.A NE2 HIS 388.A O no hydrogen 3.004 N/A TRP 382.A N MET 404.A O no hydrogen 3.119 N/A TRP 382.A NE1 TYR 406.A O no hydrogen 2.665 N/A SER 384.A N SER 381.A O no hydrogen 3.076 N/A SER 384.A OG THR 386.A O no hydrogen 3.101 N/A THR 386.A N SER 384.A OG no hydrogen 3.126 N/A HIS 388.A N GLN 380.A OE1 no hydrogen 2.906 N/A HIS 388.A NE2 ASP 422.A O no hydrogen 3.051 N/A HIS 390.A NE2 TRP 382.A O no hydrogen 2.857 N/A THR 393.A OG1 ASN 396.A OD1 no hydrogen 2.995 N/A TYR 397.A N THR 393.A O no hydrogen 2.851 N/A ALA 400.A N TYR 397.A O no hydrogen 3.252 N/A THR 403.A N GLY 401.A O no hydrogen 2.935 N/A THR 403.A OG1 GLY 401.A O no hydrogen 3.232 N/A ASN 405.A ND2 CYS 379.A O no hydrogen 2.828 N/A TYR 406.A N THR 403.A O no hydrogen 3.321 N/A CYS 407.A N SER 370.A O no hydrogen 2.890 N/A CYS 407.A SG SER 370.A O no hydrogen 3.471 N/A ARG 408.A N TRP 417.A O no hydrogen 3.088 N/A ARG 408.A NE GLY 401.A O no hydrogen 2.845 N/A ARG 408.A NH1 GLY 368.A O no hydrogen 2.839 N/A ARG 408.A NH1 CYS 407.A O no hydrogen 2.924 N/A ARG 408.A NH2 GLY 368.A O no hydrogen 3.166 N/A LYS 414.A N ASP 413.A OD1 no hydrogen 2.375 N/A LYS 414.A NZ GLY 496.A O no hydrogen 3.521 N/A TRP 417.A N ARG 408.A O no hydrogen 2.839 N/A TRP 417.A NE1 ASP 411.A OD1 no hydrogen 2.787 N/A CYS 418.A N GLU 428.A O no hydrogen 3.226 N/A CYS 418.A SG PHE 419.A O no hydrogen 3.448 N/A THR 420.A N ARG 426.A O no hydrogen 3.053 N/A THR 420.A OG1 ASP 422.A O no hydrogen 3.348 N/A THR 420.A OG1 VAL 425.A O no hydrogen 2.671 N/A THR 421.A N LYS 378.A O no hydrogen 2.925 N/A THR 421.A OG1 LYS 378.A O no hydrogen 3.009 N/A ASP 422.A N THR 420.A OG1 no hydrogen 3.060 N/A SER 424.A N ASP 422.A OD1 no hydrogen 2.718 N/A SER 424.A OG ASP 422.A OD1 no hydrogen 2.569 N/A SER 424.A OG ASP 422.A OD2 no hydrogen 3.498 N/A VAL 425.A N ASP 422.A O no hydrogen 3.239 N/A ARG 426.A N GLN 10.A O no hydrogen 2.900 N/A ARG 426.A NH1 ARG 389.A O no hydrogen 3.321 N/A ARG 426.A NH2 ARG 389.A O no hydrogen 2.885 N/A TRP 427.A NE1 MET 69.A O no hydrogen 3.298 N/A GLU 428.A N CYS 418.A O no hydrogen 3.174 N/A TYR 429.A OH ASP 413.A OD1 no hydrogen 2.838 N/A TYR 429.A OH ASP 413.A OD2 no hydrogen 3.110 N/A CYS 430.A N PRO 416.A O no hydrogen 3.074 N/A CYS 430.A SG SER 370.A OG no hydrogen 3.031 N/A CYS 430.A SG THR 372.A O no hydrogen 3.151 N/A ASN 431.A N THR 372.A O no hydrogen 2.856 N/A LYS 434.A NZ ASP 513.A OD2 no hydrogen 3.282 N/A CYS 435.A N TYR 359.A O no hydrogen 2.721 N/A MET 439.A N PRO 515.A O no hydrogen 2.813 N/A GLY 441.A N GLN 516.A OE1 no hydrogen 2.668 N/A GLY 443.A N PHE 440.A O no hydrogen 3.042 N/A LYS 444.A N ASN 442.A OD1 no hydrogen 3.069 N/A LYS 444.A NZ PRO 491.A O no hydrogen 3.517 N/A TYR 446.A N GLY 443.A O no hydrogen 3.062 N/A TYR 446.A OH ASP 437.A OD1 no hydrogen 2.475 N/A ARG 447.A NH1 LYS 444.A O no hydrogen 3.118 N/A ARG 447.A NH1 TYR 446.A O no hydrogen 2.919 N/A ARG 447.A NH2 ARG 480.A O no hydrogen 2.948 N/A LYS 449.A N ASP 437.A OD2 no hydrogen 2.783 N/A ARG 450.A N TYR 446.A OH no hydrogen 3.191 N/A ARG 450.A NE ASP 513.A O no hydrogen 3.310 N/A ARG 450.A NH1 ASP 437.A OD1 no hydrogen 3.038 N/A THR 453.A N THR 457.A O no hydrogen 2.964 N/A THR 453.A OG1 TYR 511.A O no hydrogen 2.825 N/A VAL 454.A N TYR 511.A O no hydrogen 2.797 N/A THR 455.A OG1 THR 457.A OG1 no hydrogen 3.257 N/A GLY 456.A N THR 453.A O no hydrogen 2.993 N/A THR 457.A N THR 455.A OG1 no hydrogen 3.327 N/A THR 457.A OG1 THR 455.A OG1 no hydrogen 3.257 N/A CYS 459.A N ALA 451.A O no hydrogen 2.927 N/A CYS 459.A SG ALA 451.A O no hydrogen 3.271 N/A GLN 460.A N TYR 501.A O no hydrogen 2.635 N/A GLN 460.A NE2 THR 502.A O no hydrogen 3.586 N/A TRP 462.A N LYS 485.A O no hydrogen 2.705 N/A TRP 462.A NE1 TYR 487.A O no hydrogen 2.664 N/A ALA 464.A N ASP 461.A O no hydrogen 3.044 N/A GLN 465.A NE2 HIS 470.A O no hydrogen 3.538 N/A HIS 468.A NE2 PRO 505.A O no hydrogen 3.092 N/A THR 474.A N THR 477.A OG1 no hydrogen 2.819 N/A THR 474.A OG1 GLU 476.A OE1 no hydrogen 3.359 N/A THR 474.A OG1 THR 477.A OG1 no hydrogen 3.379 N/A GLU 476.A N THR 474.A OG1 no hydrogen 3.283 N/A THR 477.A N THR 474.A OG1 no hydrogen 3.031 N/A THR 477.A OG1 THR 474.A O no hydrogen 3.033 N/A THR 477.A OG1 THR 474.A OG1 no hydrogen 3.379 N/A THR 477.A OG1 ASN 478.A OD1 no hydrogen 2.850 N/A ASN 478.A N THR 474.A O no hydrogen 3.003 N/A ALA 481.A N ASN 478.A O no hydrogen 3.290 N/A GLU 484.A N GLY 482.A O no hydrogen 2.826 N/A LYS 485.A NZ TYR 487.A OH no hydrogen 3.020 N/A ASN 486.A ND2 CYS 459.A O no hydrogen 3.080 N/A TYR 487.A N GLU 484.A O no hydrogen 3.267 N/A CYS 488.A N ARG 450.A O no hydrogen 2.907 N/A CYS 488.A SG ARG 450.A O no hydrogen 3.323 N/A CYS 488.A SG THR 452.A O no hydrogen 3.957 N/A ARG 489.A N TRP 499.A O no hydrogen 2.929 N/A ARG 489.A NE GLY 482.A O no hydrogen 2.792 N/A ARG 489.A NH1 GLY 448.A O no hydrogen 2.917 N/A ARG 489.A NH1 CYS 488.A O no hydrogen 2.874 N/A ARG 489.A NH2 GLY 448.A O no hydrogen 3.045 N/A ASN 490.A ND2 ASN 442.A O no hydrogen 2.745 N/A ASN 490.A ND2 ASP 494.A O no hydrogen 2.973 N/A GLY 493.A N ASN 490.A O no hydrogen 3.286 N/A ASP 494.A N ASN 490.A OD1 no hydrogen 2.797 N/A GLY 496.A N ASP 494.A OD1 no hydrogen 2.851 N/A GLY 497.A N ASP 494.A O no hydrogen 3.109 N/A TRP 499.A N ARG 489.A O no hydrogen 2.897 N/A TRP 499.A NE1 ASP 492.A OD1 no hydrogen 2.961 N/A CYS 500.A N ASP 510.A O no hydrogen 3.003 N/A CYS 500.A SG TYR 501.A O no hydrogen 3.476 N/A THR 502.A N LEU 508.A O no hydrogen 3.018 N/A THR 502.A OG1 LYS 507.A O no hydrogen 2.716 N/A THR 503.A N PRO 458.A O no hydrogen 3.053 N/A THR 503.A OG1 PRO 458.A O no hydrogen 3.391 N/A ASN 504.A N THR 502.A OG1 no hydrogen 2.977 N/A LYS 507.A N ASN 504.A O no hydrogen 3.128 N/A TYR 509.A OH ASP 71.A OD2 no hydrogen 2.797 N/A ASP 510.A N CYS 500.A O no hydrogen 3.002 N/A TYR 511.A N ASP 510.A OD1 no hydrogen 2.852 N/A CYS 512.A N PRO 498.A O no hydrogen 3.041 N/A CYS 512.A SG THR 452.A O no hydrogen 3.522 N/A GLN 516.A NE2 GLY 441.A O no hydrogen 3.042 N/A CYS 517.A N MET 439.A O no hydrogen 2.862 N/A CYS 517.A SG MET 439.A O no hydrogen 3.624 N/A SER 521.A OG PRO 520.A O no hydrogen 2.811 N/A GLY 525.A N PRO 640.A O no hydrogen 2.805 N/A LYS 526.A NZ ASP 523.A OD2 no hydrogen 2.815 N/A LYS 532.A NZ VAL 543.A O no hydrogen 2.791 N/A LYS 533.A NZ THR 352.A O no hydrogen 3.390 N/A CYS 534.A N GLU 675.A OE2 no hydrogen 2.891 N/A CYS 534.A SG PRO 535.A O no hydrogen 3.898 N/A VAL 538.A N GLY 536.A O no hydrogen 2.705 N/A CYS 542.A N GLU 675.A O no hydrogen 2.919 N/A ALA 544.A N LEU 673.A O no hydrogen 2.778 N/A SER 548.A N HIS 545.A O no hydrogen 3.061 N/A SER 548.A OG HIS 545.A O no hydrogen 2.523 N/A TRP 549.A NE1 GLU 675.A OE1 no hydrogen 2.559 N/A GLN 552.A N TRP 549.A O no hydrogen 3.061 N/A VAL 553.A N GLY 566.A O no hydrogen 3.121 N/A SER 554.A N ILE 593.A O no hydrogen 3.088 N/A SER 554.A OG HIS 562.A ND1 no hydrogen 2.836 N/A LEU 555.A N CYS 564.A O no hydrogen 2.748 N/A ARG 556.A N LYS 591.A O no hydrogen 2.650 N/A ARG 556.A NH2 GLU 599.A O no hydrogen 2.920 N/A THR 557.A N MET 561.A O no hydrogen 3.134 N/A PHE 559.A N THR 557.A OG1 no hydrogen 3.008 N/A MET 561.A N THR 557.A OG1 no hydrogen 3.355 N/A HIS 562.A ND1 SER 554.A OG no hydrogen 2.836 N/A HIS 562.A NE2 ASP 716.A OD1 no hydrogen 2.923 N/A PHE 563.A N LEU 555.A O no hydrogen 3.104 N/A CYS 564.A SG PHE 563.A O no hydrogen 3.141 N/A CYS 564.A SG SER 717.A O no hydrogen 3.342 N/A GLY 565.A N SER 717.A O no hydrogen 2.871 N/A GLY 566.A N VAL 553.A O no hydrogen 3.222 N/A THR 567.A N LEU 575.A O no hydrogen 2.698 N/A LEU 568.A N TRP 551.A O no hydrogen 2.815 N/A ILE 569.A N TRP 573.A O no hydrogen 2.805 N/A TRP 573.A N SER 570.A O no hydrogen 3.486 N/A VAL 574.A N LEU 626.A O no hydrogen 2.941 N/A LEU 575.A N THR 567.A O no hydrogen 2.762 N/A THR 576.A N ALA 624.A O no hydrogen 3.071 N/A THR 576.A OG1 GLY 565.A O no hydrogen 2.610 N/A ALA 578.A N ASP 622.A O no hydrogen 3.098 N/A CYS 580.A N ALA 577.A O no hydrogen 3.027 N/A CYS 580.A SG THR 576.A OG1 no hydrogen 3.524 N/A CYS 580.A SG SER 717.A O no hydrogen 3.240 N/A CYS 580.A SG SER 717.A OG no hydrogen 3.470 N/A LEU 581.A N ALA 578.A O no hydrogen 2.956 N/A GLU 582.A N HIS 579.A O no hydrogen 3.236 N/A SER 584.A N TYR 590.A OH no hydrogen 3.263 N/A SER 584.A OG SER 589.A OG no hydrogen 2.779 N/A ARG 586.A N SER 584.A OG no hydrogen 3.029 N/A SER 588.A OG GLU 610.A OE2 no hydrogen 3.127 N/A SER 589.A N ARG 586.A O no hydrogen 2.971 N/A SER 589.A OG SER 584.A OG no hydrogen 2.779 N/A SER 589.A OG ARG 586.A O no hydrogen 3.065 N/A TYR 590.A N PRO 587.A O no hydrogen 3.044 N/A TYR 590.A OH SER 584.A O no hydrogen 2.612 N/A LYS 591.A N ARG 556.A O no hydrogen 2.732 N/A LYS 591.A NZ GLU 608.A OE2 no hydrogen 3.450 N/A VAL 592.A N ILE 609.A O no hydrogen 2.790 N/A ILE 593.A N SER 554.A O no hydrogen 2.881 N/A LEU 594.A N GLN 607.A O no hydrogen 2.696 N/A HIS 597.A N GLU 603.A OE1 no hydrogen 3.283 N/A GLU 599.A N GLY 671.A O no hydrogen 2.830 N/A LEU 602.A N VAL 600.A O no hydrogen 2.977 N/A HIS 605.A NE2 GLY 595.A O no hydrogen 2.773 N/A VAL 606.A N GLU 603.A O no hydrogen 3.178 N/A GLN 607.A N LEU 594.A O no hydrogen 2.956 N/A GLN 607.A NE2 VAL 633.A O no hydrogen 2.970 N/A ILE 609.A N VAL 592.A O no hydrogen 2.822 N/A VAL 611.A N TYR 590.A O no hydrogen 3.082 N/A SER 612.A N LYS 627.A O no hydrogen 2.874 N/A SER 612.A OG LYS 627.A O no hydrogen 3.410 N/A ARG 613.A N LYS 627.A O no hydrogen 3.460 N/A PHE 615.A N LEU 625.A O no hydrogen 2.978 N/A GLU 617.A N ILE 623.A O no hydrogen 3.073 N/A THR 619.A N GLU 617.A OE2 no hydrogen 3.167 N/A THR 619.A OG1 GLU 617.A OE1 no hydrogen 3.190 N/A THR 619.A OG1 GLU 617.A OE2 no hydrogen 2.614 N/A ARG 620.A N GLU 617.A OE1 no hydrogen 2.626 N/A LYS 621.A N GLU 617.A OE1 no hydrogen 3.243 N/A LYS 621.A NZ PRO 618.A O no hydrogen 3.501 N/A ALA 624.A N THR 576.A O no hydrogen 2.888 N/A LEU 625.A N PHE 615.A O no hydrogen 2.821 N/A LEU 626.A N VAL 574.A O no hydrogen 2.758 N/A LYS 627.A N ARG 613.A O no hydrogen 3.069 N/A LYS 627.A NZ ASN 767.A O no hydrogen 2.450 N/A LEU 628.A N GLU 572.A O no hydrogen 2.900 N/A SER 629.A N GLU 610.A O no hydrogen 2.649 N/A ALA 632.A N PRO 571.A O no hydrogen 2.631 N/A VAL 633.A N GLN 607.A OE1 no hydrogen 2.647 N/A THR 635.A N VAL 638.A O no hydrogen 2.971 N/A LYS 637.A N THR 635.A OG1 no hydrogen 2.917 N/A LYS 637.A NZ ASP 636.A OD1 no hydrogen 3.076 N/A VAL 638.A N THR 635.A O no hydrogen 3.422 N/A VAL 638.A N THR 635.A OG1 no hydrogen 3.082 N/A ILE 639.A N PRO 550.A O no hydrogen 3.098 N/A ALA 641.A N LEU 568.A O no hydrogen 2.978 N/A ASN 647.A N SER 754.A O no hydrogen 2.701 N/A TYR 648.A N SER 645.A O no hydrogen 2.882 N/A ARG 653.A N VAL 680.A O no hydrogen 2.734 N/A THR 654.A N ALA 651.A O no hydrogen 3.114 N/A THR 654.A OG1 ALA 651.A O no hydrogen 2.558 N/A CYS 656.A N LEU 678.A O no hydrogen 2.819 N/A CYS 656.A SG THR 654.A O no hydrogen 3.723 N/A PHE 657.A N VAL 722.A O no hydrogen 2.796 N/A ILE 658.A N ALA 676.A O no hydrogen 2.902 N/A THR 659.A N PRO 720.A O no hydrogen 3.342 N/A GLY 660.A N LYS 674.A O no hydrogen 3.007 N/A TRP 661.A N ASP 716.A OD1 no hydrogen 3.204 N/A TRP 661.A N ASP 716.A OD2 no hydrogen 2.760 N/A TRP 661.A NE1 HIS 597.A O no hydrogen 2.810 N/A LEU 672.A N GLY 669.A O no hydrogen 3.308 N/A LEU 673.A N HIS 597.A O no hydrogen 3.130 N/A LYS 674.A N GLY 660.A O no hydrogen 2.901 N/A GLU 675.A N CYS 542.A O no hydrogen 2.952 N/A ALA 676.A N ILE 658.A O no hydrogen 2.957 N/A GLN 677.A NE2 CYS 534.A O no hydrogen 2.658 N/A LEU 678.A N CYS 656.A O no hydrogen 2.630 N/A VAL 680.A N THR 654.A O no hydrogen 2.823 N/A ILE 681.A N CYS 702.A O no hydrogen 2.851 N/A GLU 682.A N ASP 652.A OD1 no hydrogen 2.915 N/A ASN 683.A ND2 GLN 697.A O no hydrogen 3.567 N/A ASN 683.A ND2 GLU 700.A O no hydrogen 3.337 N/A LYS 684.A NZ ASP 219.A OD2 no hydrogen 3.412 N/A LYS 684.A NZ GLU 221.A OE1 no hydrogen 2.779 N/A CYS 686.A N GLU 682.A O no hydrogen 2.826 N/A ASN 687.A N ASN 683.A O no hydrogen 2.850 N/A ASN 687.A ND2 LEU 692.A O no hydrogen 3.328 N/A ASN 687.A ND2 VAL 696.A O no hydrogen 3.531 N/A ARG 688.A N VAL 685.A O no hydrogen 3.227 N/A ARG 688.A NH2 ASP 219.A O no hydrogen 3.502 N/A PHE 691.A N ARG 688.A O no hydrogen 3.163 N/A LEU 692.A N CYS 686.A O no hydrogen 3.302 N/A GLY 694.A N ASN 687.A O no hydrogen 3.049 N/A ARG 695.A N LEU 692.A O no hydrogen 3.139 N/A GLU 700.A N GLN 697.A O no hydrogen 2.986 N/A LEU 701.A N TYR 750.A O no hydrogen 2.870 N/A ALA 703.A N GLY 748.A O no hydrogen 3.009 N/A GLY 704.A N PRO 679.A O no hydrogen 2.882 N/A GLY 718.A N THR 735.A O no hydrogen 2.740 N/A GLY 719.A N ASP 716.A O no hydrogen 2.748 N/A LEU 721.A N GLY 733.A O no hydrogen 3.099 N/A VAL 722.A N PHE 657.A O no hydrogen 3.036 N/A CYS 723.A N ILE 730.A O no hydrogen 2.881 N/A GLU 725.A N LYS 728.A O no hydrogen 2.728 N/A LYS 726.A NZ THR 374.A O no hydrogen 3.460 N/A LYS 728.A N GLU 725.A O no hydrogen 3.000 N/A LYS 728.A NZ GLU 725.A O no hydrogen 3.540 N/A TYR 729.A N GLY 525.A O no hydrogen 2.924 N/A ILE 730.A N CYS 723.A O no hydrogen 3.107 N/A LEU 731.A N CYS 642.A O no hydrogen 2.823 N/A GLN 732.A N LEU 721.A O no hydrogen 2.837 N/A GLY 733.A N LEU 721.A O no hydrogen 3.003 N/A VAL 734.A N VAL 751.A O no hydrogen 3.063 N/A THR 735.A N GLY 719.A O no hydrogen 2.882 N/A THR 735.A OG1 GLY 719.A O no hydrogen 2.747 N/A TRP 737.A NE1 GLN 714.A O no hydrogen 2.989 N/A GLY 738.A N SER 736.A O no hydrogen 2.649 N/A GLY 740.A N TRP 737.A O no hydrogen 3.153 N/A CYS 741.A SG TRP 737.A O no hydrogen 3.424 N/A ASN 745.A ND2 LEU 706.A O no hydrogen 3.232 N/A LYS 746.A N ARG 743.A O no hydrogen 3.237 N/A LYS 746.A NZ GLU 690.A O no hydrogen 2.876 N/A GLY 748.A N ALA 703.A O no hydrogen 2.938 N/A VAL 749.A N GLY 740.A O no hydrogen 3.320 N/A TYR 750.A N LEU 701.A O no hydrogen 2.718 N/A VAL 751.A N VAL 734.A O no hydrogen 3.079 N/A ARG 752.A N THR 699.A O no hydrogen 3.080 N/A ARG 752.A NE SER 698.A O no hydrogen 2.938 N/A ARG 752.A NE GLU 700.A O no hydrogen 2.835 N/A ARG 752.A NH2 GLU 700.A O no hydrogen 2.883 N/A VAL 753.A N GLN 732.A O no hydrogen 2.990 N/A SER 754.A OG TYR 648.A O no hydrogen 2.408 N/A ARG 755.A N ARG 752.A O no hydrogen 3.076 N/A ARG 755.A NH1 SER 698.A OG no hydrogen 2.761 N/A PHE 756.A N VAL 753.A O no hydrogen 2.809 N/A ILE 760.A N PHE 756.A O no hydrogen 2.904 N/A GLU 761.A N VAL 757.A O no hydrogen 2.764 N/A GLY 762.A N THR 758.A O no hydrogen 2.836 N/A VAL 763.A N TRP 759.A O no hydrogen 2.815 N/A MET 764.A N ILE 760.A O no hydrogen 2.916 N/A ARG 765.A N GLU 761.A O no hydrogen 3.158 N/A ARG 765.A N GLY 762.A O no hydrogen 3.292 N/A ASN 767.A N VAL 763.A O no hydrogen 3.284 N/A