Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6isg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 2.809 N/A LEU 3.A N PHE 19.A O no hydrogen 2.615 N/A ASP 4.A N PHE 19.A O no hydrogen 3.313 N/A THR 5.A N ASP 4.A OD1 no hydrogen 2.624 N/A THR 5.A OG1 ALA 117.A O no hydrogen 2.801 N/A ASP 6.A N ARG 17.A O no hydrogen 2.909 N/A ILE 8.A N VAL 15.A O no hydrogen 3.261 N/A GLU 10.A N LYS 13.A O no hydrogen 3.057 N/A VAL 15.A N ILE 8.A O no hydrogen 3.202 N/A ILE 16.A N ASP 31.A O no hydrogen 2.882 N/A ARG 17.A N ASP 6.A O no hydrogen 2.617 N/A ARG 17.A NH1 ASP 235.A OD2 no hydrogen 3.539 N/A VAL 18.A N GLU 29.A O no hydrogen 2.865 N/A LYS 20.A N LYS 27.A O no hydrogen 2.993 N/A LYS 21.A N MET 1.A O no hydrogen 3.086 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 2.835 N/A GLU 22.A N GLU 25.A O no hydrogen 3.056 N/A GLY 24.A N GLU 133.A OE2 no hydrogen 2.759 N/A LYS 27.A N LYS 20.A O no hydrogen 3.155 N/A GLU 29.A N VAL 18.A O no hydrogen 3.480 N/A ASP 31.A N ILE 16.A O no hydrogen 2.923 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.436 N/A PHE 38.A N LEU 85.A O no hydrogen 3.309 N/A TYR 39.A N TYR 110.A O no hydrogen 3.120 N/A LEU 41.A N ASP 108.A O no hydrogen 3.231 N/A LYS 43.A N ALA 105.A O no hydrogen 2.906 N/A ALA 47.A N ASP 44.A O no hydrogen 2.880 N/A THR 55.A OG1 VAL 63.A O no hydrogen 2.822 N/A ARG 58.A N THR 61.A O no hydrogen 2.885 N/A VAL 63.A N ALA 56.A O no hydrogen 3.057 N/A LYS 66.A N TYR 86.A O no hydrogen 2.958 N/A GLU 69.A N LYS 84.A O no hydrogen 3.240 N/A VAL 71.A N VAL 82.A O no hydrogen 2.706 N/A LYS 73.A N ILE 80.A O no hydrogen 2.668 N/A LYS 74.A N ASN 365.A O no hydrogen 3.157 N/A PHE 75.A N ARG 78.A O no hydrogen 2.792 N/A ILE 80.A N LYS 73.A O no hydrogen 2.879 N/A VAL 82.A N VAL 71.A O no hydrogen 2.748 N/A TRP 83.A N ALA 40.A O no hydrogen 2.683 N/A LYS 84.A N GLU 69.A O no hydrogen 3.093 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 2.899 N/A LEU 85.A N PHE 38.A O no hydrogen 2.708 N/A TYR 86.A N ARG 67.A O no hydrogen 2.774 N/A PHE 87.A N PRO 36.A O no hydrogen 3.490 N/A HIS 89.A N ASP 92.A OD2 no hydrogen 3.251 N/A GLN 91.A N HIS 89.A ND1 no hydrogen 3.348 N/A ASP 92.A N HIS 89.A O no hydrogen 3.057 N/A VAL 93.A N PRO 90.A O no hydrogen 3.095 N/A ALA 95.A N ASP 92.A O no hydrogen 3.216 N/A ILE 96.A N ASP 92.A O no hydrogen 2.959 N/A ARG 97.A N VAL 93.A O no hydrogen 3.186 N/A ILE 100.A N ILE 96.A O no hydrogen 2.975 N/A ARG 101.A N ARG 97.A O no hydrogen 2.759 N/A ALA 102.A N ASP 98.A O no hydrogen 3.182 N/A HIS 103.A N ARG 99.A O no hydrogen 3.248 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 3.181 N/A VAL 107.A N LEU 41.A O no hydrogen 2.637 N/A TYR 110.A N TYR 39.A O no hydrogen 3.291 N/A GLU 111.A N ASN 370.A OD1 no hydrogen 3.162 N/A ARG 119.A N PRO 115.A O no hydrogen 2.723 N/A ARG 119.A NE ASP 123.A OD1 no hydrogen 2.891 N/A TYR 120.A N PHE 116.A O no hydrogen 2.855 N/A ILE 122.A N LYS 118.A O no hydrogen 3.225 N/A ASP 123.A N ARG 119.A O no hydrogen 2.855 N/A LYS 124.A N TYR 120.A O no hydrogen 3.079 N/A LEU 126.A N LEU 121.A O no hydrogen 3.068 N/A MET 129.A N ILE 2.A O no hydrogen 3.224 N/A THR 136.A N ASP 204.A OD2 no hydrogen 2.999 N/A THR 136.A OG1 ASP 204.A OD2 no hydrogen 3.022 N/A LEU 138.A N VAL 205.A O no hydrogen 2.918 N/A ALA 139.A N ALA 163.A O no hydrogen 2.969 N/A PHE 140.A N ILE 207.A O no hydrogen 3.160 N/A ALA 141.A N SER 161.A O no hydrogen 2.685 N/A ALA 143.A N MET 159.A O no hydrogen 3.078 N/A LEU 145.A N PRO 156.A O no hydrogen 3.031 N/A HIS 147.A N GLU 150.A OE2 no hydrogen 2.856 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.578 N/A THR 154.A N GLU 151.A O no hydrogen 3.239 N/A THR 154.A OG1 GLU 150.A OE1 no hydrogen 3.054 N/A THR 154.A OG1 GLU 151.A O no hydrogen 2.409 N/A THR 154.A OG1 GLU 151.A OE1 no hydrogen 3.303 N/A ILE 157.A N GLU 187.A OE2 no hydrogen 2.688 N/A LEU 158.A N ALA 143.A O no hydrogen 2.714 N/A MET 159.A N ALA 143.A O no hydrogen 3.364 N/A ILE 160.A N ILE 171.A O no hydrogen 2.887 N/A SER 161.A N ALA 141.A O no hydrogen 2.727 N/A TYR 162.A N ARG 169.A O no hydrogen 3.057 N/A ALA 163.A N ALA 139.A O no hydrogen 2.753 N/A ASP 164.A N GLU 167.A O no hydrogen 2.874 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.728 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.183 N/A GLU 167.A N ASP 164.A OD1 no hydrogen 3.145 N/A ARG 169.A N TYR 162.A O no hydrogen 2.903 N/A ARG 169.A NE ASP 182.A OD1 no hydrogen 3.292 N/A ARG 169.A NE ASP 182.A OD2 no hydrogen 2.998 N/A ARG 169.A NH1 PRO 179.A O no hydrogen 3.218 N/A ARG 169.A NH2 PRO 179.A O no hydrogen 3.136 N/A ARG 169.A NH2 ASP 182.A OD1 no hydrogen 2.768 N/A VAL 170.A N TYR 180.A O no hydrogen 2.850 N/A ILE 171.A N ILE 160.A O no hydrogen 2.895 N/A THR 172.A N ASP 182.A O no hydrogen 3.156 N/A THR 172.A OG1 LEU 158.A O no hydrogen 2.710 N/A TRP 173.A NE1 ILE 157.A O no hydrogen 3.061 N/A VAL 181.A N LEU 178.A O no hydrogen 3.435 N/A ASP 182.A N VAL 170.A O no hydrogen 2.680 N/A VAL 184.A N THR 172.A O no hydrogen 2.636 N/A LYS 188.A N THR 186.A OG1 no hydrogen 3.248 N/A MET 190.A N THR 186.A O no hydrogen 3.193 N/A MET 190.A N GLU 187.A O no hydrogen 3.234 N/A ILE 191.A N GLU 187.A O no hydrogen 3.219 N/A LYS 192.A N LYS 188.A O no hydrogen 2.965 N/A ARG 193.A N GLU 189.A O no hydrogen 2.971 N/A PHE 194.A N MET 190.A O no hydrogen 2.873 N/A LEU 195.A N ILE 191.A O no hydrogen 2.962 N/A ARG 196.A N LYS 192.A O no hydrogen 3.191 N/A VAL 197.A N ARG 193.A O no hydrogen 2.813 N/A VAL 198.A N PHE 194.A O no hydrogen 3.008 N/A ARG 199.A N LEU 195.A O no hydrogen 3.043 N/A GLU 200.A N ARG 196.A O no hydrogen 2.740 N/A LYS 201.A N VAL 197.A O no hydrogen 2.949 N/A LYS 201.A NZ ASP 164.A OD2 no hydrogen 3.253 N/A LYS 201.A NZ GLU 167.A OE2 no hydrogen 3.242 N/A ASP 202.A N VAL 198.A O no hydrogen 2.786 N/A ASP 204.A N THR 136.A OG1 no hydrogen 3.251 N/A VAL 205.A N THR 136.A O no hydrogen 3.053 N/A LEU 206.A N ILE 256.A O no hydrogen 2.742 N/A ILE 207.A N LEU 138.A O no hydrogen 3.013 N/A THR 208.A N PHE 258.A O no hydrogen 3.237 N/A THR 208.A OG1 HIS 257.A NE2 no hydrogen 2.933 N/A TYR 209.A OH TYR 273.A O no hydrogen 2.369 N/A ASN 210.A N ASP 259.A OD1 no hydrogen 2.762 N/A ASP 212.A N ASP 259.A OD2 no hydrogen 3.137 N/A PHE 214.A N ASN 210.A O no hydrogen 3.488 N/A PHE 216.A N GLY 211.A O no hydrogen 3.223 N/A TYR 218.A N PHE 214.A O no hydrogen 2.859 N/A TYR 218.A OH GLY 155.A O no hydrogen 2.562 N/A LEU 219.A N ASP 215.A O no hydrogen 3.111 N/A LYS 220.A N PHE 216.A O no hydrogen 3.144 N/A LYS 221.A N ALA 217.A O no hydrogen 3.078 N/A ARG 222.A N TYR 218.A O no hydrogen 3.054 N/A ARG 222.A NH1 GLY 153.A O no hydrogen 3.272 N/A CYS 223.A N LEU 219.A O no hydrogen 2.983 N/A CYS 223.A SG LEU 219.A O no hydrogen 3.276 N/A GLU 224.A N LYS 220.A O no hydrogen 2.800 N/A GLU 225.A N LYS 221.A O no hydrogen 3.093 N/A LEU 226.A N ARG 222.A O no hydrogen 2.708 N/A GLY 227.A N CYS 223.A O no hydrogen 2.971 N/A ILE 228.A N CYS 223.A O no hydrogen 2.783 N/A THR 231.A N LYS 229.A O no hydrogen 2.908 N/A THR 231.A OG1 THR 231.A O no hydrogen 2.602 N/A GLY 233.A N SER 237.A O no hydrogen 3.091 N/A ARG 234.A N LYS 253.A O no hydrogen 3.451 N/A ARG 234.A NE ASP 202.A OD1 no hydrogen 2.880 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 3.170 N/A ARG 234.A NH1 GLY 254.A O no hydrogen 2.948 N/A ARG 234.A NH2 ASP 204.A OD1 no hydrogen 2.777 N/A LYS 240.A N GLU 251.A O no hydrogen 2.832 N/A ALA 249.A N GLN 242.A O no hydrogen 2.752 N/A VAL 250.A N ASP 212.A OD1 no hydrogen 2.845 N/A GLU 251.A N LYS 240.A O no hydrogen 2.780 N/A ARG 255.A N VAL 252.A O no hydrogen 2.915 N/A ARG 255.A NE LEU 232.A O no hydrogen 2.704 N/A ARG 255.A NH1 ASP 202.A OD1 no hydrogen 2.744 N/A ARG 255.A NH1 PRO 203.A O no hydrogen 3.026 N/A ARG 255.A NH2 LEU 232.A O no hydrogen 3.212 N/A ILE 256.A N ASP 204.A O no hydrogen 2.758 N/A HIS 257.A ND1 VAL 250.A O no hydrogen 2.931 N/A HIS 257.A NE2 THR 208.A OG1 no hydrogen 2.933 N/A PHE 258.A N LEU 206.A O no hydrogen 2.792 N/A LEU 260.A N THR 208.A O no hydrogen 2.892 N/A TYR 261.A N ASP 259.A OD1 no hydrogen 3.049 N/A ILE 264.A N LEU 260.A O no hydrogen 2.779 N/A ARG 265.A N TYR 261.A O no hydrogen 2.898 N/A ARG 265.A NH1 TYR 261.A OH no hydrogen 2.977 N/A ARG 266.A N PRO 262.A O no hydrogen 3.130 N/A THR 267.A N VAL 263.A O no hydrogen 2.816 N/A THR 267.A OG1 VAL 263.A O no hydrogen 3.114 N/A ILE 268.A N ILE 264.A O no hydrogen 2.778 N/A LEU 270.A N TYR 273.A OH no hydrogen 3.162 N/A TYR 273.A OH ILE 268.A O no hydrogen 3.114 N/A VAL 278.A N THR 274.A O no hydrogen 2.888 N/A TYR 279.A N LEU 275.A O no hydrogen 3.159 N/A GLU 280.A N GLU 276.A O no hydrogen 3.035 N/A ALA 281.A N ALA 277.A O no hydrogen 2.642 N/A VAL 282.A N VAL 278.A O no hydrogen 3.028 N/A PHE 283.A N TYR 279.A O no hydrogen 2.795 N/A LYS 287.A NZ GLU 276.A OE2 no hydrogen 2.706 N/A ILE 295.A N TYR 291.A O no hydrogen 2.785 N/A ALA 296.A N ALA 292.A O no hydrogen 2.828 N/A GLN 297.A N GLU 293.A O no hydrogen 3.271 N/A ALA 298.A N GLU 294.A O no hydrogen 2.866 N/A TRP 299.A N ILE 295.A O no hydrogen 3.386 N/A GLU 300.A N ALA 296.A O no hydrogen 2.858 N/A SER 301.A N GLN 297.A O no hydrogen 2.815 N/A GLY 302.A N ALA 298.A O no hydrogen 2.643 N/A ALA 309.A N LEU 305.A O no hydrogen 2.848 N/A ARG 310.A N GLU 306.A O no hydrogen 2.940 N/A ARG 310.A NH1 GLU 314.A OE2 no hydrogen 3.381 N/A TYR 311.A N ARG 307.A O no hydrogen 2.991 N/A SER 312.A N VAL 308.A O no hydrogen 3.394 N/A MET 313.A N ALA 309.A O no hydrogen 2.945 N/A GLU 314.A N ARG 310.A O no hydrogen 2.771 N/A ASP 315.A N TYR 311.A O no hydrogen 2.729 N/A ALA 316.A N SER 312.A O no hydrogen 3.338 N/A LYS 317.A N MET 313.A O no hydrogen 3.037 N/A VAL 318.A N GLU 314.A O no hydrogen 2.801 N/A THR 319.A N ASP 315.A O no hydrogen 2.961 N/A THR 319.A OG1 ASP 315.A O no hydrogen 2.679 N/A TYR 320.A N ALA 316.A O no hydrogen 2.856 N/A GLU 321.A N LYS 317.A O no hydrogen 3.131 N/A LEU 322.A N VAL 318.A O no hydrogen 2.788 N/A GLY 323.A N THR 319.A O no hydrogen 2.912 N/A ARG 324.A N TYR 320.A O no hydrogen 2.878 N/A GLU 325.A N LEU 322.A O no hydrogen 3.128 N/A PHE 326.A N LEU 322.A O no hydrogen 3.019 N/A PHE 326.A N GLY 323.A O no hydrogen 3.211 N/A PHE 327.A N GLY 323.A O no hydrogen 2.755 N/A GLU 330.A N PHE 326.A O no hydrogen 3.351 N/A ALA 331.A N PHE 327.A O no hydrogen 2.899 N/A ALA 331.A N PRO 328.A O no hydrogen 3.242 N/A GLN 332.A N PRO 328.A O no hydrogen 3.273 N/A LEU 333.A N MET 329.A O no hydrogen 3.110 N/A SER 334.A N GLU 330.A O no hydrogen 3.427 N/A ARG 335.A N ALA 331.A O no hydrogen 3.143 N/A LEU 336.A N GLN 332.A O no hydrogen 2.997 N/A ILE 337.A N LEU 333.A O no hydrogen 2.968 N/A GLY 338.A N SER 334.A O no hydrogen 2.926 N/A SER 340.A OG ASP 4.A OD2 no hydrogen 3.551 N/A SER 340.A OG ASP 343.A OD2 no hydrogen 3.044 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 3.081 N/A ASP 343.A N SER 340.A OG no hydrogen 3.259 N/A VAL 344.A N SER 340.A O no hydrogen 2.976 N/A SER 345.A N LEU 341.A O no hydrogen 2.965 N/A SER 345.A OG LEU 341.A O no hydrogen 2.473 N/A ARG 346.A N ASP 343.A O no hydrogen 2.910 N/A ARG 346.A NE ASP 212.A OD1 no hydrogen 3.333 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 2.838 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.456 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 2.816 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 3.185 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 2.775 N/A SER 347.A OG ASP 343.A O no hydrogen 2.595 N/A ASN 351.A N SER 348.A O no hydrogen 3.063 N/A ASN 351.A N SER 348.A OG no hydrogen 3.425 N/A LEU 352.A N SER 348.A O no hydrogen 2.927 N/A VAL 353.A N THR 349.A O no hydrogen 3.000 N/A TRP 355.A N ASN 351.A O no hydrogen 2.909 N/A PHE 356.A N LEU 352.A O no hydrogen 3.112 N/A LEU 357.A N VAL 353.A O no hydrogen 2.943 N/A LEU 358.A N GLU 354.A O no hydrogen 2.867 N/A ARG 359.A N TRP 355.A O no hydrogen 3.200 N/A ARG 359.A NE GLY 338.A O no hydrogen 3.293 N/A ARG 359.A NH1 LEU 121.A O no hydrogen 3.431 N/A ARG 359.A NH2 LEU 121.A O no hydrogen 2.906 N/A ARG 359.A NH2 LEU 126.A O no hydrogen 3.082 N/A ARG 359.A NH2 GLY 338.A O no hydrogen 2.873 N/A LYS 360.A N PHE 356.A O no hydrogen 3.355 N/A ALA 361.A N LEU 357.A O no hydrogen 2.617 N/A TYR 362.A N LEU 358.A O no hydrogen 3.330 N/A LYS 363.A N ARG 359.A O no hydrogen 3.393 N/A ARG 364.A N ALA 361.A O no hydrogen 3.124 N/A ARG 364.A NH1 LYS 360.A O no hydrogen 3.543 N/A ASN 365.A N TYR 362.A O no hydrogen 3.141 N/A ASN 365.A ND2 GLN 72.A OE1 no hydrogen 3.540 N/A GLU 366.A N ALA 361.A O no hydrogen 2.791 N/A LEU 367.A N LYS 74.A O no hydrogen 3.010 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 2.625 N/A GLU 376.A N ASP 373.A O no hydrogen 3.117 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 2.721 N/A LEU 377.A N ASP 373.A O no hydrogen 3.130 N/A ARG 379.A N GLU 376.A O no hydrogen 2.799 N/A ARG 380.A N GLU 376.A O no hydrogen 3.117 N/A ARG 380.A N LEU 377.A O no hydrogen 3.133 N/A ARG 380.A NH1 ALA 500.A O no hydrogen 2.707 N/A ARG 380.A NH1 ALA 502.A O no hydrogen 3.050 N/A ARG 381.A N ALA 378.A O no hydrogen 3.327 N/A TYR 384.A OH TYR 494.A OH no hydrogen 3.011 N/A LYS 390.A N ALA 539.A O no hydrogen 2.770 N/A GLU 393.A N LEU 537.A O no hydrogen 2.701 N/A ARG 394.A NH2 GLU 391.A OE2 no hydrogen 2.840 N/A TRP 397.A N GLY 586.A O no hydrogen 2.858 N/A TRP 397.A NE1 GLU 393.A O no hydrogen 3.049 N/A ASN 399.A N VAL 584.A O no hydrogen 2.779 N/A ASN 399.A ND2 ALA 551.A O no hydrogen 3.427 N/A ILE 400.A N TYR 583.A O no hydrogen 2.989 N/A VAL 401.A N ALA 546.A O no hydrogen 2.925 N/A TYR 402.A N GLY 581.A O no hydrogen 2.875 N/A LEU 403.A N LEU 544.A O no hydrogen 2.971 N/A ASP 404.A N GLU 578.A O no hydrogen 3.030 N/A PHE 405.A N ASP 542.A O no hydrogen 2.717 N/A ARG 406.A N GLU 576.A O no hydrogen 3.152 N/A SER 411.A N SER 407.A O no hydrogen 2.941 N/A SER 411.A OG ARG 406.A O no hydrogen 3.441 N/A SER 411.A OG SER 407.A O no hydrogen 2.677 N/A SER 411.A OG LEU 574.A O no hydrogen 3.458 N/A ILE 412.A N LEU 408.A O no hydrogen 2.970 N/A ILE 413.A N TYR 409.A O no hydrogen 2.905 N/A ILE 414.A N PRO 410.A O no hydrogen 2.886 N/A THR 415.A N SER 411.A O no hydrogen 2.775 N/A THR 415.A OG1 SER 411.A O no hydrogen 2.732 N/A HIS 416.A N ILE 412.A O no hydrogen 2.965 N/A HIS 416.A NE2 TYR 520.A OH no hydrogen 3.009 N/A ASN 417.A N ILE 414.A O no hydrogen 3.031 N/A ASN 417.A ND2 CYS 442.A O no hydrogen 2.978 N/A ASN 417.A ND2 PHE 445.A O no hydrogen 2.842 N/A VAL 418.A N ILE 413.A O no hydrogen 3.056 N/A SER 419.A OG ASP 421.A OD1 no hydrogen 2.589 N/A THR 422.A N SER 419.A O no hydrogen 3.093 N/A THR 422.A OG1 ASN 417.A O no hydrogen 2.900 N/A THR 422.A OG1 SER 419.A O no hydrogen 2.783 N/A ASN 424.A N LYS 440.A O no hydrogen 2.739 N/A ARG 425.A NE ASP 421.A O no hydrogen 3.494 N/A CYS 428.A N TYR 431.A OH no hydrogen 2.840 N/A LYS 429.A N ASP 444.A OD2 no hydrogen 2.714 N/A GLU 430.A N ASP 444.A OD1 no hydrogen 3.227 N/A TYR 431.A OH ARG 425.A O no hydrogen 2.778 N/A ASP 432.A N PHE 441.A O no hydrogen 2.905 N/A ALA 434.A N HIS 439.A O no hydrogen 2.824 N/A PHE 441.A N ASP 432.A O no hydrogen 2.816 N/A CYS 442.A N THR 422.A O no hydrogen 3.050 N/A LYS 443.A N GLU 430.A O no hydrogen 2.968 N/A GLY 447.A N ASN 417.A OD1 no hydrogen 2.946 N/A PHE 448.A N ASP 421.A OD2 no hydrogen 2.982 N/A SER 451.A N GLY 447.A O no hydrogen 2.861 N/A LEU 452.A N PHE 448.A O no hydrogen 3.336 N/A LEU 453.A N ILE 449.A O no hydrogen 2.836 N/A GLY 454.A N PRO 450.A O no hydrogen 2.776 N/A ASP 455.A N SER 451.A O no hydrogen 3.297 N/A LEU 456.A N LEU 452.A O no hydrogen 3.000 N/A LEU 457.A N LEU 453.A O no hydrogen 3.221 N/A GLU 458.A N GLY 454.A O no hydrogen 2.590 N/A GLU 459.A N ASP 455.A O no hydrogen 2.699 N/A ARG 460.A N LEU 456.A O no hydrogen 2.858 N/A ARG 460.A NE GLN 483.A O no hydrogen 2.888 N/A ARG 460.A NE GLN 483.A OE1 no hydrogen 2.779 N/A ILE 463.A N GLU 459.A O no hydrogen 2.916 N/A LYS 464.A N ARG 460.A O no hydrogen 3.110 N/A ARG 465.A N GLN 461.A O no hydrogen 3.086 N/A LYS 466.A N LYS 462.A O no hydrogen 3.014 N/A MET 467.A N ILE 463.A O no hydrogen 2.860 N/A ALA 469.A N ARG 465.A O no hydrogen 3.411 N/A THR 470.A N LYS 466.A O no hydrogen 2.942 N/A LEU 474.A N ASP 472.A OD1 no hydrogen 3.404 N/A GLU 475.A N ASP 472.A OD2 no hydrogen 3.279 N/A LYS 476.A N ASP 472.A O no hydrogen 3.145 N/A LYS 477.A N PRO 473.A O no hydrogen 3.044 N/A LEU 478.A N LEU 474.A O no hydrogen 2.876 N/A LEU 479.A N GLU 475.A O no hydrogen 2.640 N/A ASP 480.A N LYS 476.A O no hydrogen 3.316 N/A TYR 481.A N LYS 477.A O no hydrogen 3.094 N/A ARG 482.A N LEU 478.A O no hydrogen 3.340 N/A ARG 482.A NH1 GLU 459.A OE2 no hydrogen 3.311 N/A GLN 483.A N LEU 479.A O no hydrogen 3.093 N/A GLN 483.A NE2 ASP 480.A OD1 no hydrogen 3.084 N/A ARG 484.A N ASP 480.A O no hydrogen 2.921 N/A LEU 485.A N TYR 481.A O no hydrogen 2.919 N/A ILE 486.A N ARG 482.A O no hydrogen 2.906 N/A LYS 487.A N GLN 483.A O no hydrogen 3.409 N/A ILE 488.A N ARG 484.A O no hydrogen 3.368 N/A LEU 489.A N LEU 485.A O no hydrogen 2.988 N/A ALA 490.A N ILE 486.A O no hydrogen 2.804 N/A ASN 491.A N LYS 487.A O no hydrogen 3.011 N/A ASN 491.A ND2 LYS 487.A O no hydrogen 2.398 N/A SER 492.A N LEU 489.A O no hydrogen 3.313 N/A SER 492.A OG ILE 488.A O no hydrogen 2.714 N/A TYR 494.A OH TYR 384.A OH no hydrogen 3.011 N/A TYR 496.A N SER 492.A O no hydrogen 3.005 N/A TYR 496.A OH GLU 354.A OE1 no hydrogen 2.585 N/A TYR 497.A N PHE 493.A O no hydrogen 3.347 N/A TYR 497.A OH VAL 418.A O no hydrogen 3.030 N/A GLY 498.A N GLY 495.A O no hydrogen 3.087 N/A ALA 502.A N TYR 499.A O no hydrogen 3.171 N/A ARG 503.A N GLU 354.A OE1 no hydrogen 2.829 N/A ARG 503.A NH1 ASP 113.A OD1 no hydrogen 3.172 N/A ARG 503.A NH2 ASP 113.A OD1 no hydrogen 2.891 N/A CYS 506.A N TYR 497.A O no hydrogen 3.063 N/A ALA 510.A N CYS 506.A O no hydrogen 3.227 N/A GLU 511.A N LYS 507.A O no hydrogen 2.821 N/A SER 512.A N GLU 508.A O no hydrogen 3.124 N/A SER 512.A OG GLU 508.A O no hydrogen 2.627 N/A VAL 513.A N CYS 509.A O no hydrogen 3.048 N/A THR 514.A N ALA 510.A O no hydrogen 3.269 N/A THR 514.A OG1 ALA 385.A O no hydrogen 3.058 N/A THR 514.A OG1 ALA 510.A O no hydrogen 3.356 N/A THR 514.A OG1 GLU 511.A O no hydrogen 2.590 N/A ALA 515.A N GLU 511.A O no hydrogen 3.056 N/A TRP 516.A N SER 512.A O no hydrogen 2.976 N/A GLY 517.A N VAL 513.A O no hydrogen 2.905 N/A ARG 518.A N THR 514.A O no hydrogen 2.769 N/A ARG 518.A NH1 ALA 385.A O no hydrogen 3.344 N/A ARG 518.A NH1 GLY 386.A O no hydrogen 2.413 N/A ARG 518.A NH1 THR 514.A OG1 no hydrogen 3.374 N/A GLU 519.A N ALA 515.A O no hydrogen 3.040 N/A TYR 520.A N TRP 516.A O no hydrogen 3.016 N/A TYR 520.A OH HIS 416.A NE2 no hydrogen 3.009 N/A ILE 521.A N GLY 517.A O no hydrogen 3.091 N/A GLU 522.A N ARG 518.A O no hydrogen 2.995 N/A MET 523.A N GLU 519.A O no hydrogen 2.915 N/A VAL 524.A N TYR 520.A O no hydrogen 3.090 N/A ILE 525.A N ILE 521.A O no hydrogen 3.135 N/A ARG 526.A N GLU 522.A O no hydrogen 3.028 N/A GLU 527.A N MET 523.A O no hydrogen 3.293 N/A LEU 528.A N VAL 524.A O no hydrogen 3.013 N/A GLU 529.A N ILE 525.A O no hydrogen 3.064 N/A GLU 530.A N ARG 526.A O no hydrogen 2.948 N/A PHE 534.A N LEU 528.A O no hydrogen 3.327 N/A LYS 535.A N THR 547.A O no hydrogen 2.742 N/A LEU 537.A N HIS 545.A O no hydrogen 2.906 N/A TYR 538.A N HIS 545.A O no hydrogen 3.422 N/A THR 541.A N ASP 540.A OD1 no hydrogen 2.708 N/A THR 541.A OG1 ASP 540.A OD1 no hydrogen 3.278 N/A GLY 543.A N ASP 540.A O no hydrogen 3.357 N/A LEU 544.A N LEU 403.A O no hydrogen 2.754 N/A HIS 545.A N TYR 538.A O no hydrogen 2.792 N/A ALA 546.A N VAL 401.A O no hydrogen 3.411 N/A THR 547.A OG1 ASP 398.A O no hydrogen 3.385 N/A THR 547.A OG1 ASN 399.A O no hydrogen 2.822 N/A ALA 551.A N ILE 548.A O no hydrogen 2.936 N/A VAL 556.A N ASP 552.A O no hydrogen 3.209 N/A LYS 557.A N ALA 553.A O no hydrogen 3.203 N/A LYS 558.A N GLU 554.A O no hydrogen 2.951 N/A LYS 559.A N THR 555.A O no hydrogen 2.827 N/A ALA 560.A N VAL 556.A O no hydrogen 3.086 N/A LYS 561.A N LYS 557.A O no hydrogen 2.999 N/A GLU 562.A N LYS 558.A O no hydrogen 2.950 N/A PHE 563.A N LYS 559.A O no hydrogen 3.016 N/A PHE 563.A N ALA 560.A O no hydrogen 3.168 N/A LEU 564.A N ALA 560.A O no hydrogen 3.281 N/A TYR 566.A N GLU 562.A O no hydrogen 3.311 N/A TYR 566.A OH GLU 527.A OE1 no hydrogen 3.272 N/A TYR 566.A OH GLU 527.A OE2 no hydrogen 2.872 N/A ILE 567.A N PHE 563.A O no hydrogen 2.870 N/A ASN 568.A N LEU 564.A O no hydrogen 3.230 N/A ASN 568.A ND2 LEU 577.A O no hydrogen 3.075 N/A LYS 570.A N ILE 567.A O no hydrogen 2.823 N/A LEU 571.A N ILE 567.A O no hydrogen 3.184 N/A LEU 571.A N ASN 568.A O no hydrogen 3.059 N/A LEU 574.A N THR 415.A OG1 no hydrogen 3.051 N/A LEU 575.A N PRO 572.A O no hydrogen 3.145 N/A LEU 577.A N ASN 568.A OD1 no hydrogen 2.740 N/A GLU 578.A N ASP 404.A O no hydrogen 2.800 N/A GLU 580.A N TYR 402.A O no hydrogen 2.996 N/A GLY 581.A N TYR 402.A O no hydrogen 3.368 N/A TYR 583.A N ILE 400.A O no hydrogen 2.843 N/A VAL 584.A N ILE 597.A O no hydrogen 2.951 N/A ARG 585.A NH1 LEU 631.A O no hydrogen 2.569 N/A ARG 585.A NH2 LEU 631.A O no hydrogen 2.862 N/A GLY 586.A N TRP 397.A O no hydrogen 2.793 N/A PHE 587.A N ALA 595.A O no hydrogen 2.659 N/A VAL 589.A N LYS 593.A O no hydrogen 3.087 N/A THR 590.A N LYS 593.A O no hydrogen 3.128 N/A THR 590.A OG1 LYS 591.A O no hydrogen 3.145 N/A LYS 591.A NZ VAL 389.A O no hydrogen 3.300 N/A LYS 591.A NZ GLU 391.A OE1 no hydrogen 3.461 N/A LYS 592.A N TYR 538.A OH no hydrogen 3.021 N/A LYS 592.A NZ ASP 540.A OD1 no hydrogen 3.517 N/A LYS 592.A NZ ASP 540.A OD2 no hydrogen 2.882 N/A LYS 593.A N THR 590.A O no hydrogen 3.274 N/A TYR 594.A N ARG 606.A O no hydrogen 2.911 N/A ALA 595.A N PHE 587.A O no hydrogen 2.761 N/A VAL 596.A N THR 604.A O no hydrogen 2.895 N/A ILE 597.A N ARG 585.A O no hydrogen 3.087 N/A ASP 598.A N LYS 602.A O no hydrogen 3.238 N/A GLY 601.A N ASP 598.A OD1 no hydrogen 2.945 N/A LYS 602.A N ASP 598.A OD1 no hydrogen 2.499 N/A THR 604.A N VAL 596.A O no hydrogen 2.575 N/A ARG 606.A N TYR 594.A O no hydrogen 2.910 N/A GLU 609.A N GLU 609.A OE1 no hydrogen 2.653 N/A ILE 610.A N GLN 623.A OE1 no hydrogen 3.117 N/A VAL 611.A N LEU 608.A O no hydrogen 2.942 N/A SER 616.A N GLN 736.A OE1 no hydrogen 2.935 N/A SER 616.A OG GLN 736.A OE1 no hydrogen 2.708 N/A ILE 618.A N LYS 659.A O no hydrogen 3.215 N/A LYS 620.A N SER 616.A O no hydrogen 3.098 N/A LYS 620.A NZ ARG 612.A O no hydrogen 3.064 N/A GLU 621.A N GLU 617.A O no hydrogen 2.741 N/A THR 622.A N ILE 618.A O no hydrogen 2.793 N/A THR 622.A OG1 ILE 618.A O no hydrogen 2.499 N/A GLN 623.A N ALA 619.A O no hydrogen 3.047 N/A GLN 623.A NE2 GLU 609.A OE1 no hydrogen 2.708 N/A GLN 623.A NE2 ALA 740.A O no hydrogen 2.762 N/A ALA 624.A N LYS 620.A O no hydrogen 3.303 N/A ARG 625.A N GLU 621.A O no hydrogen 2.962 N/A VAL 626.A N THR 622.A O no hydrogen 3.258 N/A LEU 627.A N GLN 623.A O no hydrogen 2.670 N/A GLU 628.A N ALA 624.A O no hydrogen 2.855 N/A ALA 629.A N ARG 625.A O no hydrogen 3.229 N/A ILE 630.A N VAL 626.A O no hydrogen 3.125 N/A LEU 631.A N LEU 627.A O no hydrogen 3.035 N/A LYS 632.A N GLU 628.A O no hydrogen 2.702 N/A LYS 632.A NZ GLY 601.A O no hydrogen 2.991 N/A HIS 633.A N GLU 628.A O no hydrogen 3.394 N/A GLY 634.A N ALA 629.A O no hydrogen 2.554 N/A GLU 638.A N ASP 635.A OD1 no hydrogen 2.735 N/A VAL 640.A N VAL 636.A O no hydrogen 3.354 N/A ARG 641.A N GLU 637.A O no hydrogen 2.966 N/A ILE 642.A N GLU 638.A O no hydrogen 2.742 N/A VAL 643.A N ALA 639.A O no hydrogen 2.975 N/A LYS 644.A N VAL 640.A O no hydrogen 3.399 N/A GLU 645.A N ARG 641.A O no hydrogen 3.005 N/A VAL 646.A N ILE 642.A O no hydrogen 3.323 N/A THR 647.A N VAL 643.A O no hydrogen 2.745 N/A THR 647.A OG1 VAL 643.A O no hydrogen 2.550 N/A GLU 648.A N LYS 644.A O no hydrogen 2.873 N/A LYS 649.A N GLU 645.A O no hydrogen 2.982 N/A LEU 650.A N VAL 646.A O no hydrogen 3.340 N/A SER 651.A N THR 647.A O no hydrogen 3.425 N/A SER 651.A OG THR 647.A O no hydrogen 2.938 N/A SER 651.A OG GLU 648.A O no hydrogen 2.730 N/A LYS 652.A N GLU 648.A O no hydrogen 2.950 N/A TYR 653.A N LEU 650.A O no hydrogen 3.084 N/A GLU 654.A N LYS 649.A O no hydrogen 2.891 N/A VAL 655.A N TYR 727.A OH no hydrogen 3.094 N/A LYS 659.A N PRO 656.A O no hydrogen 3.400 N/A LEU 660.A N PRO 657.A O no hydrogen 2.859 N/A ILE 662.A N TYR 701.A O no hydrogen 2.953 N/A GLU 664.A N ILE 699.A O no hydrogen 3.107 N/A ILE 666.A N THR 697.A O no hydrogen 3.068 N/A THR 667.A N TYR 673.A OH no hydrogen 2.802 N/A ASP 672.A N ASP 669.A O no hydrogen 2.693 N/A VAL 680.A N GLY 677.A O no hydrogen 2.930 N/A ALA 681.A N GLY 677.A O no hydrogen 3.073 N/A VAL 682.A N PRO 678.A O no hydrogen 2.751 N/A ALA 683.A N HIS 679.A O no hydrogen 2.944 N/A LYS 684.A N VAL 680.A O no hydrogen 2.862 N/A LEU 686.A N VAL 682.A O no hydrogen 3.215 N/A ALA 687.A N ALA 683.A O no hydrogen 3.000 N/A ALA 688.A N LYS 684.A O no hydrogen 3.189 N/A ARG 689.A N LEU 686.A O no hydrogen 3.252 N/A GLY 690.A N ALA 687.A O no hydrogen 3.018 N/A VAL 691.A N LEU 686.A O no hydrogen 3.387 N/A ARG 694.A N THR 697.A OG1 no hydrogen 3.175 N/A GLY 696.A N ILE 666.A O no hydrogen 3.362 N/A THR 697.A N ARG 694.A O no hydrogen 2.994 N/A THR 697.A OG1 ARG 694.A O no hydrogen 2.601 N/A ILE 699.A N GLU 664.A O no hydrogen 3.256 N/A SER 700.A OG HIS 663.A ND1 no hydrogen 3.032 N/A TYR 701.A N ILE 662.A O no hydrogen 3.117 N/A ILE 702.A N ILE 715.A O no hydrogen 3.185 N/A VAL 703.A N TYR 732.A OH no hydrogen 3.501 N/A LEU 704.A N ARG 713.A O no hydrogen 2.733 N/A ARG 713.A N ILE 710.A O no hydrogen 3.397 N/A ARG 713.A NE SER 707.A O no hydrogen 3.073 N/A ARG 713.A NH1 ASP 728.A OD2 no hydrogen 2.811 N/A ARG 713.A NH2 ASP 728.A OD2 no hydrogen 2.954 N/A ILE 715.A N ILE 702.A O no hydrogen 3.218 N/A PHE 720.A N PRO 716.A O no hydrogen 2.733 N/A HIS 725.A ND1 ASP 721.A O no hydrogen 3.237 N/A ARG 726.A N PRO 722.A O no hydrogen 3.354 N/A TYR 727.A OH VAL 655.A O no hydrogen 3.131 N/A ASP 728.A N VAL 703.A O no hydrogen 3.047 N/A ALA 729.A N TYR 727.A O no hydrogen 2.861 N/A TYR 731.A N ASP 728.A OD1 no hydrogen 3.370 N/A TYR 732.A N ASP 728.A O no hydrogen 3.302 N/A TYR 732.A OH LEU 660.A O no hydrogen 2.484 N/A ILE 733.A N GLU 730.A O no hydrogen 2.872 N/A GLU 734.A N GLU 730.A O no hydrogen 2.643 N/A ASN 735.A N TYR 731.A O no hydrogen 2.649 N/A GLN 736.A NE2 TYR 731.A OH no hydrogen 3.395 N/A VAL 737.A N TYR 732.A O no hydrogen 3.128 N/A LEU 738.A N ILE 733.A O no hydrogen 3.383 N/A ALA 740.A N GLN 736.A O no hydrogen 3.365 N/A VAL 741.A N VAL 737.A O no hydrogen 3.163 N/A GLU 742.A N LEU 738.A O no hydrogen 2.667 N/A ARG 743.A N PRO 739.A O no hydrogen 3.254 N/A ARG 743.A NE GLU 609.A OE2 no hydrogen 2.489 N/A ILE 744.A N VAL 741.A O no hydrogen 3.154 N/A LEU 745.A N VAL 741.A O no hydrogen 3.201 N/A ALA 747.A N ILE 744.A O no hydrogen 3.456 N/A PHE 748.A N LEU 745.A O no hydrogen 3.359 N/A GLY 749.A N LYS 746.A O no hydrogen 2.977 N/A