Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5h3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LYS 657.A O no hydrogen 3.232 N/A ARG 4.A NH1 GLU 45.A OE1 no hydrogen 2.866 N/A ARG 4.A NH1 GLU 45.A OE2 no hydrogen 3.557 N/A THR 5.A N TYR 373.A OH no hydrogen 2.786 N/A LEU 6.A N VAL 655.A O no hydrogen 2.906 N/A SER 9.A N LEU 335.A O no hydrogen 2.772 N/A SER 9.A OG SER 334.A OG no hydrogen 2.800 N/A SER 9.A OG LEU 335.A O no hydrogen 2.804 N/A ASN 11.A N ALA 29.A O no hydrogen 2.777 N/A CYS 14.A SG TRP 12.A O no hydrogen 3.421 N/A ARG 16.A NH1 LEU 113.A O no hydrogen 3.005 N/A ARG 16.A NH1 LEU 155.A O no hydrogen 3.091 N/A ARG 16.A NH2 LEU 155.A O no hydrogen 2.830 N/A ARG 16.A NH2 THR 156.A OG1 no hydrogen 3.138 N/A CYS 17.A SG ASN 11.A O no hydrogen 3.519 N/A ASP 19.A N GLY 27.A O no hydrogen 2.903 N/A VAL 21.A N LEU 25.A O no hydrogen 2.838 N/A GLY 23.A N GLN 301.A O no hydrogen 3.273 N/A LEU 25.A N VAL 21.A O no hydrogen 3.297 N/A PHE 26.A N VAL 37.A O no hydrogen 2.790 N/A GLY 27.A N ASP 19.A O no hydrogen 2.659 N/A PHE 28.A N PHE 35.A O no hydrogen 2.906 N/A ALA 29.A N CYS 17.A O no hydrogen 2.758 N/A ALA 30.A N SER 33.A O no hydrogen 2.811 N/A SER 33.A N ALA 30.A O no hydrogen 2.957 N/A SER 33.A OG GLU 57.A OE1 no hydrogen 3.064 N/A VAL 34.A N LEU 58.A O no hydrogen 3.382 N/A PHE 35.A N PHE 28.A O no hydrogen 2.908 N/A LEU 36.A N GLY 56.A O no hydrogen 2.791 N/A VAL 37.A N PHE 26.A O no hydrogen 2.747 N/A ARG 38.A N ARG 53.A O no hydrogen 2.742 N/A VAL 39.A N GLY 24.A O no hydrogen 2.820 N/A GLY 40.A N PRO 51.A O no hydrogen 2.690 N/A ALA 43.A N GLY 40.A O no hydrogen 2.840 N/A GLY 44.A N PRO 41.A O no hydrogen 3.270 N/A THR 49.A OG1 ILE 369.A O no hydrogen 3.039 N/A PHE 52.A N PRO 50.A O no hydrogen 2.824 N/A ARG 53.A N ARG 38.A O no hydrogen 2.789 N/A ARG 53.A NE ALA 43.A O no hydrogen 3.232 N/A ARG 53.A NH2 ALA 43.A O no hydrogen 2.843 N/A ILE 55.A N LEU 36.A O no hydrogen 3.066 N/A GLY 56.A N LEU 36.A O no hydrogen 3.419 N/A LEU 58.A N VAL 34.A O no hydrogen 2.728 N/A THR 62.A N ASP 86.A OD2 no hydrogen 3.244 N/A ARG 64.A NE ASP 85.A OD2 no hydrogen 2.888 N/A ARG 64.A NH2 ASP 85.A OD1 no hydrogen 2.986 N/A VAL 65.A N ARG 31.A O no hydrogen 3.056 N/A SER 66.A N SER 83.A O no hydrogen 2.908 N/A PHE 68.A N ARG 16.A O no hydrogen 2.854 N/A THR 69.A N ALA 81.A O no hydrogen 2.878 N/A PHE 70.A N ASP 19.A OD2 no hydrogen 3.169 N/A SER 71.A N LEU 79.A O no hydrogen 2.773 N/A SER 71.A OG GLN 76.A O no hydrogen 3.104 N/A HIS 72.A NE2 ASP 19.A OD2 no hydrogen 2.619 N/A HIS 73.A NE2 SER 116.A O no hydrogen 2.541 N/A GLN 76.A N HIS 73.A O no hydrogen 2.784 N/A GLN 76.A NE2 SER 71.A OG no hydrogen 3.165 N/A GLN 76.A NE2 LYS 120.A O no hydrogen 3.037 N/A ASN 78.A ND2 ASP 93.A OD1 no hydrogen 2.984 N/A LEU 79.A N GLN 76.A O no hydrogen 3.228 N/A CYS 80.A N TRP 92.A O no hydrogen 3.262 N/A ALA 81.A N THR 69.A O no hydrogen 2.646 N/A THR 82.A N LYS 90.A O no hydrogen 2.909 N/A SER 83.A N GLY 67.A O no hydrogen 2.959 N/A SER 84.A OG GLU 63.A O no hydrogen 3.204 N/A SER 84.A OG ARG 64.A O no hydrogen 3.453 N/A ASP 85.A N ARG 64.A O no hydrogen 2.988 N/A ASP 86.A N SER 84.A OG no hydrogen 2.901 N/A GLY 87.A N SER 84.A O no hydrogen 2.924 N/A THR 88.A N ASP 86.A OD1 no hydrogen 2.966 N/A THR 88.A OG1 GLU 102.A OE1 no hydrogen 3.169 N/A THR 88.A OG1 HIS 103.A O no hydrogen 3.113 N/A VAL 89.A N HIS 103.A O no hydrogen 2.840 N/A LYS 90.A N THR 82.A O no hydrogen 3.090 N/A LYS 90.A NZ GLU 102.A OE2 no hydrogen 2.578 N/A ILE 91.A N THR 101.A O no hydrogen 2.694 N/A TRP 92.A N CYS 80.A O no hydrogen 2.810 N/A TRP 92.A NE1 THR 82.A OG1 no hydrogen 2.875 N/A ASP 93.A N THR 98.A O no hydrogen 3.029 N/A VAL 94.A N ASN 78.A O no hydrogen 3.037 N/A GLU 95.A N ASP 93.A OD1 no hydrogen 3.292 N/A THR 96.A OG1 THR 98.A OG1 no hydrogen 2.743 N/A LYS 97.A N ASP 93.A O no hydrogen 2.618 N/A THR 98.A N THR 96.A OG1 no hydrogen 3.273 N/A THR 98.A OG1 THR 96.A OG1 no hydrogen 2.743 N/A VAL 100.A N ILE 91.A O no hydrogen 2.702 N/A THR 101.A N ILE 91.A O no hydrogen 3.464 N/A HIS 103.A N VAL 89.A O no hydrogen 2.761 N/A LEU 105.A N HIS 103.A ND1 no hydrogen 3.002 N/A HIS 106.A ND1 ASP 127.A OD2 no hydrogen 2.832 N/A HIS 106.A NE2 SER 125.A OG no hydrogen 2.320 N/A SER 111.A N GLY 126.A O no hydrogen 2.733 N/A SER 111.A OG ILE 152.A O no hydrogen 2.717 N/A THR 112.A N GLY 126.A O no hydrogen 3.452 N/A HIS 114.A N VAL 124.A O no hydrogen 2.762 N/A TRP 115.A N THR 69.A OG1 no hydrogen 2.868 N/A TRP 115.A NE1 LYS 120.A O no hydrogen 2.767 N/A SER 116.A N LEU 122.A O no hydrogen 2.855 N/A ARG 118.A N SER 116.A OG no hydrogen 3.178 N/A VAL 119.A N SER 116.A OG no hydrogen 2.981 N/A LEU 122.A N VAL 119.A O no hydrogen 3.355 N/A ILE 123.A N TYR 135.A O no hydrogen 2.931 N/A VAL 124.A N HIS 114.A O no hydrogen 2.923 N/A SER 125.A N PHE 133.A O no hydrogen 2.992 N/A SER 125.A OG HIS 106.A NE2 no hydrogen 2.320 N/A GLY 126.A N THR 112.A O no hydrogen 3.082 N/A ASP 127.A N VAL 131.A O no hydrogen 2.902 N/A GLU 128.A N THR 109.A O no hydrogen 2.932 N/A GLY 130.A N ASP 127.A O no hydrogen 2.992 N/A VAL 131.A N ASP 127.A OD1 no hydrogen 2.694 N/A VAL 132.A N LEU 145.A O no hydrogen 2.683 N/A PHE 133.A N SER 125.A O no hydrogen 2.824 N/A CYS 134.A N GLN 143.A O no hydrogen 2.962 N/A TYR 135.A N ILE 123.A O no hydrogen 2.901 N/A TYR 135.A OH ASN 140.A OD1 no hydrogen 2.225 N/A TRP 136.A N ASP 141.A O no hydrogen 3.129 N/A PHE 137.A N ASP 121.A O no hydrogen 2.868 N/A ASN 138.A N ASP 121.A OD2 no hydrogen 2.812 N/A ARG 139.A NE ASP 141.A OD1 no hydrogen 3.245 N/A ASP 141.A N TRP 136.A O no hydrogen 3.130 N/A GLN 143.A N CYS 134.A O no hydrogen 2.814 N/A LEU 145.A N VAL 132.A O no hydrogen 2.725 N/A ARG 150.A NE GLU 148.A OE1 no hydrogen 3.132 N/A ARG 150.A NH1 ASP 171.A OD2 no hydrogen 2.795 N/A ARG 150.A NH2 GLU 148.A OE1 no hydrogen 3.396 N/A THR 151.A OG1 GLU 128.A O no hydrogen 3.565 N/A PHE 153.A N GLY 168.A O no hydrogen 2.871 N/A CYS 154.A N GLY 168.A O no hydrogen 3.211 N/A CYS 154.A SG ILE 196.A O no hydrogen 3.359 N/A THR 156.A N ALA 166.A O no hydrogen 2.811 N/A THR 156.A OG1 ILE 199.A O no hydrogen 2.997 N/A SER 158.A N LEU 164.A O no hydrogen 2.833 N/A SER 158.A OG HIS 161.A O no hydrogen 3.510 N/A HIS 160.A N SER 158.A OG no hydrogen 3.115 N/A HIS 160.A NE2 CYS 202.A O no hydrogen 3.075 N/A HIS 161.A N SER 158.A OG no hydrogen 2.850 N/A ASP 163.A N HIS 161.A ND1 no hydrogen 2.991 N/A LEU 164.A N HIS 161.A O no hydrogen 3.210 N/A VAL 165.A N ILE 177.A O no hydrogen 3.112 N/A ALA 166.A N THR 156.A O no hydrogen 2.949 N/A ILE 167.A N VAL 175.A O no hydrogen 2.912 N/A GLY 168.A N CYS 154.A O no hydrogen 2.935 N/A TYR 169.A N ILE 173.A O no hydrogen 2.955 N/A LYS 170.A N THR 151.A O no hydrogen 2.752 N/A GLY 172.A N TYR 169.A O no hydrogen 3.249 N/A ILE 173.A N ASP 171.A OD1 no hydrogen 2.906 N/A VAL 174.A N LEU 189.A O no hydrogen 3.332 N/A VAL 175.A N ILE 167.A O no hydrogen 3.017 N/A ILE 176.A N HIS 187.A O no hydrogen 2.937 N/A ILE 177.A N VAL 165.A O no hydrogen 2.908 N/A ASP 178.A N GLU 184.A O no hydrogen 2.979 N/A ILE 179.A N ASP 163.A O no hydrogen 2.706 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 3.142 N/A LYS 181.A N ASP 178.A O no hydrogen 3.178 N/A LYS 181.A N ASP 178.A OD1 no hydrogen 3.339 N/A GLU 184.A N LYS 181.A O no hydrogen 2.991 N/A ILE 186.A N ILE 176.A O no hydrogen 2.756 N/A HIS 187.A N ILE 176.A O no hydrogen 3.424 N/A ARG 188.A NH2 GLU 148.A OE2 no hydrogen 3.032 N/A LEU 189.A N VAL 174.A O no hydrogen 2.685 N/A HIS 192.A ND1 ASP 215.A OD2 no hydrogen 2.978 N/A HIS 192.A NE2 THR 211.A OG1 no hydrogen 3.143 N/A ASP 193.A N ASP 215.A OD2 no hydrogen 2.901 N/A GLU 195.A N ASP 194.A OD1 no hydrogen 3.082 N/A ILE 196.A N TYR 169.A O no hydrogen 3.001 N/A HIS 197.A N GLY 212.A O no hydrogen 2.722 N/A HIS 197.A NE2 GLU 195.A OE1 no hydrogen 2.741 N/A SER 198.A OG LEU 246.A O no hydrogen 3.028 N/A ALA 200.A N ALA 210.A O no hydrogen 2.742 N/A TRP 201.A NE1 THR 156.A O no hydrogen 2.932 N/A CYS 202.A N TYR 208.A O no hydrogen 3.313 N/A CYS 202.A SG LEU 204.A O no hydrogen 3.430 N/A LEU 209.A N TRP 221.A O no hydrogen 2.836 N/A ALA 210.A N ALA 200.A O no hydrogen 2.853 N/A THR 211.A N ARG 219.A O no hydrogen 2.756 N/A THR 211.A OG1 HIS 192.A NE2 no hydrogen 3.143 N/A THR 211.A OG1 ARG 219.A O no hydrogen 3.303 N/A GLY 212.A N SER 198.A O no hydrogen 2.984 N/A SER 213.A N THR 217.A O no hydrogen 3.320 N/A SER 213.A OG ASP 194.A O no hydrogen 3.020 N/A SER 213.A OG GLU 195.A O no hydrogen 3.039 N/A LYS 214.A N GLU 195.A O no hydrogen 2.929 N/A ASP 215.A N SER 213.A OG no hydrogen 3.084 N/A GLN 216.A N SER 213.A O no hydrogen 3.103 N/A THR 217.A N ASP 215.A OD1 no hydrogen 2.929 N/A THR 217.A OG1 ASP 215.A OD1 no hydrogen 2.879 N/A ILE 218.A N LEU 232.A O no hydrogen 2.762 N/A ARG 219.A N THR 211.A O no hydrogen 2.848 N/A ILE 220.A N MET 230.A O no hydrogen 2.844 N/A TRP 221.A N LEU 209.A O no hydrogen 2.550 N/A TRP 221.A NE1 THR 211.A OG1 no hydrogen 2.687 N/A SER 222.A N ARG 227.A O no hydrogen 2.799 N/A SER 222.A OG SER 224.A OG no hydrogen 3.221 N/A CYS 223.A N CYS 207.A O no hydrogen 2.615 N/A SER 224.A OG SER 222.A OG no hydrogen 3.221 N/A ARG 225.A N SER 222.A OG no hydrogen 3.022 N/A GLY 226.A N SER 222.A O no hydrogen 2.479 N/A VAL 229.A N ILE 220.A O no hydrogen 2.527 N/A LEU 232.A N ILE 218.A O no hydrogen 2.748 N/A LEU 234.A N GLN 216.A O no hydrogen 3.039 N/A LEU 246.A N HIS 197.A ND1 no hydrogen 3.016 N/A THR 247.A OG1 PHE 295.A O no hydrogen 2.417 N/A HIS 249.A N VAL 259.A O no hydrogen 2.693 N/A TRP 250.A NE1 PRO 255.A O no hydrogen 2.686 N/A GLN 257.A N GLN 254.A O no hydrogen 2.827 N/A GLN 257.A NE2 ASP 271.A OD1 no hydrogen 3.143 N/A LEU 258.A N TRP 270.A O no hydrogen 2.958 N/A VAL 259.A N HIS 249.A O no hydrogen 2.967 N/A SER 261.A N THR 247.A O no hydrogen 2.937 N/A SER 261.A OG TRP 245.A O no hydrogen 2.848 N/A SER 261.A OG CYS 262.A O no hydrogen 3.466 N/A SER 261.A OG VAL 294.A O no hydrogen 3.459 N/A CYS 262.A N GLU 266.A O no hydrogen 2.829 N/A CYS 262.A SG PRO 235.A O no hydrogen 3.606 N/A GLY 265.A N CYS 262.A O no hydrogen 3.006 N/A GLU 266.A N PHE 263.A O no hydrogen 3.180 N/A GLN 269.A N THR 281.A O no hydrogen 2.866 N/A TRP 270.A N LEU 258.A O no hydrogen 2.482 N/A TRP 270.A NE1 SER 260.A OG no hydrogen 2.916 N/A ASP 271.A N LYS 279.A O no hydrogen 3.151 N/A LEU 272.A N THR 256.A O no hydrogen 3.022 N/A THR 273.A N ASP 271.A OD1 no hydrogen 3.032 N/A THR 273.A OG1 ASP 271.A OD1 no hydrogen 2.318 N/A ARG 278.A N GLN 274.A O no hydrogen 2.677 N/A THR 281.A N GLN 269.A O no hydrogen 2.848 N/A PHE 283.A N LEU 267.A O no hydrogen 2.896 N/A SER 284.A N LEU 326.A O no hydrogen 2.709 N/A ASN 289.A ND2 HIS 290.A O no hydrogen 3.562 N/A HIS 290.A ND1 ASP 315.A OD1 no hydrogen 3.117 N/A HIS 290.A ND1 ASP 315.A OD2 no hydrogen 2.743 N/A HIS 290.A NE2 SER 311.A OG no hydrogen 2.646 N/A SER 291.A N ASP 315.A OD2 no hydrogen 2.907 N/A ARG 292.A NH2 SER 291.A O no hydrogen 2.737 N/A PHE 295.A N THR 312.A O no hydrogen 2.795 N/A ASN 296.A ND2 CYS 14.A O no hydrogen 3.023 N/A CYS 298.A N LEU 310.A O no hydrogen 2.721 N/A CYS 298.A SG SER 18.A O no hydrogen 2.996 N/A LEU 300.A N LEU 308.A O no hydrogen 2.891 N/A THR 302.A N LYS 306.A O no hydrogen 2.995 N/A THR 302.A OG1 LYS 306.A O no hydrogen 3.480 N/A ASP 305.A N THR 302.A O no hydrogen 2.813 N/A LYS 306.A N THR 302.A OG1 no hydrogen 3.276 N/A LEU 308.A N LEU 300.A O no hydrogen 2.740 N/A LEU 309.A N TRP 321.A O no hydrogen 2.764 N/A LEU 310.A N CYS 298.A O no hydrogen 2.775 N/A SER 311.A N LYS 319.A O no hydrogen 2.841 N/A SER 311.A OG HIS 290.A NE2 no hydrogen 2.646 N/A THR 312.A N ASN 296.A O no hydrogen 3.043 N/A SER 313.A OG ARG 292.A O no hydrogen 2.972 N/A SER 313.A OG ILE 293.A O no hydrogen 2.959 N/A MET 314.A N ILE 293.A O no hydrogen 2.999 N/A ASP 315.A N SER 313.A OG no hydrogen 3.033 N/A ARG 316.A N SER 313.A O no hydrogen 2.940 N/A ARG 316.A NH1 SER 9.A OG no hydrogen 3.121 N/A ASP 317.A N ASP 315.A OD1 no hydrogen 2.902 N/A VAL 318.A N LEU 332.A O no hydrogen 2.846 N/A LYS 319.A N SER 311.A O no hydrogen 3.112 N/A LYS 319.A NZ GLN 288.A O no hydrogen 3.007 N/A CYS 320.A N TRP 330.A O no hydrogen 2.845 N/A TRP 321.A N LEU 309.A O no hydrogen 2.869 N/A TRP 321.A NE1 SER 311.A OG no hydrogen 3.053 N/A ASP 322.A N GLU 327.A O no hydrogen 2.873 N/A ILE 323.A N GLN 307.A O no hydrogen 2.934 N/A THR 325.A N ASP 322.A OD2 no hydrogen 2.988 N/A THR 325.A OG1 ASP 322.A OD2 no hydrogen 2.872 N/A GLU 327.A N THR 325.A OG1 no hydrogen 3.237 N/A CYS 328.A SG GLN 288.A O no hydrogen 3.940 N/A CYS 328.A SG CYS 320.A O no hydrogen 3.821 N/A CYS 328.A SG TRP 330.A O no hydrogen 3.608 N/A SER 329.A N CYS 320.A O no hydrogen 2.774 N/A THR 331.A OG1 VAL 318.A O no hydrogen 3.462 N/A LEU 332.A N VAL 318.A O no hydrogen 2.617 N/A SER 334.A OG SER 9.A OG no hydrogen 2.800 N/A SER 334.A OG ARG 316.A O no hydrogen 2.503 N/A LEU 335.A N PRO 7.A O no hydrogen 2.831 N/A ALA 339.A N ALA 650.A O no hydrogen 3.145 N/A TYR 340.A N GLY 355.A O no hydrogen 2.811 N/A SER 341.A N GLY 355.A O no hydrogen 3.317 N/A ALA 343.A N ALA 353.A O no hydrogen 2.966 N/A SER 345.A N SER 351.A O no hydrogen 3.094 N/A ASP 348.A N SER 345.A OG no hydrogen 3.063 N/A SER 351.A N ASP 348.A O no hydrogen 3.194 N/A LEU 352.A N TRP 364.A O no hydrogen 3.002 N/A ALA 353.A N ALA 343.A O no hydrogen 2.695 N/A ILE 354.A N ARG 362.A O no hydrogen 2.725 N/A GLY 355.A N SER 341.A O no hydrogen 3.183 N/A GLY 357.A N PHE 338.A O no hydrogen 2.902 N/A GLY 359.A N VAL 356.A O no hydrogen 3.367 N/A ILE 361.A N PHE 378.A O no hydrogen 2.764 N/A ARG 362.A N ILE 354.A O no hydrogen 3.023 N/A ARG 362.A NH1 ASP 358.A OD1 no hydrogen 3.356 N/A ARG 362.A NH1 ASP 358.A OD2 no hydrogen 3.196 N/A ARG 362.A NH1 MET 360.A O no hydrogen 3.343 N/A ARG 362.A NH2 SER 334.A O no hydrogen 2.928 N/A ARG 362.A NH2 ASP 358.A OD2 no hydrogen 2.903 N/A VAL 363.A N LYS 376.A O no hydrogen 2.866 N/A TRP 364.A N LEU 352.A O no hydrogen 3.029 N/A ASN 365.A N ASP 374.A O no hydrogen 2.964 N/A ASN 365.A ND2 ASP 374.A OD2 no hydrogen 3.035 N/A THR 366.A N GLY 350.A O no hydrogen 3.253 N/A LEU 367.A N ASN 365.A OD1 no hydrogen 3.372 N/A SER 368.A N ASN 365.A O no hydrogen 3.370 N/A ASN 371.A N SER 368.A OG no hydrogen 3.177 N/A TYR 373.A N ASN 371.A OD1 no hydrogen 2.644 N/A TYR 373.A OH THR 5.A O no hydrogen 3.116 N/A LYS 376.A N VAL 363.A O no hydrogen 2.902 N/A PHE 378.A N ILE 361.A O no hydrogen 2.753 N/A VAL 386.A N VAL 356.A O no hydrogen 3.287 N/A THR 387.A N GLY 402.A O no hydrogen 2.870 N/A THR 387.A OG1 GLY 402.A O no hydrogen 3.332 N/A THR 387.A OG1 VAL 430.A O no hydrogen 2.685 N/A ALA 388.A N GLY 402.A O no hydrogen 3.294 N/A CYS 390.A N ALA 400.A O no hydrogen 2.820 N/A CYS 390.A SG TRP 391.A O no hydrogen 3.684 N/A CYS 390.A SG LEU 433.A O no hydrogen 3.815 N/A TRP 391.A NE1 ALA 343.A O no hydrogen 2.868 N/A HIS 392.A N CYS 398.A O no hydrogen 2.922 N/A THR 394.A N HIS 392.A ND1 no hydrogen 3.016 N/A LYS 395.A N HIS 392.A ND1 no hydrogen 2.844 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.611 N/A LEU 399.A N TYR 411.A O no hydrogen 2.877 N/A ALA 400.A N CYS 390.A O no hydrogen 3.095 N/A PHE 401.A N GLY 409.A O no hydrogen 2.882 N/A GLY 402.A N ALA 388.A O no hydrogen 2.813 N/A THR 403.A N LYS 407.A O no hydrogen 2.877 N/A ASP 404.A N LYS 385.A O no hydrogen 2.879 N/A ASP 405.A N THR 403.A OG1 no hydrogen 3.121 N/A GLY 406.A N THR 403.A O no hydrogen 2.989 N/A LYS 407.A N THR 403.A OG1 no hydrogen 3.298 N/A LYS 407.A NZ GLY 381.A O no hydrogen 2.605 N/A LYS 407.A NZ VAL 382.A O no hydrogen 3.409 N/A GLY 409.A N PHE 401.A O no hydrogen 2.943 N/A LEU 410.A N GLN 420.A O no hydrogen 2.649 N/A TYR 411.A N LEU 399.A O no hydrogen 2.646 N/A THR 413.A N GLY 397.A O no hydrogen 2.529 N/A THR 413.A OG1 GLY 397.A O no hydrogen 3.036 N/A TYR 414.A N ASP 412.A OD1 no hydrogen 3.003 N/A TYR 414.A OH ASP 348.A OD2 no hydrogen 2.765 N/A SER 415.A N ASP 412.A OD1 no hydrogen 3.357 N/A SER 415.A OG ASP 412.A O no hydrogen 3.235 N/A LYS 417.A N SER 415.A OG no hydrogen 3.071 N/A GLN 420.A N LEU 410.A O no hydrogen 2.987 N/A SER 422.A N VAL 408.A O no hydrogen 2.680 N/A SER 422.A OG THR 424.A O no hydrogen 3.177 N/A SER 423.A N LEU 463.A O no hydrogen 2.987 N/A SER 423.A OG SER 464.A O no hydrogen 3.047 N/A THR 424.A N SER 422.A OG no hydrogen 3.291 N/A HIS 426.A N GLY 406.A O no hydrogen 2.645 N/A HIS 426.A ND1 GLU 452.A OE2 no hydrogen 2.651 N/A HIS 426.A NE2 SER 448.A OG no hydrogen 2.472 N/A LYS 428.A N GLU 452.A OE1 no hydrogen 3.140 N/A THR 429.A OG1 ASP 404.A OD1 no hydrogen 3.368 N/A VAL 430.A N THR 403.A O no hydrogen 3.104 N/A TYR 431.A N CYS 449.A O no hydrogen 2.986 N/A THR 432.A OG1 LEU 433.A O no hydrogen 3.509 N/A ALA 434.A N TYR 447.A O no hydrogen 2.886 N/A TRP 435.A NE1 CYS 390.A O no hydrogen 3.321 N/A GLY 436.A N ALA 445.A O no hydrogen 3.134 N/A MET 442.A N VAL 439.A O no hydrogen 2.902 N/A ALA 445.A N GLY 436.A O no hydrogen 2.894 N/A TYR 447.A N ALA 434.A O no hydrogen 2.782 N/A TYR 447.A OH PRO 437.A O no hydrogen 2.572 N/A SER 448.A N LEU 456.A O no hydrogen 2.951 N/A SER 448.A OG HIS 426.A NE2 no hydrogen 2.472 N/A CYS 449.A N THR 432.A O no hydrogen 3.057 N/A CYS 449.A SG GLY 450.A O no hydrogen 4.022 N/A CYS 449.A SG HIS 487.A O no hydrogen 3.256 N/A GLY 450.A N ILE 454.A O no hydrogen 2.908 N/A GLY 451.A N THR 429.A O no hydrogen 2.663 N/A GLU 452.A N GLU 452.A OE1 no hydrogen 2.364 N/A GLY 453.A N GLY 450.A O no hydrogen 2.711 N/A LEU 456.A N SER 448.A O no hydrogen 2.787 N/A GLN 457.A N PHE 468.A O no hydrogen 2.753 N/A GLN 457.A NE2 VAL 439.A O no hydrogen 3.391 N/A HIS 458.A N LEU 446.A O no hydrogen 2.912 N/A HIS 458.A ND1 LEU 446.A O no hydrogen 2.950 N/A LYS 462.A N ASN 459.A OD1 no hydrogen 3.373 N/A GLY 465.A N LYS 462.A O no hydrogen 2.776 N/A ALA 467.A N THR 424.A OG1 no hydrogen 3.104 N/A PHE 468.A N GLN 457.A O no hydrogen 3.052 N/A ILE 470.A N VAL 455.A O no hydrogen 3.108 N/A ASN 471.A N ASP 469.A OD1 no hydrogen 2.923 N/A LYS 472.A N ASP 469.A O no hydrogen 3.262 N/A ILE 474.A N ILE 470.A O no hydrogen 3.113 N/A ARG 475.A N ASN 471.A O no hydrogen 2.918 N/A ASP 476.A N LYS 472.A O no hydrogen 3.007 N/A THR 477.A N LEU 473.A O no hydrogen 2.799 N/A THR 477.A OG1 LEU 473.A O no hydrogen 3.353 N/A THR 477.A OG1 ASN 515.A O no hydrogen 2.692 N/A ASN 478.A N ILE 474.A O no hydrogen 3.047 N/A ASN 478.A ND2 ILE 474.A O no hydrogen 3.165 N/A ASN 478.A ND2 LEU 516.A O no hydrogen 2.934 N/A SER 479.A OG ASN 478.A O no hydrogen 2.470 N/A ILE 480.A N ARG 475.A O no hydrogen 3.170 N/A HIS 487.A N GLY 453.A O no hydrogen 2.847 N/A HIS 487.A ND1 ASN 503.A OD1 no hydrogen 2.745 N/A HIS 487.A NE2 ASN 471.A OD1 no hydrogen 2.740 N/A THR 488.A N GLY 502.A O no hydrogen 2.512 N/A THR 488.A OG1 GLY 502.A O no hydrogen 3.090 N/A THR 488.A OG1 VAL 529.A O no hydrogen 2.764 N/A GLU 489.A N GLY 502.A O no hydrogen 3.041 N/A SER 491.A N ALA 500.A O no hydrogen 2.899 N/A SER 491.A OG ILE 532.A O no hydrogen 3.464 N/A LYS 493.A N ILE 498.A O no hydrogen 2.748 N/A LYS 493.A NZ ASP 495.A OD2 no hydrogen 2.371 N/A GLY 496.A N LYS 493.A O no hydrogen 2.633 N/A LYS 497.A N ASP 495.A OD1 no hydrogen 2.612 N/A MET 499.A N PHE 511.A O no hydrogen 3.150 N/A ALA 500.A N SER 491.A O no hydrogen 2.652 N/A LEU 501.A N GLU 509.A O no hydrogen 2.836 N/A GLY 502.A N GLU 489.A O no hydrogen 2.882 N/A ASN 503.A N SER 507.A O no hydrogen 3.015 N/A ASN 503.A ND2 SER 507.A OG no hydrogen 3.278 N/A GLU 504.A N VAL 486.A O no hydrogen 2.777 N/A GLY 506.A N ASN 503.A O no hydrogen 2.893 N/A SER 507.A N ASP 505.A OD1 no hydrogen 2.605 N/A SER 507.A OG ASP 505.A OD1 no hydrogen 2.659 N/A SER 507.A OG ASP 505.A OD2 no hydrogen 3.290 N/A ILE 508.A N ILE 522.A O no hydrogen 2.783 N/A GLU 509.A N LEU 501.A O no hydrogen 2.794 N/A ILE 510.A N CYS 520.A O no hydrogen 2.872 N/A PHE 511.A N MET 499.A O no hydrogen 2.901 N/A GLN 512.A N LYS 517.A O no hydrogen 2.709 N/A LEU 516.A N GLN 512.A O no hydrogen 2.866 N/A LEU 518.A N ASN 478.A OD1 no hydrogen 2.689 N/A ILE 519.A N ILE 510.A O no hydrogen 2.802 N/A CYS 520.A N ILE 510.A O no hydrogen 3.463 N/A THR 521.A N VAL 574.A O no hydrogen 2.711 N/A THR 521.A OG1 GLU 509.A OE1 no hydrogen 2.962 N/A ILE 522.A N ILE 508.A O no hydrogen 2.677 N/A GLN 523.A N ILE 576.A O no hydrogen 3.247 N/A LYS 527.A NZ ASN 554.A OD1 no hydrogen 2.864 N/A VAL 529.A N ASN 503.A O no hydrogen 3.455 N/A ASN 530.A N GLY 551.A O no hydrogen 2.603 N/A ASN 530.A ND2 ASN 553.A OD1 no hydrogen 2.887 N/A ASN 530.A ND2 ILE 590.A O no hydrogen 3.014 N/A THR 531.A N GLY 551.A O no hydrogen 3.039 N/A ILE 532.A N GLU 489.A OE2 no hydrogen 2.988 N/A SER 533.A N ALA 549.A O no hydrogen 2.853 N/A HIS 535.A N LEU 547.A O no hydrogen 3.097 N/A HIS 535.A ND1 HIS 536.A O no hydrogen 2.854 N/A SER 540.A N ASP 600.A OD1 no hydrogen 3.338 N/A SER 540.A N ASP 600.A OD2 no hydrogen 2.817 N/A LEU 544.A N GLN 541.A O no hydrogen 3.294 N/A SER 545.A N PRO 542.A O no hydrogen 3.508 N/A TYR 546.A N GLU 543.A O no hydrogen 3.235 N/A LEU 547.A N LEU 544.A O no hydrogen 3.204 N/A MET 548.A N HIS 560.A O no hydrogen 2.704 N/A ALA 549.A N SER 533.A O no hydrogen 2.863 N/A SER 550.A OG HIS 525.A NE2 no hydrogen 2.888 N/A GLY 551.A N THR 531.A O no hydrogen 2.636 N/A SER 552.A OG HIS 525.A ND1 no hydrogen 3.179 N/A ASN 553.A N LEU 528.A O no hydrogen 2.923 N/A ASN 554.A N SER 552.A OG no hydrogen 2.972 N/A ILE 557.A N LEU 583.A O no hydrogen 2.950 N/A TYR 558.A N SER 550.A O no hydrogen 3.329 N/A VAL 559.A N ARG 581.A O no hydrogen 2.866 N/A HIS 560.A N MET 548.A O no hydrogen 2.859 N/A LEU 562.A N TYR 546.A O no hydrogen 3.226 N/A LYS 563.A N ASN 561.A OD1 no hydrogen 3.053 N/A ILE 566.A N LEU 562.A O no hydrogen 2.829 N/A GLU 567.A N LYS 563.A O no hydrogen 3.006 N/A SER 568.A N THR 564.A O no hydrogen 3.271 N/A SER 568.A OG THR 564.A O no hydrogen 2.766 N/A SER 569.A N VAL 565.A O no hydrogen 3.311 N/A SER 569.A N ILE 566.A O no hydrogen 3.361 N/A SER 569.A OG SER 569.A O no hydrogen 2.264 N/A VAL 574.A N ILE 519.A O no hydrogen 3.186 N/A ILE 576.A N THR 521.A O no hydrogen 2.864 N/A ARG 581.A N VAL 559.A O no hydrogen 2.932 N/A ARG 581.A NE LEU 618.A O no hydrogen 2.810 N/A ARG 581.A NH1 TYR 580.A O no hydrogen 2.590 N/A THR 582.A N GLU 620.A OE1 no hydrogen 2.399 N/A LEU 583.A N ILE 557.A O no hydrogen 2.793 N/A THR 587.A N ASP 609.A OD2 no hydrogen 3.159 N/A THR 587.A OG1 PRO 669.A O no hydrogen 3.462 N/A LYS 589.A NZ ASN 530.A OD1 no hydrogen 3.482 N/A LYS 589.A NZ ASN 553.A OD1 no hydrogen 3.402 N/A ILE 590.A N SER 552.A O no hydrogen 3.003 N/A THR 591.A N ALA 606.A O no hydrogen 2.766 N/A THR 591.A OG1 ALA 606.A O no hydrogen 3.282 N/A THR 591.A OG1 LEU 633.A O no hydrogen 2.748 N/A VAL 593.A N THR 531.A OG1 no hydrogen 3.047 N/A ALA 594.A N VAL 604.A O no hydrogen 3.030 N/A TRP 595.A NE1 SER 533.A O no hydrogen 3.011 N/A SER 596.A N ARG 602.A O no hydrogen 2.839 N/A HIS 598.A N SER 596.A OG no hydrogen 3.111 N/A HIS 598.A NE2 SER 639.A O no hydrogen 2.688 N/A HIS 599.A N SER 596.A OG no hydrogen 3.360 N/A HIS 599.A NE2 PRO 643.A O no hydrogen 3.040 N/A GLY 601.A N HIS 535.A NE2 no hydrogen 3.077 N/A LEU 603.A N TRP 615.A O no hydrogen 3.020 N/A VAL 604.A N ALA 594.A O no hydrogen 2.932 N/A SER 605.A N GLN 613.A O no hydrogen 2.800 N/A SER 605.A OG GLN 613.A O no hydrogen 3.474 N/A ALA 606.A N SER 592.A O no hydrogen 2.811 N/A SER 607.A OG ALA 588.A O no hydrogen 3.310 N/A SER 607.A OG LYS 589.A O no hydrogen 3.111 N/A TYR 608.A N LYS 589.A O no hydrogen 2.777 N/A ASP 609.A N SER 607.A OG no hydrogen 3.085 N/A GLY 610.A N SER 607.A O no hydrogen 3.203 N/A THR 611.A N ASP 609.A OD1 no hydrogen 2.869 N/A THR 611.A OG1 ASP 609.A OD1 no hydrogen 2.882 N/A THR 611.A OG1 ASN 625.A OD1 no hydrogen 3.031 N/A ALA 612.A N PHE 626.A O no hydrogen 2.973 N/A GLN 613.A N SER 605.A O no hydrogen 3.037 N/A VAL 614.A N CYS 624.A O no hydrogen 2.609 N/A TRP 615.A N LEU 603.A O no hydrogen 2.639 N/A ASP 616.A N GLU 621.A O no hydrogen 2.724 N/A ALA 617.A N GLY 601.A O no hydrogen 2.809 N/A LEU 618.A N ASP 616.A OD1 no hydrogen 3.104 N/A ARG 619.A N ASP 616.A OD1 no hydrogen 3.482 N/A GLU 620.A N ALA 617.A O no hydrogen 3.363 N/A GLU 621.A N ASP 616.A O no hydrogen 3.077 N/A LEU 623.A N VAL 614.A O no hydrogen 2.756 N/A CYS 624.A N VAL 614.A O no hydrogen 3.365 N/A CYS 624.A SG THR 660.A O no hydrogen 3.632 N/A ASN 625.A N HIS 665.A O no hydrogen 2.790 N/A PHE 626.A N ALA 612.A O no hydrogen 2.529 N/A ARG 627.A NH2 ARG 667.A O no hydrogen 2.905 N/A ARG 630.A N ASP 652.A OD2 no hydrogen 2.961 N/A ARG 632.A N ASP 651.A OD1 no hydrogen 2.623 N/A LEU 633.A N SER 607.A O no hydrogen 3.293 N/A LEU 634.A N GLY 649.A O no hydrogen 2.900 N/A CYS 635.A SG ALA 339.A O no hydrogen 3.456 N/A CYS 635.A SG GLY 649.A O no hydrogen 3.945 N/A ALA 637.A N TYR 647.A O no hydrogen 2.794 N/A TRP 638.A NE1 PRO 643.A O no hydrogen 3.359 N/A SER 639.A N CYS 645.A O no hydrogen 3.071 N/A LEU 641.A N SER 639.A OG no hydrogen 3.178 N/A ASP 642.A N SER 639.A OG no hydrogen 3.115 N/A ASP 644.A N ASP 642.A OD1 no hydrogen 3.118 N/A CYS 645.A N ASP 642.A O no hydrogen 3.424 N/A CYS 645.A SG TRP 658.A O no hydrogen 4.010 N/A ILE 646.A N TRP 658.A O no hydrogen 2.863 N/A TYR 647.A N ALA 637.A O no hydrogen 2.922 N/A SER 648.A N HIS 656.A O no hydrogen 2.892 N/A GLY 649.A N CYS 635.A O no hydrogen 3.130 N/A ALA 650.A N CYS 654.A O no hydrogen 3.138 N/A ASP 651.A N ARG 632.A O no hydrogen 2.907 N/A CYS 654.A SG ASP 652.A O no hydrogen 3.817 N/A VAL 655.A N LEU 6.A O no hydrogen 3.169 N/A HIS 656.A N SER 648.A O no hydrogen 2.830 N/A LYS 657.A N ARG 4.A O no hydrogen 2.977 N/A LYS 657.A NZ TYR 647.A OH no hydrogen 2.373 N/A TRP 658.A N ILE 646.A O no hydrogen 2.845 N/A TRP 658.A NE1 SER 648.A OG no hydrogen 2.974 N/A THR 660.A N ASP 644.A O no hydrogen 2.566 N/A SER 661.A OG ASP 644.A OD2 no hydrogen 2.621 N/A MET 662.A N LEU 659.A O no hydrogen 2.843 N/A GLN 663.A NE2 LEU 659.A O no hydrogen 3.370 N/A