Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qnf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 ARG 8.A O no hydrogen 2.923 N/A ARG 8.A NE GLU 147.A OE1 no hydrogen 3.206 N/A LEU 9.A N GLU 147.A OE2 no hydrogen 2.705 N/A ILE 14.A N THR 40.A O no hydrogen 3.117 N/A VAL 16.A N GLU 38.A O no hydrogen 2.872 N/A HIS 17.A ND1 SER 153.A OG no hydrogen 2.641 N/A TYR 18.A N SER 153.A O no hydrogen 2.740 N/A ASP 19.A N LYS 36.A O no hydrogen 2.627 N/A LEU 20.A N SER 155.A O no hydrogen 2.695 N/A LEU 21.A N THR 34.A O no hydrogen 3.086 N/A ILE 22.A N LYS 157.A O no hydrogen 2.805 N/A HIS 23.A N TRP 32.A O no hydrogen 2.963 N/A ASN 25.A N THR 30.A O no hydrogen 2.574 N/A THR 27.A N ASN 25.A OD1 no hydrogen 2.929 N/A THR 28.A N ASN 25.A OD1 no hydrogen 2.818 N/A THR 30.A N ASN 25.A O no hydrogen 3.168 N/A THR 30.A OG1 ASN 105.A OD1 no hydrogen 3.188 N/A PHE 31.A N GLY 104.A O no hydrogen 2.821 N/A TRP 32.A N HIS 23.A O no hydrogen 2.775 N/A GLY 33.A N TYR 102.A O no hydrogen 2.752 N/A THR 34.A N LEU 21.A O no hydrogen 3.184 N/A THR 34.A OG1 HIS 101.A ND1 no hydrogen 2.855 N/A THR 35.A N ILE 100.A O no hydrogen 2.738 N/A LYS 36.A N ASP 19.A O no hydrogen 2.948 N/A VAL 37.A N VAL 98.A O no hydrogen 2.752 N/A GLU 38.A N HIS 17.A O no hydrogen 2.794 N/A ILE 39.A N TYR 96.A O no hydrogen 2.740 N/A THR 40.A N ILE 14.A O no hydrogen 3.140 N/A SER 42.A N TYR 12.A O no hydrogen 2.936 N/A SER 42.A OG TYR 12.A O no hydrogen 3.292 N/A THR 45.A OG1 THR 47.A O no hydrogen 2.891 N/A THR 47.A N THR 45.A OG1 no hydrogen 3.057 N/A ILE 48.A N LEU 84.A O no hydrogen 2.799 N/A LEU 50.A N ILE 82.A O no hydrogen 3.041 N/A HIS 51.A N CYS 144.A O no hydrogen 2.625 N/A SER 52.A N GLU 80.A O no hydrogen 2.975 N/A HIS 53.A N ARG 139.A O no hydrogen 2.874 N/A GLN 56.A N ALA 103.A O no hydrogen 2.821 N/A SER 58.A N HIS 101.A O no hydrogen 2.918 N/A SER 58.A OG HIS 101.A O no hydrogen 3.225 N/A THR 61.A N VAL 99.A O no hydrogen 2.905 N/A LEU 62.A N GLU 69.A O no hydrogen 2.809 N/A ARG 63.A N THR 97.A O no hydrogen 2.613 N/A ARG 63.A NE GLU 68.A OE2 no hydrogen 2.953 N/A SER 67.A N LYS 64.A O no hydrogen 3.068 N/A GLU 69.A N LEU 62.A O no hydrogen 3.199 N/A LEU 71.A N ALA 60.A O no hydrogen 2.856 N/A GLN 72.A N LEU 85.A O no hydrogen 3.178 N/A LEU 74.A N ALA 83.A O no hydrogen 2.883 N/A HIS 76.A N GLN 81.A O no hydrogen 3.135 N/A GLN 79.A N HIS 76.A ND1 no hydrogen 3.277 N/A GLN 79.A N HIS 76.A O no hydrogen 2.983 N/A GLU 80.A N PRO 77.A O no hydrogen 3.045 N/A GLN 81.A N HIS 76.A O no hydrogen 3.452 N/A GLN 81.A NE2 LYS 6.A O no hydrogen 3.083 N/A ILE 82.A N LEU 50.A O no hydrogen 2.786 N/A ALA 83.A N LEU 74.A O no hydrogen 2.691 N/A LEU 84.A N ILE 48.A O no hydrogen 2.769 N/A LEU 85.A N GLN 72.A O no hydrogen 3.004 N/A ALA 86.A N SER 46.A O no hydrogen 2.862 N/A LEU 90.A N THR 45.A O no hydrogen 2.771 N/A LEU 91.A N TYR 96.A OH no hydrogen 2.708 N/A GLY 93.A N ALA 41.A O no hydrogen 3.136 N/A LEU 94.A N LEU 91.A O no hydrogen 3.245 N/A TYR 96.A N ILE 39.A O no hydrogen 2.996 N/A THR 97.A N ARG 63.A O no hydrogen 2.863 N/A VAL 98.A N VAL 37.A O no hydrogen 2.986 N/A VAL 99.A N THR 61.A O no hydrogen 2.810 N/A ILE 100.A N THR 35.A O no hydrogen 2.791 N/A HIS 101.A N ARG 59.A O no hydrogen 3.015 N/A HIS 101.A ND1 THR 34.A OG1 no hydrogen 2.855 N/A TYR 102.A N GLY 33.A O no hydrogen 2.843 N/A TYR 102.A OH ALA 141.A O no hydrogen 2.672 N/A ALA 103.A N GLN 56.A O no hydrogen 2.682 N/A GLY 104.A N PHE 31.A O no hydrogen 2.849 N/A LEU 106.A N LEU 29.A O no hydrogen 3.299 N/A SER 107.A N PHE 113.A O no hydrogen 2.902 N/A SER 107.A OG THR 109.A OG1 no hydrogen 3.003 N/A SER 107.A OG HIS 111.A O no hydrogen 3.454 N/A THR 109.A N SER 107.A OG no hydrogen 3.233 N/A THR 109.A OG1 SER 107.A OG no hydrogen 3.003 N/A GLY 112.A N GLN 132.A O no hydrogen 2.937 N/A TYR 114.A N SER 130.A O no hydrogen 2.863 N/A LYS 115.A N SER 107.A O no hydrogen 2.998 N/A SER 116.A N LEU 128.A O no hydrogen 3.091 N/A TYR 118.A N ARG 126.A O no hydrogen 3.116 N/A TYR 118.A OH ASP 204.A OD2 no hydrogen 2.404 N/A THR 120.A N GLU 124.A O no hydrogen 2.826 N/A THR 120.A OG1 ASP 225.A OD1 no hydrogen 3.530 N/A THR 120.A OG1 ASP 225.A OD2 no hydrogen 3.558 N/A LYS 121.A N ASP 225.A OD2 no hydrogen 2.982 N/A GLY 123.A N THR 120.A O no hydrogen 2.781 N/A ARG 126.A N TYR 118.A O no hydrogen 2.999 N/A ARG 126.A NE GLU 124.A OE2 no hydrogen 3.312 N/A LEU 128.A N SER 116.A O no hydrogen 3.043 N/A ALA 129.A N ILE 202.A O no hydrogen 2.587 N/A SER 130.A N TYR 114.A O no hydrogen 3.218 N/A SER 130.A OG TYR 114.A OH no hydrogen 3.412 N/A THR 131.A OG1 PHE 200.A O no hydrogen 3.507 N/A GLN 132.A N GLY 112.A O no hydrogen 2.753 N/A GLN 132.A NE2 GLU 134.A O no hydrogen 3.397 N/A ALA 137.A N PHE 133.A O no hydrogen 2.821 N/A ARG 139.A N ASP 146.A OD2 no hydrogen 3.206 N/A ARG 139.A NE ASP 146.A OD2 no hydrogen 2.898 N/A ARG 139.A NH2 ASP 146.A O no hydrogen 2.858 N/A MET 140.A N ALA 137.A O no hydrogen 3.178 N/A ALA 141.A N ALA 138.A O no hydrogen 2.935 N/A PHE 142.A N ALA 138.A O no hydrogen 3.052 N/A CYS 144.A N HIS 51.A O no hydrogen 2.919 N/A CYS 144.A SG PHE 142.A O no hydrogen 3.301 N/A PHE 145.A N TYR 18.A OH no hydrogen 3.112 N/A ASP 146.A N HIS 51.A ND1 no hydrogen 3.133 N/A GLU 147.A N PHE 145.A O no hydrogen 2.880 N/A PHE 150.A N GLU 147.A O no hydrogen 3.085 N/A LYS 151.A NZ LYS 414.A O no hydrogen 2.654 N/A ALA 152.A N MET 193.A O no hydrogen 2.848 N/A SER 153.A N VAL 16.A O no hydrogen 3.339 N/A SER 153.A OG VAL 16.A O no hydrogen 3.435 N/A SER 153.A OG HIS 17.A ND1 no hydrogen 2.641 N/A PHE 154.A N THR 190.A OG1 no hydrogen 2.817 N/A SER 155.A N TYR 18.A O no hydrogen 2.904 N/A LYS 157.A N LEU 20.A O no hydrogen 2.626 N/A ILE 158.A N ASP 185.A O no hydrogen 2.971 N/A ARG 159.A N ILE 22.A O no hydrogen 2.843 N/A ARG 159.A NE GLU 184.A OE2 no hydrogen 2.937 N/A ARG 159.A NH2 GLU 184.A OE2 no hydrogen 2.849 N/A ARG 160.A N ILE 183.A O no hydrogen 2.882 N/A ARG 160.A NE ASP 185.A OD2 no hydrogen 2.802 N/A ARG 160.A NH2 ASP 185.A OD1 no hydrogen 3.033 N/A ARG 160.A NH2 ASP 185.A OD2 no hydrogen 3.220 N/A ARG 163.A NH1 GLU 161.A OE1 no hydrogen 3.210 N/A HIS 164.A N GLU 161.A O no hydrogen 2.914 N/A LEU 165.A N SER 203.A O no hydrogen 2.612 N/A ILE 167.A N ILE 201.A O no hydrogen 2.993 N/A SER 168.A OG ALA 199.A O no hydrogen 2.715 N/A ASN 169.A N SER 168.A OG no hydrogen 2.635 N/A ASN 169.A ND2 LEU 197.A O no hydrogen 3.126 N/A ASN 169.A ND2 TRP 273.A O no hydrogen 2.646 N/A VAL 173.A N HIS 186.A O no hydrogen 2.723 N/A LYS 174.A N HIS 186.A O no hydrogen 3.323 N/A SER 175.A OG ASP 185.A OD1 no hydrogen 2.901 N/A VAL 176.A N GLU 184.A O no hydrogen 3.015 N/A VAL 178.A N LEU 182.A O no hydrogen 2.941 N/A ALA 179.A N LEU 182.A O no hydrogen 3.317 N/A LEU 182.A N ALA 179.A O no hydrogen 3.281 N/A ILE 183.A N ARG 160.A O no hydrogen 2.862 N/A GLU 184.A N VAL 176.A O no hydrogen 2.673 N/A ASP 185.A N ILE 158.A O no hydrogen 2.673 N/A HIS 186.A N LYS 174.A O no hydrogen 2.806 N/A HIS 186.A NE2 GLU 184.A OE1 no hydrogen 2.459 N/A PHE 187.A N ILE 156.A O no hydrogen 3.008 N/A ASP 188.A N PRO 171.A O no hydrogen 3.011 N/A THR 190.A N PHE 154.A O no hydrogen 2.955 N/A THR 190.A OG1 VAL 191.A O no hydrogen 3.014 N/A MET 193.A N ALA 152.A O no hydrogen 2.757 N/A SER 194.A OG PRO 148.A O no hydrogen 2.720 N/A SER 194.A OG THR 316.A OG1 no hydrogen 3.397 N/A THR 195.A OG1 ASP 146.A OD1 no hydrogen 2.797 N/A LEU 197.A N SER 194.A O no hydrogen 3.205 N/A VAL 198.A N THR 195.A O no hydrogen 3.184 N/A ALA 199.A N ASN 169.A OD1 no hydrogen 2.809 N/A PHE 200.A N THR 131.A OG1 no hydrogen 3.182 N/A ILE 201.A N ILE 167.A O no hydrogen 2.818 N/A ILE 202.A N ALA 129.A O no hydrogen 2.520 N/A SER 203.A N LEU 165.A O no hydrogen 2.822 N/A PHE 205.A N SER 203.A OG no hydrogen 3.196 N/A VAL 208.A N VAL 220.A O no hydrogen 3.066 N/A SER 209.A OG SER 219.A OG no hydrogen 2.639 N/A LYS 210.A N VAL 218.A O no hydrogen 2.769 N/A LYS 210.A NZ ASP 235.A OD1 no hydrogen 2.738 N/A THR 212.A N VAL 216.A O no hydrogen 2.935 N/A THR 212.A OG1 SER 214.A OG no hydrogen 3.179 N/A THR 212.A OG1 VAL 216.A O no hydrogen 3.398 N/A LYS 213.A N GLU 242.A OE2 no hydrogen 3.083 N/A SER 214.A OG THR 212.A OG1 no hydrogen 3.179 N/A SER 214.A OG GLU 245.A OE1 no hydrogen 2.265 N/A SER 214.A OG GLU 245.A OE2 no hydrogen 3.119 N/A GLY 215.A N THR 212.A O no hydrogen 2.823 N/A VAL 216.A N THR 212.A OG1 no hydrogen 2.950 N/A VAL 218.A N LYS 210.A O no hydrogen 2.827 N/A SER 219.A N GLN 257.A O no hydrogen 2.871 N/A SER 219.A OG SER 209.A OG no hydrogen 2.639 N/A SER 219.A OG ASP 258.A OD1 no hydrogen 3.195 N/A VAL 220.A N VAL 208.A O no hydrogen 2.875 N/A TYR 221.A N LEU 259.A O no hydrogen 2.689 N/A ALA 222.A N GLU 206.A O no hydrogen 3.296 N/A LYS 226.A N VAL 223.A O no hydrogen 3.010 N/A GLN 229.A N LYS 226.A O no hydrogen 2.749 N/A ALA 230.A N ILE 227.A O no hydrogen 3.320 N/A TYR 232.A OH THR 299.A OG1 no hydrogen 2.745 N/A LEU 234.A N ALA 230.A O no hydrogen 3.097 N/A ASP 235.A N ASP 231.A O no hydrogen 3.250 N/A ALA 236.A N TYR 232.A O no hydrogen 2.965 N/A ALA 237.A N ALA 233.A O no hydrogen 2.752 N/A VAL 238.A N LEU 234.A O no hydrogen 3.131 N/A THR 239.A N ASP 235.A O no hydrogen 3.296 N/A THR 239.A OG1 ASP 235.A O no hydrogen 3.296 N/A LEU 240.A N ALA 236.A O no hydrogen 2.942 N/A LEU 241.A N ALA 237.A O no hydrogen 2.733 N/A GLU 242.A N VAL 238.A O no hydrogen 2.931 N/A PHE 243.A N THR 239.A O no hydrogen 2.771 N/A TYR 244.A N LEU 240.A O no hydrogen 2.803 N/A TYR 244.A OH ALA 303.A O no hydrogen 2.577 N/A GLU 245.A N LEU 241.A O no hydrogen 3.050 N/A ASP 246.A N GLU 242.A O no hydrogen 3.229 N/A TYR 247.A N PHE 243.A O no hydrogen 2.879 N/A PHE 248.A N TYR 244.A O no hydrogen 2.845 N/A SER 249.A OG ASP 246.A O no hydrogen 3.566 N/A TYR 252.A N GLU 245.A OE2 no hydrogen 3.235 N/A TYR 252.A OH LYS 256.A O no hydrogen 3.027 N/A LYS 256.A NZ SER 168.A O no hydrogen 2.979 N/A LYS 256.A NZ ASN 169.A O no hydrogen 3.379 N/A LYS 256.A NZ GLY 274.A O no hydrogen 2.859 N/A GLN 257.A N LYS 217.A O no hydrogen 3.067 N/A GLN 257.A NE2 TYR 252.A OH no hydrogen 2.689 N/A GLN 257.A NE2 GLN 309.A OE1 no hydrogen 2.970 N/A ASP 258.A N GLY 274.A O no hydrogen 2.913 N/A LEU 259.A N SER 219.A O no hydrogen 2.628 N/A ALA 260.A N THR 276.A O no hydrogen 2.798 N/A ALA 261.A N TYR 221.A O no hydrogen 2.933 N/A ILE 262.A N TYR 278.A O no hydrogen 2.934 N/A GLN 266.A NE2 ASP 264.A O no hydrogen 2.646 N/A MET 270.A N THR 277.A O no hydrogen 2.807 N/A ASN 272.A ND2 LEU 197.A O no hydrogen 3.646 N/A TRP 273.A N LEU 197.A O no hydrogen 3.319 N/A TRP 273.A NE1 GLN 309.A O no hydrogen 2.820 N/A GLY 274.A N GLN 309.A OE1 no hydrogen 3.024 N/A LEU 275.A N ASN 272.A O no hydrogen 3.042 N/A THR 276.A N ASP 258.A O no hydrogen 2.881 N/A THR 276.A OG1 GLN 257.A OE1 no hydrogen 2.951 N/A THR 276.A OG1 ASP 258.A O no hydrogen 3.216 N/A THR 276.A OG1 TYR 278.A OH no hydrogen 2.877 N/A THR 277.A N MET 270.A O no hydrogen 3.228 N/A THR 277.A OG1 ASN 272.A OD1 no hydrogen 3.196 N/A TYR 278.A N ALA 260.A O no hydrogen 2.835 N/A TYR 278.A OH THR 276.A OG1 no hydrogen 2.877 N/A ARG 279.A N GLY 268.A O no hydrogen 2.997 N/A ALA 282.A N ARG 279.A O no hydrogen 2.806 N/A LEU 283.A N GLU 280.A O no hydrogen 3.157 N/A LEU 284.A N GLU 280.A O no hydrogen 2.882 N/A PHE 285.A N GLN 229.A O no hydrogen 3.012 N/A SER 290.A N ASP 286.A O no hydrogen 3.369 N/A SER 293.A OG SER 291.A OG no hydrogen 3.146 N/A SER 294.A N SER 291.A O no hydrogen 2.985 N/A SER 294.A OG SER 291.A O no hydrogen 3.225 N/A ILE 298.A N SER 294.A O no hydrogen 3.056 N/A THR 299.A N LYS 295.A O no hydrogen 3.037 N/A THR 299.A OG1 LYS 295.A O no hydrogen 2.838 N/A MET 300.A N LEU 296.A O no hydrogen 2.856 N/A THR 301.A N GLY 297.A O no hydrogen 3.092 N/A THR 301.A OG1 GLY 297.A O no hydrogen 2.669 N/A VAL 302.A N ILE 298.A O no hydrogen 2.920 N/A ALA 303.A N THR 299.A O no hydrogen 2.779 N/A HIS 304.A N MET 300.A O no hydrogen 2.949 N/A HIS 304.A ND1 GLU 334.A OE2 no hydrogen 2.946 N/A GLU 305.A N THR 301.A O no hydrogen 2.775 N/A LEU 306.A N VAL 302.A O no hydrogen 2.744 N/A ALA 307.A N ALA 303.A O no hydrogen 3.015 N/A HIS 308.A N HIS 304.A O no hydrogen 3.296 N/A HIS 308.A ND1 PHE 311.A O no hydrogen 3.016 N/A HIS 308.A NE2 HIS 304.A NE2 no hydrogen 3.016 N/A HIS 308.A NE2 GLU 327.A OE2 no hydrogen 3.313 N/A GLN 309.A N LEU 306.A O no hydrogen 2.886 N/A GLN 309.A NE2 GLU 271.A O no hydrogen 3.080 N/A GLN 309.A NE2 GLU 305.A O no hydrogen 3.087 N/A TRP 310.A N ALA 307.A O no hydrogen 3.271 N/A TRP 310.A NE1 ILE 250.A O no hydrogen 2.825 N/A PHE 311.A N ALA 307.A O no hydrogen 2.927 N/A ASN 313.A N HIS 308.A O no hydrogen 2.895 N/A ASN 313.A ND2 GLU 271.A O no hydrogen 2.837 N/A LEU 314.A N TRP 310.A O no hydrogen 3.026 N/A VAL 315.A N TRP 310.A O no hydrogen 3.254 N/A THR 316.A N LYS 414.A O no hydrogen 3.420 N/A THR 316.A OG1 SER 194.A OG no hydrogen 3.397 N/A THR 316.A OG1 GLY 312.A O no hydrogen 2.773 N/A GLU 318.A N THR 416.A O no hydrogen 2.929 N/A TRP 319.A NE1 VAL 374.A O no hydrogen 3.085 N/A ASP 322.A N TRP 319.A O no hydrogen 3.094 N/A LEU 323.A N TRP 320.A O no hydrogen 3.117 N/A LEU 325.A N ASP 322.A O no hydrogen 3.216 N/A ASN 326.A N ASP 322.A O no hydrogen 3.379 N/A GLU 327.A N LEU 323.A O no hydrogen 2.982 N/A GLY 328.A N TRP 324.A O no hydrogen 2.780 N/A PHE 329.A N LEU 325.A O no hydrogen 2.892 N/A ALA 330.A N ASN 326.A O no hydrogen 3.090 N/A LYS 331.A N GLU 327.A O no hydrogen 2.827 N/A LYS 331.A NZ ASP 382.A OD1 no hydrogen 2.977 N/A PHE 332.A N GLY 328.A O no hydrogen 2.760 N/A MET 333.A N PHE 329.A O no hydrogen 2.719 N/A GLU 334.A N ALA 330.A O no hydrogen 2.882 N/A PHE 335.A N LYS 331.A O no hydrogen 3.478 N/A VAL 336.A N PHE 332.A O no hydrogen 3.008 N/A SER 337.A N MET 333.A O no hydrogen 2.698 N/A SER 337.A OG TYR 244.A OH no hydrogen 3.128 N/A SER 337.A OG MET 333.A O no hydrogen 2.780 N/A SER 337.A OG GLU 334.A O no hydrogen 3.288 N/A VAL 338.A N GLU 334.A O no hydrogen 2.965 N/A SER 339.A N PHE 335.A O no hydrogen 3.219 N/A SER 339.A OG PHE 335.A O no hydrogen 2.544 N/A SER 339.A OG VAL 336.A O no hydrogen 2.920 N/A VAL 340.A N SER 337.A O no hydrogen 2.815 N/A THR 341.A N SER 337.A O no hydrogen 2.878 N/A THR 341.A OG1 SER 337.A O no hydrogen 3.299 N/A THR 341.A OG1 HIS 342.A ND1 no hydrogen 3.035 N/A HIS 342.A N VAL 338.A O no hydrogen 2.766 N/A HIS 342.A ND1 THR 341.A OG1 no hydrogen 3.035 N/A GLU 344.A N GLU 344.A OE2 no hydrogen 2.953 N/A LEU 345.A N HIS 342.A O no hydrogen 3.056 N/A LYS 346.A N PRO 343.A O no hydrogen 3.149 N/A PHE 351.A N VAL 347.A O no hydrogen 3.107 N/A PHE 352.A N GLY 348.A O no hydrogen 3.307 N/A GLY 353.A N ASP 349.A O no hydrogen 3.461 N/A LYS 354.A N TYR 350.A O no hydrogen 3.255 N/A CYS 355.A N PHE 351.A O no hydrogen 3.131 N/A CYS 355.A SG PHE 351.A O no hydrogen 3.969 N/A PHE 356.A N PHE 352.A O no hydrogen 2.859 N/A ASP 357.A N GLY 353.A O no hydrogen 2.967 N/A ALA 358.A N LYS 354.A O no hydrogen 2.799 N/A MET 359.A N CYS 355.A O no hydrogen 2.899 N/A GLU 360.A N PHE 356.A O no hydrogen 2.866 N/A VAL 361.A N ASP 357.A O no hydrogen 3.197 N/A ASP 362.A N ALA 358.A O no hydrogen 2.826 N/A ALA 363.A N MET 359.A O no hydrogen 2.933 N/A LEU 364.A N VAL 361.A O no hydrogen 3.364 N/A SER 367.A N LEU 364.A O no hydrogen 3.022 N/A SER 367.A OG ASP 362.A OD2 no hydrogen 2.637 N/A SER 367.A OG HIS 368.A O no hydrogen 3.449 N/A SER 371.A N THR 439.A O no hydrogen 2.922 N/A THR 372.A OG1 PRO 369.A O no hydrogen 3.373 N/A VAL 379.A N ASP 378.A OD1 no hydrogen 2.686 N/A TYR 381.A N ASP 378.A O no hydrogen 3.227 N/A ASP 382.A N ASP 378.A O no hydrogen 3.313 N/A LYS 383.A N VAL 379.A O no hydrogen 2.803 N/A LYS 383.A NZ ASP 362.A OD1 no hydrogen 2.637 N/A LYS 383.A NZ GLY 443.A O no hydrogen 3.043 N/A GLY 384.A N SER 380.A O no hydrogen 2.960 N/A ALA 385.A N TYR 381.A O no hydrogen 2.846 N/A CYS 386.A N ASP 382.A O no hydrogen 2.964 N/A CYS 386.A SG ASP 382.A O no hydrogen 3.137 N/A ILE 387.A N LYS 383.A O no hydrogen 2.843 N/A LEU 388.A N GLY 384.A O no hydrogen 3.008 N/A ASN 389.A N ALA 385.A O no hydrogen 2.877 N/A ASN 389.A ND2 ASN 512.A O no hydrogen 3.536 N/A ASN 389.A ND2 ASN 512.A OD1 no hydrogen 3.004 N/A MET 390.A N CYS 386.A O no hydrogen 2.716 N/A LEU 391.A N ILE 387.A O no hydrogen 2.835 N/A ARG 392.A N LEU 388.A O no hydrogen 2.950 N/A GLU 393.A N ASN 389.A O no hydrogen 3.089 N/A TYR 394.A N MET 390.A O no hydrogen 3.282 N/A TYR 394.A N LEU 391.A O no hydrogen 3.024 N/A LEU 395.A N LEU 391.A O no hydrogen 3.136 N/A PHE 400.A N SER 396.A O no hydrogen 3.169 N/A LYS 401.A N ALA 397.A O no hydrogen 2.776 N/A SER 402.A N ASP 398.A O no hydrogen 2.910 N/A SER 402.A OG ASP 398.A O no hydrogen 3.106 N/A GLY 403.A N ALA 399.A O no hydrogen 2.979 N/A ILE 404.A N PHE 400.A O no hydrogen 3.072 N/A VAL 405.A N LYS 401.A O no hydrogen 3.000 N/A GLN 406.A N SER 402.A O no hydrogen 2.834 N/A TYR 407.A N GLY 403.A O no hydrogen 2.931 N/A TYR 407.A OH THR 416.A OG1 no hydrogen 2.778 N/A LEU 408.A N ILE 404.A O no hydrogen 2.810 N/A GLN 409.A N VAL 405.A O no hydrogen 2.864 N/A LYS 410.A N GLN 406.A O no hydrogen 2.706 N/A HIS 411.A N TYR 407.A O no hydrogen 3.083 N/A HIS 411.A ND1 TYR 407.A O no hydrogen 3.267 N/A SER 412.A OG LEU 408.A O no hydrogen 2.469 N/A SER 412.A OG GLN 409.A O no hydrogen 3.498 N/A TYR 413.A N LEU 314.A O no hydrogen 2.744 N/A LYS 414.A N HIS 411.A O no hydrogen 2.928 N/A ASN 415.A ND2 PRO 148.A O no hydrogen 3.135 N/A ASN 415.A ND2 THR 316.A O no hydrogen 3.256 N/A ASN 415.A ND2 MET 317.A O no hydrogen 2.958 N/A THR 416.A N THR 316.A O no hydrogen 2.951 N/A THR 416.A OG1 TYR 407.A OH no hydrogen 2.778 N/A LYS 417.A N ASP 420.A OD2 no hydrogen 2.763 N/A ASN 418.A N ASP 322.A OD2 no hydrogen 2.762 N/A ASN 418.A ND2 ASP 322.A OD2 no hydrogen 3.498 N/A ASP 420.A N LYS 417.A O no hydrogen 2.897 N/A LEU 421.A N ASN 418.A O no hydrogen 2.951 N/A TRP 422.A N ASN 418.A O no hydrogen 3.381 N/A TRP 422.A NE1 ASN 418.A OD1 no hydrogen 3.053 N/A ASP 423.A N GLU 419.A O no hydrogen 2.810 N/A SER 424.A N ASP 420.A O no hydrogen 3.085 N/A SER 424.A OG ASP 420.A O no hydrogen 3.072 N/A MET 425.A N LEU 421.A O no hydrogen 2.821 N/A ALA 426.A N TRP 422.A O no hydrogen 2.746 N/A SER 427.A N SER 424.A O no hydrogen 3.137 N/A SER 427.A OG SER 424.A O no hydrogen 3.539 N/A THR 433.A N ASP 430.A OD1 no hydrogen 2.948 N/A THR 433.A OG1 ASP 430.A OD1 no hydrogen 3.027 N/A THR 433.A OG1 ASP 430.A OD2 no hydrogen 2.562 N/A MET 434.A N ASP 430.A O no hydrogen 2.950 N/A MET 435.A N VAL 431.A O no hydrogen 2.807 N/A ASN 436.A N LYS 432.A O no hydrogen 3.093 N/A THR 437.A N MET 434.A O no hydrogen 2.829 N/A THR 437.A OG1 MET 434.A O no hydrogen 2.420 N/A TRP 438.A N MET 435.A O no hydrogen 2.974 N/A TRP 438.A NE1 HIS 471.A O no hydrogen 3.217 N/A THR 439.A N MET 435.A O no hydrogen 2.926 N/A THR 439.A OG1 MET 435.A O no hydrogen 3.166 N/A THR 439.A OG1 ASN 436.A O no hydrogen 3.472 N/A LEU 440.A N ASN 436.A O no hydrogen 2.872 N/A GLN 441.A NE2 THR 437.A O no hydrogen 3.315 N/A GLN 441.A NE2 LEU 469.A O no hydrogen 2.455 N/A GLY 443.A N ASP 362.A OD2 no hydrogen 2.905 N/A LEU 446.A N GLU 461.A O no hydrogen 2.665 N/A ILE 447.A N ILE 516.A O no hydrogen 2.785 N/A THR 448.A N LYS 459.A O no hydrogen 2.900 N/A THR 448.A OG1 GLU 461.A OE1 no hydrogen 3.402 N/A ILE 449.A N HIS 518.A O no hydrogen 2.769 N/A THR 450.A N HIS 457.A O no hydrogen 2.937 N/A ARG 452.A N ASN 455.A O no hydrogen 2.900 N/A ARG 452.A NH1 VAL 451.A O no hydrogen 3.221 N/A ARG 452.A NH1 ASP 521.A OD2 no hydrogen 2.904 N/A ARG 454.A NE LEU 498.A O no hydrogen 2.614 N/A ARG 454.A NH2 LEU 498.A O no hydrogen 3.451 N/A ASN 455.A N ARG 452.A O no hydrogen 2.946 N/A ASN 455.A ND2 ARG 452.A O no hydrogen 3.017 N/A VAL 456.A N LEU 496.A O no hydrogen 2.822 N/A HIS 457.A N THR 450.A O no hydrogen 2.758 N/A MET 458.A N ASP 494.A O no hydrogen 2.806 N/A LYS 459.A N THR 448.A O no hydrogen 2.971 N/A GLN 460.A N LYS 492.A O no hydrogen 2.808 N/A GLN 460.A NE2 TRP 470.A O no hydrogen 2.773 N/A GLN 460.A NE2 LEU 489.A O no hydrogen 3.489 N/A GLN 460.A NE2 THR 491.A O no hydrogen 3.252 N/A GLU 461.A N LEU 446.A O no hydrogen 3.140 N/A TYR 463.A N PHE 444.A O no hydrogen 3.189 N/A TYR 463.A OH GLN 552.A O no hydrogen 3.178 N/A TRP 470.A N GLN 460.A OE1 no hydrogen 3.034 N/A HIS 471.A N THR 437.A OG1 no hydrogen 3.270 N/A VAL 472.A N LEU 489.A O no hydrogen 3.111 N/A LEU 474.A N PHE 487.A O no hydrogen 2.945 N/A PHE 476.A N HIS 485.A O no hydrogen 2.998 N/A ILE 477.A N LYS 506.A O no hydrogen 2.905 N/A SER 479.A N TRP 504.A O no hydrogen 2.914 N/A SER 481.A N THR 478.A OG1 no hydrogen 3.221 N/A SER 481.A OG MET 483.A O no hydrogen 3.420 N/A SER 481.A OG HIS 485.A NE2 no hydrogen 3.142 N/A HIS 485.A N PHE 476.A O no hydrogen 3.012 N/A HIS 485.A NE2 SER 481.A OG no hydrogen 3.142 N/A ARG 486.A NE TYR 394.A O no hydrogen 2.455 N/A ARG 486.A NH2 GLU 393.A O no hydrogen 3.280 N/A PHE 487.A N LEU 474.A O no hydrogen 2.989 N/A LEU 489.A N VAL 472.A O no hydrogen 2.885 N/A THR 491.A OG1 THR 493.A O no hydrogen 2.854 N/A ASP 494.A N MET 458.A O no hydrogen 2.885 N/A VAL 495.A N ASP 494.A OD1 no hydrogen 2.922 N/A LEU 496.A N VAL 456.A O no hydrogen 2.859 N/A LEU 498.A N ARG 454.A O no hydrogen 2.902 N/A GLU 503.A N SER 479.A OG no hydrogen 3.006 N/A LYS 506.A N ILE 477.A O no hydrogen 2.656 N/A LYS 506.A NZ ASN 508.A O no hydrogen 3.379 N/A LYS 506.A NZ ASP 542.A OD1 no hydrogen 2.856 N/A PHE 507.A N TYR 519.A OH no hydrogen 3.055 N/A ASN 508.A N THR 475.A O no hydrogen 2.931 N/A ASN 508.A ND2 GLY 513.A O no hydrogen 3.043 N/A VAL 509.A N THR 475.A OG1 no hydrogen 3.267 N/A GLY 510.A N ASP 542.A OD1 no hydrogen 2.554 N/A MET 511.A N ASN 508.A O no hydrogen 3.212 N/A ASN 512.A N VAL 509.A O no hydrogen 3.273 N/A ASN 512.A ND2 VAL 509.A O no hydrogen 3.029 N/A GLY 513.A N ASN 508.A OD1 no hydrogen 2.725 N/A TYR 514.A OH ASP 362.A OD1 no hydrogen 2.894 N/A TYR 515.A N GLY 513.A O no hydrogen 2.827 N/A ILE 516.A N PRO 445.A O no hydrogen 3.428 N/A HIS 518.A N ILE 447.A O no hydrogen 2.661 N/A GLU 520.A N ILE 449.A O no hydrogen 3.083 N/A GLY 523.A N GLU 520.A O no hydrogen 3.323 N/A TRP 524.A NE1 HIS 518.A ND1 no hydrogen 3.103 N/A SER 526.A N ASP 522.A O no hydrogen 2.947 N/A SER 526.A OG ASP 522.A O no hydrogen 2.708 N/A SER 526.A OG GLY 523.A O no hydrogen 3.486 N/A LEU 527.A N GLY 523.A O no hydrogen 3.125 N/A THR 528.A N TRP 524.A O no hydrogen 2.566 N/A THR 528.A OG1 TRP 524.A O no hydrogen 2.770 N/A GLY 529.A N ASP 525.A O no hydrogen 2.722 N/A LEU 530.A N SER 526.A O no hydrogen 3.000 N/A LEU 531.A N LEU 527.A O no hydrogen 3.106 N/A LYS 532.A N THR 528.A O no hydrogen 2.984 N/A GLY 533.A N GLY 529.A O no hydrogen 2.924 N/A THR 534.A N LEU 530.A O no hydrogen 2.727 N/A ALA 537.A N THR 534.A O no hydrogen 3.344 N/A VAL 538.A N HIS 535.A O no hydrogen 3.383 N/A SER 539.A N ASP 542.A OD2 no hydrogen 2.984 N/A SER 539.A OG ASP 542.A OD2 no hydrogen 2.635 N/A ASP 542.A N SER 539.A OG no hydrogen 2.996 N/A ARG 543.A N SER 539.A O no hydrogen 2.973 N/A ARG 543.A NE HIS 535.A O no hydrogen 2.988 N/A ALA 544.A N SER 540.A O no hydrogen 2.887 N/A SER 545.A N ASN 541.A O no hydrogen 2.762 N/A LEU 546.A N ASP 542.A O no hydrogen 2.840 N/A ILE 547.A N ARG 543.A O no hydrogen 2.959 N/A ASN 548.A N ALA 544.A O no hydrogen 2.903 N/A ASN 549.A N SER 545.A O no hydrogen 2.987 N/A ALA 550.A N LEU 546.A O no hydrogen 2.817 N/A PHE 551.A N ILE 547.A O no hydrogen 3.096 N/A GLN 552.A N ASN 548.A O no hydrogen 2.821 N/A LEU 553.A N ASN 549.A O no hydrogen 2.813 N/A VAL 554.A N ALA 550.A O no hydrogen 3.170 N/A SER 555.A N PHE 551.A O no hydrogen 3.277 N/A ILE 556.A N GLN 552.A O no hydrogen 3.465 N/A GLY 557.A N VAL 554.A O no hydrogen 3.272 N/A LYS 558.A N LEU 553.A O no hydrogen 3.181 N/A LYS 563.A N SER 560.A O no hydrogen 2.662 N/A LYS 563.A NZ ASP 525.A OD1 no hydrogen 3.308 N/A LYS 563.A NZ ASP 525.A OD2 no hydrogen 2.624 N/A ALA 564.A N SER 560.A O no hydrogen 3.444 N/A LEU 565.A N ILE 561.A O no hydrogen 2.789 N/A ASP 566.A N GLU 562.A O no hydrogen 2.675 N/A LEU 567.A N LYS 563.A O no hydrogen 3.278 N/A SER 568.A N ALA 564.A O no hydrogen 2.866 N/A LEU 569.A N LEU 565.A O no hydrogen 3.181 N/A TYR 570.A N LEU 567.A O no hydrogen 2.791 N/A TYR 570.A OH GLU 574.A OE1 no hydrogen 2.931 N/A LEU 571.A N SER 568.A O no hydrogen 2.776 N/A HIS 573.A N TYR 570.A O no hydrogen 2.823 N/A GLU 574.A N LEU 571.A O no hydrogen 2.909 N/A THR 575.A OG1 GLU 576.A OE2 no hydrogen 2.887 N/A GLU 576.A N GLU 574.A OE2 no hydrogen 2.535 N/A PHE 581.A N ILE 577.A O no hydrogen 3.208 N/A GLN 582.A N MET 578.A O no hydrogen 3.236 N/A GLY 583.A N PRO 579.A O no hydrogen 2.707 N/A LEU 584.A N VAL 580.A O no hydrogen 2.728 N/A ASN 585.A N PHE 581.A O no hydrogen 2.820 N/A GLU 586.A N GLN 582.A O no hydrogen 3.227 N/A GLU 586.A N GLY 583.A O no hydrogen 3.358 N/A LEU 587.A N GLY 583.A O no hydrogen 2.830 N/A ILE 588.A N LEU 584.A O no hydrogen 2.860 N/A MET 590.A N LEU 587.A O no hydrogen 3.078 N/A LYS 592.A N ILE 588.A O no hydrogen 3.046 N/A LEU 593.A N PRO 589.A O no hydrogen 3.149 N/A MET 594.A N MET 590.A O no hydrogen 3.218 N/A GLU 595.A N TYR 591.A O no hydrogen 2.918 N/A ARG 597.A N LEU 593.A O no hydrogen 3.433 N/A PHE 606.A N VAL 602.A O no hydrogen 2.865 N/A LYS 607.A N GLU 603.A O no hydrogen 3.007 N/A ALA 608.A N THR 604.A O no hydrogen 2.873 N/A PHE 609.A N GLN 605.A O no hydrogen 2.915 N/A LEU 610.A N PHE 606.A O no hydrogen 2.766 N/A ILE 611.A N LYS 607.A O no hydrogen 2.835 N/A ARG 612.A N ALA 608.A O no hydrogen 2.732 N/A LEU 613.A N PHE 609.A O no hydrogen 2.695 N/A LEU 614.A N LEU 610.A O no hydrogen 3.172 N/A ILE 618.A N LEU 614.A O no hydrogen 2.870 N/A ASP 619.A N ARG 615.A O no hydrogen 3.150 N/A LYS 620.A N ASP 616.A O no hydrogen 3.372 N/A THR 624.A N THR 622.A O no hydrogen 3.056 N/A THR 624.A OG1 GLU 626.A O no hydrogen 2.789 N/A ARG 632.A N SER 628.A O no hydrogen 2.940 N/A LEU 634.A N SER 630.A O no hydrogen 3.107 N/A ARG 635.A N GLU 631.A O no hydrogen 3.058 N/A ARG 635.A NH1 THR 622.A O no hydrogen 3.460 N/A SER 636.A N ARG 632.A O no hydrogen 2.822 N/A GLN 637.A N MET 633.A O no hydrogen 3.050 N/A LEU 638.A N LEU 634.A O no hydrogen 2.750 N/A LEU 639.A N ARG 635.A O no hydrogen 2.858 N/A LEU 640.A N SER 636.A O no hydrogen 3.036 N/A LEU 641.A N GLN 637.A O no hydrogen 2.725 N/A ALA 642.A N LEU 638.A O no hydrogen 2.853 N/A CYS 643.A N LEU 639.A O no hydrogen 3.287 N/A CYS 643.A N LEU 640.A O no hydrogen 3.104 N/A CYS 643.A SG LEU 639.A O no hydrogen 3.541 N/A HIS 645.A N LEU 641.A O no hydrogen 3.423 N/A HIS 645.A NE2 TYR 591.A OH no hydrogen 3.012 N/A TYR 647.A N ALA 642.A O no hydrogen 2.900 N/A TYR 647.A OH ASP 619.A OD1 no hydrogen 2.856 N/A CYS 650.A N TYR 647.A O no hydrogen 3.168 N/A CYS 650.A SG LEU 639.A O no hydrogen 3.263 N/A VAL 651.A N TYR 647.A O no hydrogen 3.193 N/A ALA 654.A N CYS 650.A O no hydrogen 2.646 N/A TYR 657.A N ARG 653.A O no hydrogen 3.032 N/A PHE 658.A N GLU 655.A O no hydrogen 2.914 N/A ARG 659.A N GLU 655.A O no hydrogen 2.811 N/A LYS 660.A N GLY 656.A O no hydrogen 3.272 N/A TRP 661.A N TYR 657.A O no hydrogen 3.169 N/A GLU 663.A N ARG 659.A O no hydrogen 3.191 N/A ALA 669.A N GLN 665.A O no hydrogen 3.270 N/A LEU 670.A N ILE 666.A O no hydrogen 3.399 N/A CYS 671.A N PHE 668.A O no hydrogen 3.113 N/A CYS 671.A SG GLU 667.A O no hydrogen 3.311 N/A ARG 672.A N PHE 668.A O no hydrogen 2.954 N/A THR 673.A N CYS 671.A O no hydrogen 2.616 N/A ILE 680.A N ILE 676.A O no hydrogen 2.858 N/A GLY 681.A N GLU 677.A O no hydrogen 3.227 N/A TRP 682.A N GLU 678.A O no hydrogen 2.868 N/A MET 683.A N ASN 679.A O no hydrogen 2.897 N/A ASP 684.A N ILE 680.A O no hydrogen 3.036 N/A LYS 685.A N GLY 681.A O no hydrogen 2.840 N/A ASN 686.A N TRP 682.A O no hydrogen 2.647 N/A PHE 687.A N MET 683.A O no hydrogen 2.842 N/A ILE 690.A N ASN 686.A O no hydrogen 2.976 N/A ARG 691.A N PHE 687.A O no hydrogen 2.916 N/A VAL 692.A N ASP 688.A O no hydrogen 2.675 N/A TRP 693.A N LYS 689.A O no hydrogen 2.618 N/A TRP 693.A NE1 ASP 566.A OD1 no hydrogen 2.792 N/A LEU 694.A N ILE 690.A O no hydrogen 2.668 N/A GLN 695.A N ARG 691.A O no hydrogen 2.866 N/A SER 696.A N TRP 693.A O no hydrogen 2.856 N/A