Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hhm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 831.A OE2 no hydrogen 3.135 N/A TYR 2.A OH GLU 266.A OE1 no hydrogen 2.800 N/A TYR 2.A OH GLU 266.A OE2 no hydrogen 3.240 N/A TYR 3.A OH TYR 279.A OH no hydrogen 2.569 N/A HIS 5.A N TYR 3.A O no hydrogen 2.369 N/A HIS 7.A N ASP 908.A OD1 no hydrogen 2.798 N/A HIS 8.A N LEU 286.A O no hydrogen 2.957 N/A HIS 9.A NE2 ASP 908.A O no hydrogen 2.894 N/A TRP 18.A N PHE 102.A O no hydrogen 3.366 N/A ILE 20.A N LEU 17.A O no hydrogen 3.386 N/A MET 23.A N GLU 16.A OE2 no hydrogen 3.499 N/A ARG 26.A NH1 GLU 42.A OE2 no hydrogen 2.627 N/A ILE 27.A N CYS 43.A O no hydrogen 2.872 N/A VAL 29.A N LEU 41.A O no hydrogen 2.994 N/A GLU 30.A N PRO 104.A O no hydrogen 3.131 N/A CYS 31.A N VAL 39.A O no hydrogen 2.871 N/A LEU 32.A N LEU 106.A O no hydrogen 2.838 N/A LEU 33.A N MET 37.A O no hydrogen 2.806 N/A ASN 35.A ND2 LEU 65.A O no hydrogen 3.227 N/A GLY 36.A N LEU 33.A O no hydrogen 3.195 N/A MET 37.A N ASN 35.A OD1 no hydrogen 3.116 N/A VAL 39.A N CYS 31.A O no hydrogen 2.940 N/A LEU 41.A N VAL 29.A O no hydrogen 2.900 N/A CYS 43.A N ILE 27.A O no hydrogen 2.840 N/A CYS 43.A SG LEU 41.A O no hydrogen 3.756 N/A ARG 45.A N PRO 25.A O no hydrogen 2.879 N/A ARG 45.A NE GLU 46.A OE2 no hydrogen 3.306 N/A ARG 45.A NH1 GLU 16.A OE2 no hydrogen 2.445 N/A ALA 47.A N LEU 44.A O no hydrogen 2.965 N/A LEU 49.A N ARG 94.A O no hydrogen 3.150 N/A ILE 50.A N GLU 92.A O no hydrogen 2.926 N/A THR 51.A OG1 THR 48.A O no hydrogen 3.248 N/A ILE 52.A N THR 48.A O no hydrogen 3.125 N/A LYS 53.A N LEU 49.A O no hydrogen 2.903 N/A LYS 53.A NZ GLU 72.A O no hydrogen 3.361 N/A LYS 53.A NZ TYR 75.A O no hydrogen 3.502 N/A LYS 53.A NZ GLU 92.A OE1 no hydrogen 3.240 N/A LYS 53.A NZ GLU 92.A OE2 no hydrogen 2.866 N/A HIS 54.A N ILE 50.A O no hydrogen 3.049 N/A GLU 55.A N THR 51.A O no hydrogen 2.883 N/A LEU 56.A N ILE 52.A O no hydrogen 2.780 N/A PHE 57.A N LYS 53.A O no hydrogen 2.948 N/A LYS 58.A N HIS 54.A O no hydrogen 3.206 N/A LYS 58.A NZ HIS 54.A NE2 no hydrogen 3.233 N/A GLU 59.A N GLU 55.A O no hydrogen 2.911 N/A ALA 60.A N LEU 56.A O no hydrogen 2.819 N/A ARG 61.A N LYS 58.A O no hydrogen 3.306 N/A LYS 62.A N GLU 59.A O no hydrogen 3.452 N/A TYR 63.A N ALA 60.A O no hydrogen 2.989 N/A TYR 63.A OH GLU 59.A OE2 no hydrogen 3.320 N/A LEU 68.A N LEU 65.A O no hydrogen 2.943 N/A LEU 69.A N HIS 66.A O no hydrogen 3.365 N/A GLN 70.A N TYR 75.A OH no hydrogen 3.239 N/A SER 74.A N ASP 71.A O no hydrogen 2.978 N/A SER 74.A OG ASP 71.A O no hydrogen 3.145 N/A ILE 76.A N ILE 109.A O no hydrogen 2.997 N/A VAL 78.A N LYS 107.A O no hydrogen 2.817 N/A SER 79.A N GLU 87.A O no hydrogen 3.162 N/A SER 79.A OG PHE 105.A O no hydrogen 2.632 N/A THR 81.A N GLU 85.A O no hydrogen 3.014 N/A GLN 82.A N ARG 100.A O no hydrogen 2.876 N/A GLU 83.A N THR 81.A OG1 no hydrogen 3.331 N/A ALA 84.A N THR 81.A O no hydrogen 2.718 N/A GLU 87.A N SER 79.A O no hydrogen 2.935 N/A PHE 89.A N PHE 77.A O no hydrogen 3.146 N/A ARG 94.A N ASP 91.A O no hydrogen 3.145 N/A ARG 94.A NH1 GLU 87.A OE2 no hydrogen 3.336 N/A ARG 95.A NE GLU 46.A O no hydrogen 2.962 N/A ARG 95.A NH1 ASP 728.A OD1 no hydrogen 2.682 N/A LEU 96.A N ALA 47.A O no hydrogen 2.788 N/A CYS 97.A N ARG 45.A O no hydrogen 2.979 N/A ASP 98.A N ARG 95.A O no hydrogen 2.942 N/A LEU 99.A N ARG 95.A O no hydrogen 3.318 N/A PHE 102.A N VAL 80.A O no hydrogen 3.035 N/A PHE 105.A N GLN 103.A O no hydrogen 2.743 N/A LEU 106.A N GLU 30.A O no hydrogen 2.787 N/A LYS 107.A N VAL 78.A O no hydrogen 2.728 N/A VAL 108.A N LEU 32.A O no hydrogen 2.720 N/A ILE 109.A N ILE 76.A O no hydrogen 3.176 N/A ARG 115.A N GLY 113.A O no hydrogen 2.027 N/A ILE 119.A N ARG 115.A O no hydrogen 3.355 N/A ASN 121.A N GLU 117.A O no hydrogen 2.942 N/A GLU 123.A N LEU 120.A O no hydrogen 3.122 N/A ILE 124.A N ASN 121.A O no hydrogen 3.274 N/A PHE 126.A N ARG 122.A O no hydrogen 3.254 N/A ALA 127.A N GLU 123.A O no hydrogen 3.094 N/A ILE 128.A N ILE 124.A O no hydrogen 2.941 N/A GLY 129.A N GLY 125.A O no hydrogen 2.949 N/A MET 130.A N GLY 125.A O no hydrogen 3.202 N/A CYS 133.A SG PRO 131.A O no hydrogen 3.924 N/A GLU 134.A N PRO 131.A O no hydrogen 2.930 N/A VAL 138.A N PHE 135.A O no hydrogen 3.146 N/A GLU 142.A N ASP 140.A OD1 no hydrogen 3.274 N/A GLN 144.A N ASP 140.A O no hydrogen 3.324 N/A ASP 145.A N PRO 141.A O no hydrogen 2.893 N/A PHE 146.A N GLU 142.A O no hydrogen 2.892 N/A ARG 147.A N VAL 143.A O no hydrogen 3.065 N/A ARG 147.A NE GLU 671.A OE2 no hydrogen 2.992 N/A ARG 147.A NH1 ASP 136.A OD1 no hydrogen 2.938 N/A ARG 147.A NH2 ASP 136.A OD1 no hydrogen 3.105 N/A ARG 147.A NH2 GLU 671.A OE1 no hydrogen 2.669 N/A ARG 148.A N GLN 144.A O no hydrogen 3.358 N/A ARG 148.A NH2 ASP 145.A OD1 no hydrogen 2.802 N/A ASN 149.A N ASP 145.A O no hydrogen 2.673 N/A ILE 150.A N PHE 146.A O no hydrogen 3.143 N/A LEU 151.A N ARG 148.A O no hydrogen 3.345 N/A VAL 153.A N ILE 150.A O no hydrogen 3.138 N/A CYS 154.A SG ILE 150.A O no hydrogen 3.590 N/A CYS 154.A SG SER 672.A O no hydrogen 3.919 N/A LYS 155.A N LEU 151.A O no hydrogen 2.927 N/A GLU 156.A N ASN 152.A O no hydrogen 2.963 N/A ALA 157.A N VAL 153.A O no hydrogen 2.987 N/A VAL 158.A N CYS 154.A O no hydrogen 2.822 N/A ASP 159.A N LYS 155.A O no hydrogen 2.943 N/A LEU 160.A N GLU 156.A O no hydrogen 2.820 N/A ARG 161.A N VAL 158.A O no hydrogen 3.230 N/A ARG 161.A NH1 LEU 640.A O no hydrogen 3.156 N/A ARG 161.A NH1 ALA 676.A O no hydrogen 3.116 N/A ARG 161.A NH2 ALA 676.A O no hydrogen 3.372 N/A ASP 162.A N ASP 159.A O no hydrogen 2.940 N/A HIS 167.A NE2 LEU 269.A O no hydrogen 3.295 N/A SER 168.A N ASN 164.A O no hydrogen 3.353 N/A SER 168.A OG ARG 161.A O no hydrogen 2.592 N/A SER 168.A OG LEU 163.A O no hydrogen 3.283 N/A SER 168.A OG ASN 164.A O no hydrogen 3.039 N/A ARG 169.A NH2 LEU 304.A O no hydrogen 2.983 N/A ALA 170.A N PRO 166.A O no hydrogen 3.264 N/A MET 171.A N HIS 167.A O no hydrogen 2.902 N/A TYR 172.A N SER 168.A O no hydrogen 3.258 N/A TYR 172.A OH CYS 677.A O no hydrogen 2.671 N/A VAL 173.A N ARG 169.A O no hydrogen 3.265 N/A TYR 174.A N ALA 170.A O no hydrogen 2.619 N/A ASN 177.A ND2 GLU 266.A OE2 no hydrogen 2.816 N/A GLU 179.A N GLN 276.A O no hydrogen 2.744 N/A SER 180.A OG ASP 608.A OD2 no hydrogen 2.823 N/A ILE 188.A N PRO 185.A O no hydrogen 2.999 N/A TYR 189.A N PRO 185.A O no hydrogen 3.049 N/A ASN 190.A N LYS 186.A O no hydrogen 2.812 N/A LYS 191.A N ILE 188.A O no hydrogen 3.072 N/A LYS 191.A NZ MET 285.A O no hydrogen 3.314 N/A LEU 192.A N TYR 189.A O no hydrogen 2.828 N/A ASP 193.A N TYR 189.A O no hydrogen 3.250 N/A ILE 197.A N ILE 218.A O no hydrogen 2.684 N/A VAL 199.A N LEU 216.A O no hydrogen 2.995 N/A VAL 200.A N PRO 290.A O no hydrogen 2.848 N/A ILE 201.A N TYR 214.A O no hydrogen 2.852 N/A TRP 202.A N LEU 292.A O no hydrogen 2.735 N/A VAL 203.A N GLN 212.A O no hydrogen 3.126 N/A VAL 205.A N ASP 210.A O no hydrogen 2.963 N/A ASN 208.A N SER 206.A O no hydrogen 2.225 N/A LYS 211.A NZ ILE 770.A O no hydrogen 3.093 N/A TYR 214.A N ILE 201.A O no hydrogen 2.885 N/A LEU 216.A N VAL 199.A O no hydrogen 2.970 N/A ILE 218.A N ILE 197.A O no hydrogen 2.913 N/A HIS 220.A N GLY 195.A O no hydrogen 3.220 N/A HIS 220.A ND1 GLY 195.A O no hydrogen 2.932 N/A CYS 222.A N ASN 219.A O no hydrogen 2.902 N/A CYS 222.A SG ASN 219.A O no hydrogen 3.452 N/A CYS 222.A SG GLN 226.A OE1 no hydrogen 4.039 N/A VAL 223.A N GLN 226.A OE1 no hydrogen 3.196 N/A GLN 226.A N VAL 223.A O no hydrogen 2.895 N/A VAL 227.A N VAL 223.A O no hydrogen 3.328 N/A ILE 228.A N PRO 224.A O no hydrogen 3.044 N/A ALA 229.A N GLU 225.A O no hydrogen 2.956 N/A GLU 230.A N GLN 226.A O no hydrogen 2.981 N/A ALA 231.A N VAL 227.A O no hydrogen 2.948 N/A ILE 232.A N ILE 228.A O no hydrogen 2.878 N/A ARG 233.A N ALA 229.A O no hydrogen 3.016 N/A ARG 233.A NE GLU 230.A OE1 no hydrogen 3.285 N/A ARG 233.A NH2 GLU 230.A OE1 no hydrogen 3.503 N/A LYS 234.A N GLU 230.A O no hydrogen 3.099 N/A LYS 234.A NZ THR 215.A O no hydrogen 2.781 N/A LYS 235.A N ALA 231.A O no hydrogen 3.206 N/A THR 236.A N ILE 232.A O no hydrogen 2.828 N/A THR 236.A OG1 ILE 232.A O no hydrogen 3.085 N/A ARG 237.A N ARG 233.A O no hydrogen 3.108 N/A ARG 237.A N LYS 234.A O no hydrogen 3.192 N/A SER 238.A OG LYS 235.A O no hydrogen 3.080 N/A MET 239.A N THR 236.A O no hydrogen 3.170 N/A LEU 240.A N ARG 237.A O no hydrogen 3.003 N/A SER 242.A OG SER 243.A O no hydrogen 3.150 N/A LEU 246.A N SER 242.A O no hydrogen 2.792 N/A LEU 248.A N GLU 244.A O no hydrogen 2.782 N/A CYS 249.A N GLN 245.A O no hydrogen 2.850 N/A VAL 250.A N LEU 246.A O no hydrogen 3.230 N/A LEU 251.A N LYS 247.A O no hydrogen 3.276 N/A GLU 252.A N LEU 248.A O no hydrogen 3.102 N/A GLU 252.A N CYS 249.A O no hydrogen 3.251 N/A TYR 253.A N VAL 250.A O no hydrogen 3.157 N/A GLN 254.A N VAL 250.A O no hydrogen 3.032 N/A LYS 256.A N TYR 253.A O no hydrogen 2.940 N/A ILE 258.A N MET 295.A O no hydrogen 2.551 N/A LYS 260.A N MET 293.A O no hydrogen 2.852 N/A LYS 260.A NZ VAL 261.A O no hydrogen 2.834 N/A LYS 260.A NZ CYS 264.A O no hydrogen 2.817 N/A LYS 260.A NZ ASP 769.A OD1 no hydrogen 2.966 N/A VAL 261.A N GLU 266.A O no hydrogen 2.886 N/A CYS 262.A N ASN 291.A O no hydrogen 3.281 N/A ASP 265.A N ALA 740.A O no hydrogen 2.963 N/A GLU 266.A N CYS 264.A O no hydrogen 2.965 N/A PHE 268.A N LEU 259.A O no hydrogen 3.007 N/A GLU 270.A N TYR 277.A OH no hydrogen 3.204 N/A LYS 271.A N GLU 270.A OE2 no hydrogen 3.046 N/A LEU 274.A N CYS 222.A O no hydrogen 2.664 N/A SER 275.A N HIS 220.A O no hydrogen 3.014 N/A SER 275.A OG HIS 220.A O no hydrogen 3.235 N/A GLN 276.A N PRO 273.A O no hydrogen 2.977 N/A TYR 277.A N LEU 274.A O no hydrogen 3.123 N/A TYR 277.A OH GLU 270.A O no hydrogen 2.715 N/A LYS 278.A N ASN 177.A O no hydrogen 3.031 N/A LYS 278.A NZ ASP 608.A OD1 no hydrogen 3.295 N/A TYR 279.A OH TYR 3.A OH no hydrogen 2.569 N/A ARG 281.A N TYR 277.A O no hydrogen 3.020 N/A ARG 281.A NE SER 275.A O no hydrogen 2.823 N/A ARG 281.A NH2 SER 181.A O no hydrogen 3.362 N/A ARG 281.A NH2 SER 275.A O no hydrogen 2.836 N/A SER 282.A N LYS 278.A O no hydrogen 2.913 N/A CYS 283.A N TYR 279.A O no hydrogen 2.879 N/A CYS 283.A SG TYR 3.A OH no hydrogen 3.781 N/A CYS 283.A SG TYR 279.A O no hydrogen 3.412 N/A ILE 284.A N ILE 280.A O no hydrogen 2.957 N/A MET 285.A N ARG 281.A O no hydrogen 3.029 N/A LEU 286.A N SER 282.A O no hydrogen 2.862 N/A GLY 287.A N ILE 284.A O no hydrogen 3.093 N/A ARG 288.A N CYS 283.A O no hydrogen 2.868 N/A ARG 288.A NE HIS 6.A O no hydrogen 3.415 N/A ARG 288.A NH2 HIS 6.A O no hydrogen 3.458 N/A ASN 291.A N TYR 279.A OH no hydrogen 2.941 N/A LEU 292.A N VAL 200.A O no hydrogen 2.873 N/A MET 293.A N LYS 260.A O no hydrogen 2.586 N/A LEU 294.A N TRP 202.A O no hydrogen 2.817 N/A LYS 297.A N LYS 256.A O no hydrogen 3.236 N/A LYS 297.A NZ GLY 255.A O no hydrogen 2.852 N/A SER 299.A N ALA 296.A O no hydrogen 3.116 N/A SER 299.A OG ALA 296.A O no hydrogen 2.698 N/A TYR 301.A N LYS 297.A O no hydrogen 2.748 N/A SER 302.A N GLU 298.A O no hydrogen 2.773 N/A SER 302.A OG GLU 298.A O no hydrogen 3.002 N/A SER 302.A OG SER 299.A O no hydrogen 3.301 N/A GLN 303.A N LEU 300.A O no hydrogen 3.100 N/A CYS 308.A SG THR 310.A OG1 no hydrogen 3.624 N/A SER 315.A N SER 313.A O no hydrogen 2.747 N/A SER 315.A OG PRO 312.A O no hydrogen 3.065 N/A THR 320.A OG1 THR 318.A O no hydrogen 3.308 N/A LYS 321.A N VAL 472.A O no hydrogen 2.745 N/A LEU 323.A N LYS 474.A O no hydrogen 2.642 N/A VAL 325.A N SER 322.A O no hydrogen 3.179 N/A ILE 326.A N LEU 323.A O no hydrogen 3.279 N/A ASN 327.A ND2 TYR 388.A OH no hydrogen 2.489 N/A LEU 330.A N ILE 387.A O no hydrogen 3.242 N/A ARG 331.A NE ASP 467.A OD1 no hydrogen 3.172 N/A ARG 331.A NH2 ASP 467.A OD2 no hydrogen 3.225 N/A ILE 332.A N LEU 383.A O no hydrogen 3.067 N/A LYS 333.A N GLU 465.A O no hydrogen 2.837 N/A LYS 333.A NZ GLU 465.A OE2 no hydrogen 2.889 N/A ILE 334.A N GLU 381.A O no hydrogen 2.866 N/A LEU 335.A N GLU 463.A O no hydrogen 2.902 N/A ALA 337.A N PRO 377.A O no hydrogen 3.136 N/A THR 338.A N CYS 461.A O no hydrogen 3.205 N/A VAL 342.A N VAL 340.A O no hydrogen 3.219 N/A ASP 348.A N ASP 346.A O no hydrogen 2.543 N/A LYS 349.A NZ VAL 372.A O no hydrogen 2.939 N/A VAL 352.A N ASN 368.A OD1 no hydrogen 2.883 N/A ARG 353.A N SER 401.A O no hydrogen 2.745 N/A THR 354.A N ASN 366.A O no hydrogen 3.087 N/A THR 354.A OG1 ASN 366.A O no hydrogen 2.959 N/A THR 354.A OG1 TYR 385.A OH no hydrogen 2.355 N/A GLY 355.A N CYS 399.A O no hydrogen 2.961 N/A TYR 357.A N ARG 397.A O no hydrogen 2.686 N/A TYR 357.A OH ASP 365.A OD2 no hydrogen 3.417 N/A ASN 368.A N VAL 352.A O no hydrogen 3.175 N/A THR 369.A N GLU 381.A OE2 no hydrogen 3.174 N/A ASN 376.A N PRO 373.A O no hydrogen 3.101 N/A TRP 379.A N LEU 335.A O no hydrogen 2.899 N/A ASN 380.A N LEU 335.A O no hydrogen 2.913 N/A GLU 381.A N ILE 334.A O no hydrogen 3.243 N/A LEU 383.A N ILE 332.A O no hydrogen 2.886 N/A TYR 385.A N LEU 330.A O no hydrogen 3.056 N/A TYR 385.A OH THR 354.A OG1 no hydrogen 2.355 N/A ILE 389.A N SER 328.A O no hydrogen 3.350 N/A ASP 391.A N TYR 388.A O no hydrogen 2.747 N/A LEU 392.A N ILE 389.A O no hydrogen 2.952 N/A ARG 394.A NE ASP 423.A OD2 no hydrogen 3.185 N/A ARG 394.A NH1 ARG 394.A O no hydrogen 2.959 N/A ARG 394.A NH1 TYR 626.A OH no hydrogen 2.568 N/A ARG 394.A NH2 ASP 420.A O no hydrogen 2.757 N/A ARG 394.A NH2 ASP 423.A OD2 no hydrogen 2.742 N/A ALA 396.A N PRO 393.A O no hydrogen 2.805 N/A ARG 397.A N TYR 357.A O no hydrogen 2.936 N/A ARG 397.A NH1 PRO 447.A O no hydrogen 3.072 N/A ARG 397.A NH2 PRO 447.A O no hydrogen 2.455 N/A LEU 398.A N ILE 416.A O no hydrogen 2.754 N/A CYS 399.A N GLY 355.A O no hydrogen 2.879 N/A LEU 400.A N GLY 414.A O no hydrogen 2.815 N/A SER 401.A N ARG 353.A O no hydrogen 2.889 N/A SER 401.A OG LEU 444.A O no hydrogen 2.127 N/A ILE 402.A N ALA 412.A O no hydrogen 2.956 N/A SER 404.A OG ASP 348.A OD1 no hydrogen 3.414 N/A SER 404.A OG CYS 403.A O no hydrogen 2.724 N/A ARG 408.A NH1 LYS 406.A O no hydrogen 2.654 N/A ALA 412.A N ILE 402.A O no hydrogen 3.279 N/A ALA 412.A N PRO 410.A O no hydrogen 3.221 N/A TRP 413.A N TRP 435.A O no hydrogen 3.089 N/A TRP 413.A NE1 PRO 436.A O no hydrogen 3.240 N/A GLY 414.A N LEU 400.A O no hydrogen 2.970 N/A ASN 415.A ND2 ASN 446.A O no hydrogen 2.982 N/A ASN 415.A ND2 GLY 449.A O no hydrogen 3.291 N/A ASN 415.A ND2 VAL 450.A O no hydrogen 3.301 N/A ILE 416.A N LEU 398.A O no hydrogen 2.720 N/A ASN 417.A ND2 GLN 625.A O no hydrogen 3.413 N/A LEU 418.A N ALA 396.A O no hydrogen 3.125 N/A ASP 420.A N THR 424.A O no hydrogen 2.899 N/A TYR 421.A OH ASP 145.A OD2 no hydrogen 2.592 N/A THR 422.A OG1 ASP 420.A OD2 no hydrogen 3.289 N/A THR 422.A OG1 THR 424.A OG1 no hydrogen 3.390 N/A ASP 423.A N ASP 420.A O no hydrogen 3.197 N/A THR 424.A OG1 THR 422.A OG1 no hydrogen 3.390 N/A LEU 425.A N VAL 473.A O no hydrogen 2.855 N/A VAL 426.A N LEU 418.A O no hydrogen 3.012 N/A GLY 428.A N PHE 466.A O no hydrogen 3.061 N/A MET 430.A N LEU 464.A O no hydrogen 2.788 N/A LEU 432.A N LEU 462.A O no hydrogen 2.778 N/A ASN 433.A N SER 453.A OG no hydrogen 2.886 N/A LEU 434.A N PRO 460.A O no hydrogen 2.901 N/A TRP 435.A N TRP 413.A O no hydrogen 2.771 N/A TRP 435.A NE1 GLY 452.A O no hydrogen 3.186 N/A LEU 445.A N ASP 443.A O no hydrogen 2.607 N/A GLY 449.A N ASN 446.A O no hydrogen 3.311 N/A THR 451.A OG1 ASN 417.A OD1 no hydrogen 3.470 N/A GLY 452.A N ASN 415.A O no hydrogen 2.953 N/A ASN 454.A N ASN 433.A O no hydrogen 2.943 N/A ASN 454.A ND2 LEU 434.A O no hydrogen 3.000 N/A ASN 456.A N ASN 454.A OD1 no hydrogen 2.866 N/A LYS 457.A NZ ASN 454.A O no hydrogen 3.028 N/A THR 459.A OG1 ASN 433.A OD1 no hydrogen 3.027 N/A THR 459.A OG1 ASN 456.A O no hydrogen 2.726 N/A CYS 461.A N THR 338.A OG1 no hydrogen 3.060 N/A CYS 461.A SG LEU 432.A O no hydrogen 3.971 N/A LEU 462.A N LEU 432.A O no hydrogen 2.854 N/A GLU 463.A N CYS 336.A O no hydrogen 2.945 N/A LEU 464.A N MET 430.A O no hydrogen 2.761 N/A GLU 465.A N LYS 333.A O no hydrogen 2.900 N/A PHE 466.A N GLY 428.A O no hydrogen 2.882 N/A SER 471.A OG VAL 472.A O no hydrogen 3.195 N/A LYS 474.A N LYS 321.A O no hydrogen 2.849 N/A LYS 474.A NZ THR 422.A O no hydrogen 3.238 N/A PHE 475.A N ASP 423.A O no hydrogen 2.981 N/A ILE 481.A N ASP 477.A O no hydrogen 3.025 N/A GLU 482.A N MET 478.A O no hydrogen 2.897 N/A HIS 484.A N VAL 480.A O no hydrogen 3.189 N/A HIS 484.A NE2 ASP 560.A OD1 no hydrogen 3.175 N/A ALA 485.A N ILE 481.A O no hydrogen 2.986 N/A ASN 486.A N GLU 482.A O no hydrogen 3.132 N/A TRP 487.A N GLU 483.A O no hydrogen 3.006 N/A SER 488.A N HIS 484.A O no hydrogen 3.085 N/A SER 488.A OG HIS 484.A O no hydrogen 2.824 N/A SER 488.A OG ALA 485.A O no hydrogen 3.325 N/A VAL 489.A N ALA 485.A O no hydrogen 2.920 N/A SER 490.A N ASN 486.A O no hydrogen 3.240 N/A SER 490.A N TRP 487.A O no hydrogen 3.028 N/A SER 490.A OG ASN 486.A O no hydrogen 2.623 N/A ARG 491.A N TRP 487.A O no hydrogen 3.238 N/A GLY 494.A N ARG 491.A O no hydrogen 3.195 N/A PHE 495.A N GLU 492.A O no hydrogen 3.171 N/A SER 498.A N SER 496.A O no hydrogen 2.396 N/A SER 498.A OG TYR 497.A O no hydrogen 2.690 N/A SER 503.A OG ALA 500.A O no hydrogen 2.376 N/A GLN 512.A N ASP 509.A O no hydrogen 3.453 N/A LEU 513.A N LYS 510.A O no hydrogen 2.960 N/A LYS 514.A N GLU 511.A O no hydrogen 3.031 N/A ALA 515.A N GLN 512.A O no hydrogen 3.090 N/A SER 517.A N LYS 514.A O no hydrogen 3.438 N/A SER 517.A OG LYS 514.A O no hydrogen 2.972 N/A THR 518.A OG1 ALA 515.A O no hydrogen 3.068 N/A ARG 519.A NE SER 523.A OG no hydrogen 2.714 N/A ARG 519.A NH1 GLU 529.A OE1 no hydrogen 3.028 N/A ARG 519.A NH1 GLU 529.A OE2 no hydrogen 3.524 N/A ARG 519.A NH2 SER 523.A OG no hydrogen 3.173 N/A ARG 519.A NH2 GLU 529.A OE2 no hydrogen 3.406 N/A LEU 522.A N ASP 520.A OD2 no hydrogen 3.127 N/A SER 523.A N ASP 520.A O no hydrogen 2.974 N/A THR 526.A N GLU 529.A OE2 no hydrogen 3.331 N/A GLN 528.A N GLN 528.A OE1 no hydrogen 3.100 N/A GLU 529.A N THR 526.A OG1 no hydrogen 3.108 N/A LYS 530.A N THR 526.A O no hydrogen 2.891 N/A LYS 530.A NZ GLU 527.A OE2 no hydrogen 3.517 N/A ASP 531.A N GLU 527.A O no hydrogen 2.871 N/A PHE 532.A N GLN 528.A O no hydrogen 2.775 N/A LEU 533.A N GLU 529.A O no hydrogen 2.864 N/A TRP 534.A N LYS 530.A O no hydrogen 3.254 N/A SER 535.A N ASP 531.A O no hydrogen 3.138 N/A SER 535.A OG GLY 501.A O no hydrogen 2.945 N/A SER 535.A OG ASP 531.A O no hydrogen 2.653 N/A HIS 536.A N PHE 532.A O no hydrogen 3.246 N/A HIS 536.A N LEU 533.A O no hydrogen 3.006 N/A HIS 536.A ND1 PHE 532.A O no hydrogen 3.161 N/A ARG 537.A N TRP 534.A O no hydrogen 3.366 N/A ARG 537.A NH1 TRP 534.A O no hydrogen 2.696 N/A ARG 537.A NH2 GLN 564.A OE1 no hydrogen 2.620 N/A TYR 539.A N HIS 536.A O no hydrogen 2.851 N/A CYS 540.A SG HIS 536.A O no hydrogen 3.398 N/A THR 542.A N TYR 539.A O no hydrogen 3.246 N/A THR 542.A OG1 TYR 539.A O no hydrogen 2.624 N/A ILE 543.A N CYS 540.A O no hydrogen 2.621 N/A ILE 546.A N ILE 543.A O no hydrogen 3.271 N/A LEU 547.A N PRO 544.A O no hydrogen 3.220 N/A LYS 549.A NZ ARG 519.A O no hydrogen 2.641 N/A LEU 550.A N ILE 546.A O no hydrogen 3.029 N/A LEU 551.A N LEU 547.A O no hydrogen 2.812 N/A LEU 552.A N PRO 548.A O no hydrogen 3.198 N/A SER 553.A N LEU 550.A O no hydrogen 2.864 N/A SER 553.A OG LYS 549.A O no hydrogen 3.205 N/A VAL 554.A N LEU 550.A O no hydrogen 3.186 N/A LYS 555.A N GLU 561.A OE1 no hydrogen 2.879 N/A TRP 556.A NE1 LEU 551.A O no hydrogen 3.030 N/A ASN 557.A ND2 PRO 362.A O no hydrogen 2.874 N/A SER 558.A N LYS 555.A O no hydrogen 2.968 N/A ARG 559.A N ASP 391.A OD1 no hydrogen 3.466 N/A VAL 562.A N SER 558.A O no hydrogen 2.994 N/A ALA 563.A N ARG 559.A O no hydrogen 3.008 N/A GLN 564.A NE2 ASP 560.A O no hydrogen 3.612 N/A MET 565.A N GLU 561.A O no hydrogen 2.920 N/A TYR 566.A N VAL 562.A O no hydrogen 2.986 N/A TYR 566.A OH ASP 590.A OD2 no hydrogen 2.294 N/A CYS 567.A N ALA 563.A O no hydrogen 3.245 N/A LEU 568.A N GLN 564.A O no hydrogen 3.031 N/A VAL 569.A N MET 565.A O no hydrogen 2.792 N/A LYS 570.A N TYR 566.A O no hydrogen 2.839 N/A LYS 570.A N CYS 567.A O no hydrogen 3.234 N/A LYS 570.A NZ GLU 482.A OE1 no hydrogen 2.789 N/A TRP 572.A N VAL 569.A O no hydrogen 3.357 N/A TRP 572.A NE1 PRO 544.A O no hydrogen 2.993 N/A ALA 580.A N LYS 576.A O no hydrogen 3.178 N/A MET 581.A N PRO 577.A O no hydrogen 3.163 N/A LEU 583.A N ALA 580.A O no hydrogen 2.975 N/A LEU 584.A N MET 581.A O no hydrogen 2.947 N/A ASP 585.A N GLU 582.A O no hydrogen 3.328 N/A ASN 587.A N ASP 585.A OD1 no hydrogen 2.576 N/A TYR 588.A N ASP 585.A O no hydrogen 3.421 N/A TYR 588.A OH PRO 548.A O no hydrogen 2.984 N/A MET 592.A N ASP 590.A OD1 no hydrogen 2.905 N/A VAL 593.A N ASP 590.A OD1 no hydrogen 3.158 N/A ARG 594.A N ASP 590.A O no hydrogen 3.133 N/A ARG 594.A NE TYR 588.A O no hydrogen 2.937 N/A ARG 594.A NH2 LEU 584.A O no hydrogen 2.601 N/A GLY 595.A N PRO 591.A O no hydrogen 3.035 N/A GLY 595.A N MET 592.A O no hydrogen 3.237 N/A PHE 596.A N MET 592.A O no hydrogen 3.162 N/A ALA 597.A N VAL 593.A O no hydrogen 3.174 N/A VAL 598.A N ARG 594.A O no hydrogen 2.974 N/A ARG 599.A N GLY 595.A O no hydrogen 3.038 N/A CYS 600.A N PHE 596.A O no hydrogen 3.166 N/A CYS 600.A SG ILE 575.A O no hydrogen 3.493 N/A CYS 600.A SG PHE 596.A O no hydrogen 3.651 N/A LEU 601.A N ALA 597.A O no hydrogen 3.238 N/A GLU 602.A N VAL 598.A O no hydrogen 2.972 N/A LYS 603.A N CYS 600.A O no hydrogen 2.969 N/A TYR 604.A N CYS 600.A O no hydrogen 2.796 N/A LEU 605.A N LEU 601.A O no hydrogen 3.155 N/A LYS 609.A N THR 606.A OG1 no hydrogen 3.033 N/A LEU 610.A N THR 606.A O no hydrogen 2.944 N/A SER 611.A N ASP 607.A O no hydrogen 2.945 N/A SER 611.A OG ASP 607.A O no hydrogen 3.429 N/A GLN 612.A N ASP 608.A O no hydrogen 2.964 N/A TYR 613.A N LYS 609.A O no hydrogen 2.908 N/A TYR 613.A N LEU 610.A O no hydrogen 3.226 N/A TYR 613.A OH GLU 578.A OE2 no hydrogen 3.351 N/A LEU 614.A N SER 611.A O no hydrogen 3.512 N/A GLN 616.A NE2 GLN 797.A OE1 no hydrogen 2.763 N/A LEU 617.A N TYR 613.A O no hydrogen 3.070 N/A VAL 618.A N LEU 614.A O no hydrogen 2.815 N/A GLN 619.A N ILE 615.A O no hydrogen 3.246 N/A GLN 619.A NE2 GLU 656.A OE1 no hydrogen 3.005 N/A GLN 619.A NE2 GLU 656.A OE2 no hydrogen 3.529 N/A VAL 620.A N GLN 616.A O no hydrogen 2.964 N/A LEU 621.A N VAL 618.A O no hydrogen 3.133 N/A LYS 622.A N GLN 619.A O no hydrogen 2.976 N/A LYS 622.A NZ GLN 619.A OE1 no hydrogen 3.363 N/A LYS 622.A NZ GLU 656.A OE2 no hydrogen 2.782 N/A TYR 623.A N VAL 620.A O no hydrogen 3.182 N/A GLU 624.A N LEU 621.A O no hydrogen 3.465 N/A GLN 625.A NE2 ASN 417.A OD1 no hydrogen 2.885 N/A TYR 626.A OH PHE 419.A O no hydrogen 2.686 N/A LEU 627.A N GLU 142.A OE2 no hydrogen 2.872 N/A ARG 633.A N ASN 629.A O no hydrogen 3.329 N/A ARG 633.A NE ASP 628.A OD1 no hydrogen 2.745 N/A ARG 633.A NH2 ASN 149.A O no hydrogen 3.139 N/A ARG 633.A NH2 ASP 628.A OD1 no hydrogen 3.035 N/A ARG 633.A NH2 ASP 628.A OD2 no hydrogen 2.833 N/A PHE 634.A N LEU 630.A O no hydrogen 3.070 N/A LEU 635.A N LEU 631.A O no hydrogen 2.948 N/A LEU 636.A N VAL 632.A O no hydrogen 2.825 N/A LYS 637.A N ARG 633.A O no hydrogen 2.987 N/A LYS 637.A NZ GLU 156.A OE1 no hydrogen 3.177 N/A LYS 638.A N PHE 634.A O no hydrogen 3.044 N/A ALA 639.A N LEU 635.A O no hydrogen 2.770 N/A LEU 640.A N LEU 636.A O no hydrogen 2.965 N/A LEU 640.A N LYS 637.A O no hydrogen 3.146 N/A THR 641.A N LYS 638.A O no hydrogen 2.982 N/A THR 641.A OG1 LYS 637.A O no hydrogen 2.635 N/A ASN 642.A N LYS 638.A O no hydrogen 2.930 N/A ASN 642.A ND2 ASP 607.A OD2 no hydrogen 3.118 N/A GLN 643.A N TYR 172.A O no hydrogen 3.012 N/A ARG 644.A NH1 PRO 175.A O no hydrogen 3.092 N/A ARG 644.A NH2 PRO 176.A O no hydrogen 3.185 N/A ILE 645.A N ASN 642.A OD1 no hydrogen 2.930 N/A GLY 646.A N ASN 642.A O no hydrogen 2.726 N/A HIS 647.A N GLN 643.A O no hydrogen 2.783 N/A HIS 647.A ND1 TYR 680.A OH no hydrogen 2.617 N/A HIS 647.A NE2 PRO 736.A O no hydrogen 2.839 N/A PHE 649.A N ILE 645.A O no hydrogen 2.997 N/A PHE 650.A N GLY 646.A O no hydrogen 2.921 N/A TRP 651.A N HIS 647.A O no hydrogen 3.167 N/A TRP 651.A NE1 GLN 687.A OE1 no hydrogen 2.968 N/A HIS 652.A N PHE 648.A O no hydrogen 2.814 N/A LEU 653.A N PHE 649.A O no hydrogen 3.167 N/A LYS 654.A N PHE 650.A O no hydrogen 2.729 N/A LYS 654.A NZ ALA 127.A O no hydrogen 2.605 N/A SER 655.A N TRP 651.A O no hydrogen 2.916 N/A SER 655.A OG TRP 651.A O no hydrogen 3.242 N/A SER 655.A OG HIS 652.A O no hydrogen 3.057 N/A GLU 656.A N LEU 653.A O no hydrogen 3.225 N/A MET 657.A N LYS 654.A O no hydrogen 3.125 N/A ASN 659.A N GLU 656.A O no hydrogen 2.971 N/A VAL 662.A N ASN 659.A O no hydrogen 2.956 N/A SER 663.A N ASN 659.A O no hydrogen 2.861 N/A SER 663.A OG MET 657.A O no hydrogen 2.892 N/A SER 663.A OG ASN 659.A O no hydrogen 3.116 N/A ARG 665.A NH1 TYR 626.A O no hydrogen 3.487 N/A ARG 665.A NH2 GLU 624.A O no hydrogen 2.726 N/A PHE 666.A N VAL 662.A O no hydrogen 2.972 N/A GLY 667.A N SER 663.A O no hydrogen 2.648 N/A LEU 668.A N GLN 664.A O no hydrogen 2.874 N/A LEU 669.A N ARG 665.A O no hydrogen 3.172 N/A LEU 670.A N PHE 666.A O no hydrogen 2.703 N/A GLU 671.A N GLY 667.A O no hydrogen 2.758 N/A SER 672.A N LEU 668.A O no hydrogen 3.100 N/A SER 672.A OG LEU 669.A O no hydrogen 2.894 N/A TYR 673.A N LEU 669.A O no hydrogen 2.944 N/A CYS 674.A N LEU 670.A O no hydrogen 2.787 N/A CYS 674.A SG LEU 670.A O no hydrogen 3.288 N/A ARG 675.A N GLU 671.A O no hydrogen 3.072 N/A ARG 675.A NH2 GLU 671.A OE1 no hydrogen 3.279 N/A ALA 676.A N TYR 673.A O no hydrogen 3.075 N/A CYS 677.A SG CYS 674.A O no hydrogen 3.709 N/A CYS 677.A SG GLY 678.A O no hydrogen 3.759 N/A TYR 680.A OH HIS 647.A ND1 no hydrogen 2.617 N/A LEU 681.A N GLY 678.A O no hydrogen 3.452 N/A LYS 682.A N MET 679.A O no hydrogen 3.253 N/A LEU 684.A N TYR 680.A O no hydrogen 2.726 N/A ASN 685.A N LEU 681.A O no hydrogen 2.831 N/A ASN 685.A ND2 GLU 123.A O no hydrogen 3.460 N/A ARG 686.A N LYS 682.A O no hydrogen 3.157 N/A GLN 687.A N HIS 683.A O no hydrogen 3.204 N/A GLN 687.A NE2 TYR 680.A OH no hydrogen 3.184 N/A GLN 687.A NE2 HIS 683.A O no hydrogen 3.591 N/A VAL 688.A N LEU 684.A O no hydrogen 2.827 N/A GLU 689.A N ASN 685.A O no hydrogen 3.025 N/A ALA 690.A N ARG 686.A O no hydrogen 3.157 N/A MET 691.A N GLN 687.A O no hydrogen 3.099 N/A GLU 692.A N VAL 688.A O no hydrogen 2.930 N/A LYS 693.A N GLU 689.A O no hydrogen 3.087 N/A LYS 693.A NZ ASP 98.A OD1 no hydrogen 3.094 N/A LEU 694.A N ALA 690.A O no hydrogen 3.089 N/A ILE 695.A N MET 691.A O no hydrogen 2.848 N/A ASN 696.A N GLU 692.A O no hydrogen 2.943 N/A LEU 697.A N LYS 693.A O no hydrogen 2.722 N/A THR 698.A N LEU 694.A O no hydrogen 2.940 N/A THR 698.A OG1 LEU 694.A O no hydrogen 3.061 N/A THR 698.A OG1 ILE 695.A O no hydrogen 3.347 N/A ASP 699.A N ILE 695.A O no hydrogen 2.953 N/A ILE 700.A N ASN 696.A O no hydrogen 3.280 N/A LEU 701.A N LEU 697.A O no hydrogen 3.280 N/A LYS 702.A N ASP 699.A O no hydrogen 3.033 N/A LYS 702.A NZ ASN 785.A OD1 no hydrogen 2.942 N/A GLN 703.A N ASP 699.A O no hydrogen 2.983 N/A LYS 706.A N GLN 703.A O no hydrogen 2.911 N/A VAL 712.A N THR 709.A O no hydrogen 2.602 N/A GLN 713.A N THR 709.A O no hydrogen 3.345 N/A GLN 713.A NE2 LYS 706.A O no hydrogen 3.192 N/A MET 714.A N GLN 710.A O no hydrogen 3.022 N/A LYS 715.A N LYS 711.A O no hydrogen 3.084 N/A PHE 716.A N VAL 712.A O no hydrogen 3.204 N/A LEU 717.A N GLN 713.A O no hydrogen 3.005 N/A VAL 718.A N MET 714.A O no hydrogen 2.978 N/A GLU 719.A N LYS 715.A O no hydrogen 3.096 N/A GLN 720.A N PHE 716.A O no hydrogen 3.054 N/A GLN 720.A NE2 PHE 716.A O no hydrogen 3.403 N/A MET 721.A N LEU 717.A O no hydrogen 3.153 N/A ARG 723.A N GLN 720.A O no hydrogen 3.365 N/A ARG 723.A NE GLN 720.A OE1 no hydrogen 2.915 N/A ARG 723.A NH1 GLU 46.A OE2 no hydrogen 2.778 N/A ARG 723.A NH2 GLN 720.A OE1 no hydrogen 3.196 N/A PHE 726.A N ARG 723.A O no hydrogen 3.111 N/A MET 727.A N ARG 723.A O no hydrogen 3.062 N/A ASP 728.A N PRO 724.A O no hydrogen 2.935 N/A ALA 729.A N ASP 725.A O no hydrogen 3.239 N/A LEU 730.A N PHE 726.A O no hydrogen 2.952 N/A GLN 731.A NE2 MET 727.A O no hydrogen 3.251 N/A GLY 732.A N LEU 743.A O no hydrogen 2.921 N/A GLY 732.A N GLY 744.A O no hydrogen 3.247 N/A PHE 733.A N LEU 743.A O no hydrogen 3.145 N/A SER 735.A N HIS 741.A O no hydrogen 2.885 N/A LEU 737.A N SER 735.A OG no hydrogen 3.280 N/A ASN 738.A N SER 735.A O no hydrogen 2.984 N/A HIS 741.A N ASN 738.A O no hydrogen 2.828 N/A LEU 743.A N PHE 733.A O no hydrogen 2.832 N/A GLY 744.A N GLU 766.A O no hydrogen 3.009 N/A LEU 746.A N GLN 731.A OE1 no hydrogen 2.914 N/A ARG 747.A N ASN 764.A O no hydrogen 2.810 N/A ARG 747.A NH1 ASN 764.A OD1 no hydrogen 2.626 N/A ARG 747.A NH2 GLU 773.A OE2 no hydrogen 3.399 N/A GLU 749.A N GLU 749.A OE1 no hydrogen 2.602 N/A GLU 750.A N ARG 747.A O no hydrogen 3.014 N/A CYS 751.A N LEU 748.A O no hydrogen 3.131 N/A CYS 751.A SG ARG 747.A O no hydrogen 3.367 N/A ARG 752.A N TRP 762.A O no hydrogen 2.982 N/A MET 754.A N PRO 760.A O no hydrogen 2.984 N/A ARG 759.A NH1 GLN 713.A OE1 no hydrogen 2.974 N/A LEU 761.A N PHE 783.A O no hydrogen 3.135 N/A TRP 762.A N ARG 752.A O no hydrogen 2.746 N/A TRP 762.A NE1 GLU 780.A OE2 no hydrogen 3.025 N/A LEU 763.A N ILE 781.A O no hydrogen 2.935 N/A ASN 764.A ND2 ASN 778.A OD1 no hydrogen 3.659 N/A TRP 765.A N ASN 779.A O no hydrogen 2.870 N/A TRP 765.A NE1 LEU 730.A O no hydrogen 2.776 N/A GLU 766.A N ASN 745.A O no hydrogen 2.811 N/A SER 772.A N ASP 769.A O no hydrogen 3.308 N/A SER 772.A OG ASN 767.A O no hydrogen 2.900 N/A SER 772.A OG ASP 769.A O no hydrogen 2.716 N/A LEU 775.A N GLU 773.A O no hydrogen 2.705 N/A PHE 776.A N GLU 773.A O no hydrogen 3.477 N/A ASN 779.A N TRP 765.A O no hydrogen 2.990 N/A ILE 781.A N LEU 763.A O no hydrogen 3.088 N/A ILE 782.A N ILE 830.A O no hydrogen 2.774 N/A PHE 783.A N LEU 761.A O no hydrogen 2.758 N/A LYS 784.A N GLY 828.A O no hydrogen 2.841 N/A ASN 785.A ND2 THR 698.A OG1 no hydrogen 2.737 N/A ASN 785.A ND2 ASP 699.A OD1 no hydrogen 2.975 N/A GLY 786.A N CYS 826.A O no hydrogen 2.915 N/A ARG 790.A N ASP 788.A OD1 no hydrogen 3.064 N/A ARG 790.A NE ASP 788.A OD1 no hydrogen 3.129 N/A ARG 790.A NE ASP 788.A OD2 no hydrogen 3.156 N/A ARG 790.A NH2 ASP 788.A OD2 no hydrogen 2.840 N/A GLN 791.A N GLN 791.A OE1 no hydrogen 2.872 N/A GLN 791.A NE2 GLU 982.A OE1 no hydrogen 2.646 N/A GLN 791.A NE2 GLU 982.A OE2 no hydrogen 3.446 N/A MET 793.A N LEU 789.A O no hydrogen 3.154 N/A LEU 794.A N ARG 790.A O no hydrogen 2.928 N/A THR 795.A N GLN 791.A O no hydrogen 2.877 N/A THR 795.A OG1 GLN 791.A O no hydrogen 2.640 N/A LEU 796.A N ASP 792.A O no hydrogen 2.770 N/A GLN 797.A N MET 793.A O no hydrogen 2.940 N/A GLN 797.A NE2 GLN 612.A O no hydrogen 2.639 N/A GLN 797.A NE2 GLN 616.A OE1 no hydrogen 2.655 N/A ILE 798.A N LEU 794.A O no hydrogen 2.932 N/A ILE 799.A N THR 795.A O no hydrogen 2.935 N/A ARG 800.A N LEU 796.A O no hydrogen 3.135 N/A ARG 800.A NH2 PRO 817.A O no hydrogen 3.476 N/A ILE 801.A N GLN 797.A O no hydrogen 2.987 N/A MET 802.A N ILE 798.A O no hydrogen 2.746 N/A GLU 803.A N ILE 799.A O no hydrogen 2.885 N/A ASN 804.A N ARG 800.A O no hydrogen 3.043 N/A ILE 805.A N ILE 801.A O no hydrogen 3.049 N/A TRP 806.A N MET 802.A O no hydrogen 3.163 N/A TRP 806.A NE1 ALA 957.A O no hydrogen 2.945 N/A GLN 807.A N GLU 803.A O no hydrogen 2.933 N/A GLN 807.A NE2 ASP 812.A OD1 no hydrogen 3.011 N/A ASN 808.A N ASN 804.A O no hydrogen 2.900 N/A GLN 809.A N TRP 806.A O no hydrogen 2.962 N/A GLN 809.A NE2 GLN 963.A OE1 no hydrogen 3.442 N/A LEU 811.A N TRP 806.A O no hydrogen 2.852 N/A LEU 813.A N LEU 811.A O no hydrogen 3.094 N/A MET 815.A N GLU 803.A OE2 no hydrogen 2.960 N/A LEU 816.A N TYR 886.A OH no hydrogen 2.743 N/A TYR 818.A N LEU 816.A O no hydrogen 3.047 N/A GLY 819.A N GLU 831.A OE1 no hydrogen 2.820 N/A LEU 821.A N LEU 829.A O no hydrogen 3.038 N/A SER 822.A OG GLY 824.A O no hydrogen 3.480 N/A ILE 823.A N VAL 827.A O no hydrogen 2.788 N/A CYS 826.A SG GLY 786.A O no hydrogen 3.850 N/A VAL 827.A N GLY 824.A O no hydrogen 3.478 N/A GLY 828.A N LYS 784.A O no hydrogen 2.867 N/A LEU 829.A N LEU 821.A O no hydrogen 2.920 N/A ILE 830.A N ILE 782.A O no hydrogen 2.936 N/A GLU 831.A N GLY 819.A O no hydrogen 2.931 N/A VAL 832.A N GLU 780.A O no hydrogen 3.144 N/A ARG 834.A NE GLU 780.A OE1 no hydrogen 2.841 N/A ASN 835.A ND2 HIS 6.A ND1 no hydrogen 3.574 N/A SER 836.A OG VAL 833.A O no hydrogen 2.868 N/A HIS 837.A N VAL 905.A O no hydrogen 3.040 N/A THR 838.A N GLN 841.A OE1 no hydrogen 2.996 N/A THR 838.A OG1 ASN 900.A O no hydrogen 3.550 N/A ILE 839.A N ILE 903.A O no hydrogen 2.865 N/A MET 840.A N ASN 900.A O no hydrogen 2.875 N/A GLN 841.A N THR 838.A OG1 no hydrogen 2.880 N/A ILE 842.A N THR 838.A O no hydrogen 3.079 N/A GLN 843.A N ILE 839.A O no hydrogen 2.902 N/A GLN 843.A NE2 ASP 929.A OD2 no hydrogen 3.048 N/A CYS 844.A N MET 840.A O no hydrogen 2.923 N/A CYS 844.A SG MET 840.A O no hydrogen 3.633 N/A LYS 845.A N GLN 841.A O no hydrogen 3.338 N/A GLY 850.A N GLY 846.A O no hydrogen 2.981 N/A PHE 854.A N THR 1023.A OG1 no hydrogen 2.807 N/A ASN 855.A ND2 PHE 854.A O no hydrogen 3.099 N/A HIS 857.A N ASN 855.A OD1 no hydrogen 2.947 N/A THR 858.A N ASN 855.A O no hydrogen 2.971 N/A THR 858.A OG1 ASN 855.A O no hydrogen 2.814 N/A HIS 860.A NE2 TYR 872.A OH no hydrogen 2.662 N/A GLN 861.A N HIS 857.A O no hydrogen 2.808 N/A TRP 862.A N THR 858.A O no hydrogen 2.803 N/A LEU 863.A N LEU 859.A O no hydrogen 3.160 N/A LYS 864.A N HIS 860.A O no hydrogen 2.938 N/A LYS 864.A N GLN 861.A O no hydrogen 3.168 N/A ASP 865.A N GLN 861.A O no hydrogen 3.023 N/A LYS 866.A NZ ASP 907.A OD2 no hydrogen 3.155 N/A TYR 872.A OH HIS 860.A NE2 no hydrogen 2.662 N/A ALA 875.A N ILE 871.A O no hydrogen 3.382 N/A ILE 876.A N TYR 872.A O no hydrogen 3.128 N/A ASP 877.A N ASP 873.A O no hydrogen 3.061 N/A LEU 878.A N ALA 874.A O no hydrogen 2.754 N/A PHE 879.A N ALA 875.A O no hydrogen 2.880 N/A THR 880.A N ILE 876.A O no hydrogen 2.907 N/A THR 880.A OG1 ILE 876.A O no hydrogen 2.730 N/A ARG 881.A N ASP 877.A O no hydrogen 2.823 N/A ARG 881.A NE ASP 812.A O no hydrogen 3.165 N/A ARG 881.A NH1 ASP 877.A OD1 no hydrogen 2.676 N/A ARG 881.A NH1 ASP 877.A OD2 no hydrogen 3.136 N/A SER 882.A N LEU 878.A O no hydrogen 2.904 N/A SER 882.A OG LEU 878.A O no hydrogen 3.078 N/A SER 882.A OG PHE 879.A O no hydrogen 3.192 N/A CYS 883.A N PHE 879.A O no hydrogen 2.794 N/A ALA 884.A N THR 880.A O no hydrogen 3.077 N/A GLY 885.A N ARG 881.A O no hydrogen 3.212 N/A TYR 886.A N SER 882.A O no hydrogen 3.085 N/A CYS 887.A N CYS 883.A O no hydrogen 2.914 N/A VAL 888.A N ALA 884.A O no hydrogen 3.117 N/A VAL 888.A N GLY 885.A O no hydrogen 3.261 N/A ALA 889.A N GLY 885.A O no hydrogen 2.982 N/A THR 890.A N TYR 886.A O no hydrogen 2.988 N/A ILE 892.A N VAL 888.A O no hydrogen 2.956 N/A LEU 893.A N ALA 889.A O no hydrogen 2.885 N/A GLY 894.A N PHE 891.A O no hydrogen 3.120 N/A ILE 895.A N THR 890.A O no hydrogen 3.036 N/A ARG 898.A NH1 HIS 913.A ND1 no hydrogen 3.183 N/A ARG 898.A NH1 ILE 914.A O no hydrogen 3.259 N/A ARG 898.A NH2 ASP 915.A O no hydrogen 3.348 N/A ASN 902.A N HIS 899.A O no hydrogen 2.834 N/A MET 904.A N PHE 912.A O no hydrogen 2.571 N/A VAL 905.A N HIS 837.A O no hydrogen 2.794 N/A LYS 906.A N GLN 910.A O no hydrogen 2.797 N/A LYS 906.A NZ HIS 5.A O no hydrogen 2.759 N/A LYS 906.A NZ ASP 908.A OD1 no hydrogen 2.723 N/A LYS 906.A NZ ASP 908.A OD2 no hydrogen 3.010 N/A ASP 907.A N ASN 835.A O no hydrogen 3.280 N/A GLY 909.A N LYS 906.A O no hydrogen 2.835 N/A GLN 910.A N ASP 908.A OD2 no hydrogen 3.238 N/A LEU 911.A N SER 882.A OG no hydrogen 2.840 N/A PHE 912.A N MET 904.A O no hydrogen 3.106 N/A ILE 914.A N ASN 902.A O no hydrogen 2.903 N/A PHE 916.A N ASP 792.A OD1 no hydrogen 2.758 N/A GLN 928.A N GLY 1019.A O no hydrogen 2.687 N/A PHE 930.A N THR 927.A OG1 no hydrogen 3.426 N/A LEU 931.A N THR 927.A O no hydrogen 3.132 N/A ILE 932.A N GLN 928.A O no hydrogen 2.817 N/A VAL 933.A N ASP 929.A O no hydrogen 3.078 N/A ILE 934.A N PHE 930.A O no hydrogen 3.022 N/A SER 935.A OG THR 944.A OG1 no hydrogen 2.765 N/A CYS 941.A SG ALA 938.A O no hydrogen 3.976 N/A CYS 941.A SG GLN 939.A O no hydrogen 3.886 N/A THR 944.A OG1 SER 935.A OG no hydrogen 2.765 N/A PHE 947.A N THR 944.A OG1 no hydrogen 3.385 N/A GLU 948.A N THR 944.A O no hydrogen 3.406 N/A ARG 949.A N ARG 945.A O no hydrogen 3.066 N/A PHE 950.A N GLU 946.A O no hydrogen 2.992 N/A GLN 951.A N PHE 947.A O no hydrogen 2.875 N/A GLU 952.A N GLU 948.A O no hydrogen 2.926 N/A MET 953.A N ARG 949.A O no hydrogen 3.085 N/A CYS 954.A N PHE 950.A O no hydrogen 3.177 N/A CYS 954.A SG PHE 950.A O no hydrogen 3.361 N/A TYR 955.A N GLN 951.A O no hydrogen 2.908 N/A LYS 956.A N GLU 952.A O no hydrogen 2.859 N/A ALA 957.A N MET 953.A O no hydrogen 2.813 N/A TYR 958.A N CYS 954.A O no hydrogen 2.919 N/A TYR 958.A OH THR 995.A O no hydrogen 2.812 N/A LEU 959.A N TYR 955.A O no hydrogen 3.076 N/A ALA 960.A N LYS 956.A O no hydrogen 3.169 N/A ILE 961.A N ALA 957.A O no hydrogen 3.252 N/A ARG 962.A N TYR 958.A O no hydrogen 2.965 N/A GLN 963.A N LEU 959.A O no hydrogen 2.851 N/A HIS 964.A N ALA 960.A O no hydrogen 3.217 N/A HIS 964.A N ILE 961.A O no hydrogen 2.922 N/A ALA 965.A N ARG 962.A O no hydrogen 3.139 N/A LEU 967.A N HIS 964.A O no hydrogen 3.101 N/A ASN 970.A N ASN 966.A O no hydrogen 2.927 N/A ASN 970.A ND2 GLU 582.A OE2 no hydrogen 3.315 N/A LEU 971.A N LEU 967.A O no hydrogen 2.760 N/A PHE 972.A N PHE 968.A O no hydrogen 2.952 N/A SER 973.A N ILE 969.A O no hydrogen 2.803 N/A SER 973.A OG ILE 969.A O no hydrogen 2.871 N/A MET 974.A N ASN 970.A O no hydrogen 2.986 N/A MET 975.A N PHE 972.A O no hydrogen 3.069 N/A LEU 976.A N SER 973.A O no hydrogen 3.387 N/A SER 978.A OG MET 975.A O no hydrogen 3.094 N/A GLU 982.A N GLU 982.A OE1 no hydrogen 2.738 N/A LEU 983.A N MET 980.A O no hydrogen 3.015 N/A GLN 984.A N ASP 988.A OD2 no hydrogen 2.792 N/A GLN 984.A NE2 PRO 981.A O no hydrogen 2.774 N/A SER 985.A N ASP 988.A OD2 no hydrogen 3.450 N/A SER 985.A OG ASP 987.A OD1 no hydrogen 2.992 N/A SER 985.A OG ASP 988.A OD1 no hydrogen 3.161 N/A ASP 988.A N SER 985.A O no hydrogen 2.970 N/A ILE 989.A N PHE 986.A O no hydrogen 2.966 N/A ALA 990.A N PHE 986.A O no hydrogen 3.299 N/A TYR 991.A N ASP 988.A O no hydrogen 3.497 N/A ILE 992.A N ILE 989.A O no hydrogen 3.125 N/A ARG 993.A NE ASP 520.A OD2 no hydrogen 2.778 N/A ARG 993.A NH2 ASP 520.A OD1 no hydrogen 3.165 N/A ARG 993.A NH2 ASP 520.A OD2 no hydrogen 3.392 N/A ARG 993.A NH2 ASP 999.A OD1 no hydrogen 3.023 N/A LYS 994.A N ALA 990.A O no hydrogen 3.057 N/A LYS 994.A N TYR 991.A O no hydrogen 3.065 N/A THR 995.A N TYR 991.A O no hydrogen 2.922 N/A THR 995.A OG1 ILE 892.A O no hydrogen 3.540 N/A THR 995.A OG1 TYR 991.A O no hydrogen 2.679 N/A LEU 996.A N ILE 992.A O no hydrogen 2.960 N/A ASP 999.A N ALA 997.A O no hydrogen 2.767 N/A THR 1001.A OG1 GLU 1004.A OE1 no hydrogen 3.314 N/A ALA 1005.A N THR 1001.A O no hydrogen 2.874 N/A LEU 1006.A N GLU 1002.A O no hydrogen 2.933 N/A GLU 1007.A N GLN 1003.A O no hydrogen 3.317 N/A TYR 1008.A N GLU 1004.A O no hydrogen 2.859 N/A PHE 1009.A N ALA 1005.A O no hydrogen 2.767 N/A MET 1010.A N LEU 1006.A O no hydrogen 2.773 N/A LYS 1011.A N GLU 1007.A O no hydrogen 2.991 N/A GLN 1012.A N TYR 1008.A O no hydrogen 3.015 N/A MET 1013.A N PHE 1009.A O no hydrogen 3.038 N/A MET 1013.A N MET 1010.A O no hydrogen 3.048 N/A ASN 1014.A N MET 1010.A O no hydrogen 2.796 N/A ASP 1015.A N LYS 1011.A O no hydrogen 3.219 N/A ARG 1017.A N ASP 1015.A O no hydrogen 2.493 N/A LYS 1024.A N THR 1022.A O no hydrogen 2.322 N/A LYS 1024.A NZ MET 1025.A O no hydrogen 3.154 N/A PHE 1029.A N ASP 1026.A OD1 no hydrogen 2.751 N/A THR 1031.A N ASP 1026.A OD2 no hydrogen 2.808 N/A THR 1031.A OG1 ASP 1026.A OD2 no hydrogen 2.657 N/A