Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s9u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 204.A OG no hydrogen 2.951 N/A ILE 6.A N ALA 156.A O no hydrogen 2.873 N/A THR 7.A N LYS 202.A O no hydrogen 2.611 N/A ILE 8.A N LEU 154.A O no hydrogen 2.660 N/A THR 9.A N GLU 200.A O no hydrogen 2.794 N/A MET 10.A N ALA 152.A O no hydrogen 2.787 N/A GLN 11.A N ARG 198.A O no hydrogen 2.825 N/A SER 12.A N ARG 198.A O no hydrogen 3.437 N/A SER 12.A OG ASP 13.A O no hydrogen 3.492 N/A SER 12.A OG GLY 195.A O no hydrogen 2.888 N/A TRP 14.A N VAL 148.A O no hydrogen 2.907 N/A HIS 15.A ND1 GLU 146.A O no hydrogen 2.417 N/A LEU 25.A N ARG 22.A O no hydrogen 3.427 N/A ASP 26.A N PHE 144.A O no hydrogen 2.770 N/A VAL 28.A N MET 20.A O no hydrogen 2.475 N/A VAL 29.A N GLU 146.A OE2 no hydrogen 3.002 N/A GLN 30.A N VAL 16.A O no hydrogen 3.118 N/A ARG 31.A NH1 ASN 35.A O no hydrogen 2.350 N/A ARG 31.A NH1 GLN 118.A O no hydrogen 3.078 N/A ARG 31.A NH2 GLN 118.A O no hydrogen 2.986 N/A ARG 31.A NH2 GLU 146.A OE1 no hydrogen 3.361 N/A ASP 32.A N LEU 36.A O no hydrogen 2.785 N/A ASP 34.A N ASP 32.A OD1 no hydrogen 2.948 N/A ASN 35.A N ASP 32.A O no hydrogen 3.056 N/A LEU 36.A N ASP 32.A OD1 no hydrogen 2.768 N/A ILE 39.A N ALA 101.A O no hydrogen 2.956 N/A GLY 41.A N SER 100.A OG no hydrogen 3.117 N/A LYS 42.A N GLN 451.A OE1 no hydrogen 3.501 N/A LYS 42.A NZ TYR 402.A OH no hydrogen 2.816 N/A LEU 44.A N PRO 40.A O no hydrogen 2.886 N/A THR 45.A N GLY 41.A O no hydrogen 2.860 N/A THR 45.A OG1 GLY 41.A O no hydrogen 2.611 N/A THR 45.A OG1 LYS 42.A O no hydrogen 2.873 N/A GLY 46.A N LYS 42.A O no hydrogen 2.965 N/A ILE 47.A N THR 43.A O no hydrogen 2.820 N/A LEU 48.A N LEU 44.A O no hydrogen 2.973 N/A ARG 49.A N THR 45.A O no hydrogen 2.749 N/A ARG 49.A NE GLU 53.A OE2 no hydrogen 3.390 N/A ARG 49.A NH1 GLY 77.A O no hydrogen 3.273 N/A ARG 49.A NH2 GLY 77.A O no hydrogen 2.614 N/A ASP 50.A N GLY 46.A O no hydrogen 3.102 N/A SER 51.A N ILE 47.A O no hydrogen 3.146 N/A SER 51.A OG ILE 47.A O no hydrogen 3.302 N/A SER 51.A OG THR 185.A OG1 no hydrogen 2.676 N/A CYS 52.A N LEU 48.A O no hydrogen 3.033 N/A CYS 52.A SG LEU 48.A O no hydrogen 3.229 N/A CYS 52.A SG ILE 177.A O no hydrogen 3.817 N/A GLU 53.A N ARG 49.A O no hydrogen 2.737 N/A GLN 54.A N ASP 50.A O no hydrogen 2.975 N/A VAL 55.A N SER 51.A O no hydrogen 3.193 N/A ALA 56.A N CYS 52.A O no hydrogen 2.857 N/A LEU 57.A N GLU 53.A O no hydrogen 2.820 N/A GLY 58.A N GLN 54.A O no hydrogen 2.926 N/A LEU 59.A N VAL 55.A O no hydrogen 2.857 N/A ASP 60.A N ALA 56.A O no hydrogen 2.759 N/A ASN 61.A N GLY 58.A O no hydrogen 2.948 N/A GLY 62.A N LEU 57.A O no hydrogen 2.699 N/A GLN 63.A N ASP 60.A O no hydrogen 3.292 N/A GLN 63.A NE2 ASP 60.A O no hydrogen 2.776 N/A TRP 68.A N ASP 60.A OD1 no hydrogen 3.204 N/A HIS 69.A N ASP 60.A OD2 no hydrogen 3.224 N/A GLY 70.A N GLY 66.A O no hydrogen 3.152 N/A TRP 71.A N LEU 67.A O no hydrogen 3.239 N/A TRP 71.A NE1 ASP 222.A O no hydrogen 2.882 N/A ILE 72.A N TRP 68.A O no hydrogen 3.157 N/A ASN 73.A N HIS 69.A O no hydrogen 3.093 N/A PHE 74.A N GLY 70.A O no hydrogen 2.803 N/A ILE 75.A N TRP 71.A O no hydrogen 2.911 N/A PHE 76.A N ILE 72.A O no hydrogen 2.780 N/A ASP 78.A N ARG 92.A O no hydrogen 3.179 N/A LEU 82.A N GLN 79.A O no hydrogen 3.040 N/A ILE 87.A N GLY 85.A O no hydrogen 2.829 N/A GLU 90.A N GLU 90.A OE2 no hydrogen 2.593 N/A ARG 92.A N ASP 78.A OD2 no hydrogen 2.950 N/A ARG 92.A NE ASP 78.A OD2 no hydrogen 2.990 N/A ARG 92.A NH2 ASP 78.A OD1 no hydrogen 3.275 N/A LEU 95.A N ILE 75.A O no hydrogen 2.800 N/A ILE 96.A N ILE 75.A O no hydrogen 3.361 N/A ALA 97.A N GLU 159.A O no hydrogen 2.793 N/A GLY 99.A N GLU 157.A O no hydrogen 2.854 N/A ALA 101.A N ILE 39.A O no hydrogen 2.777 N/A HIS 102.A N THR 155.A O no hydrogen 3.256 N/A LEU 107.A N ASP 104.A OD2 no hydrogen 3.050 N/A LYS 108.A N ASP 104.A O no hydrogen 2.857 N/A LYS 108.A NZ ASP 32.A OD2 no hydrogen 3.149 N/A LYS 108.A NZ ASP 34.A OD1 no hydrogen 2.916 N/A ALA 109.A N PRO 105.A O no hydrogen 3.041 N/A ALA 110.A N LYS 106.A O no hydrogen 3.110 N/A PHE 111.A N LYS 108.A O no hydrogen 3.167 N/A GLN 112.A N ALA 109.A O no hydrogen 3.181 N/A GLN 112.A NE2 ASP 34.A OD2 no hydrogen 2.819 N/A LYS 114.A N PHE 111.A O no hydrogen 2.810 N/A LYS 114.A NZ SER 726.A O no hydrogen 3.047 N/A LYS 114.A NZ THR 729.A O no hydrogen 2.798 N/A LYS 115.A NZ GLU 119.A OE2 no hydrogen 3.203 N/A LEU 117.A N LYS 114.A O no hydrogen 2.833 N/A GLN 118.A N LYS 114.A O no hydrogen 3.064 N/A GLN 118.A NE2 PHE 111.A O no hydrogen 3.328 N/A GLU 119.A N LYS 115.A O no hydrogen 3.197 N/A ALA 120.A N GLN 116.A O no hydrogen 3.211 N/A ILE 121.A N LEU 117.A O no hydrogen 3.224 N/A ALA 122.A N GLU 119.A O no hydrogen 3.246 N/A PHE 123.A N VAL 147.A O no hydrogen 2.852 N/A LYS 125.A N GLU 145.A O no hydrogen 2.775 N/A GLY 127.A N ARG 143.A O no hydrogen 2.765 N/A ALA 129.A N PHE 141.A O no hydrogen 3.115 N/A ASP 131.A N THR 136.A O no hydrogen 2.547 N/A ILE 133.A N ASP 131.A OD1 no hydrogen 3.142 N/A THR 134.A N ASP 131.A OD1 no hydrogen 3.434 N/A THR 134.A OG1 THR 136.A OG1 no hydrogen 2.803 N/A GLY 135.A N ASP 131.A O no hydrogen 2.743 N/A THR 136.A N THR 134.A OG1 no hydrogen 3.152 N/A THR 136.A OG1 THR 134.A OG1 no hydrogen 2.803 N/A LYS 138.A N ALA 129.A O no hydrogen 2.745 N/A LEU 142.A N ASP 140.A O no hydrogen 2.871 N/A ARG 143.A N GLY 127.A O no hydrogen 2.724 N/A PHE 144.A N ASP 26.A OD2 no hydrogen 3.272 N/A GLU 145.A N LYS 125.A O no hydrogen 2.999 N/A GLU 146.A N SER 27.A O no hydrogen 2.854 N/A VAL 147.A N PHE 123.A O no hydrogen 2.863 N/A VAL 148.A N TRP 14.A O no hydrogen 2.701 N/A ARG 149.A N ILE 121.A O no hydrogen 3.087 N/A ARG 149.A NE ALA 120.A O no hydrogen 2.645 N/A ARG 149.A NH2 ALA 120.A O no hydrogen 3.119 N/A LEU 150.A N ASP 13.A OD1 no hydrogen 2.846 N/A GLY 151.A N MET 10.A O no hydrogen 2.735 N/A LEU 154.A N ILE 8.A O no hydrogen 2.721 N/A THR 155.A N HIS 102.A O no hydrogen 3.189 N/A THR 155.A OG1 GLU 5.A OE2 no hydrogen 2.812 N/A THR 155.A OG1 ILE 6.A O no hydrogen 3.375 N/A ALA 156.A N ILE 6.A O no hydrogen 2.889 N/A GLU 157.A N GLU 157.A OE2 no hydrogen 2.778 N/A VAL 158.A N ILE 4.A O no hydrogen 3.001 N/A GLU 159.A N ALA 97.A O no hydrogen 2.857 N/A ASN 161.A N LEU 95.A O no hydrogen 3.035 N/A ASN 161.A ND2 ASN 161.A O no hydrogen 2.559 N/A ASN 165.A ND2 ASP 164.A OD1 no hydrogen 2.925 N/A LEU 166.A N PRO 163.A O no hydrogen 3.356 N/A ASN 170.A N SER 167.A OG no hydrogen 3.154 N/A LYS 171.A N SER 167.A O no hydrogen 2.782 N/A LYS 171.A NZ GLU 168.A OE2 no hydrogen 2.829 N/A LYS 172.A N GLU 168.A O no hydrogen 3.101 N/A VAL 173.A N THR 169.A O no hydrogen 2.936 N/A ILE 174.A N ASN 170.A O no hydrogen 3.114 N/A ALA 175.A N LYS 171.A O no hydrogen 2.976 N/A GLY 176.A N LYS 172.A O no hydrogen 2.914 N/A ILE 177.A N VAL 173.A O no hydrogen 2.894 N/A LEU 178.A N ILE 174.A O no hydrogen 2.969 N/A ALA 179.A N ALA 175.A O no hydrogen 2.861 N/A SER 180.A N GLY 176.A O no hydrogen 2.848 N/A SER 180.A OG GLY 176.A O no hydrogen 2.491 N/A GLY 181.A N ILE 177.A O no hydrogen 2.777 N/A ALA 182.A N LEU 178.A O no hydrogen 2.960 N/A LYS 183.A N ALA 179.A O no hydrogen 3.161 N/A LYS 183.A NZ ASP 208.A OD2 no hydrogen 2.335 N/A LEU 184.A N SER 180.A O no hydrogen 2.876 N/A THR 185.A N ALA 182.A O no hydrogen 3.074 N/A THR 185.A OG1 SER 51.A OG no hydrogen 2.676 N/A THR 185.A OG1 GLY 181.A O no hydrogen 2.705 N/A LEU 188.A N GLY 197.A O no hydrogen 2.843 N/A GLY 190.A N HIS 15.A O no hydrogen 2.830 N/A ARG 192.A NE GLY 189.A O no hydrogen 3.003 N/A ARG 193.A NH2 GLN 392.A OE1 no hydrogen 3.011 N/A ARG 194.A N LYS 191.A O no hydrogen 3.100 N/A ARG 194.A NH1 ARG 193.A O no hydrogen 2.994 N/A ASN 196.A N ARG 194.A O no hydrogen 3.036 N/A ASN 196.A ND2 GLY 190.A O no hydrogen 3.461 N/A GLY 197.A N ASP 13.A O no hydrogen 3.075 N/A ARG 198.A N SER 12.A OG no hydrogen 3.044 N/A ARG 198.A NE GLU 186.A OE2 no hydrogen 3.181 N/A CYS 199.A N GLU 186.A O no hydrogen 2.959 N/A GLU 200.A N THR 9.A O no hydrogen 2.811 N/A LYS 202.A N THR 7.A O no hydrogen 2.774 N/A SER 204.A N GLU 5.A O no hydrogen 2.881 N/A GLN 210.A N SER 207.A O no hydrogen 2.994 N/A GLN 212.A N ASP 208.A O no hydrogen 2.742 N/A GLN 212.A NE2 ASP 216.A OD2 no hydrogen 3.254 N/A TRP 213.A N GLN 209.A O no hydrogen 2.977 N/A LEU 214.A N GLN 210.A O no hydrogen 3.413 N/A LYS 215.A N ILE 211.A O no hydrogen 2.932 N/A ASP 216.A N GLN 212.A O no hydrogen 3.023 N/A ASN 217.A N LEU 214.A O no hydrogen 3.096 N/A ASN 217.A ND2 TRP 213.A O no hydrogen 2.783 N/A TYR 218.A N LEU 214.A O no hydrogen 2.654 N/A GLN 219.A NE2 TYR 218.A OH no hydrogen 3.253 N/A SER 220.A N ASN 217.A O no hydrogen 2.876 N/A SER 220.A OG ASN 217.A O no hydrogen 2.845 N/A SER 234.A OG ASP 293.A OD2 no hydrogen 2.531 N/A GLY 236.A N ASP 293.A OD2 no hydrogen 2.722 N/A ASN 238.A N GLN 296.A OE1 no hydrogen 3.022 N/A ASN 238.A ND2 ASP 293.A O no hydrogen 2.902 N/A GLN 241.A NE2 ASP 302.A OD1 no hydrogen 2.687 N/A GLN 242.A N SER 422.A OG no hydrogen 3.285 N/A HIS 246.A N LEU 419.A O no hydrogen 2.766 N/A HIS 246.A NE2 ASP 421.A OD1 no hydrogen 3.033 N/A ILE 248.A N LEU 417.A O no hydrogen 2.606 N/A LEU 250.A N ALA 415.A O no hydrogen 2.728 N/A THR 251.A N THR 458.A O no hydrogen 2.697 N/A ILE 252.A N PHE 413.A O no hydrogen 2.620 N/A LYS 253.A N GLU 456.A O no hydrogen 2.852 N/A THR 254.A N GLN 411.A O no hydrogen 2.895 N/A THR 254.A OG1 ILE 408.A O no hydrogen 2.802 N/A THR 254.A OG1 GLN 411.A O no hydrogen 3.390 N/A LEU 255.A N LYS 454.A O no hydrogen 2.793 N/A SER 256.A N LYS 454.A O no hydrogen 3.117 N/A VAL 258.A N ILE 407.A O no hydrogen 2.860 N/A ALA 262.A N GLU 270.A O no hydrogen 2.686 N/A VAL 265.A N VAL 268.A O no hydrogen 3.063 N/A ASN 267.A ND2 VAL 401.A O no hydrogen 3.123 N/A VAL 268.A N VAL 265.A O no hydrogen 3.082 N/A VAL 269.A N SER 403.A O no hydrogen 2.914 N/A GLU 270.A N ARG 263.A O no hydrogen 3.016 N/A CYS 271.A N GLU 405.A OE1 no hydrogen 3.149 N/A CYS 271.A SG VAL 258.A O no hydrogen 3.501 N/A CYS 271.A SG LEU 260.A O no hydrogen 3.785 N/A CYS 271.A SG LEU 272.A O no hydrogen 3.186 N/A LEU 272.A N LEU 260.A O no hydrogen 2.835 N/A ILE 275.A N ALA 308.A O no hydrogen 2.986 N/A GLY 277.A N ASN 307.A OD1 no hydrogen 3.378 N/A TYR 279.A N PRO 276.A O no hydrogen 3.242 N/A LEU 280.A N GLY 277.A O no hydrogen 2.936 N/A TYR 283.A OH LEU 438.A O no hydrogen 2.446 N/A ILE 284.A N LEU 280.A O no hydrogen 2.889 N/A HIS 285.A N LEU 281.A O no hydrogen 3.048 N/A LYS 286.A N GLY 282.A O no hydrogen 3.002 N/A THR 287.A N TYR 283.A O no hydrogen 3.037 N/A THR 287.A OG1 TYR 283.A O no hydrogen 2.903 N/A LEU 288.A N ILE 284.A O no hydrogen 3.012 N/A GLY 289.A N HIS 285.A O no hydrogen 3.107 N/A TYR 291.A N LEU 288.A O no hydrogen 2.845 N/A PHE 292.A N LEU 288.A O no hydrogen 3.470 N/A ASP 293.A N ASN 238.A OD1 no hydrogen 2.912 N/A SER 295.A OG ASP 293.A OD1 no hydrogen 2.654 N/A GLN 296.A N ASP 293.A OD1 no hydrogen 2.986 N/A GLN 296.A NE2 GLY 236.A O no hydrogen 3.116 N/A ALA 297.A N ASP 293.A O no hydrogen 2.952 N/A ILE 298.A N VAL 294.A O no hydrogen 2.913 N/A ALA 299.A N SER 295.A O no hydrogen 2.988 N/A ALA 300.A N GLN 296.A O no hydrogen 2.802 N/A GLY 301.A N ILE 298.A O no hydrogen 3.315 N/A ASP 302.A N ALA 297.A O no hydrogen 2.854 N/A ILE 304.A N ARG 418.A O no hydrogen 3.199 N/A ILE 305.A N THR 579.A O no hydrogen 3.133 N/A THR 306.A N GLU 416.A O no hydrogen 3.091 N/A THR 306.A OG1 ASN 307.A O no hydrogen 3.104 N/A ASN 307.A ND2 SER 481.A OG no hydrogen 2.889 N/A ALA 308.A N ILE 275.A O no hydrogen 2.716 N/A THR 309.A N VAL 414.A O no hydrogen 3.346 N/A THR 309.A OG1 GLY 317.A O no hydrogen 2.767 N/A LYS 311.A N THR 412.A O no hydrogen 3.042 N/A ILE 312.A N LYS 315.A O no hydrogen 2.643 N/A LYS 315.A N ILE 312.A O no hydrogen 2.821 N/A GLY 317.A N ILE 310.A O no hydrogen 2.519 N/A ARG 318.A N VAL 361.A O no hydrogen 2.888 N/A ARG 318.A NE GLY 362.A O no hydrogen 3.191 N/A ARG 318.A NH2 GLY 362.A O no hydrogen 2.325 N/A THR 320.A N GLY 359.A O no hydrogen 3.086 N/A THR 320.A OG1 GLY 358.A O no hydrogen 2.793 N/A PHE 322.A N GLY 549.A O no hydrogen 2.886 N/A CYS 323.A SG ASN 341.A OD1 no hydrogen 3.304 N/A LEU 324.A N PRO 321.A O no hydrogen 3.055 N/A PHE 325.A N TYR 340.A O no hydrogen 2.855 N/A GLY 326.A N LYS 354.A O no hydrogen 2.786 N/A GLU 327.A N GLY 338.A O no hydrogen 3.123 N/A LYS 328.A N GLN 352.A O no hydrogen 3.229 N/A GLY 332.A N LYS 337.A O no hydrogen 2.861 N/A LEU 333.A N GLU 356.A OE2 no hydrogen 3.056 N/A GLY 336.A N GLY 332.A O no hydrogen 2.909 N/A TYR 340.A N PHE 325.A O no hydrogen 2.784 N/A TYR 340.A OH GLU 327.A OE2 no hydrogen 2.849 N/A ASN 341.A N GLU 345.A OE1 no hydrogen 2.877 N/A ASN 341.A ND2 LEU 592.A O no hydrogen 2.734 N/A ASN 341.A ND2 ALA 594.A O no hydrogen 2.759 N/A ARG 342.A N CYS 323.A O no hydrogen 3.013 N/A ARG 342.A NE GLU 345.A O no hydrogen 3.267 N/A ARG 342.A NH2 ASP 518.A O no hydrogen 2.623 N/A PHE 343.A N ASN 341.A OD1 no hydrogen 3.072 N/A GLN 344.A N ASN 341.A O no hydrogen 2.805 N/A GLN 344.A NE2 LEU 592.A O no hydrogen 3.264 N/A GLU 345.A N ASN 341.A O no hydrogen 2.823 N/A SER 346.A OG ASP 518.A OD2 no hydrogen 3.428 N/A ILE 351.A N ASP 349.A O no hydrogen 2.712 N/A GLN 352.A N GLN 352.A OE1 no hydrogen 2.482 N/A LEU 353.A N GLU 347.A OE1 no hydrogen 3.185 N/A LYS 354.A N GLY 326.A O no hydrogen 2.905 N/A GLU 356.A N LEU 324.A O no hydrogen 2.901 N/A VAL 361.A N ARG 318.A O no hydrogen 2.664 N/A GLY 362.A N ASN 373.A O no hydrogen 2.463 N/A GLN 363.A N ASP 313.A OD2 no hydrogen 2.688 N/A GLU 365.A N GLN 368.A OE1 no hydrogen 2.946 N/A GLN 368.A N GLU 365.A O no hydrogen 3.012 N/A ARG 369.A NH2 GLU 367.A OE2 no hydrogen 3.047 N/A ASN 370.A ND2 GLN 368.A O no hydrogen 3.035 N/A LEU 371.A N THR 600.A O no hydrogen 3.000 N/A ASN 373.A ND2 ASP 313.A OD1 no hydrogen 2.525 N/A GLY 375.A N TYR 360.A O no hydrogen 2.897 N/A ASN 378.A ND2 GLN 411.A OE1 no hydrogen 3.241 N/A SER 379.A OG ALA 406.A O no hydrogen 2.798 N/A GLU 380.A N ALA 406.A O no hydrogen 2.933 N/A LEU 381.A N GLU 380.A OE2 no hydrogen 2.992 N/A PHE 382.A N TYR 404.A O no hydrogen 2.739 N/A THR 383.A OG1 SER 403.A OG no hydrogen 3.266 N/A HIS 384.A N TYR 402.A O no hydrogen 2.858 N/A HIS 384.A NE2 TYR 452.A OH no hydrogen 2.361 N/A THR 386.A N GLY 400.A O no hydrogen 2.777 N/A GLN 388.A N ARG 393.A O no hydrogen 3.129 N/A GLN 388.A NE2 ASP 390.A OD1 no hydrogen 2.438 N/A GLN 388.A NE2 ASP 390.A OD2 no hydrogen 3.295 N/A VAL 391.A N ASP 390.A OD1 no hydrogen 2.660 N/A GLN 392.A N GLN 388.A O no hydrogen 2.706 N/A GLN 392.A NE2 ASP 50.A OD2 no hydrogen 3.486 N/A GLN 392.A NE2 ASP 389.A O no hydrogen 2.784 N/A ARG 393.A NH1 PRO 394.A O no hydrogen 3.191 N/A THR 395.A OG1 GLN 388.A OE1 no hydrogen 2.481 N/A THR 395.A OG1 ASP 397.A OD1 no hydrogen 3.345 N/A VAL 398.A N THR 395.A O no hydrogen 3.159 N/A GLY 399.A N SER 396.A O no hydrogen 3.142 N/A TYR 402.A N HIS 384.A O no hydrogen 3.124 N/A SER 403.A N ASN 267.A O no hydrogen 2.860 N/A SER 403.A OG THR 383.A OG1 no hydrogen 3.266 N/A TYR 404.A N PHE 382.A O no hydrogen 2.889 N/A GLU 405.A N VAL 269.A O no hydrogen 2.948 N/A ALA 406.A N GLU 380.A O no hydrogen 2.867 N/A ILE 407.A N VAL 258.A O no hydrogen 2.892 N/A ILE 408.A N ASN 378.A O no hydrogen 3.320 N/A GLY 410.A N THR 254.A O no hydrogen 2.721 N/A GLN 411.A N THR 254.A OG1 no hydrogen 2.991 N/A PHE 413.A N ILE 252.A O no hydrogen 2.553 N/A VAL 414.A N THR 309.A O no hydrogen 3.070 N/A ALA 415.A N LEU 250.A O no hydrogen 2.699 N/A GLU 416.A N THR 306.A OG1 no hydrogen 3.044 N/A LEU 417.A N ILE 248.A O no hydrogen 2.905 N/A ARG 418.A N ILE 304.A O no hydrogen 2.881 N/A ARG 418.A NE ILE 571.A O no hydrogen 3.082 N/A ARG 418.A NH1 GLU 416.A OE1 no hydrogen 2.497 N/A ARG 418.A NH2 GLN 584.A OE1 no hydrogen 3.113 N/A LEU 419.A N HIS 246.A O no hydrogen 2.972 N/A ASP 421.A N GLN 242.A O no hydrogen 3.001 N/A ASP 421.A N PRO 244.A O no hydrogen 2.807 N/A SER 422.A OG GLU 240.A O no hydrogen 2.919 N/A VAL 424.A N PRO 420.A O no hydrogen 3.094 N/A LYS 425.A N ASP 421.A O no hydrogen 2.761 N/A LYS 425.A NZ ASP 421.A OD2 no hydrogen 3.254 N/A GLN 426.A N SER 422.A O no hydrogen 3.066 N/A ILE 427.A N LEU 423.A O no hydrogen 2.788 N/A THR 428.A N VAL 424.A O no hydrogen 2.926 N/A THR 428.A OG1 VAL 424.A O no hydrogen 2.565 N/A THR 428.A OG1 LYS 425.A O no hydrogen 2.970 N/A SER 429.A N LYS 425.A O no hydrogen 2.811 N/A SER 429.A OG LYS 425.A O no hydrogen 3.508 N/A SER 429.A OG GLN 426.A O no hydrogen 2.797 N/A LYS 430.A N ILE 427.A O no hydrogen 2.725 N/A ASN 431.A N ILE 427.A O no hydrogen 2.752 N/A ASN 431.A ND2 TYR 291.A OH no hydrogen 3.100 N/A ASN 433.A N ASN 431.A OD1 no hydrogen 2.686 N/A GLN 435.A NE2 SER 462.A OG no hydrogen 3.283 N/A ALA 436.A N ASN 433.A O no hydrogen 3.139 N/A GLN 437.A N TRP 434.A O no hydrogen 2.985 N/A GLN 437.A NE2 ASN 433.A O no hydrogen 3.138 N/A LEU 438.A N GLN 435.A O no hydrogen 3.384 N/A LYS 439.A N ALA 436.A O no hydrogen 3.459 N/A ALA 440.A N VAL 457.A O no hydrogen 2.978 N/A ILE 442.A N ILE 455.A O no hydrogen 2.873 N/A ARG 443.A NH1 LYS 448.A O no hydrogen 2.803 N/A ARG 443.A NH1 ASP 450.A O no hydrogen 3.288 N/A ILE 444.A N GLY 453.A O no hydrogen 2.901 N/A GLN 446.A N VAL 259.A O no hydrogen 2.865 N/A SER 447.A OG ASP 450.A OD1 no hydrogen 2.756 N/A SER 447.A OG ASP 450.A OD2 no hydrogen 3.271 N/A LYS 448.A NZ GLY 445.A O no hydrogen 3.236 N/A LYS 449.A NZ ASP 450.A OD2 no hydrogen 2.410 N/A ASP 450.A N SER 447.A O no hydrogen 3.441 N/A GLN 451.A N ASP 450.A OD1 no hydrogen 2.635 N/A TYR 452.A OH HIS 384.A NE2 no hydrogen 2.361 N/A GLY 453.A N PRO 257.A O no hydrogen 2.729 N/A LYS 454.A N SER 256.A OG no hydrogen 2.942 N/A LYS 454.A NZ GLU 157.A OE1 no hydrogen 3.079 N/A ILE 455.A N ILE 442.A O no hydrogen 2.816 N/A GLU 456.A N LYS 253.A O no hydrogen 2.881 N/A VAL 457.A N ALA 440.A O no hydrogen 2.780 N/A THR 458.A N THR 251.A O no hydrogen 2.852 N/A THR 458.A OG1 GLU 456.A OE2 no hydrogen 2.762 N/A SER 459.A OG GLY 460.A O no hydrogen 2.877 N/A GLY 460.A N PRO 249.A O no hydrogen 2.773 N/A ALA 463.A N ILE 247.A O no hydrogen 2.899 N/A ASN 471.A N THR 469.A O no hydrogen 2.947 N/A LYS 473.A N ASN 471.A OD1 no hydrogen 2.498 N/A THR 474.A N ASN 471.A OD1 no hydrogen 3.320 N/A LEU 475.A N TYR 554.A O no hydrogen 2.855 N/A SER 476.A N ASN 588.A OD1 no hydrogen 3.216 N/A ILE 477.A N LEU 552.A O no hydrogen 2.644 N/A TRP 478.A N GLY 586.A O no hydrogen 2.852 N/A TRP 478.A NE1 ALA 319.A O no hydrogen 2.805 N/A PHE 479.A N SER 550.A O no hydrogen 2.838 N/A LEU 480.A N GLN 584.A O no hydrogen 2.797 N/A SER 481.A OG GLY 581.A O no hydrogen 2.368 N/A ILE 483.A N TRP 546.A O no hydrogen 3.248 N/A ARG 486.A NE ASP 576.A OD1 no hydrogen 3.346 N/A ARG 486.A NH1 LEU 490.A O no hydrogen 2.642 N/A ARG 486.A NH2 ASP 576.A OD2 no hydrogen 3.425 N/A GLY 487.A N ASN 491.A O no hydrogen 2.631 N/A LEU 490.A N GLY 487.A O no hydrogen 2.923 N/A THR 495.A N ASP 498.A OD2 no hydrogen 2.455 N/A THR 495.A OG1 ASP 498.A OD2 no hydrogen 2.729 N/A LEU 499.A N THR 495.A O no hydrogen 3.261 N/A LYS 500.A N PRO 496.A O no hydrogen 2.896 N/A LYS 501.A N ASP 497.A O no hydrogen 2.840 N/A TYR 502.A N ASP 498.A O no hydrogen 2.829 N/A LEU 503.A N LEU 499.A O no hydrogen 2.901 N/A GLU 504.A N LYS 500.A O no hydrogen 2.873 N/A ASN 505.A N LYS 501.A O no hydrogen 2.976 N/A ALA 506.A N TYR 502.A O no hydrogen 2.851 N/A LEU 507.A N LEU 503.A O no hydrogen 2.834 N/A ILE 509.A N GLU 504.A O no hydrogen 3.264 N/A LYS 510.A N SER 558.A O no hydrogen 2.910 N/A LYS 512.A N ASP 555.A O no hydrogen 2.951 N/A ARG 514.A NE ASP 516.A OD2 no hydrogen 3.234 N/A ARG 514.A NH2 ASP 516.A OD2 no hydrogen 3.012 N/A LEU 519.A N ASP 516.A O no hydrogen 2.906 N/A ILE 520.A N ARG 342.A O no hydrogen 2.997 N/A CYS 521.A SG ILE 553.A O no hydrogen 3.086 N/A ALA 523.A N CYS 551.A O no hydrogen 2.990 N/A ARG 525.A N SER 550.A OG no hydrogen 3.220 N/A ARG 525.A NH2 GLU 356.A O no hydrogen 3.515 N/A GLN 527.A N GLY 545.A O no hydrogen 2.924 N/A ARG 528.A NE GLU 530.A OE1 no hydrogen 2.554 N/A ARG 528.A NH2 GLU 530.A OE1 no hydrogen 2.877 N/A THR 529.A N LEU 543.A O no hydrogen 2.855 N/A SER 531.A OG TRP 532.A O no hydrogen 3.277 N/A GLN 533.A N LEU 538.A O no hydrogen 2.991 N/A TRP 536.A N GLN 533.A O no hydrogen 3.135 N/A GLY 537.A N GLN 533.A O no hydrogen 3.031 N/A ARG 540.A N SER 531.A O no hydrogen 2.694 N/A SER 542.A OG GLU 530.A OE1 no hydrogen 3.059 N/A SER 542.A OG GLU 530.A OE2 no hydrogen 2.903 N/A LEU 543.A N THR 529.A O no hydrogen 3.190 N/A GLY 545.A N GLN 527.A O no hydrogen 2.889 N/A TRP 546.A N ILE 483.A O no hydrogen 3.108 N/A GLN 547.A N ARG 525.A O no hydrogen 2.950 N/A GLN 547.A NE2 SER 526.A O no hydrogen 3.167 N/A GLY 549.A N PHE 479.A O no hydrogen 2.664 N/A SER 550.A N GLN 547.A O no hydrogen 3.081 N/A SER 550.A OG GLN 547.A O no hydrogen 2.820 N/A CYS 551.A N ALA 523.A O no hydrogen 3.330 N/A CYS 551.A SG GLY 549.A O no hydrogen 3.131 N/A LEU 552.A N ILE 477.A O no hydrogen 2.938 N/A ILE 553.A N CYS 521.A O no hydrogen 3.194 N/A TYR 554.A N LEU 475.A O no hydrogen 2.604 N/A ASP 555.A N LYS 512.A O no hydrogen 2.982 N/A ILE 556.A N LYS 473.A O no hydrogen 3.115 N/A GLU 557.A N LYS 510.A O no hydrogen 2.916 N/A THR 560.A OG1 ASN 472.A OD1 no hydrogen 2.580 N/A ASN 562.A ND2 GLU 564.A OE1 no hydrogen 2.947 N/A GLU 564.A N ASN 562.A OD1 no hydrogen 2.860 N/A LYS 565.A NZ GLU 568.A OE2 no hydrogen 2.910 N/A LEU 566.A N ASN 562.A O no hydrogen 2.794 N/A GLN 567.A N ALA 563.A O no hydrogen 3.033 N/A GLU 568.A N GLU 564.A O no hydrogen 3.053 N/A LEU 569.A N LYS 565.A O no hydrogen 2.899 N/A MET 570.A N GLN 567.A O no hydrogen 2.905 N/A ILE 571.A N GLU 568.A O no hydrogen 3.313 N/A THR 572.A N GLU 568.A O no hydrogen 3.076 N/A THR 572.A OG1 GLU 568.A O no hydrogen 2.843 N/A THR 572.A OG1 GLY 573.A O no hydrogen 3.394 N/A ILE 574.A N GLY 583.A O no hydrogen 3.067 N/A GLY 575.A N TYR 502.A OH no hydrogen 3.296 N/A ASP 576.A N LEU 484.A O no hydrogen 2.963 N/A ARG 577.A NE ASP 576.A OD2 no hydrogen 2.823 N/A CYS 578.A SG GLY 575.A O no hydrogen 3.175 N/A CYS 578.A SG TYR 582.A O no hydrogen 3.455 N/A THR 579.A OG1 LEU 303.A O no hydrogen 2.969 N/A GLU 580.A N ARG 577.A O no hydrogen 3.167 N/A GLY 581.A N CYS 578.A O no hydrogen 3.038 N/A GLY 583.A N ASP 482.A O no hydrogen 3.371 N/A GLY 586.A N TRP 478.A O no hydrogen 2.781 N/A ASN 588.A N SER 476.A O no hydrogen 3.312 N/A ASN 588.A ND2 THR 469.A O no hydrogen 2.538 N/A LEU 591.A N ASP 589.A OD2 no hydrogen 3.029 N/A LEU 592.A N ASP 589.A O no hydrogen 3.165 N/A SER 593.A N ASP 589.A O no hydrogen 3.328 N/A SER 593.A N PRO 590.A O no hydrogen 2.705 N/A SER 593.A OG ASP 589.A O no hydrogen 3.515 N/A ALA 594.A N PRO 590.A O no hydrogen 2.671 N/A LEU 596.A N GLU 345.A OE1 no hydrogen 2.778 N/A GLY 597.A N GLU 345.A OE1 no hydrogen 3.026 N/A GLY 597.A N GLU 345.A OE2 no hydrogen 2.688 N/A LEU 599.A N LEU 596.A O no hydrogen 2.817 N/A THR 600.A OG1 ALA 601.A O no hydrogen 3.287 N/A ALA 601.A N GLY 336.A O no hydrogen 2.833 N/A LEU 605.A N ILE 730.A O no hydrogen 2.834 N/A HIS 609.A N PRO 606.A O no hydrogen 2.997 N/A HIS 609.A NE2 ASP 104.A OD2 no hydrogen 2.707 N/A GLN 612.A N HIS 609.A O no hydrogen 2.915 N/A GLN 612.A NE2 THR 607.A O no hydrogen 3.022 N/A TYR 614.A OH ARG 149.A O no hydrogen 3.183 N/A ALA 615.A N THR 611.A O no hydrogen 2.857 N/A ARG 616.A N GLN 612.A O no hydrogen 2.947 N/A ARG 616.A NE GLU 619.A OE2 no hydrogen 2.513 N/A ARG 616.A NH1 GLN 737.A OE1 no hydrogen 2.904 N/A ARG 616.A NH2 GLN 737.A OE1 no hydrogen 3.047 N/A LEU 617.A N ASP 613.A O no hydrogen 3.310 N/A ILE 618.A N TYR 614.A O no hydrogen 3.282 N/A GLU 619.A N ALA 615.A O no hydrogen 2.938 N/A LYS 620.A N ARG 616.A O no hydrogen 3.073 N/A LYS 620.A NZ GLU 741.A OE2 no hydrogen 3.541 N/A ALA 621.A N LEU 617.A O no hydrogen 3.316 N/A ALA 622.A N ILE 618.A O no hydrogen 3.008 N/A TRP 623.A N GLU 619.A O no hydrogen 2.743 N/A ARG 624.A N LYS 620.A O no hydrogen 2.715 N/A ARG 624.A NE GLU 745.A OE1 no hydrogen 3.145 N/A ARG 624.A NE GLU 745.A OE2 no hydrogen 3.279 N/A ARG 624.A NH2 GLU 745.A OE2 no hydrogen 3.449 N/A GLU 625.A N ALA 621.A O no hydrogen 3.117 N/A ALA 626.A N ALA 622.A O no hydrogen 3.098 N/A ILE 627.A N TRP 623.A O no hydrogen 2.794 N/A GLN 628.A N ARG 624.A O no hydrogen 2.967 N/A ASN 629.A N GLU 625.A O no hydrogen 3.066 N/A ASN 629.A ND2 GLU 625.A OE2 no hydrogen 3.160 N/A LYS 630.A N ALA 626.A O no hydrogen 2.985 N/A LYS 630.A NZ LEU 721.A O no hydrogen 2.697 N/A ALA 631.A N ILE 627.A O no hydrogen 2.879 N/A LEU 632.A N GLN 628.A O no hydrogen 3.078 N/A ALA 633.A N ASN 629.A O no hydrogen 3.153 N/A LEU 634.A N LYS 630.A O no hydrogen 2.793 N/A ALA 635.A N ALA 631.A O no hydrogen 3.004 N/A SER 636.A N ALA 633.A O no hydrogen 3.021 N/A SER 636.A OG ALA 633.A O no hydrogen 2.650 N/A SER 637.A N LEU 634.A O no hydrogen 3.504 N/A LYS 640.A N SER 637.A OG no hydrogen 3.304 N/A LYS 640.A NZ GLU 643.A OE2 no hydrogen 3.022 N/A ARG 641.A N SER 637.A O no hydrogen 3.166 N/A ARG 641.A NH1 ALA 635.A O no hydrogen 2.568 N/A ARG 641.A NH2 ASP 761.A OD2 no hydrogen 2.342 N/A GLU 642.A N ARG 638.A O no hydrogen 3.133 N/A GLU 643.A N ALA 639.A O no hydrogen 2.966 N/A ILE 644.A N LYS 640.A O no hydrogen 3.095 N/A LEU 645.A N ARG 641.A O no hydrogen 3.012 N/A GLY 646.A N GLU 642.A O no hydrogen 2.828 N/A LYS 648.A N GLN 655.A O no hydrogen 3.142 N/A MET 650.A N ASP 653.A O no hydrogen 2.749 N/A ASP 653.A N MET 650.A O no hydrogen 3.284 N/A SER 654.A OG PRO 656.A O no hydrogen 2.815 N/A SER 654.A OG HIS 758.A NE2 no hydrogen 2.415 N/A GLN 655.A N LYS 648.A O no hydrogen 2.728 N/A GLN 660.A N THR 657.A O no hydrogen 2.961 N/A LEU 661.A N THR 657.A O no hydrogen 3.189 N/A GLY 662.A N MET 658.A O no hydrogen 2.740 N/A GLY 663.A N THR 659.A O no hydrogen 3.034 N/A PHE 664.A N GLN 660.A O no hydrogen 3.245 N/A ARG 665.A N LEU 661.A O no hydrogen 2.857 N/A ARG 665.A NE ASP 752.A OD1 no hydrogen 3.335 N/A SER 666.A N GLY 662.A O no hydrogen 2.869 N/A SER 666.A OG GLY 662.A O no hydrogen 2.662 N/A VAL 667.A N GLY 663.A O no hydrogen 3.248 N/A LEU 668.A N PHE 664.A O no hydrogen 2.903 N/A LYS 669.A N ARG 665.A O no hydrogen 3.294 N/A ARG 670.A N VAL 667.A O no hydrogen 2.964 N/A LEU 671.A N LEU 668.A O no hydrogen 2.978 N/A HIS 672.A N ARG 670.A O no hydrogen 2.902 N/A SER 673.A N ASN 676.A OD1 no hydrogen 2.870 N/A SER 673.A OG ASN 675.A OD1 no hydrogen 2.930 N/A ARG 674.A NH1 SER 740.A O no hydrogen 2.893 N/A ASN 675.A N SER 673.A OG no hydrogen 3.134 N/A ASN 676.A N SER 673.A O no hydrogen 2.831 N/A ARG 677.A NE VAL 711.A O no hydrogen 2.918 N/A ILE 679.A N ASN 676.A O no hydrogen 2.841 N/A THR 681.A N ARG 677.A O no hydrogen 2.974 N/A THR 681.A OG1 ARG 677.A O no hydrogen 3.057 N/A GLY 682.A N ASP 678.A O no hydrogen 2.776 N/A TYR 683.A N ILE 679.A O no hydrogen 3.085 N/A LEU 684.A N VAL 680.A O no hydrogen 2.952 N/A THR 685.A N THR 681.A O no hydrogen 3.074 N/A THR 685.A OG1 THR 681.A O no hydrogen 3.001 N/A THR 685.A OG1 GLY 682.A O no hydrogen 2.867 N/A ALA 686.A N GLY 682.A O no hydrogen 3.083 N/A LEU 687.A N TYR 683.A O no hydrogen 2.846 N/A GLU 688.A N LEU 684.A O no hydrogen 2.806 N/A GLN 689.A N THR 685.A O no hydrogen 2.755 N/A VAL 690.A N LEU 687.A O no hydrogen 3.287 N/A ARG 693.A N VAL 690.A O no hydrogen 3.016 N/A LYS 694.A N VAL 690.A O no hydrogen 2.926 N/A GLU 695.A N SER 691.A O no hydrogen 2.947 N/A LYS 696.A N ASN 692.A O no hydrogen 3.310 N/A TRP 697.A N LYS 694.A O no hydrogen 2.865 N/A TRP 697.A NE1 GLN 660.A OE1 no hydrogen 3.144 N/A SER 698.A N LYS 694.A O no hydrogen 3.299 N/A SER 698.A N GLU 695.A O no hydrogen 3.251 N/A SER 698.A OG GLU 695.A O no hydrogen 2.856 N/A THR 700.A N TRP 697.A O no hydrogen 3.150 N/A THR 700.A OG1 TRP 697.A O no hydrogen 2.312 N/A SER 701.A N GLY 646.A O no hydrogen 3.090 N/A GLN 702.A N THR 700.A O no hydrogen 2.798 N/A GLY 703.A N THR 700.A OG1 no hydrogen 3.165 N/A THR 705.A OG1 GLN 702.A O no hydrogen 3.019 N/A LYS 706.A N GLN 702.A O no hydrogen 3.019 N/A LYS 706.A NZ GLU 642.A O no hydrogen 2.597 N/A LYS 706.A NZ SER 701.A O no hydrogen 2.962 N/A LYS 706.A NZ SER 701.A OG no hydrogen 2.968 N/A ILE 707.A N GLY 703.A O no hydrogen 2.907 N/A ARG 708.A N LEU 704.A O no hydrogen 3.047 N/A ASN 709.A N THR 705.A O no hydrogen 2.782 N/A LEU 710.A N LYS 706.A O no hydrogen 3.071 N/A VAL 711.A N ILE 707.A O no hydrogen 3.098 N/A THR 712.A N ASN 709.A O no hydrogen 2.957 N/A THR 712.A OG1 ARG 708.A O no hydrogen 2.525 N/A GLN 713.A N ASN 709.A O no hydrogen 2.654 N/A LEU 716.A N GLN 713.A O no hydrogen 3.096 N/A ASN 719.A N ASN 715.A O no hydrogen 2.972 N/A HIS 720.A N LEU 716.A O no hydrogen 2.967 N/A LEU 721.A N ILE 717.A O no hydrogen 2.858 N/A ASP 722.A N TRP 718.A O no hydrogen 2.753 N/A SER 726.A N ASP 724.A OD1 no hydrogen 3.082 N/A SER 726.A OG ASP 724.A OD1 no hydrogen 2.884 N/A LEU 728.A N PHE 725.A O no hydrogen 3.060 N/A THR 729.A OG1 GLU 619.A OE1 no hydrogen 2.437 N/A ILE 730.A N GLU 619.A OE1 no hydrogen 2.664 N/A THR 731.A N GLU 619.A OE1 no hydrogen 2.742 N/A THR 731.A OG1 GLU 619.A OE2 no hydrogen 2.849 N/A GLY 734.A N THR 731.A O no hydrogen 2.817 N/A GLN 737.A N ASN 733.A O no hydrogen 3.366 N/A LEU 738.A N GLY 734.A O no hydrogen 2.890 N/A LYS 739.A N VAL 735.A O no hydrogen 2.950 N/A SER 740.A N ASN 736.A O no hydrogen 3.129 N/A SER 740.A OG GLN 737.A O no hydrogen 2.719 N/A GLU 741.A N LEU 738.A O no hydrogen 3.101 N/A LEU 742.A N LEU 738.A O no hydrogen 2.646 N/A ALA 746.A N LEU 742.A O no hydrogen 2.884 N/A VAL 747.A N TRP 743.A O no hydrogen 2.912 N/A ARG 748.A N ALA 744.A O no hydrogen 3.093 N/A ARG 748.A NE LEU 671.A O no hydrogen 2.640 N/A THR 749.A N GLU 745.A O no hydrogen 2.827 N/A THR 749.A OG1 GLU 745.A O no hydrogen 2.593 N/A LEU 750.A N ALA 746.A O no hydrogen 2.983 N/A VAL 751.A N VAL 747.A O no hydrogen 3.071 N/A ASP 752.A N ARG 748.A O no hydrogen 3.010 N/A ALA 753.A N THR 749.A O no hydrogen 3.087 N/A ILE 754.A N LEU 750.A O no hydrogen 2.871 N/A ILE 755.A N VAL 751.A O no hydrogen 2.906 N/A ARG 756.A N ASP 752.A O no hydrogen 3.058 N/A ARG 756.A NH1 ASP 752.A OD2 no hydrogen 3.095 N/A ARG 756.A NH2 ASP 752.A OD2 no hydrogen 2.848 N/A GLY 757.A N ALA 753.A O no hydrogen 2.865 N/A HIS 758.A N ILE 754.A O no hydrogen 2.719 N/A HIS 758.A NE2 SER 654.A OG no hydrogen 2.415 N/A LYS 759.A N ILE 755.A O no hydrogen 3.057 N/A LYS 759.A NZ GLU 763.A OE1 no hydrogen 2.782 N/A ARG 760.A N ARG 756.A O no hydrogen 3.016 N/A ASP 761.A N GLY 757.A O no hydrogen 2.981 N/A LEU 762.A N HIS 758.A O no hydrogen 2.700 N/A GLU 763.A N LYS 759.A O no hydrogen 2.802 N/A LYS 764.A NZ ARG 760.A O no hydrogen 3.183 N/A LYS 764.A NZ ASP 761.A OD1 no hydrogen 3.202 N/A ALA 765.A N ASP 761.A O no hydrogen 3.238 N/A GLN 766.A N LEU 762.A O no hydrogen 2.557 N/A GLN 766.A NE2 GLU 767.A OE1 no hydrogen 2.660 N/A GLU 767.A N GLU 763.A O no hydrogen 2.854 N/A ASN 768.A N GLN 766.A O no hydrogen 3.086 N/A