Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 2.A OG no hydrogen 2.979 N/A ARG 5.A N SER 2.A O no hydrogen 3.204 N/A ARG 5.A NH1 SER 2.A O no hydrogen 2.826 N/A ARG 5.A NH2 GLU 48.A OE1 no hydrogen 2.489 N/A SER 8.A N GLU 11.A OE1 no hydrogen 3.016 N/A GLU 11.A N SER 8.A OG no hydrogen 3.220 N/A ILE 12.A N SER 8.A O no hydrogen 3.201 N/A SER 13.A N ALA 9.A O no hydrogen 2.944 N/A SER 13.A OG ALA 9.A O no hydrogen 3.260 N/A SER 13.A OG GLY 10.A O no hydrogen 2.971 N/A GLU 14.A N GLY 10.A O no hydrogen 2.844 N/A VAL 15.A N GLU 11.A O no hydrogen 2.839 N/A GLN 16.A N ILE 12.A O no hydrogen 2.930 N/A GLN 16.A NE2 PHE 324.A O no hydrogen 2.869 N/A GLN 16.A NE2 ASN 326.A OD1 no hydrogen 3.071 N/A GLY 17.A N SER 13.A O no hydrogen 3.050 N/A ILE 18.A N GLU 14.A O no hydrogen 2.950 N/A LEU 19.A N VAL 15.A O no hydrogen 2.966 N/A ARG 20.A N GLN 16.A O no hydrogen 3.002 N/A THR 21.A N GLY 17.A O no hydrogen 2.945 N/A THR 21.A OG1 GLY 17.A O no hydrogen 2.959 N/A ALA 22.A N ILE 18.A O no hydrogen 3.128 N/A GLY 23.A N ARG 20.A O no hydrogen 2.964 N/A LEU 24.A N LEU 19.A O no hydrogen 2.851 N/A LYS 29.A N GLY 26.A O no hydrogen 3.063 N/A LYS 29.A NZ ASP 58.A OD2 no hydrogen 2.609 N/A ARG 30.A N HIS 57.A O no hydrogen 2.773 N/A ARG 30.A NE GLU 95.A OE1 no hydrogen 3.407 N/A ARG 30.A NE GLU 95.A OE2 no hydrogen 2.779 N/A ARG 30.A NH1 PRO 27.A O no hydrogen 2.935 N/A ARG 30.A NH1 LYS 29.A O no hydrogen 2.852 N/A ILE 31.A N ALA 323.A O no hydrogen 2.771 N/A ALA 32.A N PHE 55.A O no hydrogen 2.813 N/A TYR 33.A OH ASP 242.A OD1 no hydrogen 2.567 N/A GLY 35.A N ARG 53.A O no hydrogen 2.977 N/A LEU 37.A N ARG 51.A O no hydrogen 2.747 N/A ARG 41.A NE ASP 572.A OD2 no hydrogen 2.737 N/A ARG 41.A NH1 ASP 431.A OD2 no hydrogen 3.566 N/A ARG 41.A NH2 ASP 431.A OD1 no hydrogen 3.165 N/A ARG 41.A NH2 ASP 431.A OD2 no hydrogen 2.940 N/A ARG 41.A NH2 ASP 572.A OD1 no hydrogen 3.027 N/A ARG 41.A NH2 ASP 572.A OD2 no hydrogen 3.079 N/A ALA 43.A N ALA 40.A O no hydrogen 3.375 N/A SER 45.A OG GLY 42.A O no hydrogen 3.414 N/A ARG 50.A N THR 72.A OG1 no hydrogen 2.723 N/A ARG 50.A NE GLU 11.A OE2 no hydrogen 2.761 N/A ARG 50.A NH1 PRO 3.A O no hydrogen 3.127 N/A ARG 50.A NH1 ARG 5.A O no hydrogen 2.911 N/A ARG 50.A NH2 ARG 5.A O no hydrogen 3.067 N/A ARG 50.A NH2 GLU 11.A OE1 no hydrogen 2.821 N/A ARG 50.A NH2 GLU 11.A OE2 no hydrogen 3.469 N/A ARG 51.A NE ASP 49.A OD2 no hydrogen 2.787 N/A ARG 51.A NH2 ASP 49.A OD2 no hydrogen 3.143 N/A PHE 52.A N VAL 69.A O no hydrogen 2.892 N/A ARG 53.A N GLY 35.A O no hydrogen 2.734 N/A ARG 53.A NE GLU 66.A OE2 no hydrogen 2.832 N/A ARG 53.A NH2 GLU 66.A OE2 no hydrogen 2.805 N/A ARG 53.A NH2 ASP 547.A OD2 no hydrogen 2.777 N/A VAL 54.A N VAL 67.A O no hydrogen 2.786 N/A PHE 55.A N TYR 33.A O no hydrogen 2.858 N/A ILE 56.A N GLN 65.A O no hydrogen 2.778 N/A HIS 57.A N ARG 30.A O no hydrogen 2.681 N/A VAL 59.A N GLU 28.A O no hydrogen 2.778 N/A SER 60.A N ASP 58.A OD1 no hydrogen 2.733 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.651 N/A ALA 62.A N ASP 58.A OD1 no hydrogen 3.181 N/A ARG 63.A NH2 GLU 81.A OE1 no hydrogen 3.277 N/A GLN 65.A N ILE 56.A O no hydrogen 2.929 N/A GLU 66.A N VAL 80.A O no hydrogen 2.937 N/A VAL 67.A N VAL 54.A O no hydrogen 2.819 N/A THR 68.A N SER 78.A O no hydrogen 2.818 N/A VAL 69.A N PHE 52.A O no hydrogen 2.963 N/A SER 70.A N THR 75.A O no hydrogen 2.835 N/A SER 70.A OG ASP 49.A OD1 no hydrogen 2.569 N/A VAL 71.A N ARG 50.A O no hydrogen 3.108 N/A ASN 73.A N SER 70.A OG no hydrogen 3.091 N/A THR 75.A N SER 70.A O no hydrogen 3.135 N/A ILE 77.A N THR 68.A O no hydrogen 2.692 N/A SER 78.A N THR 68.A O no hydrogen 3.269 N/A VAL 80.A N GLU 66.A O no hydrogen 2.910 N/A LEU 82.A N PRO 64.A O no hydrogen 2.934 N/A THR 84.A OG1 GLU 89.A OE2 no hydrogen 2.584 N/A ALA 86.A N ASP 83.A O no hydrogen 2.950 N/A ALA 86.A N ASP 83.A OD1 no hydrogen 3.272 N/A THR 87.A N ASP 83.A O no hydrogen 2.947 N/A THR 87.A OG1 ASP 83.A O no hydrogen 3.174 N/A GLY 88.A N THR 84.A O no hydrogen 2.917 N/A GLU 89.A N ASN 550.A O no hydrogen 2.874 N/A VAL 92.A N GLU 293.A O no hydrogen 2.784 N/A LEU 93.A N GLU 96.A OE2 no hydrogen 2.917 N/A GLU 96.A N LEU 93.A O no hydrogen 2.856 N/A PHE 97.A N GLU 94.A O no hydrogen 2.954 N/A VAL 99.A N GLU 96.A O no hydrogen 3.030 N/A GLN 102.A N GLU 98.A O no hydrogen 3.181 N/A LEU 103.A N VAL 99.A O no hydrogen 2.955 N/A LEU 104.A N VAL 100.A O no hydrogen 3.070 N/A ALA 105.A N GLU 101.A O no hydrogen 3.038 N/A THR 106.A OG1 LEU 103.A O no hydrogen 3.525 N/A ASP 107.A N LEU 104.A O no hydrogen 2.990 N/A ARG 109.A NE ASP 107.A OD2 no hydrogen 3.209 N/A ARG 109.A NH2 ASP 107.A OD1 no hydrogen 2.755 N/A ARG 109.A NH2 VAL 178.A O no hydrogen 2.794 N/A TRP 110.A N ASP 107.A OD2 no hydrogen 3.089 N/A LEU 111.A N ASP 107.A O no hydrogen 2.944 N/A LYS 112.A N GLU 108.A O no hydrogen 2.909 N/A ALA 113.A N ARG 109.A O no hydrogen 3.035 N/A LEU 114.A N TRP 110.A O no hydrogen 2.965 N/A ALA 115.A N LEU 111.A O no hydrogen 2.831 N/A ALA 116.A N LYS 112.A O no hydrogen 3.032 N/A ARG 117.A N LEU 114.A O no hydrogen 3.007 N/A ARG 117.A NH1 ALA 113.A O no hydrogen 2.975 N/A ARG 117.A NH1 ASP 183.A OD2 no hydrogen 2.910 N/A ARG 117.A NH2 ASP 165.A O no hydrogen 3.532 N/A ARG 117.A NH2 ASP 183.A OD1 no hydrogen 2.931 N/A ASN 118.A N ALA 115.A O no hydrogen 3.025 N/A LEU 119.A N LEU 114.A O no hydrogen 2.996 N/A SER 122.A N ASP 120.A OD1 no hydrogen 2.949 N/A SER 122.A OG ASP 120.A OD1 no hydrogen 2.917 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 3.005 N/A LYS 123.A N ASP 120.A O no hydrogen 2.802 N/A LYS 123.A NZ ASP 153.A O no hydrogen 2.790 N/A VAL 124.A N VAL 121.A O no hydrogen 3.213 N/A ARG 125.A N PHE 150.A O no hydrogen 2.849 N/A ARG 125.A NE GLU 101.A OE1 no hydrogen 3.109 N/A ARG 125.A NE GLU 101.A OE2 no hydrogen 3.094 N/A ARG 125.A NH1 GLN 152.A OE1 no hydrogen 2.985 N/A ARG 125.A NH2 GLU 101.A OE1 no hydrogen 2.817 N/A ARG 125.A NH2 SER 122.A O no hydrogen 2.883 N/A VAL 126.A N GLU 101.A OE2 no hydrogen 3.306 N/A ALA 127.A N LEU 148.A O no hydrogen 2.979 N/A LEU 129.A N ARG 146.A O no hydrogen 2.940 N/A SER 130.A N TYR 294.A OH no hydrogen 2.936 N/A SER 130.A OG ASN 287.A O no hydrogen 3.459 N/A SER 130.A OG GLU 293.A OE1 no hydrogen 2.727 N/A GLU 135.A N.B GLU 135.A OE1.B no hydrogen 2.871 N/A TYR 136.A OH TYR 170.A OH no hydrogen 2.807 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.904 N/A GLU 139.A N TYR 136.A O no hydrogen 2.938 N/A ARG 140.A N ALA 137.A O no hydrogen 3.214 N/A ARG 140.A NH1 ALA 85.A O no hydrogen 3.024 N/A ARG 140.A NH2 ALA 85.A O no hydrogen 3.371 N/A ARG 142.A N GLU 139.A O no hydrogen 2.950 N/A ARG 142.A NE ASP 172.A OD2 no hydrogen 2.429 N/A ARG 142.A NH2 ASP 172.A OD2 no hydrogen 2.613 N/A ARG 142.A NH2 GLU 177.A OE1 no hydrogen 2.450 N/A ARG 143.A NE GLU 96.A OE1 no hydrogen 2.808 N/A ARG 143.A NH1 LEU 90.A O no hydrogen 2.798 N/A ARG 143.A NH2 PRO 91.A O no hydrogen 2.821 N/A ARG 143.A NH2 GLU 96.A OE1 no hydrogen 3.458 N/A ARG 143.A NH2 GLU 96.A OE2 no hydrogen 2.754 N/A ILE 144.A N GLN 551.A OE1 no hydrogen 3.001 N/A LEU 145.A N VAL 171.A O no hydrogen 2.949 N/A ARG 146.A N LEU 129.A O no hydrogen 2.848 N/A ARG 146.A NE ALA 131.A O no hydrogen 2.960 N/A ARG 146.A NH1 GLU 139.A OE2 no hydrogen 2.912 N/A ARG 146.A NH2 ALA 131.A O no hydrogen 3.014 N/A ARG 146.A NH2 GLU 139.A OE1 no hydrogen 2.939 N/A GLY 147.A N ALA 169.A O no hydrogen 2.855 N/A PHE 150.A N ARG 125.A O no hydrogen 2.826 N/A VAL 151.A N HIS 162.A O no hydrogen 2.857 N/A GLN 152.A N LYS 123.A O no hydrogen 2.891 N/A GLN 152.A NE2 ASP 157.A O no hydrogen 3.118 N/A ASP 153.A N ASP 157.A OD2 no hydrogen 2.959 N/A ASP 157.A N PHE 154.A O no hydrogen 2.894 N/A SER 158.A N ASN 195.A OD1 no hydrogen 2.815 N/A ALA 161.A N SER 158.A O no hydrogen 3.199 N/A HIS 162.A N ALA 159.A O no hydrogen 2.785 N/A HIS 162.A ND1 PRO 190.A O no hydrogen 2.752 N/A VAL 164.A N ALA 149.A O no hydrogen 2.885 N/A GLY 166.A N ASP 165.A OD1 no hydrogen 2.660 N/A VAL 168.A N ILE 182.A O no hydrogen 2.953 N/A ALA 169.A N GLY 147.A O no hydrogen 3.235 N/A TYR 170.A N ARG 180.A O no hydrogen 2.798 N/A TYR 170.A OH TYR 136.A OH no hydrogen 2.807 N/A VAL 171.A N LEU 145.A O no hydrogen 2.829 N/A ASP 172.A N GLU 177.A O no hydrogen 2.855 N/A VAL 173.A N ARG 143.A O no hydrogen 3.046 N/A VAL 174.A N ASP 172.A OD1 no hydrogen 2.917 N/A SER 175.A N ASP 172.A OD1 no hydrogen 2.844 N/A SER 175.A OG GLU 177.A OE1 no hydrogen 2.694 N/A LYS 176.A N ASP 172.A O no hydrogen 2.761 N/A LYS 176.A NZ VAL 173.A O no hydrogen 3.031 N/A THR 179.A N TYR 170.A O no hydrogen 2.920 N/A THR 179.A OG1 TYR 170.A O no hydrogen 3.316 N/A ARG 180.A N TYR 170.A O no hydrogen 3.489 N/A ARG 180.A NE GLU 138.A OE2 no hydrogen 2.702 N/A ARG 180.A NH2 GLU 138.A OE1 no hydrogen 2.779 N/A ARG 180.A NH2 GLU 138.A OE2 no hydrogen 2.735 N/A ILE 182.A N VAL 168.A O no hydrogen 2.781 N/A THR 184.A N GLY 166.A O no hydrogen 2.779 N/A GLY 185.A N ASP 183.A OD1 no hydrogen 2.871 N/A HIS 193.A NE2 GLU 200.A OE2 no hydrogen 3.201 N/A ASN 195.A N HIS 193.A ND1 no hydrogen 2.923 N/A ASN 195.A ND2 ASP 157.A OD1 no hydrogen 2.835 N/A ASP 198.A N ASN 195.A O no hydrogen 2.871 N/A GLU 200.A N ASP 198.A OD1 no hydrogen 2.823 N/A LEU 201.A N ASP 198.A O no hydrogen 2.701 N/A THR 202.A N ASP 198.A O no hydrogen 2.875 N/A THR 202.A OG1 GLY 203.A O no hydrogen 2.668 N/A GLY 203.A N PRO 199.A O no hydrogen 2.670 N/A GLN 216.A NE2 GLU 338.A OE2 no hydrogen 2.877 N/A GLY 219.A N GLN 216.A O no hydrogen 2.914 N/A SER 221.A N GLU 338.A OE2 no hydrogen 2.750 N/A SER 221.A OG GLU 338.A OE1 no hydrogen 3.345 N/A SER 221.A OG GLU 338.A OE2 no hydrogen 2.526 N/A THR 223.A N GLU 231.A O no hydrogen 2.952 N/A THR 225.A N HIS 229.A O no hydrogen 2.919 N/A ASN 228.A ND2 PHE 4.A O no hydrogen 2.875 N/A ASN 228.A ND2 VAL 239.A O no hydrogen 2.778 N/A HIS 229.A N THR 225.A O no hydrogen 2.851 N/A HIS 229.A ND1 ASP 238.A OD1 no hydrogen 2.738 N/A HIS 229.A NE2 GLU 231.A OE1 no hydrogen 2.981 N/A ILE 230.A N LEU 237.A O no hydrogen 2.798 N/A GLU 231.A N THR 223.A O no hydrogen 3.126 N/A TRP 232.A N TRP 235.A O no hydrogen 3.025 N/A TRP 232.A NE1 GLU 338.A OE1 no hydrogen 2.899 N/A LYS 234.A NZ ASP 615.A OD2 no hydrogen 2.588 N/A TRP 235.A N TRP 232.A O no hydrogen 2.792 N/A TRP 235.A NE1 TYR 382.A O no hydrogen 2.874 N/A SER 236.A N ALA 253.A O no hydrogen 2.872 N/A LEU 237.A N ILE 230.A O no hydrogen 3.084 N/A ASP 238.A N HIS 250.A O no hydrogen 2.906 N/A VAL 239.A N ASN 228.A O no hydrogen 2.906 N/A GLY 240.A N VAL 248.A O no hydrogen 2.663 N/A ASP 242.A N GLY 246.A O no hydrogen 2.847 N/A ARG 244.A N ASP 242.A OD2 no hydrogen 2.871 N/A ARG 244.A NH1 ASP 547.A O no hydrogen 2.762 N/A ARG 244.A NH2 GLY 546.A O no hydrogen 2.915 N/A GLU 245.A N ASP 242.A OD2 no hydrogen 3.082 N/A GLY 246.A N ASP 242.A O no hydrogen 2.727 N/A VAL 248.A N GLY 240.A O no hydrogen 2.889 N/A LEU 249.A N ALA 267.A O no hydrogen 2.979 N/A HIS 250.A N ASP 238.A O no hydrogen 2.826 N/A ASN 251.A N ASN 265.A O no hydrogen 2.903 N/A ASN 251.A ND2 ASP 238.A OD2 no hydrogen 2.731 N/A ILE 252.A N ILE 264.A O no hydrogen 2.860 N/A ALA 253.A N SER 236.A O no hydrogen 2.867 N/A PHE 254.A N ARG 261.A O no hydrogen 2.898 N/A ARG 255.A N LYS 234.A O no hydrogen 2.680 N/A ASP 256.A N ARG 259.A O no hydrogen 2.835 N/A ARG 259.A N ASP 256.A O no hydrogen 3.224 N/A ARG 259.A NH2 ASP 435.A OD2 no hydrogen 3.444 N/A ARG 261.A N PHE 254.A O no hydrogen 2.849 N/A ARG 261.A NE ASP 435.A OD1 no hydrogen 2.900 N/A ARG 261.A NH1 ASP 256.A OD2 no hydrogen 2.823 N/A ARG 261.A NH1 PHE 607.A O no hydrogen 2.860 N/A ARG 261.A NH2 ASP 435.A OD2 no hydrogen 2.866 N/A ARG 261.A NH2 PHE 607.A O no hydrogen 2.837 N/A ILE 263.A N ILE 252.A O no hydrogen 2.861 N/A ILE 264.A N ILE 252.A O no hydrogen 3.254 N/A ASN 265.A N ASP 431.A O no hydrogen 2.757 N/A ASN 265.A ND2 ASP 431.A OD2 no hydrogen 2.973 N/A ARG 266.A N ASP 431.A O no hydrogen 3.304 N/A ARG 266.A NE ASP 38.A OD2 no hydrogen 2.649 N/A ARG 266.A NH1 GLU 245.A OE1 no hydrogen 3.486 N/A ARG 266.A NH1 GLU 245.A OE2 no hydrogen 3.347 N/A ARG 266.A NH2 GLU 245.A OE1 no hydrogen 2.910 N/A ALA 267.A N LEU 249.A O no hydrogen 2.861 N/A SER 268.A N ARG 429.A O no hydrogen 3.132 N/A SER 268.A OG GLU 245.A OE2 no hydrogen 2.564 N/A ALA 270.A N SER 427.A O no hydrogen 2.780 N/A MET 272.A N.A GLU 271.A OE1 no hydrogen 2.877 N/A MET 272.A N.B GLU 271.A OE1 no hydrogen 2.872 N/A VAL 273.A N ILE 425.A O no hydrogen 2.856 N/A VAL 274.A N TYR 288.A O no hydrogen 2.822 N/A TYR 276.A N GLN 286.A O no hydrogen 3.086 N/A GLY 277.A N PHE 421.A O no hydrogen 2.831 N/A SER 280.A N ASP 278.A OD1 no hydrogen 2.956 N/A ILE 282.A N SER 280.A OG no hydrogen 3.114 N/A ARG 283.A N SER 280.A O no hydrogen 2.968 N/A ARG 283.A NE ASP 278.A OD2 no hydrogen 2.810 N/A ARG 283.A NH1 ASP 165.A OD1 no hydrogen 3.044 N/A ARG 283.A NH1 ASP 165.A OD2 no hydrogen 3.400 N/A ARG 283.A NH2 ASP 165.A OD1 no hydrogen 3.503 N/A ARG 283.A NH2 ASP 165.A OD2 no hydrogen 3.222 N/A ARG 283.A NH2 ASP 278.A OD2 no hydrogen 2.827 N/A SER 284.A N SER 280.A O no hydrogen 2.724 N/A TRP 285.A NE1 ILE 282.A O no hydrogen 2.867 N/A GLN 286.A N ARG 283.A O no hydrogen 2.889 N/A ASN 287.A ND2 TRP 285.A O no hydrogen 3.334 N/A TYR 288.A N VAL 274.A O no hydrogen 3.093 N/A TYR 288.A OH GLN 286.A OE1 no hydrogen 2.478 N/A PHE 289.A N GLU 293.A OE1 no hydrogen 3.053 N/A GLY 292.A N GLU 271.A OE1 no hydrogen 2.807 N/A GLU 293.A N PHE 289.A O no hydrogen 2.780 N/A TYR 294.A N PHE 289.A O no hydrogen 3.325 N/A TYR 294.A OH PRO 128.A O no hydrogen 2.784 N/A LEU 295.A N THR 291.A O no hydrogen 3.014 N/A GLN 298.A N LEU 295.A O no hydrogen 3.298 N/A GLN 298.A NE2 TYR 294.A O no hydrogen 2.768 N/A TYR 299.A N VAL 296.A O no hydrogen 3.329 N/A ALA 300.A N GLY 297.A O no hydrogen 3.180 N/A ASN 301.A N PHE 368.A O no hydrogen 2.660 N/A ASN 301.A ND2 TYR 299.A O no hydrogen 3.157 N/A ASN 301.A ND2 THR 370.A OG1 no hydrogen 3.143 N/A SER 302.A OG ARG 331.A O no hydrogen 2.737 N/A LEU 303.A N ASN 332.A O no hydrogen 2.995 N/A GLU 304.A N ASP 308.A OD2 no hydrogen 2.735 N/A GLY 306.A N CYS 309.A O no hydrogen 2.942 N/A CYS 307.A N.A GLU 304.A O no hydrogen 3.101 N/A CYS 307.A N.B GLU 304.A O no hydrogen 3.100 N/A CYS 307.A SG.B LEU 305.A O no hydrogen 3.809 N/A ASP 308.A N GLU 304.A O no hydrogen 2.834 N/A CYS 309.A N GLU 304.A O no hydrogen 3.420 N/A THR 314.A N MET 336.A O no hydrogen 2.875 N/A TYR 315.A OH LEU 303.A O no hydrogen 3.178 N/A LEU 316.A N ILE 334.A O no hydrogen 2.986 N/A ILE 320.A N ARG 328.A O.A no hydrogen 2.831 N/A ILE 320.A N ARG 328.A O.B no hydrogen 2.773 N/A SER 321.A OG ASP 322.A O no hydrogen 2.804 N/A ASP 322.A N ASN 326.A O no hydrogen 2.816 N/A PHE 324.A N ASP 322.A OD1 no hydrogen 2.707 N/A GLY 325.A N ASP 322.A O no hydrogen 3.274 N/A ASN 326.A N ASP 322.A OD1 no hydrogen 2.851 N/A ASN 326.A ND2 ASP 322.A OD1 no hydrogen 3.520 N/A ASN 326.A ND2 ASP 322.A OD2 no hydrogen 3.130 N/A ARG 328.A N.A ILE 320.A O no hydrogen 2.721 N/A ARG 328.A N.B ILE 320.A O no hydrogen 2.714 N/A ILE 330.A N PRO 318.A O no hydrogen 2.800 N/A ASN 332.A N SER 317.A OG no hydrogen 2.893 N/A GLY 333.A N ILE 330.A O no hydrogen 3.203 N/A ILE 334.A N LEU 316.A O no hydrogen 3.099 N/A CYS 335.A N SER 366.A O no hydrogen 2.997 N/A MET 336.A N THR 314.A O no hydrogen 2.919 N/A HIS 337.A N VAL 364.A O no hydrogen 3.163 N/A GLU 339.A N ARG 362.A O no hydrogen 2.970 N/A TRP 341.A N ASN 360.A O no hydrogen 2.855 N/A GLY 342.A N ASP 340.A OD2 no hydrogen 3.024 N/A LEU 344.A N ARG 358.A O no hydrogen 2.803 N/A ALA 345.A N ARG 358.A O no hydrogen 3.515 N/A HIS 347.A N TYR 356.A O no hydrogen 2.952 N/A HIS 347.A NE2 ASP 349.A OD1 no hydrogen 2.759 N/A ASP 349.A N ILE 354.A O no hydrogen 3.071 N/A TRP 351.A N ASP 349.A OD2 no hydrogen 3.007 N/A SER 352.A N ASP 349.A OD2 no hydrogen 2.903 N/A SER 352.A OG ASP 349.A OD2 no hydrogen 3.535 N/A GLY 353.A N ASP 349.A O no hydrogen 3.135 N/A ILE 354.A N SER 352.A OG no hydrogen 3.165 N/A TYR 356.A N HIS 347.A O no hydrogen 2.917 N/A ARG 358.A N ALA 345.A O no hydrogen 2.935 N/A ARG 358.A NE VAL 616.A O no hydrogen 3.083 N/A ARG 358.A NH1 THR 357.A O no hydrogen 2.766 N/A ARG 359.A NE ASP 340.A OD1 no hydrogen 2.950 N/A ARG 359.A NH2 ASP 340.A OD1 no hydrogen 3.234 N/A ARG 359.A NH2 ASP 340.A OD2 no hydrogen 2.587 N/A ASN 360.A N GLY 342.A O no hydrogen 2.756 N/A ARG 361.A NH1 GLU 338.A OE1 no hydrogen 3.019 N/A ARG 362.A N GLU 339.A O no hydrogen 3.046 N/A ARG 362.A NE GLU 339.A OE1 no hydrogen 2.567 N/A ARG 362.A NH1 TYR 382.A OH no hydrogen 3.011 N/A ARG 362.A NH2 GLU 339.A OE1 no hydrogen 2.671 N/A MET 363.A N LEU 381.A O no hydrogen 2.800 N/A VAL 364.A N HIS 337.A O no hydrogen 2.731 N/A ILE 365.A N TRP 379.A O no hydrogen 2.991 N/A SER 366.A N CYS 335.A O no hydrogen 3.001 N/A PHE 367.A N PHE 377.A O no hydrogen 3.188 N/A THR 369.A N TYR 375.A O no hydrogen 2.904 N/A THR 369.A OG1 VAL 296.A O no hydrogen 2.545 N/A THR 370.A N TYR 299.A O no hydrogen 3.410 N/A THR 370.A OG1 ASP 374.A OD2 no hydrogen 2.762 N/A ASN 373.A ND2 VAL 396.A O no hydrogen 2.764 N/A TYR 375.A N THR 369.A O no hydrogen 2.986 N/A TYR 375.A OH ASP 290.A OD2 no hydrogen 2.836 N/A TYR 375.A OH HIS 424.A ND1 no hydrogen 3.013 N/A GLY 376.A N LYS 392.A O no hydrogen 2.790 N/A PHE 377.A N PHE 367.A O no hydrogen 2.931 N/A TYR 378.A N GLU 390.A O no hydrogen 2.836 N/A TRP 379.A N ILE 365.A O no hydrogen 2.967 N/A TYR 380.A N GLU 388.A O no hydrogen 2.796 N/A TYR 380.A OH GLU 390.A OE1 no hydrogen 2.578 N/A LEU 381.A N MET 363.A O no hydrogen 3.073 N/A TYR 382.A N THR 386.A O no hydrogen 2.987 N/A TYR 382.A OH GLU 388.A OE1 no hydrogen 2.612 N/A LEU 383.A N ARG 361.A O no hydrogen 3.395 N/A GLY 385.A N TYR 382.A O no hydrogen 3.115 N/A THR 386.A N ASP 384.A OD1 no hydrogen 3.045 N/A THR 386.A OG1 ASP 384.A OD1 no hydrogen 2.873 N/A ILE 387.A N LEU 602.A O no hydrogen 2.931 N/A GLU 388.A N TYR 380.A O no hydrogen 2.911 N/A PHE 389.A N PHE 600.A O no hydrogen 3.059 N/A GLU 390.A N TYR 378.A O no hydrogen 2.827 N/A ALA 391.A N VAL 598.A O no hydrogen 2.841 N/A LYS 392.A N GLY 376.A O no hydrogen 2.801 N/A ALA 393.A N ASP 596.A O no hydrogen 2.863 N/A THR 394.A N ASP 374.A O no hydrogen 2.899 N/A THR 394.A OG1 MET 593.A O no hydrogen 2.536 N/A GLY 395.A N THR 394.A OG1 no hydrogen 2.700 N/A VAL 396.A N ASN 373.A O no hydrogen 2.819 N/A THR 399.A OG1 TRP 160.A O no hydrogen 2.598 N/A SER 400.A N GLY 418.A O no hydrogen 2.889 N/A SER 400.A OG ALA 401.A O no hydrogen 2.933 N/A ALA 401.A N ASP 165.A OD2 no hydrogen 2.895 N/A PHE 402.A N GLY 416.A O no hydrogen 2.835 N/A GLY 406.A N PRO 403.A O no hydrogen 3.025 N/A ASN 409.A N SER 407.A OG no hydrogen 2.901 N/A SER 411.A N ALA 419.A O no hydrogen 2.907 N/A SER 411.A OG PRO 585.A O no hydrogen 2.923 N/A LEU 413.A N LEU 417.A O no hydrogen 2.879 N/A GLY 416.A N GLN 412.A OE1 no hydrogen 3.197 N/A LEU 417.A N ALA 414.A O no hydrogen 2.901 N/A GLY 418.A N SER 400.A O no hydrogen 2.785 N/A ALA 419.A N SER 411.A O no hydrogen 2.747 N/A PHE 421.A N ASN 409.A O no hydrogen 2.963 N/A HIS 422.A N HIS 583.A O no hydrogen 3.287 N/A HIS 422.A ND1 PRO 420.A O no hydrogen 2.942 N/A HIS 422.A NE2 HIS 424.A NE2 no hydrogen 3.124 N/A GLN 423.A N PRO 275.A O no hydrogen 3.060 N/A GLN 423.A NE2 THR 512.A O no hydrogen 3.035 N/A GLN 423.A NE2 THR 582.A OG1 no hydrogen 2.886 N/A HIS 424.A N LEU 581.A O no hydrogen 2.751 N/A HIS 424.A ND1 TYR 375.A OH no hydrogen 3.013 N/A ILE 425.A N VAL 273.A O no hydrogen 2.862 N/A PHE 426.A N PHE 579.A O no hydrogen 2.730 N/A SER 427.A N GLU 271.A O no hydrogen 2.873 N/A ALA 428.A N HIS 577.A O no hydrogen 2.900 N/A ARG 429.A N SER 268.A O no hydrogen 2.878 N/A ARG 429.A NE GLU 541.A O no hydrogen 3.501 N/A LEU 430.A N VAL 575.A O no hydrogen 2.658 N/A ASP 431.A N ARG 266.A O no hydrogen 2.859 N/A MET 432.A N ILE 573.A O no hydrogen 3.130 N/A ALA 433.A N ILE 263.A O no hydrogen 2.946 N/A ILE 434.A N ASN 439.A OD1 no hydrogen 2.923 N/A ASP 435.A N PRO 262.A O no hydrogen 2.820 N/A GLY 436.A N ALA 433.A O no hydrogen 3.105 N/A ASN 439.A N GLN 571.A O no hydrogen 3.051 N/A ASN 439.A ND2 ILE 434.A O no hydrogen 3.184 N/A ASN 439.A ND2 GLY 436.A O no hydrogen 3.077 N/A ARG 440.A N SER 489.A O no hydrogen 2.984 N/A ARG 440.A NE SER 489.A OG no hydrogen 2.911 N/A GLU 442.A N ILE 487.A O no hydrogen 2.826 N/A GLU 443.A N THR 466.A O no hydrogen 2.937 N/A GLU 444.A N THR 485.A O no hydrogen 2.791 N/A ASP 445.A N LYS 464.A O no hydrogen 3.082 N/A VAL 446.A N THR 482.A O no hydrogen 2.805 N/A VAL 447.A N SER 462.A O no hydrogen 2.846 N/A GLY 452.A N ASN 455.A O no hydrogen 3.122 N/A GLY 454.A N GLU 456.A OE2 no hydrogen 3.001 N/A ASN 455.A N GLY 452.A O no hydrogen 2.740 N/A ASN 455.A ND2 THR 450.A O no hydrogen 3.017 N/A GLU 456.A N GLU 456.A OE1 no hydrogen 2.653 N/A GLY 458.A N ASN 455.A O no hydrogen 2.925 N/A ALA 460.A N ASN 455.A OD1 no hydrogen 3.056 N/A SER 462.A N VAL 447.A O no hydrogen 2.838 N/A SER 462.A OG ARG 463.A O no hydrogen 3.433 N/A ARG 463.A NH1 GLU 444.A OE2 no hydrogen 3.494 N/A LYS 464.A N ASP 445.A O no hydrogen 2.923 N/A ARG 465.A NE GLU 444.A OE1 no hydrogen 2.734 N/A ARG 465.A NH2 GLU 444.A OE1 no hydrogen 2.913 N/A THR 466.A N GLU 443.A O no hydrogen 3.021 N/A LEU 468.A N VAL 441.A O no hydrogen 2.932 N/A THR 469.A N GLU 473.A OE1 no hydrogen 2.668 N/A THR 469.A OG1 GLU 473.A OE1 no hydrogen 2.601 N/A ARG 470.A NH1 ASP 565.A O no hydrogen 2.631 N/A GLU 471.A N ARG 566.A O no hydrogen 3.071 N/A SER 472.A N ASP 565.A OD1 no hydrogen 3.122 N/A SER 472.A OG ASP 565.A OD1 no hydrogen 2.775 N/A GLU 473.A N ARG 470.A O no hydrogen 3.023 N/A ALA 474.A N GLU 471.A O no hydrogen 2.956 N/A ARG 476.A N LEU 532.A O no hydrogen 2.685 N/A ARG 476.A NE GLU 443.A OE2 no hydrogen 2.822 N/A ARG 476.A NH1 GLU 473.A O no hydrogen 2.883 N/A ARG 476.A NH2 GLU 443.A OE1 no hydrogen 2.756 N/A ALA 478.A N ASP 531.A OD1 no hydrogen 2.912 N/A THR 482.A N ASP 479.A O no hydrogen 3.159 N/A THR 482.A N ASP 479.A OD1 no hydrogen 3.400 N/A THR 482.A OG1 ASP 479.A O no hydrogen 3.421 N/A GLY 483.A N ALA 480.A O no hydrogen 2.949 N/A ARG 484.A N ASP 479.A O no hydrogen 3.141 N/A ARG 484.A NE ASP 445.A OD1 no hydrogen 2.761 N/A ARG 484.A NH1 GLU 477.A O no hydrogen 2.898 N/A ARG 484.A NH2 ASP 445.A OD2 no hydrogen 2.924 N/A THR 485.A N GLU 444.A O no hydrogen 2.993 N/A TRP 486.A NE1 GLU 443.A OE2 no hydrogen 2.928 N/A ILE 487.A N GLU 442.A O no hydrogen 2.773 N/A ILE 488.A N TYR 503.A O no hydrogen 2.857 N/A SER 489.A N ARG 440.A O no hydrogen 2.940 N/A ASN 490.A N VAL 501.A O no hydrogen 2.985 N/A ASN 490.A ND2 ILE 434.A O no hydrogen 2.970 N/A GLU 492.A N ASN 490.A OD1 no hydrogen 2.828 N/A SER 493.A N ASN 490.A O no hydrogen 3.147 N/A SER 493.A OG ASP 435.A OD2 no hydrogen 2.638 N/A ASN 495.A N GLU 499.A O no hydrogen 2.796 N/A ASN 495.A ND2 GLY 606.A O no hydrogen 2.874 N/A ARG 496.A N ASP 609.A OD1 no hydrogen 2.800 N/A ARG 496.A NE ASP 609.A O no hydrogen 3.289 N/A LEU 497.A N ASN 495.A OD1 no hydrogen 2.876 N/A ASN 498.A N ASN 495.A O no hydrogen 2.867 N/A GLU 499.A N ASN 495.A OD1 no hydrogen 3.182 N/A VAL 501.A N SER 493.A O no hydrogen 2.981 N/A TYR 503.A N ILE 488.A O no hydrogen 2.850 N/A TYR 503.A OH GLY 385.A O no hydrogen 2.663 N/A LYS 504.A N ARG 603.A O no hydrogen 2.710 N/A LYS 504.A NZ GLU 444.A OE2 no hydrogen 2.762 N/A LEU 505.A N TRP 486.A O no hydrogen 2.755 N/A HIS 506.A N LYS 601.A O no hydrogen 2.780 N/A LEU 513.A N ALA 528.A O no hydrogen 2.818 N/A LEU 514.A N GLN 423.A OE1 no hydrogen 3.061 N/A GLY 518.A N ASP 516.A OD1 no hydrogen 2.797 N/A SER 519.A N ASP 516.A O no hydrogen 2.919 N/A SER 519.A OG ASP 516.A O no hydrogen 2.757 N/A SER 520.A OG VAL 133.A O no hydrogen 2.993 N/A ALA 522.A N SER 519.A OG no hydrogen 3.055 N/A ARG 523.A N SER 519.A O no hydrogen 3.389 N/A ARG 523.A N SER 520.A O no hydrogen 2.984 N/A ARG 523.A NH1 GLY 518.A O no hydrogen 2.916 N/A ARG 524.A N SER 520.A O no hydrogen 2.887 N/A ARG 524.A NE HIS 552.A O no hydrogen 2.904 N/A ARG 524.A NH2 GLU 293.A OE2 no hydrogen 3.061 N/A ARG 524.A NH2 VAL 549.A O no hydrogen 2.952 N/A ALA 525.A N ILE 521.A O no hydrogen 2.736 N/A ALA 528.A N ALA 525.A O no hydrogen 2.829 N/A THR 529.A N ALA 526.A O no hydrogen 3.011 N/A THR 529.A OG1 ALA 526.A O no hydrogen 2.724 N/A LYS 530.A N PHE 527.A O no hydrogen 3.484 N/A LEU 532.A N ARG 476.A O no hydrogen 3.105 N/A TRP 533.A N TRP 576.A O no hydrogen 3.003 N/A TRP 533.A NE1 PHE 527.A O no hydrogen 3.127 N/A VAL 534.A N ALA 474.A O no hydrogen 3.130 N/A THR 535.A N VAL 574.A O no hydrogen 2.888 N/A ARG 536.A N GLU 471.A OE2 no hydrogen 2.913 N/A ARG 536.A NH1 ASP 567.A O no hydrogen 3.024 N/A TYR 537.A N ASP 572.A O no hydrogen 2.753 N/A TYR 537.A OH ASP 539.A OD1 no hydrogen 2.918 N/A GLU 541.A N ALA 538.A O no hydrogen 3.158 N/A THR 545.A OG1 GLU 271.A OE2 no hydrogen 2.634 N/A GLY 546.A N TYR 543.A O no hydrogen 3.201 N/A ASN 550.A ND2 LEU 90.A O no hydrogen 2.993 N/A GLN 551.A NE2 ARG 142.A O no hydrogen 2.983 N/A HIS 552.A N VAL 549.A O no hydrogen 3.063 N/A GLY 554.A N HIS 552.A ND1 no hydrogen 3.001 N/A GLY 555.A N ARG 523.A O no hydrogen 2.941 N/A LEU 558.A N PRO 544.A O no hydrogen 2.954 N/A SER 560.A N.A GLY 557.A O no hydrogen 2.762 N/A SER 560.A N.B GLY 557.A O no hydrogen 2.762 N/A TYR 561.A N GLY 557.A O no hydrogen 2.945 N/A TYR 561.A OH TYR 543.A O no hydrogen 2.717 N/A ILE 562.A N LEU 558.A O no hydrogen 2.848 N/A ALA 563.A N PRO 559.A O no hydrogen 3.298 N/A GLN 564.A N TYR 561.A O no hydrogen 3.012 N/A GLN 564.A NE2 GLU 541.A OE2 no hydrogen 2.928 N/A GLN 564.A NE2 TYR 561.A O no hydrogen 3.047 N/A ASP 565.A N ILE 562.A O no hydrogen 2.925 N/A ARG 566.A N GLU 471.A OE1 no hydrogen 2.785 N/A ARG 566.A NE GLU 471.A OE1 no hydrogen 2.802 N/A ARG 566.A NE GLU 471.A OE2 no hydrogen 3.228 N/A ARG 566.A NH1 GLU 541.A OE2 no hydrogen 3.104 N/A ARG 566.A NH2 GLU 471.A OE2 no hydrogen 2.749 N/A ARG 566.A NH2 GLU 541.A OE1 no hydrogen 2.870 N/A ARG 566.A NH2 GLU 541.A OE2 no hydrogen 3.342 N/A ILE 568.A N THR 469.A O no hydrogen 3.144 N/A ASP 569.A N ASP 567.A OD1 no hydrogen 2.897 N/A GLN 571.A N ASN 439.A O no hydrogen 2.922 N/A GLN 571.A NE2 ASP 567.A OD2 no hydrogen 3.299 N/A VAL 574.A N THR 535.A O no hydrogen 2.820 N/A VAL 575.A N LEU 430.A O no hydrogen 2.786 N/A TRP 576.A N TRP 533.A O no hydrogen 2.827 N/A TRP 576.A NE1 THR 535.A OG1 no hydrogen 2.901 N/A HIS 577.A N ALA 428.A O no hydrogen 2.912 N/A HIS 577.A ND1 ASP 531.A O no hydrogen 2.897 N/A THR 578.A N ASP 531.A O no hydrogen 2.888 N/A THR 578.A OG1 PHE 527.A O no hydrogen 2.799 N/A THR 578.A OG1 LYS 530.A O no hydrogen 3.072 N/A PHE 579.A N PHE 426.A O no hydrogen 3.082 N/A LEU 581.A N HIS 424.A O no hydrogen 2.773 N/A HIS 583.A N HIS 422.A O no hydrogen 2.858 N/A HIS 583.A ND1 HIS 422.A NE2 no hydrogen 3.060 N/A HIS 583.A NE2 ASP 589.A OD2 no hydrogen 2.797 N/A ARG 586.A N ASP 589.A OD2 no hydrogen 2.919 N/A ARG 586.A NE ASP 589.A OD1 no hydrogen 3.139 N/A GLU 588.A N GLU 588.A OE1 no hydrogen 2.817 N/A ASP 589.A N ARG 586.A O no hydrogen 2.826 N/A TRP 590.A N VAL 587.A O no hydrogen 3.033 N/A MET 593.A N GLY 395.A O no hydrogen 2.959 N/A ASP 596.A N ALA 393.A O no hydrogen 3.054 N/A THR 597.A N ASP 596.A OD1 no hydrogen 2.833 N/A VAL 598.A N ALA 391.A O no hydrogen 3.228 N/A PHE 600.A N PHE 389.A O no hydrogen 3.242 N/A LYS 601.A N HIS 506.A O no hydrogen 3.222 N/A LEU 602.A N ILE 387.A O no hydrogen 2.771 N/A ARG 603.A N LYS 504.A O no hydrogen 2.867 N/A GLU 605.A N GLY 502.A O no hydrogen 2.828 N/A VAL 613.A N SER 611.A OG no hydrogen 3.244 N/A VAL 616.A N VAL 613.A O no hydrogen 3.490 N/A