Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d2o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASP 33.A OD2 no hydrogen 2.690 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.665 N/A ALA 5.A N LEU 2.A O no hydrogen 3.034 N/A ILE 6.A N LEU 3.A O no hydrogen 3.104 N/A PHE 7.A N ARG 28.A O no hydrogen 2.852 N/A LYS 11.A NZ GLU 9.A OE1 no hydrogen 3.514 N/A SER 13.A OG MET 403.A O no hydrogen 3.224 N/A SER 13.A OG LEU 404.A O no hydrogen 3.224 N/A TYR 14.A N LYS 11.A O no hydrogen 3.178 N/A TYR 16.A N ARG 24.A O no hydrogen 3.060 N/A TYR 16.A OH GLU 407.A OE1 no hydrogen 2.425 N/A ILE 18.A N GLN 22.A O no hydrogen 3.044 N/A THR 21.A N SER 19.A OG no hydrogen 3.195 N/A GLN 22.A NE2 SER 19.A OG no hydrogen 2.850 N/A LEU 23.A N LEU 73.A O no hydrogen 2.970 N/A ARG 24.A N TYR 16.A O no hydrogen 2.750 N/A ARG 24.A NE GLU 407.A OE1 no hydrogen 2.776 N/A ARG 24.A NH1 GLU 407.A OE2 no hydrogen 2.854 N/A VAL 25.A N ALA 71.A O no hydrogen 2.897 N/A ARG 26.A N TYR 14.A O no hydrogen 2.761 N/A ARG 26.A NE SER 13.A O no hydrogen 3.076 N/A ARG 26.A NH1 GLU 70.A OE2 no hydrogen 3.095 N/A ARG 26.A NH2 SER 13.A O no hydrogen 3.112 N/A ARG 26.A NH2 TYR 405.A O no hydrogen 2.827 N/A LEU 27.A N PHE 69.A O no hydrogen 2.802 N/A ARG 28.A N PHE 7.A O no hydrogen 3.122 N/A ARG 28.A NH1 TYR 14.A OH no hydrogen 3.334 N/A ALA 29.A N ASP 67.A O no hydrogen 3.171 N/A LYS 31.A N ARG 65.A O no hydrogen 2.763 N/A LYS 31.A NZ ASP 63.A O no hydrogen 2.622 N/A GLY 32.A N ASP 67.A OD1 no hydrogen 2.785 N/A ASP 33.A N LYS 30.A O no hydrogen 2.950 N/A VAL 35.A N THR 87.A O no hydrogen 2.928 N/A ARG 36.A N THR 87.A O no hydrogen 3.435 N/A GLU 38.A N LEU 85.A O no hydrogen 3.003 N/A VAL 39.A N ALA 55.A O no hydrogen 2.735 N/A LEU 40.A N VAL 83.A O no hydrogen 2.914 N/A TYR 41.A N ALA 53.A O no hydrogen 2.979 N/A ALA 42.A N LYS 81.A O no hydrogen 3.071 N/A ARG 44.A NE GLN 112.A OE1 no hydrogen 2.678 N/A ARG 44.A NH1 GLN 112.A OE1 no hydrogen 3.511 N/A ARG 44.A NH2 ALA 114.A O no hydrogen 3.009 N/A TYR 45.A N ASP 43.A OD2 no hydrogen 2.969 N/A ALA 46.A N ASP 43.A O no hydrogen 3.094 N/A SER 47.A N GLU 50.A OE1 no hydrogen 2.818 N/A GLU 49.A N SER 47.A OG no hydrogen 3.154 N/A GLU 50.A N SER 47.A O no hydrogen 2.958 N/A ALA 53.A N TYR 41.A O no hydrogen 2.633 N/A ALA 55.A N VAL 39.A O no hydrogen 2.974 N/A ALA 57.A N CYS 37.A O no hydrogen 2.885 N/A ALA 60.A N TYR 68.A O no hydrogen 2.721 N/A SER 62.A OG ASP 67.A OD2 no hydrogen 2.787 N/A ASP 63.A N PHE 66.A O no hydrogen 2.956 N/A ARG 65.A N ASP 63.A OD2 no hydrogen 3.052 N/A PHE 66.A N ASP 63.A OD2 no hydrogen 2.579 N/A ASP 67.A N ALA 29.A O no hydrogen 2.826 N/A TYR 68.A N GLY 61.A O no hydrogen 2.849 N/A TYR 68.A OH ASP 63.A OD1 no hydrogen 2.678 N/A PHE 69.A N LEU 27.A O no hydrogen 2.680 N/A GLU 70.A N GLY 58.A O no hydrogen 2.851 N/A ALA 71.A N VAL 25.A O no hydrogen 2.873 N/A LEU 73.A N LEU 23.A O no hydrogen 2.833 N/A GLU 74.A N TYR 41.A OH no hydrogen 3.032 N/A CYS 75.A N THR 21.A O no hydrogen 2.697 N/A CYS 75.A SG LEU 73.A O no hydrogen 3.460 N/A THR 77.A OG1 ASP 43.A OD1 no hydrogen 2.624 N/A THR 77.A OG1 ARG 79.A O no hydrogen 2.964 N/A LYS 78.A N CYS 75.A O no hydrogen 2.941 N/A LYS 78.A NZ TYR 115.A OH no hydrogen 2.579 N/A ARG 79.A N THR 77.A OG1 no hydrogen 3.415 N/A ARG 79.A NE ASP 43.A OD1 no hydrogen 2.946 N/A ARG 79.A NH2 ASP 43.A OD1 no hydrogen 3.199 N/A ARG 79.A NH2 ASP 43.A OD2 no hydrogen 3.029 N/A VAL 80.A N TYR 113.A O no hydrogen 3.251 N/A LYS 81.A N ALA 42.A O no hydrogen 2.988 N/A TYR 82.A N PHE 111.A O no hydrogen 2.857 N/A VAL 83.A N LEU 40.A O no hydrogen 2.964 N/A PHE 84.A N PHE 96.A O no hydrogen 2.878 N/A LEU 85.A N GLU 38.A O no hydrogen 2.792 N/A LEU 86.A N VAL 94.A O no hydrogen 2.940 N/A THR 87.A N ARG 36.A O no hydrogen 2.974 N/A GLY 88.A N GLU 92.A O no hydrogen 2.686 N/A GLY 91.A N GLY 88.A O no hydrogen 2.935 N/A VAL 94.A N LEU 86.A O no hydrogen 2.957 N/A TYR 95.A N SER 102.A O no hydrogen 2.771 N/A PHE 96.A N PHE 84.A O no hydrogen 2.826 N/A GLY 97.A N GLY 100.A O no hydrogen 2.985 N/A THR 99.A N ALA 108.A O no hydrogen 3.074 N/A GLY 100.A N ALA 108.A O no hydrogen 3.199 N/A SER 102.A N TYR 95.A O no hydrogen 3.018 N/A SER 102.A OG GLU 104.A O no hydrogen 3.178 N/A GLU 104.A N SER 102.A OG no hydrogen 2.888 N/A LYS 107.A N GLU 104.A O no hydrogen 3.139 N/A ALA 108.A N ARG 105.A O no hydrogen 2.932 N/A GLY 109.A N SER 106.A O no hydrogen 3.262 N/A PHE 111.A N TYR 82.A O no hydrogen 2.687 N/A TYR 113.A N VAL 80.A O no hydrogen 2.825 N/A ILE 116.A N LYS 78.A O no hydrogen 2.815 N/A ARG 118.A NH2 GLU 20.A OE1 no hydrogen 3.013 N/A GLU 120.A N HIS 117.A O no hydrogen 2.777 N/A VAL 121.A N ARG 118.A O no hydrogen 3.197 N/A THR 123.A OG1 VAL 121.A O no hydrogen 2.993 N/A TRP 127.A NE1 ASP 348.A O no hydrogen 2.761 N/A ALA 128.A N PRO 125.A O no hydrogen 3.155 N/A GLU 130.A N TRP 127.A O no hydrogen 3.246 N/A ALA 131.A N ALA 128.A O no hydrogen 3.497 N/A VAL 132.A N THR 188.A OG1 no hydrogen 2.886 N/A ILE 133.A N PRO 450.A O no hydrogen 2.982 N/A TYR 134.A N ALA 189.A O no hydrogen 2.913 N/A TYR 134.A OH GLU 457.A OE1 no hydrogen 3.386 N/A TYR 134.A OH GLU 457.A OE2 no hydrogen 2.578 N/A GLN 135.A N ILE 452.A O no hydrogen 2.675 N/A ILE 136.A N TYR 191.A O no hydrogen 2.703 N/A ARG 140.A N PHE 137.A O no hydrogen 2.900 N/A ARG 140.A NE GLU 139.A OE2 no hydrogen 2.783 N/A ARG 140.A NH1 ARG 469.A O no hydrogen 2.623 N/A PHE 141.A N PRO 138.A O no hydrogen 3.464 N/A ASN 143.A ND2 ASP 149.A OD1 no hydrogen 2.759 N/A ASN 143.A ND2 ASP 149.A OD2 no hydrogen 3.092 N/A ASN 143.A ND2 TYR 168.A O no hydrogen 3.637 N/A GLY 144.A N ASP 171.A OD1 no hydrogen 2.910 N/A ASP 145.A N ASP 171.A OD2 no hydrogen 2.920 N/A SER 147.A N ASP 145.A OD1 no hydrogen 2.933 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.564 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 3.456 N/A ASN 148.A N ASP 145.A O no hydrogen 3.446 N/A ASP 149.A N PRO 146.A O no hydrogen 3.473 N/A THR 153.A OG1 PRO 150.A O no hydrogen 2.802 N/A GLU 154.A N PHE 167.A O no hydrogen 2.784 N/A TRP 156.A NE1 MET 472.A O no hydrogen 2.733 N/A ALA 160.A N ALA 157.A O no hydrogen 2.962 N/A ARG 161.A NH2 LYS 158.A O no hydrogen 3.297 N/A ARG 161.A NH2 ALA 160.A O no hydrogen 3.140 N/A ARG 163.A N SER 166.A OG no hydrogen 2.825 N/A ARG 163.A NH1 ASP 165.A OD2 no hydrogen 3.417 N/A SER 166.A N ARG 163.A O no hydrogen 3.159 N/A SER 166.A OG GLU 154.A OE2 no hydrogen 2.684 N/A SER 166.A OG ARG 163.A O no hydrogen 3.499 N/A TYR 168.A N GLU 139.A OE1 no hydrogen 3.246 N/A TYR 168.A N GLU 139.A OE2 no hydrogen 2.869 N/A GLY 169.A N GLU 139.A OE1 no hydrogen 2.854 N/A GLY 170.A N GLU 139.A O no hydrogen 2.920 N/A ASP 171.A N ALA 142.A O no hydrogen 2.824 N/A LEU 172.A N PHE 216.A O no hydrogen 3.047 N/A GLY 174.A N ASP 171.A OD1 no hydrogen 2.745 N/A VAL 175.A N ASP 171.A O no hydrogen 3.343 N/A ILE 176.A N LEU 172.A O no hydrogen 3.067 N/A ASP 177.A N LYS 173.A O no hydrogen 2.942 N/A ARG 178.A N GLY 174.A O no hydrogen 2.911 N/A ARG 178.A N VAL 175.A O no hydrogen 3.021 N/A LEU 179.A N ILE 176.A O no hydrogen 3.312 N/A TYR 181.A OH GLU 457.A OE2 no hydrogen 2.636 N/A LEU 182.A N ARG 178.A O no hydrogen 3.025 N/A GLU 183.A N LEU 179.A O no hydrogen 2.775 N/A GLU 184.A N PRO 180.A O no hydrogen 2.879 N/A LEU 185.A N TYR 181.A O no hydrogen 2.982 N/A GLY 186.A N LEU 182.A O no hydrogen 3.193 N/A VAL 187.A N LEU 182.A O no hydrogen 3.307 N/A THR 188.A N VAL 132.A O no hydrogen 2.981 N/A THR 188.A OG1 VAL 132.A O no hydrogen 3.405 N/A LEU 190.A N LYS 235.A O no hydrogen 2.867 N/A TYR 191.A N TYR 134.A O no hydrogen 2.865 N/A TYR 191.A OH ASP 239.A OD2 no hydrogen 2.716 N/A PHE 192.A N ILE 237.A O no hydrogen 3.009 N/A THR 193.A N ILE 136.A O no hydrogen 3.181 N/A THR 193.A OG1 ILE 136.A O no hydrogen 3.569 N/A ALA 197.A N ALA 211.A O no hydrogen 2.921 N/A SER 198.A N ASP 213.A OD2 no hydrogen 2.805 N/A SER 198.A OG ASP 205.A O no hydrogen 2.718 N/A SER 198.A OG ASP 205.A OD1 no hydrogen 2.920 N/A SER 200.A OG ASP 205.A OD1 no hydrogen 2.714 N/A LYS 203.A N SER 200.A OG no hydrogen 2.688 N/A LYS 203.A NZ SER 198.A O no hydrogen 2.863 N/A LYS 203.A NZ SER 200.A O no hydrogen 2.902 N/A LYS 203.A NZ ASP 213.A OD2 no hydrogen 2.994 N/A LYS 203.A NZ GLN 215.A OE1 no hydrogen 2.873 N/A TYR 204.A N HIS 202.A ND1 no hydrogen 2.867 N/A TYR 204.A OH ASP 239.A OD2 no hydrogen 2.777 N/A TYR 204.A OH HIS 420.A NE2 no hydrogen 3.126 N/A ALA 207.A N ALA 197.A O no hydrogen 2.721 N/A ASP 208.A N ALA 197.A O no hydrogen 3.231 N/A TYR 209.A OH VAL 241.A O no hydrogen 2.881 N/A LEU 210.A N ASP 208.A OD1 no hydrogen 2.879 N/A ASP 213.A N ILE 195.A O no hydrogen 3.005 N/A GLN 215.A N ASP 213.A OD1 no hydrogen 2.840 N/A PHE 216.A N ASP 213.A O no hydrogen 2.784 N/A GLY 217.A N ASP 213.A O no hydrogen 2.942 N/A THR 221.A N ASP 218.A OD1 no hydrogen 2.825 N/A THR 221.A OG1 ASP 218.A OD1 no hydrogen 2.885 N/A PHE 222.A N ASP 218.A O no hydrogen 2.998 N/A ARG 223.A N LEU 219.A O no hydrogen 2.848 N/A ARG 223.A NH1 ASP 227.A OD1 no hydrogen 3.483 N/A ARG 223.A NH2 ASP 227.A OD1 no hydrogen 3.245 N/A ARG 224.A N PRO 220.A O no hydrogen 2.933 N/A LEU 225.A N THR 221.A O no hydrogen 2.951 N/A VAL 226.A N PHE 222.A O no hydrogen 2.882 N/A ASP 227.A N ARG 223.A O no hydrogen 2.968 N/A GLU 228.A N ARG 224.A O no hydrogen 2.789 N/A ALA 229.A N LEU 225.A O no hydrogen 2.886 N/A HIS 230.A N VAL 226.A O no hydrogen 2.909 N/A HIS 230.A NE2 ASP 320.A OD2 no hydrogen 2.755 N/A ARG 231.A N ASP 227.A O no hydrogen 3.058 N/A ARG 231.A NH1 GLU 228.A OE1 no hydrogen 2.828 N/A ARG 231.A NH1 GLU 228.A OE2 no hydrogen 3.462 N/A ARG 232.A N ALA 229.A O no hydrogen 2.881 N/A ARG 232.A NH2 GLU 228.A O no hydrogen 2.906 N/A ARG 232.A NH2 GLU 228.A OE1 no hydrogen 2.827 N/A GLY 233.A N HIS 230.A O no hydrogen 2.934 N/A ILE 234.A N ALA 229.A O no hydrogen 2.878 N/A LYS 235.A N THR 188.A O no hydrogen 2.851 N/A ILE 236.A N ASP 320.A OD2 no hydrogen 2.877 N/A ILE 237.A N LEU 190.A O no hydrogen 2.850 N/A LEU 238.A N GLY 321.A O no hydrogen 3.175 N/A ALA 240.A N ARG 323.A O no hydrogen 2.878 N/A ALA 245.A N PRO 294.A O no hydrogen 2.913 N/A GLY 246.A N THR 206.A O no hydrogen 2.939 N/A ASP 247.A N ALA 292.A O no hydrogen 2.974 N/A PHE 249.A N GLY 246.A O no hydrogen 2.983 N/A ARG 253.A N PHE 249.A O no hydrogen 2.891 N/A ASP 254.A N PHE 250.A O no hydrogen 2.962 N/A VAL 255.A N ALA 251.A O no hydrogen 3.091 N/A LEU 256.A N PHE 252.A O no hydrogen 2.799 N/A GLN 257.A N ARG 253.A O no hydrogen 2.941 N/A LYS 258.A N ASP 254.A O no hydrogen 2.732 N/A LYS 258.A NZ ASP 254.A OD1 no hydrogen 2.646 N/A GLY 259.A N VAL 255.A O no hydrogen 2.759 N/A GLN 261.A N LYS 258.A O no hydrogen 2.964 N/A SER 262.A N GLY 259.A O no hydrogen 2.716 N/A SER 262.A OG ASP 254.A OD2 no hydrogen 2.626 N/A TYR 264.A N SER 262.A OG no hydrogen 3.106 N/A LYS 265.A N SER 262.A O no hydrogen 3.385 N/A LYS 265.A NZ GLU 260.A O no hydrogen 3.065 N/A TRP 267.A N TYR 264.A O no hydrogen 2.981 N/A TRP 267.A NE1 GLU 302.A OE1 no hydrogen 3.115 N/A GLU 271.A N ASN 282.A O no hydrogen 2.970 N/A SER 276.A N ASN 282.A OD1 no hydrogen 2.589 N/A LYS 277.A N SER 276.A OG no hydrogen 2.442 N/A ASN 282.A ND2 ASP 272.A OD1 no hydrogen 2.604 N/A ASN 282.A ND2 PRO 274.A O no hydrogen 2.813 N/A TYR 283.A OH PRO 291.A O no hydrogen 2.624 N/A GLU 284.A N PHE 269.A O no hydrogen 2.972 N/A THR 285.A OG1 PHE 286.A O no hydrogen 2.878 N/A PHE 286.A N MET 293.A O no hydrogen 2.960 N/A VAL 290.A N THR 285.A OG1 no hydrogen 3.117 N/A MET 293.A N VAL 290.A O no hydrogen 2.830 N/A LYS 295.A N GLU 284.A O no hydrogen 2.933 N/A LYS 295.A NZ ASN 243.A OD1 no hydrogen 2.854 N/A LYS 295.A NZ GLU 329.A O no hydrogen 2.900 N/A LEU 296.A N ASN 243.A O no hydrogen 2.912 N/A ARG 297.A N TRP 267.A O no hydrogen 2.820 N/A ARG 297.A NE ASP 266.A O no hydrogen 3.081 N/A ARG 297.A NE PHE 268.A O no hydrogen 3.280 N/A ARG 297.A NH2 PHE 268.A O no hydrogen 3.005 N/A THR 298.A OG1 ASP 331.A OD1 no hydrogen 2.766 N/A ASN 300.A N ARG 297.A O no hydrogen 2.849 N/A ASN 300.A ND2 ASP 266.A O no hydrogen 3.142 N/A GLU 302.A N ASN 300.A OD1 no hydrogen 2.875 N/A LYS 304.A N ASN 300.A O no hydrogen 2.974 N/A LYS 304.A NZ GLU 337.A OE1 no hydrogen 2.606 N/A LYS 304.A NZ GLU 337.A OE2 no hydrogen 3.321 N/A GLU 305.A N PRO 301.A O no hydrogen 2.989 N/A TYR 306.A N GLU 302.A O no hydrogen 3.114 N/A LEU 307.A N VAL 303.A O no hydrogen 3.064 N/A PHE 308.A N LYS 304.A O no hydrogen 2.882 N/A ASP 309.A N GLU 305.A O no hydrogen 2.811 N/A VAL 310.A N TYR 306.A O no hydrogen 2.798 N/A ALA 311.A N LEU 307.A O no hydrogen 2.910 N/A ARG 312.A N PHE 308.A O no hydrogen 2.921 N/A ARG 312.A NH1 GLU 305.A OE2 no hydrogen 2.833 N/A PHE 313.A N ASP 309.A O no hydrogen 2.990 N/A TRP 314.A N VAL 310.A O no hydrogen 3.278 N/A TRP 314.A NE1 TYR 209.A O no hydrogen 2.766 N/A MET 315.A N ALA 311.A O no hydrogen 3.081 N/A GLU 316.A N ARG 312.A O no hydrogen 3.044 N/A GLU 316.A N PHE 313.A O no hydrogen 3.143 N/A GLN 317.A N TRP 314.A O no hydrogen 2.930 N/A GLY 318.A N MET 315.A O no hydrogen 3.104 N/A ASP 320.A N ILE 236.A O no hydrogen 2.721 N/A TRP 322.A N LEU 350.A O no hydrogen 2.732 N/A ARG 323.A N LEU 238.A O no hydrogen 2.855 N/A ARG 323.A NH2 ASP 239.A OD1 no hydrogen 2.889 N/A ARG 323.A NH2 ASN 325.A OD1 no hydrogen 3.470 N/A LEU 324.A N VAL 352.A O no hydrogen 2.679 N/A ASN 325.A N ALA 240.A O no hydrogen 3.048 N/A ASN 325.A ND2 HIS 244.A NE2 no hydrogen 3.302 N/A VAL 326.A N GLU 354.A OE2 no hydrogen 2.878 N/A ASN 328.A ND2 HIS 357.A NE2 no hydrogen 2.935 N/A GLU 329.A N VAL 326.A O no hydrogen 3.012 N/A VAL 330.A N ALA 327.A O no hydrogen 3.359 N/A PHE 334.A N ASP 331.A OD2 no hydrogen 3.108 N/A TRP 335.A N ASP 331.A O no hydrogen 3.288 N/A TRP 335.A NE1 ALA 327.A O no hydrogen 2.800 N/A ARG 336.A N HIS 332.A O no hydrogen 2.850 N/A ARG 336.A NE ASP 366.A OD2 no hydrogen 3.011 N/A GLU 337.A N ALA 333.A O no hydrogen 2.939 N/A PHE 338.A N PHE 334.A O no hydrogen 2.817 N/A ARG 339.A N TRP 335.A O no hydrogen 2.979 N/A ARG 339.A NH1 ASP 369.A OD1 no hydrogen 2.889 N/A ARG 339.A NH2 GLN 367.A O no hydrogen 2.971 N/A ARG 339.A NH2 ASP 369.A OD1 no hydrogen 2.987 N/A ARG 340.A N ARG 336.A O no hydrogen 3.304 N/A LEU 341.A N GLU 337.A O no hydrogen 2.919 N/A VAL 342.A N PHE 338.A O no hydrogen 2.796 N/A LYS 343.A N ARG 339.A O no hydrogen 2.811 N/A LYS 343.A NZ ALA 349.A O no hydrogen 2.890 N/A LYS 343.A NZ ASP 369.A OD1 no hydrogen 3.327 N/A LYS 343.A NZ ASP 369.A OD2 no hydrogen 2.791 N/A SER 344.A N ARG 340.A O no hydrogen 2.938 N/A SER 344.A OG ARG 340.A O no hydrogen 3.239 N/A SER 344.A OG LEU 341.A O no hydrogen 2.630 N/A LEU 345.A N LEU 341.A O no hydrogen 2.993 N/A ASN 346.A N VAL 342.A O no hydrogen 2.785 N/A ALA 349.A N ASN 346.A O no hydrogen 3.065 N/A LEU 350.A N ASP 320.A O no hydrogen 2.875 N/A ILE 351.A N ASP 369.A OD2 no hydrogen 2.930 N/A VAL 352.A N TRP 322.A O no hydrogen 2.791 N/A GLY 353.A N SER 370.A O no hydrogen 2.910 N/A GLU 354.A N LEU 324.A O no hydrogen 2.824 N/A TRP 356.A NE1 GLU 354.A OE1 no hydrogen 2.862 N/A HIS 357.A ND1 ASP 358.A O no hydrogen 3.003 N/A ALA 359.A N TYR 405.A OH no hydrogen 3.126 N/A SER 360.A N ASP 358.A OD2 no hydrogen 2.887 N/A SER 360.A OG ASP 358.A OD2 no hydrogen 2.819 N/A TRP 362.A N ALA 359.A O no hydrogen 2.927 N/A LEU 363.A N SER 360.A O no hydrogen 3.057 N/A GLN 367.A NE2 GLY 361.A O no hydrogen 3.614 N/A GLN 367.A NE2 ASP 366.A OD1 no hydrogen 3.110 N/A PHE 368.A N TRP 362.A O no hydrogen 3.204 N/A ASP 369.A N ILE 351.A O no hydrogen 2.782 N/A SER 370.A N ILE 351.A O no hydrogen 3.227 N/A SER 370.A OG VAL 371.A O no hydrogen 3.364 N/A SER 370.A OG GLY 412.A O no hydrogen 2.794 N/A MET 372.A N GLY 353.A O no hydrogen 3.070 N/A ASN 373.A N TRP 414.A O no hydrogen 2.818 N/A ASN 373.A ND2 ASN 415.A OD1 no hydrogen 3.036 N/A TYR 374.A N MET 372.A O no hydrogen 2.937 N/A TYR 374.A OH SER 419.A OG no hydrogen 2.836 N/A PHE 376.A N ASN 373.A OD1 no hydrogen 3.278 N/A ARG 377.A N ASN 373.A O no hydrogen 3.346 N/A ARG 377.A NE LEU 417.A O no hydrogen 2.705 N/A GLU 378.A N TYR 374.A O no hydrogen 3.062 N/A SER 379.A N LEU 375.A O no hydrogen 3.249 N/A SER 379.A OG LEU 375.A O no hydrogen 3.540 N/A SER 379.A OG GLU 397.A OE1 no hydrogen 2.728 N/A VAL 380.A N PHE 376.A O no hydrogen 2.964 N/A ILE 381.A N ARG 377.A O no hydrogen 2.729 N/A ARG 382.A N GLU 378.A O no hydrogen 2.977 N/A ARG 382.A NE GLU 397.A OE1 no hydrogen 3.286 N/A ARG 382.A NE GLU 397.A OE2 no hydrogen 3.297 N/A ARG 382.A NH1 GLU 397.A OE1 no hydrogen 2.713 N/A ARG 382.A NH2 GLU 378.A OE1 no hydrogen 2.723 N/A PHE 383.A N SER 379.A O no hydrogen 2.994 N/A PHE 384.A N VAL 380.A O no hydrogen 2.980 N/A ALA 385.A N ILE 381.A O no hydrogen 2.948 N/A THR 386.A N ILE 381.A O no hydrogen 2.943 N/A THR 386.A OG1 ILE 381.A O no hydrogen 3.524 N/A THR 386.A OG1 ARG 382.A O no hydrogen 3.445 N/A GLU 388.A N THR 386.A OG1 no hydrogen 3.340 N/A ILE 389.A N ARG 382.A O no hydrogen 3.325 N/A ARG 393.A NH2 GLU 64.A OE2 no hydrogen 3.445 N/A PHE 394.A N HIS 390.A O no hydrogen 3.025 N/A ASP 395.A N ALA 391.A O no hydrogen 3.022 N/A ALA 396.A N GLU 392.A O no hydrogen 3.078 N/A GLU 397.A N ARG 393.A O no hydrogen 2.787 N/A LEU 398.A N PHE 394.A O no hydrogen 2.994 N/A THR 399.A N ASP 395.A O no hydrogen 3.006 N/A THR 399.A OG1 SER 62.A O no hydrogen 3.510 N/A THR 399.A OG1 ASP 395.A O no hydrogen 2.819 N/A ARG 400.A N ALA 396.A O no hydrogen 2.889 N/A ALA 401.A N GLU 397.A O no hydrogen 2.934 N/A ARG 402.A N LEU 398.A O no hydrogen 2.858 N/A ARG 402.A NH1 ALA 60.A O no hydrogen 3.498 N/A ARG 402.A NH2 ALA 60.A O no hydrogen 3.095 N/A MET 403.A N THR 399.A O no hydrogen 3.080 N/A LEU 404.A N ALA 401.A O no hydrogen 3.060 N/A GLU 407.A N TYR 16.A OH no hydrogen 2.991 N/A ALA 409.A N PRO 406.A O no hydrogen 3.119 N/A ALA 410.A N PRO 406.A O no hydrogen 3.230 N/A GLN 411.A N GLU 407.A O no hydrogen 3.042 N/A GLN 411.A NE2 THR 501.A O no hydrogen 3.200 N/A GLN 411.A NE2 GLY 503.A O no hydrogen 3.051 N/A GLY 412.A N ALA 409.A O no hydrogen 3.051 N/A LEU 413.A N ALA 410.A O no hydrogen 3.352 N/A TRP 414.A N VAL 371.A O no hydrogen 3.105 N/A ASN 415.A N THR 449.A O no hydrogen 2.677 N/A ASN 415.A ND2 LEU 447.A O no hydrogen 2.962 N/A SER 419.A N THR 422.A OG1 no hydrogen 3.002 N/A SER 419.A OG TYR 374.A OH no hydrogen 2.836 N/A ASP 421.A N SER 419.A OG no hydrogen 3.120 N/A THR 422.A N SER 419.A O no hydrogen 3.169 N/A THR 422.A OG1 SER 419.A O no hydrogen 3.466 N/A THR 422.A OG1 GLU 423.A O no hydrogen 2.946 N/A ARG 424.A N GLY 462.A O no hydrogen 2.863 N/A ARG 424.A NE CYS 468.A O no hydrogen 3.223 N/A ARG 424.A NH1 TYR 454.A O no hydrogen 2.631 N/A ARG 424.A NH1 ASP 456.A OD1 no hydrogen 2.994 N/A ARG 424.A NH2 TYR 454.A O no hydrogen 3.150 N/A ARG 424.A NH2 CYS 468.A O no hydrogen 3.099 N/A PHE 425.A N ASP 418.A OD2 no hydrogen 2.873 N/A THR 427.A OG1 GLY 462.A O no hydrogen 3.168 N/A SER 428.A N ARG 424.A O no hydrogen 3.087 N/A SER 428.A OG GLU 423.A OE2 no hydrogen 2.606 N/A SER 428.A OG ARG 424.A O no hydrogen 3.439 N/A CYS 429.A N PHE 425.A O no hydrogen 2.993 N/A CYS 429.A SG PHE 425.A O no hydrogen 3.470 N/A GLY 430.A N THR 427.A O no hydrogen 2.938 N/A GLY 431.A N LEU 426.A O no hydrogen 2.894 N/A ASN 432.A N CYS 429.A O no hydrogen 3.002 N/A LYS 435.A N ASN 432.A OD1 no hydrogen 3.034 N/A PHE 436.A N ASN 432.A O no hydrogen 3.142 N/A ARG 437.A N GLU 433.A O no hydrogen 2.860 N/A ARG 437.A NE GLU 433.A OE2 no hydrogen 2.840 N/A ARG 437.A NH2 GLU 433.A OE2 no hydrogen 2.793 N/A LEU 438.A N ALA 434.A O no hydrogen 3.284 N/A ALA 439.A N LYS 435.A O no hydrogen 3.157 N/A VAL 440.A N PHE 436.A O no hydrogen 2.994 N/A LEU 441.A N ARG 437.A O no hydrogen 2.786 N/A PHE 442.A N LEU 438.A O no hydrogen 2.918 N/A GLN 443.A N ALA 439.A O no hydrogen 2.772 N/A MET 444.A N VAL 440.A O no hydrogen 2.905 N/A THR 445.A N PHE 442.A O no hydrogen 3.036 N/A THR 445.A OG1 LEU 441.A O no hydrogen 2.976 N/A THR 445.A OG1 PHE 442.A O no hydrogen 3.247 N/A TYR 446.A N PHE 442.A O no hydrogen 2.904 N/A THR 449.A N LEU 413.A O no hydrogen 2.616 N/A THR 449.A OG1 ALA 128.A O no hydrogen 3.207 N/A LEU 451.A N ASN 415.A O no hydrogen 3.043 N/A ILE 452.A N ILE 133.A O no hydrogen 2.810 N/A TYR 453.A OH CYS 468.A O no hydrogen 2.894 N/A TYR 454.A N GLN 135.A O no hydrogen 3.197 N/A TYR 454.A OH ARG 470.A O no hydrogen 2.742 N/A GLY 455.A N TYR 134.A OH no hydrogen 3.392 N/A ASP 456.A N TYR 453.A O no hydrogen 2.992 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.635 N/A ILE 458.A N GLY 455.A O no hydrogen 3.013 N/A GLY 459.A N ASP 456.A O no hydrogen 3.243 N/A MET 460.A N GLY 455.A O no hydrogen 3.098 N/A GLY 462.A N THR 427.A OG1 no hydrogen 2.847 N/A ALA 463.A N ASP 467.A OD1 no hydrogen 2.822 N/A ASP 467.A N THR 464.A O no hydrogen 2.948 N/A CYS 468.A SG SER 419.A O no hydrogen 3.827 N/A CYS 468.A SG HIS 420.A O no hydrogen 3.150 N/A ARG 469.A N PRO 466.A O no hydrogen 3.071 N/A ARG 469.A NE HIS 420.A O no hydrogen 2.867 N/A ARG 469.A NH1 HIS 201.A NE2 no hydrogen 3.272 N/A ARG 469.A NH2 HIS 420.A O no hydrogen 2.960 N/A ARG 470.A NE ASP 467.A OD2 no hydrogen 2.915 N/A ARG 470.A NH1 ASP 467.A OD1 no hydrogen 2.886 N/A ARG 470.A NH1 ASP 467.A OD2 no hydrogen 3.425 N/A MET 472.A N ARG 140.A O no hydrogen 2.836 N/A TRP 474.A NE1 PHE 141.A O no hydrogen 2.854 N/A LYS 477.A NZ GLU 476.A OE2 no hydrogen 3.121 N/A GLU 478.A N GLU 475.A O no hydrogen 2.700 N/A GLN 479.A N GLU 476.A O no hydrogen 3.027 N/A GLN 479.A NE2 ILE 473.A O no hydrogen 2.770 N/A ASN 480.A N ILE 458.A O no hydrogen 2.949 N/A ASN 480.A ND2 GLU 433.A OE1 no hydrogen 3.220 N/A ASN 480.A ND2 GLU 433.A OE2 no hydrogen 3.267 N/A ARG 481.A NH2 GLN 479.A OE1 no hydrogen 2.738 N/A LEU 483.A N ASN 480.A OD1 no hydrogen 2.952 N/A PHE 484.A N ASN 480.A O no hydrogen 3.159 N/A GLU 485.A N ARG 481.A O no hydrogen 2.980 N/A PHE 486.A N GLY 482.A O no hydrogen 3.056 N/A TYR 487.A N LEU 483.A O no hydrogen 2.813 N/A LYS 488.A N PHE 484.A O no hydrogen 3.007 N/A LYS 488.A NZ GLU 184.A OE2 no hydrogen 2.922 N/A LYS 488.A NZ GLU 485.A OE1 no hydrogen 3.033 N/A GLU 489.A N GLU 485.A O no hydrogen 3.074 N/A LEU 490.A N PHE 486.A O no hydrogen 3.072 N/A ILE 491.A N TYR 487.A O no hydrogen 2.878 N/A ARG 492.A N LYS 488.A O no hydrogen 2.904 N/A LEU 493.A N GLU 489.A O no hydrogen 2.897 N/A ARG 494.A N LEU 490.A O no hydrogen 2.911 N/A ARG 494.A NH1 MET 444.A O no hydrogen 2.619 N/A ARG 494.A NH1 TYR 446.A O no hydrogen 3.436 N/A ARG 494.A NH2 TYR 446.A O no hydrogen 3.411 N/A HIS 495.A N ILE 491.A O no hydrogen 3.092 N/A HIS 495.A NE2 GLY 186.A O no hydrogen 3.291 N/A ARG 496.A N ARG 492.A O no hydrogen 2.916 N/A ARG 496.A N LEU 493.A O no hydrogen 2.968 N/A LEU 497.A N LEU 493.A O no hydrogen 2.883 N/A SER 499.A N GLN 526.A OE1 no hydrogen 2.910 N/A SER 499.A OG GLN 526.A OE1 no hydrogen 2.857 N/A LEU 500.A N LEU 497.A O no hydrogen 2.892 N/A THR 501.A N ALA 498.A O no hydrogen 3.162 N/A THR 501.A OG1 ALA 498.A O no hydrogen 3.200 N/A ARG 502.A N ALA 498.A O no hydrogen 2.783 N/A GLY 503.A N SER 499.A O no hydrogen 2.933 N/A ASN 504.A N THR 522.A O no hydrogen 2.930 N/A ARG 506.A N VAL 520.A O no hydrogen 3.079 N/A ARG 506.A NH2 VAL 505.A O no hydrogen 2.844 N/A SER 507.A OG ASP 395.A OD1 no hydrogen 2.518 N/A SER 507.A OG ASP 395.A OD2 no hydrogen 3.234 N/A TRP 508.A N ALA 518.A O no hydrogen 2.834 N/A TRP 508.A NE1 GLN 544.A O no hydrogen 2.859 N/A HIS 509.A N ALA 518.A O no hydrogen 2.985 N/A ASP 511.A N LEU 516.A O no hydrogen 2.998 N/A LYS 512.A N GLU 392.A OE1 no hydrogen 3.174 N/A LEU 516.A N ASP 511.A O no hydrogen 3.166 N/A TYR 517.A N LEU 532.A O no hydrogen 3.049 N/A TYR 517.A OH ASP 395.A OD1 no hydrogen 3.101 N/A ALA 518.A N HIS 509.A O no hydrogen 2.639 N/A PHE 519.A N VAL 530.A O no hydrogen 3.026 N/A VAL 520.A N ARG 506.A O no hydrogen 2.889 N/A ARG 521.A N VAL 528.A O no hydrogen 2.862 N/A ARG 521.A NE ASN 504.A O no hydrogen 2.877 N/A ARG 521.A NH1 LEU 500.A O no hydrogen 3.336 N/A ARG 521.A NH1 GLY 503.A O no hydrogen 2.823 N/A ARG 521.A NH2 THR 445.A O no hydrogen 2.845 N/A ARG 521.A NH2 LEU 500.A O no hydrogen 2.937 N/A THR 522.A N ASN 504.A O no hydrogen 3.311 N/A VAL 523.A N GLN 526.A O no hydrogen 3.083 N/A GLN 526.A N VAL 523.A O no hydrogen 2.904 N/A GLN 526.A NE2 ARG 585.A O no hydrogen 2.763 N/A HIS 527.A N ASN 583.A OD1 no hydrogen 2.978 N/A HIS 527.A ND1 ASP 525.A O no hydrogen 3.275 N/A VAL 528.A N ARG 521.A O no hydrogen 2.905 N/A GLY 529.A N LEU 581.A O no hydrogen 2.798 N/A VAL 530.A N PHE 519.A O no hydrogen 2.760 N/A VAL 531.A N MET 579.A O no hydrogen 3.054 N/A LEU 532.A N TYR 517.A O no hydrogen 2.749 N/A ASN 533.A N GLN 577.A O no hydrogen 2.861 N/A ASN 533.A ND2 GLU 537.A O no hydrogen 3.220 N/A ASN 533.A ND2 ARG 574.A O no hydrogen 2.694 N/A ASN 534.A ND2 PHE 383.A O no hydrogen 3.066 N/A ARG 535.A N ASN 533.A O no hydrogen 2.917 N/A GLN 539.A N LEU 573.A O no hydrogen 2.729 N/A VAL 541.A N LEU 571.A O no hydrogen 2.517 N/A LEU 543.A N LEU 569.A O no hydrogen 2.931 N/A VAL 545.A N GLY 567.A O no hydrogen 3.020 N/A SER 548.A OG GLU 547.A O no hydrogen 2.611 N/A GLY 549.A N PRO 546.A O no hydrogen 2.841 N/A TRP 553.A N VAL 562.A O no hydrogen 2.780 N/A TRP 553.A NE1 GLY 550.A O no hydrogen 2.971 N/A LEU 554.A N TRP 582.A O no hydrogen 2.970 N/A ASP 555.A N GLU 560.A O no hydrogen 2.843 N/A CYS 556.A N ILE 580.A O no hydrogen 2.901 N/A CYS 556.A SG LEU 554.A O no hydrogen 3.972 N/A CYS 556.A SG ILE 580.A O no hydrogen 3.823 N/A LEU 557.A N ASP 555.A OD2 no hydrogen 3.183 N/A THR 558.A N ASP 555.A O no hydrogen 3.097 N/A GLY 559.A N ASP 555.A O no hydrogen 2.734 N/A GLU 560.A N THR 558.A OG1 no hydrogen 3.147 N/A VAL 562.A N TRP 553.A O no hydrogen 2.812 N/A LEU 569.A N LEU 543.A O no hydrogen 2.726 N/A LEU 571.A N VAL 541.A O no hydrogen 2.727 N/A LEU 573.A N GLN 539.A O no hydrogen 2.539 N/A ARG 574.A N GLN 577.A OE1 no hydrogen 2.788 N/A TYR 576.A N ARG 535.A O no hydrogen 2.991 N/A GLN 577.A N ARG 574.A O no hydrogen 3.054 N/A MET 579.A N VAL 531.A O no hydrogen 2.822 N/A ILE 580.A N ASP 555.A OD2 no hydrogen 3.094 N/A LEU 581.A N GLY 529.A O no hydrogen 2.896 N/A TRP 582.A N LEU 554.A O no hydrogen 2.798 N/A TRP 582.A NE1 ARG 585.A O no hydrogen 2.687 N/A ASN 583.A N HIS 527.A O no hydrogen 2.933 N/A ASN 583.A ND2 ASP 525.A O no hydrogen 3.012 N/A ASN 583.A ND2 GLY 549.A O no hydrogen 2.685 N/A ARG 585.A N ASN 583.A OD1 no hydrogen 3.007 N/A