Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dw5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N LEU 21.A O no hydrogen 3.005 N/A ILE 4.A N GLN 23.A O no hydrogen 2.940 N/A VAL 6.A N ASP 25.A O no hydrogen 3.148 N/A THR 7.A OG1 GLN 10.A O no hydrogen 2.699 N/A THR 12.A N LEU 88.A O no hydrogen 2.887 N/A ALA 14.A N TYR 90.A O no hydrogen 3.083 N/A CYS 16.A N THR 92.A O no hydrogen 2.758 N/A CYS 16.A SG THR 22.A OG1 no hydrogen 3.616 N/A LEU 18.A N VAL 94.A O no hydrogen 2.991 N/A THR 20.A N VAL 17.A O no hydrogen 3.249 N/A GLN 23.A N THR 2.A O no hydrogen 2.778 N/A LEU 24.A N VAL 57.A O no hydrogen 2.882 N/A ASP 25.A N ILE 4.A O no hydrogen 2.729 N/A CYS 27.A N ASP 25.A OD1 no hydrogen 3.118 N/A SER 28.A N ASP 25.A OD1 no hydrogen 2.995 N/A SER 28.A OG ASP 25.A OD1 no hydrogen 3.369 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.575 N/A ALA 30.A N CYS 27.A O no hydrogen 2.757 N/A THR 33.A OG1 GLU 32.A OE1 no hydrogen 3.492 N/A SER 34.A N TYR 78.A O no hydrogen 2.942 N/A PHE 35.A N TRP 49.A O no hydrogen 2.797 N/A SER 36.A N SER 76.A O no hydrogen 2.597 N/A ASN 38.A N GLN 74.A O no hydrogen 2.867 N/A SER 40.A N LYS 72.A O no hydrogen 3.008 N/A VAL 43.A N SER 40.A O no hydrogen 2.918 N/A VAL 44.A N THR 60.A O no hydrogen 2.789 N/A ASP 46.A N THR 58.A O no hydrogen 2.967 N/A TRP 49.A N PHE 35.A O no hydrogen 3.123 N/A LEU 51.A N THR 33.A O no hydrogen 2.996 N/A GLY 54.A N ASP 52.A OD1 no hydrogen 2.944 N/A VAL 55.A N ASP 52.A O no hydrogen 3.111 N/A THR 58.A N ASP 46.A O no hydrogen 2.861 N/A THR 58.A OG1 THR 22.A O no hydrogen 3.453 N/A LEU 59.A N THR 22.A O no hydrogen 2.917 N/A THR 60.A N VAL 44.A O no hydrogen 2.941 N/A SER 65.A N ALA 93.A O no hydrogen 2.782 N/A SER 65.A OG ASP 70.A OD2 no hydrogen 2.497 N/A GLY 66.A N ASP 70.A OD1 no hydrogen 2.844 N/A SER 67.A N ASP 70.A OD1 no hydrogen 3.473 N/A GLY 69.A N THR 92.A OG1 no hydrogen 2.763 N/A ASP 70.A N SER 67.A O no hydrogen 3.040 N/A GLN 71.A N LEU 91.A O no hydrogen 3.357 N/A LYS 72.A N SER 40.A OG no hydrogen 3.072 N/A VAL 73.A N LEU 89.A O no hydrogen 2.761 N/A GLN 74.A N ASN 38.A O no hydrogen 2.698 N/A ILE 75.A N ALA 87.A O no hydrogen 2.867 N/A SER 76.A N SER 36.A O no hydrogen 2.690 N/A TYR 77.A N VAL 85.A O no hydrogen 2.766 N/A TYR 77.A OH ILE 26.A O no hydrogen 3.124 N/A TYR 78.A N SER 34.A O no hydrogen 2.644 N/A THR 82.A N GLY 79.A O no hydrogen 3.258 N/A VAL 85.A N TYR 77.A O no hydrogen 2.828 N/A ALA 87.A N ILE 75.A O no hydrogen 2.802 N/A LEU 89.A N VAL 73.A O no hydrogen 2.716 N/A TYR 90.A N THR 12.A O no hydrogen 2.821 N/A LEU 91.A N GLN 71.A O no hydrogen 2.928 N/A THR 92.A N ALA 14.A O no hydrogen 3.027 N/A ALA 93.A N SER 65.A OG no hydrogen 2.810 N/A VAL 94.A N CYS 16.A O no hydrogen 2.928 N/A GLU 95.A N LYS 160.A O no hydrogen 2.855 N/A SER 97.A N SER 158.A O no hydrogen 2.747 N/A CYS 99.A N THR 156.A O no hydrogen 2.665 N/A CYS 99.A SG SER 97.A O no hydrogen 4.030 N/A ILE 102.A N ALA 100.A O no hydrogen 2.924 N/A THR 103.A OG1 THR 105.A OG1 no hydrogen 3.281 N/A ARG 104.A N ASP 101.A O no hydrogen 3.100 N/A ARG 104.A NE GLY 119.A O no hydrogen 2.970 N/A ARG 104.A NH1 THR 112.A O no hydrogen 3.449 N/A ARG 104.A NH2 THR 112.A O no hydrogen 2.702 N/A ARG 104.A NH2 GLY 119.A O no hydrogen 3.551 N/A THR 105.A N ASP 101.A OD2 no hydrogen 2.862 N/A THR 105.A OG1 THR 103.A OG1 no hydrogen 3.281 N/A GLY 106.A N ASP 101.A OD1 no hydrogen 2.641 N/A LYS 107.A N THR 105.A OG1 no hydrogen 3.247 N/A TRP 111.A NE1 ALA 120.A O no hydrogen 2.960 N/A THR 112.A N GLN 118.A O no hydrogen 2.703 N/A THR 112.A OG1 GLN 118.A O no hydrogen 3.549 N/A GLY 114.A N TRP 622.A O no hydrogen 2.759 N/A GLY 117.A N GLY 114.A O no hydrogen 2.845 N/A GLN 118.A N THR 112.A OG1 no hydrogen 2.770 N/A GLY 119.A N ILE 102.A O no hydrogen 2.716 N/A LEU 122.A N ARG 257.A O no hydrogen 3.020 N/A ASN 125.A N ALA 218.A O no hydrogen 2.963 N/A ASN 125.A ND2 ASP 148.A OD1 no hydrogen 3.512 N/A ASN 125.A ND2 ASP 148.A OD2 no hydrogen 2.831 N/A ASN 125.A ND2 GLU 217.A OE1 no hydrogen 2.634 N/A CYS 126.A N VAL 124.A O no hydrogen 2.982 N/A CYS 126.A SG VAL 124.A O no hydrogen 3.724 N/A ARG 128.A N GLY 349.A O no hydrogen 3.102 N/A ARG 128.A NH1 ILE 344.A O no hydrogen 3.488 N/A ASP 129.A N ASP 137.A OD2 no hydrogen 3.069 N/A ASN 130.A N ASP 137.A OD1 no hydrogen 3.395 N/A ASN 130.A ND2 ASP 145.A OD2 no hydrogen 3.242 N/A ASP 137.A N ASP 127.A O no hydrogen 2.833 N/A CYS 138.A N ASN 125.A O no hydrogen 3.208 N/A CYS 138.A SG ASN 125.A O no hydrogen 3.287 N/A GLU 139.A N MET 136.A O no hydrogen 3.117 N/A GLU 142.A N ASP 140.A OD2 no hydrogen 3.160 N/A SER 146.A OG GLU 147.A OE2 no hydrogen 3.182 N/A GLU 147.A N GLU 147.A OE2 no hydrogen 2.717 N/A LEU 149.A N SER 146.A O no hydrogen 3.339 N/A GLN 150.A N GLU 147.A O no hydrogen 3.072 N/A ASP 151.A N ASP 148.A O no hydrogen 3.018 N/A MET 152.A N LEU 149.A O no hydrogen 3.112 N/A SER 153.A N VAL 216.A O no hydrogen 2.756 N/A SER 153.A OG ILE 121.A O no hydrogen 2.687 N/A MET 155.A N PHE 214.A O no hydrogen 3.010 N/A THR 156.A N CYS 99.A O no hydrogen 2.836 N/A THR 156.A OG1 ASP 213.A OD2 no hydrogen 2.953 N/A LEU 157.A N MET 212.A O no hydrogen 2.906 N/A SER 158.A N SER 97.A O no hydrogen 2.873 N/A SER 158.A OG ASN 211.A OD1 no hydrogen 2.586 N/A THR 159.A N HIS 210.A O no hydrogen 3.038 N/A THR 159.A OG1 HIS 210.A O no hydrogen 3.496 N/A LYS 160.A N GLU 95.A O no hydrogen 2.881 N/A THR 161.A N GLY 208.A O no hydrogen 2.717 N/A THR 161.A OG1 PRO 162.A O no hydrogen 3.006 N/A PHE 165.A N PRO 162.A O no hydrogen 3.014 N/A THR 167.A N ASP 164.A O no hydrogen 3.133 N/A ASN 168.A N PHE 165.A O no hydrogen 3.314 N/A THR 170.A N LEU 237.A O no hydrogen 2.911 N/A VAL 172.A N SER 235.A O no hydrogen 2.879 N/A LEU 173.A N HIS 201.A O no hydrogen 2.865 N/A HIS 174.A N THR 233.A O no hydrogen 2.799 N/A HIS 174.A NE2 SER 235.A OG no hydrogen 2.640 N/A VAL 175.A N PRO 199.A O no hydrogen 2.817 N/A GLU 179.A N ALA 176.A O no hydrogen 3.012 N/A MET 180.A N ALA 176.A O no hydrogen 3.062 N/A LYS 182.A N GLU 179.A O no hydrogen 3.029 N/A LYS 182.A NZ SER 178.A O no hydrogen 3.182 N/A ARG 184.A N GLU 217.A O no hydrogen 3.012 N/A ARG 184.A NH1 CYS 138.A O no hydrogen 2.978 N/A ARG 184.A NH1 GLU 217.A OE2 no hydrogen 2.753 N/A VAL 185.A N LEU 194.A O no hydrogen 2.794 N/A PHE 186.A N TYR 215.A O no hydrogen 2.696 N/A GLN 187.A N SER 191.A O no hydrogen 2.898 N/A ALA 188.A N ASP 213.A O no hydrogen 2.788 N/A CYS 190.A SG GLN 187.A O no hydrogen 4.048 N/A SER 191.A N GLN 187.A O no hydrogen 3.292 N/A VAL 193.A N VAL 185.A O no hydrogen 2.843 N/A LEU 194.A N VAL 185.A O no hydrogen 3.274 N/A GLY 195.A N TRP 198.A O no hydrogen 2.939 N/A TRP 198.A N GLY 195.A O no hydrogen 2.923 N/A HIS 201.A N LEU 173.A O no hydrogen 2.926 N/A TYR 202.A OH GLU 246.A OE2 no hydrogen 2.615 N/A LEU 203.A N LEU 171.A O no hydrogen 2.853 N/A GLY 208.A N THR 161.A O no hydrogen 2.835 N/A GLY 208.A N THR 161.A OG1 no hydrogen 3.308 N/A HIS 210.A N THR 159.A O no hydrogen 2.987 N/A MET 212.A N LEU 157.A O no hydrogen 3.001 N/A PHE 214.A N MET 155.A O no hydrogen 2.819 N/A TYR 215.A N PHE 186.A O no hydrogen 2.797 N/A VAL 216.A N SER 153.A O no hydrogen 2.966 N/A GLU 217.A N ARG 184.A O no hydrogen 3.039 N/A ALA 218.A N LEU 123.A O no hydrogen 3.096 N/A LEU 219.A N LYS 182.A O no hydrogen 2.919 N/A ASP 223.A N PHE 226.A O no hydrogen 2.844 N/A THR 224.A N ASP 223.A OD1 no hydrogen 2.940 N/A THR 224.A OG1 ASP 412.A OD2 no hydrogen 3.527 N/A ASP 225.A N ASP 225.A OD1 no hydrogen 2.504 N/A PHE 226.A N ASP 223.A O no hydrogen 2.914 N/A ILE 230.A N PHE 256.A O no hydrogen 2.825 N/A THR 231.A N GLU 179.A OE2 no hydrogen 2.966 N/A LEU 232.A N VAL 254.A O no hydrogen 2.943 N/A THR 233.A N HIS 174.A O no hydrogen 2.876 N/A THR 233.A OG1 SER 253.A OG no hydrogen 2.729 N/A ILE 234.A N ASP 252.A O no hydrogen 2.708 N/A SER 235.A N VAL 172.A O no hydrogen 2.857 N/A SER 235.A OG HIS 174.A NE2 no hydrogen 2.640 N/A LEU 236.A N PHE 250.A O no hydrogen 2.811 N/A LEU 237.A N THR 170.A O no hydrogen 2.689 N/A ASP 238.A N ALA 247.A O no hydrogen 2.787 N/A THR 239.A N ASN 168.A O no hydrogen 2.843 N/A SER 240.A N ASP 238.A OD2 no hydrogen 2.958 N/A SER 240.A OG ASP 238.A OD2 no hydrogen 2.816 N/A LEU 244.A N GLU 243.A OE1 no hydrogen 2.515 N/A ALA 247.A N ASP 238.A O no hydrogen 3.210 N/A VAL 249.A N LEU 236.A O no hydrogen 2.737 N/A GLN 251.A NE2 SER 235.A OG no hydrogen 2.854 N/A ASP 252.A N ILE 234.A O no hydrogen 2.963 N/A SER 253.A OG THR 233.A OG1 no hydrogen 2.729 N/A VAL 254.A N LEU 232.A O no hydrogen 2.861 N/A PHE 256.A N ILE 230.A O no hydrogen 2.671 N/A ARG 257.A N ALA 120.A O no hydrogen 2.916 N/A ARG 257.A NH1 PRO 227.A O no hydrogen 3.147 N/A VAL 258.A N GLY 228.A O no hydrogen 2.596 N/A ALA 259.A N LEU 122.A O no hydrogen 2.734 N/A TRP 261.A N GLN 417.A OE1 no hydrogen 2.876 N/A TRP 261.A NE1 VAL 329.A O no hydrogen 3.122 N/A ILE 262.A N TYR 319.A O no hydrogen 2.917 N/A MET 263.A N GLN 420.A OE1 no hydrogen 2.910 N/A ASN 266.A ND2 PHE 441.A O no hydrogen 3.245 N/A GLN 268.A N PRO 265.A O no hydrogen 2.999 N/A GLN 271.A N ARG 613.A O no hydrogen 2.788 N/A GLU 272.A N ARG 613.A O no hydrogen 3.268 N/A VAL 273.A N LYS 296.A O no hydrogen 2.853 N/A TYR 274.A N ASN 611.A O no hydrogen 2.752 N/A ALA 275.A N THR 298.A O no hydrogen 3.237 N/A CYS 276.A SG ASP 308.A O no hydrogen 3.174 N/A SER 277.A N CYS 300.A O no hydrogen 2.785 N/A SER 277.A OG CYS 300.A O no hydrogen 3.367 N/A ASN 279.A ND2 CYS 276.A O no hydrogen 2.736 N/A ASN 279.A ND2 TYR 599.A OH no hydrogen 2.992 N/A LEU 283.A N ASN 279.A O no hydrogen 2.698 N/A LYS 284.A N GLU 280.A O no hydrogen 2.872 N/A SER 285.A N ASP 281.A O no hydrogen 3.100 N/A SER 285.A OG ASP 281.A O no hydrogen 3.157 N/A VAL 286.A N PHE 282.A O no hydrogen 3.193 N/A THR 287.A N LEU 283.A O no hydrogen 2.887 N/A THR 287.A OG1 LEU 283.A O no hydrogen 2.397 N/A THR 288.A N LYS 284.A O no hydrogen 2.950 N/A THR 288.A OG1 LYS 284.A O no hydrogen 2.850 N/A LEU 289.A N SER 285.A O no hydrogen 3.025 N/A ALA 290.A N VAL 286.A O no hydrogen 2.777 N/A MET 291.A N THR 287.A O no hydrogen 3.111 N/A LYS 292.A N THR 288.A O no hydrogen 2.800 N/A LYS 292.A NZ GLN 589.A OE1 no hydrogen 3.520 N/A ALA 293.A N LEU 289.A O no hydrogen 2.983 N/A LYS 294.A N MET 291.A O no hydrogen 3.047 N/A CYS 295.A N ALA 290.A O no hydrogen 2.939 N/A CYS 295.A SG ALA 293.A O no hydrogen 3.663 N/A LYS 296.A N GLN 271.A O no hydrogen 3.108 N/A LYS 296.A NZ LEU 297.A O no hydrogen 3.556 N/A THR 298.A N VAL 273.A O no hydrogen 2.858 N/A CYS 300.A N ALA 275.A O no hydrogen 2.743 N/A ASN 305.A N PRO 301.A O no hydrogen 2.728 N/A ASN 305.A ND2 CYS 300.A O no hydrogen 2.896 N/A MET 306.A N GLU 302.A O no hydrogen 3.031 N/A ASP 308.A N ASN 305.A O no hydrogen 3.033 N/A TRP 310.A N ASP 308.A OD1 no hydrogen 3.202 N/A MET 311.A N GLN 309.A O no hydrogen 3.072 N/A GLN 312.A N CYS 608.A O no hydrogen 3.190 N/A GLN 312.A NE2 HIS 607.A O no hydrogen 3.235 N/A GLN 312.A NE2 THR 610.A O no hydrogen 2.890 N/A ASP 313.A N TRP 310.A O no hydrogen 2.904 N/A GLU 316.A N PHE 331.A O no hydrogen 2.882 N/A GLY 318.A N VAL 329.A O no hydrogen 2.835 N/A TYR 319.A N ILE 262.A O no hydrogen 2.893 N/A ILE 320.A N LEU 327.A O no hydrogen 2.955 N/A GLN 321.A NE2 PHE 617.A O no hydrogen 3.233 N/A ALA 322.A N LYS 325.A O no hydrogen 2.671 N/A LYS 325.A N ALA 322.A O no hydrogen 2.932 N/A LEU 327.A N ILE 320.A O no hydrogen 2.866 N/A VAL 329.A N GLY 318.A O no hydrogen 2.865 N/A VAL 330.A N GLY 353.A O no hydrogen 2.785 N/A PHE 331.A N GLU 316.A O no hydrogen 2.702 N/A ASP 332.A N VAL 355.A O no hydrogen 2.799 N/A SER 333.A N GLU 314.A O no hydrogen 2.582 N/A SER 333.A OG ASP 368.A O no hydrogen 2.570 N/A ARG 335.A N SER 333.A OG no hydrogen 3.270 N/A ARG 335.A NH2 ASP 308.A OD1 no hydrogen 2.950 N/A ASN 336.A ND2 GLN 360.A O no hydrogen 3.124 N/A ASN 336.A ND2 GLN 360.A OE1 no hydrogen 2.499 N/A ARG 337.A N GLU 314.A OE2 no hydrogen 2.509 N/A LEU 339.A N ASP 308.A OD2 no hydrogen 2.814 N/A LYS 340.A N ARG 337.A O no hydrogen 2.884 N/A PHE 342.A N LEU 339.A O no hydrogen 3.029 N/A LYS 345.A N GLU 341.A O no hydrogen 2.616 N/A ARG 346.A N PHE 342.A O no hydrogen 3.313 N/A VAL 347.A N PHE 342.A O no hydrogen 3.172 N/A MET 348.A N PRO 343.A O no hydrogen 2.822 N/A GLY 349.A N PHE 352.A O no hydrogen 3.118 N/A ASP 351.A N ASP 127.A OD2 no hydrogen 3.182 N/A PHE 352.A N GLY 349.A O no hydrogen 3.003 N/A GLY 353.A N PRO 328.A O no hydrogen 2.686 N/A TYR 354.A N CYS 126.A O no hydrogen 2.753 N/A TYR 354.A OH ASP 332.A OD2 no hydrogen 2.444 N/A VAL 355.A N VAL 330.A O no hydrogen 3.072 N/A THR 356.A OG1 ASP 332.A O no hydrogen 2.676 N/A ARG 357.A NE ASP 223.A OD2 no hydrogen 2.975 N/A ARG 357.A NH1 THR 356.A O no hydrogen 3.017 N/A ARG 357.A NH2 ASP 223.A OD2 no hydrogen 2.744 N/A GLN 360.A NE2 GLY 358.A O no hydrogen 3.387 N/A SER 365.A N ASP 368.A OD1 no hydrogen 2.964 N/A SER 365.A OG GLN 405.A O no hydrogen 2.824 N/A ASP 368.A N SER 365.A O no hydrogen 3.177 N/A SER 369.A N GLY 366.A O no hydrogen 3.181 N/A SER 369.A OG GLY 366.A O no hydrogen 3.487 N/A PHE 370.A N ASP 313.A O no hydrogen 2.930 N/A GLY 371.A N ASP 313.A OD1 no hydrogen 3.023 N/A ASN 372.A N SER 369.A O no hydrogen 2.748 N/A ASN 372.A ND2 LEU 367.A O no hydrogen 3.060 N/A ASN 372.A ND2 GLY 394.A O no hydrogen 2.796 N/A LEU 373.A N PHE 370.A O no hydrogen 3.127 N/A GLU 374.A N LEU 392.A O no hydrogen 2.895 N/A SER 376.A N ARG 390.A O no hydrogen 2.961 N/A SER 376.A OG PRO 377.A O no hydrogen 2.705 N/A VAL 379.A N TYR 386.A O no hydrogen 2.934 N/A VAL 381.A N LYS 384.A O no hydrogen 2.726 N/A ARG 382.A NH1 ARG 518.A O no hydrogen 2.918 N/A ARG 382.A NH2 ARG 518.A O no hydrogen 3.155 N/A LYS 384.A N VAL 381.A O no hydrogen 2.780 N/A LYS 384.A NZ VAL 625.A O no hydrogen 3.128 N/A LYS 384.A NZ PRO 626.A O no hydrogen 3.189 N/A TYR 386.A N VAL 379.A O no hydrogen 2.653 N/A GLY 389.A N TYR 386.A O no hydrogen 3.031 N/A ARG 390.A N SER 376.A OG no hydrogen 3.170 N/A ARG 390.A NE GLU 519.A O no hydrogen 3.443 N/A ARG 390.A NH1 ALA 421.A O no hydrogen 2.985 N/A ARG 390.A NH2 GLU 519.A O no hydrogen 2.889 N/A ARG 390.A NH2 GLU 519.A OE2 no hydrogen 2.969 N/A ILE 391.A N GLN 420.A O no hydrogen 2.792 N/A LEU 392.A N GLU 374.A O no hydrogen 2.734 N/A PHE 393.A N VAL 423.A O no hydrogen 3.155 N/A GLY 394.A N ASN 372.A OD1 no hydrogen 2.864 N/A ASP 395.A N LEU 425.A O no hydrogen 2.709 N/A SER 396.A OG TYR 398.A O no hydrogen 3.269 N/A SER 396.A OG ARG 404.A O no hydrogen 3.520 N/A SER 400.A N SER 403.A OG no hydrogen 2.821 N/A SER 403.A N SER 400.A O no hydrogen 3.364 N/A SER 403.A OG SER 400.A O no hydrogen 3.159 N/A ARG 404.A N ASP 428.A OD1 no hydrogen 3.111 N/A ARG 404.A NE ASP 428.A OD2 no hydrogen 2.849 N/A ARG 404.A NH1 SER 431.A O no hydrogen 3.014 N/A ARG 404.A NH1 VAL 432.A O no hydrogen 3.288 N/A ARG 404.A NH2 ASP 428.A OD2 no hydrogen 3.157 N/A ARG 404.A NH2 LEU 430.A O no hydrogen 2.823 N/A ARG 404.A NH2 SER 431.A O no hydrogen 3.155 N/A GLN 405.A NE2 MET 406.A O no hydrogen 2.908 N/A HIS 407.A N ASP 368.A OD2 no hydrogen 2.543 N/A ALA 409.A N HIS 407.A ND1 no hydrogen 3.086 N/A LEU 410.A N HIS 407.A O no hydrogen 3.075 N/A GLN 411.A N HIS 407.A O no hydrogen 3.223 N/A ASP 412.A N GLN 408.A O no hydrogen 2.852 N/A PHE 413.A N ALA 409.A O no hydrogen 3.150 N/A LEU 414.A N LEU 410.A O no hydrogen 2.943 N/A SER 415.A N GLN 411.A O no hydrogen 2.916 N/A ALA 416.A N ASP 412.A O no hydrogen 2.981 N/A GLN 417.A N PHE 413.A O no hydrogen 3.200 N/A GLN 417.A N LEU 414.A O no hydrogen 3.241 N/A GLN 417.A NE2 PRO 222.A O no hydrogen 2.800 N/A GLN 417.A NE2 PHE 413.A O no hydrogen 2.921 N/A GLN 420.A NE2 MET 263.A O no hydrogen 2.698 N/A GLN 420.A NE2 LEU 388.A O no hydrogen 2.914 N/A ALA 421.A N GLN 418.A O no hydrogen 3.094 N/A VAL 423.A N ILE 391.A O no hydrogen 2.779 N/A LYS 424.A NZ ASP 395.A OD1 no hydrogen 3.389 N/A LEU 425.A N PHE 393.A O no hydrogen 2.896 N/A TYR 426.A N ASN 512.A OD1 no hydrogen 2.817 N/A SER 427.A N ASP 395.A O no hydrogen 2.899 N/A SER 427.A OG ASN 372.A OD1 no hydrogen 3.516 N/A SER 427.A OG GLY 433.A O no hydrogen 2.748 N/A TRP 429.A NE1 TYR 426.A O no hydrogen 2.993 N/A LEU 430.A N SER 427.A O no hydrogen 3.128 N/A SER 431.A N ALA 542.A O no hydrogen 2.844 N/A GLY 433.A N GLU 437.A OE2 no hydrogen 2.928 N/A HIS 434.A N GLU 437.A OE2 no hydrogen 2.826 N/A HIS 434.A NE2 GLY 366.A O no hydrogen 3.026 N/A VAL 435.A N ASN 372.A OD1 no hydrogen 3.176 N/A GLU 437.A N HIS 434.A O no hydrogen 2.967 N/A PHE 438.A N VAL 435.A O no hydrogen 3.171 N/A LEU 439.A N VAL 435.A O no hydrogen 3.027 N/A SER 440.A N LEU 453.A O no hydrogen 3.076 N/A VAL 442.A N ARG 451.A O no hydrogen 2.889 N/A LYS 448.A NZ ASP 526.A OD2 no hydrogen 2.783 N/A GLY 449.A N ASP 446.A O no hydrogen 2.628 N/A ARG 451.A N VAL 442.A O no hydrogen 2.814 N/A ARG 451.A NH1 ASP 446.A OD1 no hydrogen 2.989 N/A ARG 451.A NH1 PHE 450.A O no hydrogen 3.262 N/A ARG 451.A NH2 ASP 446.A OD1 no hydrogen 3.023 N/A ARG 451.A NH2 ASP 446.A OD2 no hydrogen 3.414 N/A LEU 452.A N ASP 526.A O no hydrogen 3.129 N/A LEU 453.A N SER 440.A O no hydrogen 2.883 N/A LEU 454.A N ILE 528.A O no hydrogen 2.943 N/A ALA 455.A N PHE 438.A O no hydrogen 3.085 N/A SER 456.A N ILE 530.A O no hydrogen 2.812 N/A ARG 458.A NH2 ASP 529.A OD2 no hydrogen 3.180 N/A SER 459.A N SER 456.A OG no hydrogen 2.867 N/A CYS 460.A N PRO 457.A O no hydrogen 2.946 N/A TYR 461.A N PRO 457.A O no hydrogen 2.918 N/A LYS 462.A N ARG 458.A O no hydrogen 2.978 N/A LEU 463.A N SER 459.A O no hydrogen 2.930 N/A PHE 464.A N CYS 460.A O no hydrogen 2.937 N/A GLN 465.A N TYR 461.A O no hydrogen 2.791 N/A GLN 465.A NE2 GLN 465.A O no hydrogen 3.153 N/A GLN 465.A NE2 GLN 468.A OE1 no hydrogen 3.453 N/A GLN 465.A NE2 ASN 469.A OD1 no hydrogen 3.200 N/A GLU 466.A N LYS 462.A O no hydrogen 2.954 N/A GLN 467.A N LEU 463.A O no hydrogen 3.121 N/A GLN 467.A NE2 LEU 463.A O no hydrogen 2.842 N/A GLN 468.A N PHE 464.A O no hydrogen 2.990 N/A ASN 469.A N GLN 465.A O no hydrogen 2.889 N/A GLU 470.A N GLU 466.A O no hydrogen 3.010 N/A GLU 470.A N GLN 467.A O no hydrogen 3.088 N/A GLY 471.A N GLN 468.A O no hydrogen 2.848 N/A HIS 472.A N GLN 467.A O no hydrogen 3.015 N/A ALA 475.A N HIS 472.A O no hydrogen 2.757 N/A LEU 477.A N GLN 487.A O no hydrogen 2.647 N/A PHE 478.A N PHE 565.A O no hydrogen 2.940 N/A ILE 481.A N PHE 478.A O no hydrogen 3.435 N/A GLN 487.A N LEU 477.A O no hydrogen 3.326 N/A ILE 489.A N ALA 475.A O no hydrogen 2.844 N/A LYS 490.A N GLY 473.A O no hydrogen 2.904 N/A ASN 491.A N LYS 488.A O no hydrogen 2.875 N/A ILE 492.A N LYS 488.A O no hydrogen 2.897 N/A LEU 493.A N ILE 489.A O no hydrogen 2.870 N/A SER 494.A N LYS 490.A O no hydrogen 3.050 N/A SER 494.A OG LYS 490.A O no hydrogen 3.127 N/A SER 494.A OG ASN 491.A O no hydrogen 3.269 N/A ASN 495.A N ILE 492.A O no hydrogen 3.218 N/A THR 497.A N ASN 495.A OD1 no hydrogen 2.909 N/A THR 497.A OG1 ASN 495.A OD1 no hydrogen 3.007 N/A LEU 498.A N ASN 495.A OD1 no hydrogen 2.940 N/A ARG 499.A N ASN 495.A O no hydrogen 3.232 N/A ARG 499.A NH2 LEU 493.A O no hydrogen 3.120 N/A GLU 500.A N LYS 496.A O no hydrogen 3.168 N/A HIS 501.A N THR 497.A O no hydrogen 2.944 N/A ASN 502.A N LEU 498.A O no hydrogen 2.925 N/A ASN 502.A ND2 LEU 498.A O no hydrogen 2.909 N/A ASN 502.A ND2 PHE 534.A O no hydrogen 2.875 N/A SER 503.A N ARG 499.A O no hydrogen 2.846 N/A SER 503.A OG ARG 499.A O no hydrogen 3.071 N/A PHE 504.A N GLU 500.A O no hydrogen 3.050 N/A VAL 505.A N HIS 501.A O no hydrogen 2.949 N/A GLU 506.A N ASN 502.A O no hydrogen 3.004 N/A ARG 507.A N SER 503.A O no hydrogen 3.192 N/A CYS 508.A N PHE 504.A O no hydrogen 3.183 N/A CYS 508.A SG PHE 504.A O no hydrogen 3.271 N/A ILE 509.A N VAL 505.A O no hydrogen 2.831 N/A ASP 510.A N GLU 506.A O no hydrogen 2.653 N/A TRP 511.A N ARG 507.A O no hydrogen 2.970 N/A ASN 512.A N CYS 508.A O no hydrogen 3.504 N/A ASN 512.A ND2 TYR 426.A O no hydrogen 3.070 N/A ASN 512.A ND2 CYS 508.A O no hydrogen 2.631 N/A ARG 513.A N ILE 509.A O no hydrogen 2.843 N/A ARG 513.A NE GLU 524.A OE1 no hydrogen 3.430 N/A ARG 513.A NE GLU 524.A OE2 no hydrogen 2.825 N/A ARG 513.A NH1 ASP 529.A OD1 no hydrogen 2.909 N/A ARG 513.A NH1 ASP 529.A OD2 no hydrogen 3.486 N/A ARG 513.A NH2 GLU 524.A OE1 no hydrogen 2.671 N/A ARG 513.A NH2 ASP 529.A OD2 no hydrogen 3.307 N/A GLU 514.A N ASP 510.A O no hydrogen 3.140 N/A LEU 515.A N TRP 511.A O no hydrogen 3.075 N/A LEU 516.A N ASN 512.A O no hydrogen 2.739 N/A LYS 517.A N ARG 513.A O no hydrogen 2.830 N/A LYS 517.A NZ GLU 514.A OE2 no hydrogen 2.895 N/A LYS 517.A NZ GLU 524.A OE2 no hydrogen 2.610 N/A ARG 518.A N GLU 514.A O no hydrogen 2.994 N/A ARG 518.A NH2 GLU 519.A OE1 no hydrogen 2.692 N/A GLU 519.A N LEU 515.A O no hydrogen 2.859 N/A LEU 520.A N LEU 516.A O no hydrogen 2.922 N/A LEU 522.A N LYS 517.A O no hydrogen 3.177 N/A ALA 523.A N ASP 526.A OD2 no hydrogen 2.975 N/A ASP 526.A N ALA 523.A O no hydrogen 2.744 N/A ILE 527.A N GLU 524.A O no hydrogen 2.746 N/A ILE 528.A N LEU 452.A O no hydrogen 2.770 N/A ILE 530.A N LEU 454.A O no hydrogen 2.978 N/A GLN 532.A N SER 456.A O no hydrogen 2.937 N/A GLN 532.A NE2 LEU 533.A O no hydrogen 3.049 N/A GLN 532.A NE2 PHE 546.A O no hydrogen 3.055 N/A PHE 534.A N ASN 502.A OD1 no hydrogen 2.835 N/A LYS 535.A N GLU 543.A O no hydrogen 2.788 N/A LYS 537.A N LYS 541.A O no hydrogen 2.950 N/A LYS 541.A N GLU 538.A O no hydrogen 3.456 N/A LYS 541.A NZ ASP 428.A O no hydrogen 2.842 N/A ALA 542.A N TRP 429.A O no hydrogen 2.937 N/A GLU 543.A N LYS 535.A O no hydrogen 2.935 N/A PHE 545.A N LEU 533.A O no hydrogen 2.972 N/A ASN 548.A N GLU 605.A OE1 no hydrogen 2.986 N/A ASN 548.A ND2 GLU 437.A O no hydrogen 2.636 N/A MET 549.A N GLN 532.A OE1 no hydrogen 2.930 N/A ASN 551.A N ASN 548.A O no hydrogen 3.099 N/A ASN 551.A ND2 ASP 436.A O no hydrogen 3.334 N/A MET 552.A N VAL 550.A O no hydrogen 2.897 N/A LEU 553.A N GLY 560.A O no hydrogen 2.899 N/A LEU 555.A N HIS 558.A O no hydrogen 2.854 N/A HIS 558.A N LEU 555.A O no hydrogen 3.015 N/A HIS 558.A ND1 GLN 589.A OE1 no hydrogen 2.792 N/A LEU 559.A N GLN 589.A O no hydrogen 2.708 N/A GLY 560.A N LEU 553.A O no hydrogen 2.814 N/A ILE 561.A N THR 591.A O no hydrogen 2.850 N/A LYS 563.A N ILE 593.A O no hydrogen 2.865 N/A LYS 563.A NZ GLU 576.A OE2 no hydrogen 2.612 N/A ILE 569.A N ARG 572.A O no hydrogen 2.841 N/A ARG 572.A N ILE 569.A O no hydrogen 3.039 N/A CYS 574.A N PRO 567.A O no hydrogen 2.995 N/A CYS 574.A SG PRO 567.A O no hydrogen 3.324 N/A GLU 577.A N CYS 573.A O no hydrogen 2.962 N/A LYS 578.A N CYS 574.A O no hydrogen 2.808 N/A LYS 578.A NZ SER 459.A OG no hydrogen 3.182 N/A VAL 579.A N LEU 575.A O no hydrogen 2.940 N/A CYS 580.A N GLU 576.A O no hydrogen 2.993 N/A CYS 580.A SG GLU 576.A O no hydrogen 3.282 N/A SER 581.A N GLU 577.A O no hydrogen 2.898 N/A SER 581.A OG LYS 578.A O no hydrogen 2.983 N/A LEU 582.A N LYS 578.A O no hydrogen 3.091 N/A LEU 582.A N VAL 579.A O no hydrogen 3.059 N/A LEU 583.A N VAL 579.A O no hydrogen 2.959 N/A GLU 584.A N CYS 580.A O no hydrogen 2.908 N/A LEU 586.A N LEU 583.A O no hydrogen 3.164 N/A GLY 587.A N GLU 584.A O no hydrogen 2.629 N/A LEU 588.A N LEU 583.A O no hydrogen 3.318 N/A GLN 589.A N LYS 557.A O no hydrogen 2.684 N/A THR 591.A N LEU 559.A O no hydrogen 3.036 N/A ILE 593.A N ILE 561.A O no hydrogen 2.733 N/A PHE 596.A N ASN 594.A OD1 no hydrogen 2.898 N/A THR 598.A OG1 PHE 597.A O no hydrogen 3.085 N/A TYR 599.A N ASP 595.A O no hydrogen 2.835 N/A HIS 600.A N ASP 595.A O no hydrogen 2.787 N/A HIS 600.A ND1 GLU 605.A OE1 no hydrogen 3.002 N/A ILE 601.A N PHE 596.A O no hydrogen 3.154 N/A ARG 602.A N TYR 599.A O no hydrogen 2.865 N/A HIS 603.A N HIS 600.A O no hydrogen 2.920 N/A GLY 604.A N TYR 599.A O no hydrogen 3.305 N/A HIS 607.A N ASN 551.A O no hydrogen 3.197 N/A HIS 607.A ND1 ASP 436.A OD1 no hydrogen 2.704 N/A CYS 608.A N ASN 551.A OD1 no hydrogen 3.196 N/A CYS 608.A SG ASN 551.A OD1 no hydrogen 3.254 N/A GLY 609.A N GLU 605.A O no hydrogen 3.064 N/A THR 610.A N HIS 607.A O no hydrogen 3.085 N/A THR 610.A OG1 VAL 606.A O no hydrogen 2.946 N/A THR 610.A OG1 HIS 607.A O no hydrogen 3.499 N/A ASN 611.A N TYR 274.A O no hydrogen 2.957 N/A ASN 611.A ND2 MET 311.A O no hydrogen 3.065 N/A ASN 611.A ND2 MET 315.A O no hydrogen 2.793 N/A VAL 612.A N ASN 611.A OD1 no hydrogen 2.951 N/A ARG 613.A N GLU 272.A O no hydrogen 2.917 N/A ARG 613.A NE GLU 272.A OE1 no hydrogen 3.075 N/A ARG 613.A NH2 GLU 272.A OE1 no hydrogen 3.162 N/A ARG 614.A NH2 VAL 554.A O no hydrogen 2.757 N/A LYS 615.A N PRO 269.A O no hydrogen 2.858 N/A PHE 617.A N TYR 319.A OH no hydrogen 3.352 N/A LYS 620.A NZ SER 618.A O no hydrogen 2.918 N/A TRP 621.A N GLN 321.A OE1 no hydrogen 3.316 N/A TRP 621.A NE1 GLN 321.A O no hydrogen 2.815 N/A ASN 623.A N LYS 620.A O no hydrogen 2.841 N/A MET 624.A N TRP 621.A O no hydrogen 3.146 N/A