Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 3.A OD2 no hydrogen 3.372 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 3.469 N/A SER 5.A OG ASP 3.A OD2 no hydrogen 2.746 N/A THR 10.A OG1 SER 11.A O no hydrogen 2.851 N/A SER 11.A N GLY 15.A O no hydrogen 2.934 N/A VAL 13.A N SER 11.A OG no hydrogen 3.187 N/A GLY 14.A N SER 11.A O no hydrogen 2.983 N/A GLY 15.A N SER 11.A OG no hydrogen 3.238 N/A ILE 17.A N LEU 9.A O no hydrogen 3.039 N/A GLN 18.A NE2 THR 21.A O no hydrogen 2.949 N/A GLN 20.A N GLN 18.A OE1 no hydrogen 2.863 N/A GLN 20.A NE2 ASP 19.A OD1 no hydrogen 2.767 N/A THR 21.A N GLN 18.A OE1 no hydrogen 3.074 N/A LEU 23.A N ASP 35.A OD2 no hydrogen 2.833 N/A LYS 24.A NZ ILE 27.A O no hydrogen 3.531 N/A ALA 25.A N PRO 30.A O no hydrogen 2.904 N/A GLY 29.A N GLY 26.A O no hydrogen 2.524 N/A LEU 32.A N LEU 23.A O no hydrogen 2.839 N/A ASP 35.A N LEU 32.A O no hydrogen 2.799 N/A PHE 36.A N GLU 34.A O no hydrogen 2.915 N/A PHE 38.A N ASP 35.A OD1 no hydrogen 2.990 N/A ARG 39.A N ASP 35.A O no hydrogen 3.189 N/A ARG 39.A NE LEU 33.A O no hydrogen 2.897 N/A ARG 39.A NH2 LEU 33.A O no hydrogen 3.127 N/A GLN 40.A N PHE 36.A O no hydrogen 2.989 N/A GLN 40.A NE2 MET 37.A O no hydrogen 3.252 N/A LYS 41.A N MET 37.A O no hydrogen 3.392 N/A LYS 41.A NZ ASP 19.A O no hydrogen 3.137 N/A LYS 41.A NZ ASP 19.A OD2 no hydrogen 2.749 N/A ILE 42.A N PHE 38.A O no hydrogen 2.978 N/A GLN 43.A N ARG 39.A O no hydrogen 2.846 N/A HIS 44.A N GLN 40.A O no hydrogen 3.303 N/A PHE 45.A N LYS 41.A O no hydrogen 3.103 N/A ASP 46.A N ILE 42.A O no hydrogen 2.671 N/A HIS 47.A N HIS 44.A O no hydrogen 3.103 N/A GLU 48.A N PHE 45.A O no hydrogen 2.989 N/A ARG 49.A NH1 GLU 48.A OE1 no hydrogen 2.903 N/A ARG 53.A NH1 GLU 315.A O no hydrogen 3.133 N/A ARG 53.A NH2 THR 314.A O no hydrogen 2.948 N/A ARG 53.A NH2 GLU 315.A O no hydrogen 3.427 N/A HIS 56.A N VAL 97.A O no hydrogen 2.889 N/A ARG 58.A NE ASP 105.A OD1 no hydrogen 3.123 N/A ARG 58.A NH1 ARG 101.A O.A no hydrogen 3.260 N/A ARG 58.A NH2 ASP 105.A OD1 no hydrogen 3.477 N/A ARG 58.A NH2 ALA 243.A O no hydrogen 3.082 N/A ARG 58.A NH2 ASP 244.A OD1 no hydrogen 2.732 N/A ALA 60.A N PHE 94.A O no hydrogen 2.855 N/A ALA 62.A N VAL 92.A O no hydrogen 2.928 N/A HIS 63.A N ARG 305.A O no hydrogen 2.693 N/A HIS 63.A NE2 GLU 313.A OE1 no hydrogen 2.817 N/A GLY 64.A N VAL 90.A O no hydrogen 3.048 N/A THR 65.A N LYS 302.A O no hydrogen 2.879 N/A PHE 66.A N THR 88.A O no hydrogen 2.716 N/A THR 67.A N LEU 300.A O no hydrogen 2.844 N/A SER 68.A N LYS 86.A O no hydrogen 2.892 N/A SER 68.A OG ALA 70.A O no hydrogen 2.989 N/A TYR 69.A N LEU 298.A O no hydrogen 2.965 N/A TRP 72.A N LEU 81.A O no hydrogen 2.895 N/A TRP 72.A NE1 LEU 298.A O no hydrogen 3.178 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.867 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.677 N/A ILE 75.A N TRP 72.A O no hydrogen 2.960 N/A THR 76.A N TRP 72.A O no hydrogen 2.966 N/A THR 76.A OG1 GLY 327.A O no hydrogen 2.746 N/A ALA 77.A N VAL 208.A O no hydrogen 2.748 N/A ALA 78.A N THR 76.A OG1 no hydrogen 3.029 N/A SER 79.A OG ASP 120.A OD1 no hydrogen 2.456 N/A LEU 81.A N ALA 78.A O no hydrogen 2.970 N/A ASN 82.A N SER 79.A O no hydrogen 3.254 N/A GLY 85.A N SER 68.A O no hydrogen 2.822 N/A LYS 86.A N ALA 83.A O no hydrogen 3.249 N/A LYS 86.A NZ SER 79.A O no hydrogen 2.620 N/A LYS 86.A NZ ASN 82.A OD1 no hydrogen 3.413 N/A LYS 86.A NZ ASP 120.A OD1 no hydrogen 3.520 N/A LYS 86.A NZ ASP 120.A OD2 no hydrogen 2.820 N/A THR 88.A N PHE 66.A O no hydrogen 2.856 N/A VAL 90.A N GLY 64.A O no hydrogen 2.744 N/A PHE 91.A N ARG 116.A O no hydrogen 2.984 N/A VAL 92.A N ALA 62.A O no hydrogen 3.009 N/A ARG 93.A N ALA 114.A O no hydrogen 2.929 N/A ARG 93.A NH1 HIS 56.A O no hydrogen 3.010 N/A ARG 93.A NH2 HIS 56.A O no hydrogen 3.040 N/A PHE 94.A N ALA 60.A O no hydrogen 2.812 N/A SER 95.A N GLY 112.A O no hydrogen 3.057 N/A SER 95.A OG THR 96.A O no hydrogen 3.429 N/A THR 96.A N ARG 58.A O no hydrogen 3.038 N/A VAL 97.A N ASP 109.A OD2 no hydrogen 2.871 N/A ALA 98.A N ASP 109.A OD2 no hydrogen 2.742 N/A SER 100.A N GLN 159.A OE1 no hydrogen 2.801 N/A SER 100.A OG GLU 52.A OE2 no hydrogen 2.803 N/A ARG 101.A N.A GLU 52.A OE1 no hydrogen 3.044 N/A ARG 101.A N.B GLU 52.A OE1 no hydrogen 3.005 N/A ARG 101.A NH2.A GLU 315.A OE1 no hydrogen 2.774 N/A SER 103.A N SER 100.A O no hydrogen 3.142 N/A SER 103.A OG SER 100.A O no hydrogen 2.633 N/A ASP 105.A N ALA 243.A O no hydrogen 3.021 N/A THR 106.A OG1 ALA 235.A O no hydrogen 3.303 N/A THR 106.A OG1 SER 239.A OG no hydrogen 2.895 N/A ARG 108.A NH1 ALA 184.A O no hydrogen 2.979 N/A ARG 108.A NH1 SER 186.A O no hydrogen 2.827 N/A ASP 109.A N GLY 189.A O no hydrogen 3.112 N/A VAL 110.A N ASP 109.A OD1 no hydrogen 2.966 N/A HIS 111.A N ASN 130.A OD1 no hydrogen 2.896 N/A GLY 112.A N SER 95.A O no hydrogen 2.811 N/A PHE 113.A N GLY 128.A O no hydrogen 2.734 N/A ALA 114.A N ARG 93.A O no hydrogen 3.010 N/A THR 115.A N ILE 126.A O no hydrogen 2.878 N/A ARG 116.A N PHE 91.A O no hydrogen 2.759 N/A ARG 116.A NE ASP 125.A OD1 no hydrogen 2.809 N/A ARG 116.A NH1 ILE 361.A O no hydrogen 3.287 N/A ARG 116.A NH1 ASN 362.A OD1 no hydrogen 3.090 N/A ARG 116.A NH2 ASP 125.A OD1 no hydrogen 3.508 N/A ARG 116.A NH2 ASP 125.A OD2 no hydrogen 2.758 N/A ARG 116.A NH2 MET 318.A O no hydrogen 2.972 N/A PHE 117.A N PHE 124.A O no hydrogen 2.768 N/A TYR 118.A N PRO 89.A O no hydrogen 2.957 N/A TYR 118.A OH ILE 361.A O no hydrogen 2.702 N/A THR 119.A N GLY 122.A O no hydrogen 3.089 N/A THR 119.A OG1 GLY 122.A O no hydrogen 2.681 N/A GLU 121.A N THR 119.A OG1 no hydrogen 2.765 N/A GLY 122.A N THR 119.A O no hydrogen 3.073 N/A ASN 123.A ND2 MET 363.A O no hydrogen 3.425 N/A PHE 124.A N PHE 117.A O no hydrogen 2.817 N/A ASP 125.A N HIS 323.A O no hydrogen 3.059 N/A ILE 126.A N THR 115.A O no hydrogen 2.813 N/A GLY 128.A N PHE 113.A O no hydrogen 2.920 N/A ASN 129.A N PHE 200.A O no hydrogen 3.076 N/A ASN 130.A N HIS 111.A O no hydrogen 2.773 N/A ASN 130.A ND2 HIS 188.A O no hydrogen 2.994 N/A PHE 134.A N PRO 284.A O no hydrogen 2.905 N/A GLN 137.A NE2 ASP 283.A OD1 no hydrogen 2.958 N/A GLN 137.A NE2 THR 285.A OG1 no hydrogen 3.385 N/A GLN 137.A NE2 PHE 429.A O no hydrogen 3.009 N/A ALA 139.A N PRO 334.A O no hydrogen 3.311 N/A ILE 140.A N ASP 138.A OD1 no hydrogen 2.932 N/A GLN 141.A N ASP 138.A O no hydrogen 3.014 N/A PHE 142.A N ALA 139.A O no hydrogen 2.840 N/A LEU 145.A N GLN 141.A O no hydrogen 3.067 N/A ILE 146.A N PHE 142.A O no hydrogen 2.993 N/A HIS 147.A N PRO 143.A O no hydrogen 2.852 N/A SER 148.A N ASP 144.A O no hydrogen 3.107 N/A SER 148.A OG ASP 144.A O no hydrogen 3.528 N/A SER 148.A OG LEU 145.A O no hydrogen 2.743 N/A VAL 149.A N LEU 145.A O no hydrogen 3.035 N/A VAL 149.A N ILE 146.A O no hydrogen 3.276 N/A LYS 150.A N ILE 146.A O no hydrogen 2.954 N/A LYS 150.A NZ ALA 98.A O no hydrogen 2.549 N/A ARG 152.A N ILE 157.A O no hydrogen 2.799 N/A ARG 152.A NE ASP 154.A OD1 no hydrogen 2.708 N/A ASN 155.A N ASP 154.A OD1 no hydrogen 2.764 N/A GLU 156.A N ARG 152.A O no hydrogen 2.583 N/A THR 162.A OG1 GLU 458.A OE1 no hydrogen 2.580 N/A THR 162.A OG1 GLU 458.A OE2 no hydrogen 2.879 N/A HIS 164.A N THR 162.A O no hydrogen 2.889 N/A HIS 164.A NE2 VAL 149.A O no hydrogen 3.071 N/A SER 166.A OG SER 148.A O no hydrogen 2.767 N/A SER 166.A OG HIS 164.A ND1 no hydrogen 3.084 N/A TRP 168.A NE1 GLU 458.A OE1 no hydrogen 3.054 N/A ASP 169.A N ASP 165.A O no hydrogen 2.814 N/A PHE 170.A N SER 166.A O no hydrogen 2.937 N/A PHE 171.A N ALA 167.A O no hydrogen 2.833 N/A SER 172.A N TRP 168.A O no hydrogen 2.866 N/A SER 172.A OG TRP 168.A O no hydrogen 3.075 N/A SER 172.A OG ASP 169.A O no hydrogen 3.142 N/A GLN 173.A N ASP 169.A O no hydrogen 3.075 N/A GLN 173.A N PHE 170.A O no hydrogen 3.181 N/A GLN 174.A N PHE 170.A O no hydrogen 2.803 N/A SER 176.A OG PHE 135.A O no hydrogen 2.742 N/A THR 177.A N GLN 174.A O no hydrogen 3.017 N/A THR 177.A OG1 GLN 174.A O no hydrogen 2.692 N/A MET 178.A N PRO 175.A O no hydrogen 2.893 N/A HIS 179.A ND1 THR 285.A O no hydrogen 3.028 N/A THR 180.A OG1 VAL 133.A O no hydrogen 2.815 N/A LEU 181.A N THR 177.A O no hydrogen 2.758 N/A PHE 182.A N MET 178.A O no hydrogen 2.814 N/A TRP 183.A N HIS 179.A O no hydrogen 3.136 N/A TRP 183.A NE1 HIS 179.A NE2 no hydrogen 2.883 N/A ALA 184.A N THR 180.A O no hydrogen 2.847 N/A MET 185.A N LEU 181.A O no hydrogen 2.885 N/A SER 186.A N PHE 182.A O no hydrogen 3.066 N/A SER 186.A N TRP 183.A O no hydrogen 3.108 N/A SER 186.A OG TRP 183.A O no hydrogen 2.652 N/A HIS 188.A N SER 186.A OG no hydrogen 3.091 N/A HIS 188.A NE2 VAL 510.A O no hydrogen 2.957 N/A GLY 189.A N SER 186.A O no hydrogen 3.224 N/A ILE 190.A N GLY 187.A O no hydrogen 2.817 N/A ARG 192.A N ALA 228.A O no hydrogen 2.899 N/A ARG 192.A NE ASP 579.A OD1 no hydrogen 2.793 N/A ARG 192.A NH1 ARG 192.A O no hydrogen 2.847 N/A ARG 192.A NH1 ASP 249.A OD2 no hydrogen 2.997 N/A ARG 192.A NH2 ASP 249.A OD2 no hydrogen 3.530 N/A ARG 192.A NH2 ASP 579.A OD2 no hydrogen 3.104 N/A SER 193.A OG HIS 196.A ND1 no hydrogen 2.689 N/A ARG 195.A N SER 193.A OG no hydrogen 2.799 N/A ARG 195.A NE ASP 249.A OD1 no hydrogen 2.645 N/A ARG 195.A NH2 ASP 249.A OD1 no hydrogen 3.401 N/A ARG 195.A NH2 ASP 249.A OD2 no hydrogen 3.116 N/A ARG 195.A NH2 THR 523.A OG1 no hydrogen 2.931 N/A HIS 196.A N SER 193.A O no hydrogen 3.267 N/A HIS 196.A N SER 193.A OG no hydrogen 3.092 N/A HIS 196.A ND1 SER 193.A OG no hydrogen 2.689 N/A GLY 199.A N PHE 221.A O no hydrogen 2.977 N/A PHE 200.A N ASN 129.A O no hydrogen 2.773 N/A GLY 201.A N TRP 219.A O no hydrogen 3.293 N/A HIS 203.A N GLY 201.A O no hydrogen 2.678 N/A HIS 203.A ND1 ASP 333.A OD2 no hydrogen 2.702 N/A THR 204.A OG1 LEU 281.A O no hydrogen 2.476 N/A PHE 205.A N ILE 217.A O no hydrogen 2.903 N/A ARG 206.A N ASP 329.A O no hydrogen 2.883 N/A ARG 206.A NE GLU 271.A OE1 no hydrogen 3.542 N/A ARG 206.A NE GLU 271.A OE2 no hydrogen 2.998 N/A ARG 206.A NH1 PHE 330.A O no hydrogen 3.039 N/A ARG 206.A NH1 GLU 332.A OE1 no hydrogen 2.983 N/A ARG 206.A NH2 GLU 271.A OE1 no hydrogen 3.137 N/A ARG 206.A NH2 GLU 332.A OE1 no hydrogen 3.387 N/A PHE 207.A N LYS 215.A O no hydrogen 3.027 N/A VAL 208.A N GLY 327.A O no hydrogen 2.859 N/A LYS 209.A N SER 213.A O no hydrogen 2.982 N/A GLY 212.A N LYS 209.A O no hydrogen 2.743 N/A SER 213.A N ASP 211.A OD1 no hydrogen 2.862 N/A SER 213.A OG ASP 211.A OD1 no hydrogen 2.892 N/A SER 214.A OG GLU 271.A OE2 no hydrogen 2.626 N/A LYS 215.A N PHE 207.A O no hydrogen 3.059 N/A LYS 215.A NZ ASP 270.A OD1 no hydrogen 2.867 N/A LEU 216.A N VAL 269.A O no hydrogen 2.873 N/A ILE 217.A N PHE 205.A O no hydrogen 2.795 N/A LYS 218.A N GLN 267.A O no hydrogen 3.202 N/A LYS 218.A NZ VAL 202.A O no hydrogen 3.401 N/A LYS 218.A NZ THR 204.A OG1 no hydrogen 2.641 N/A HIS 220.A N CYS 265.A O no hydrogen 2.821 N/A HIS 220.A NE2 GLN 267.A OE1 no hydrogen 3.103 N/A PHE 221.A N GLY 199.A O no hydrogen 2.682 N/A LYS 222.A N ASP 263.A O no hydrogen 2.875 N/A LYS 222.A NZ ASP 198.A OD2 no hydrogen 3.182 N/A SER 223.A N ASP 198.A OD1 no hydrogen 2.665 N/A SER 223.A OG ARG 195.A O no hydrogen 2.715 N/A SER 223.A OG GLY 226.A O no hydrogen 3.434 N/A ARG 224.A N GLU 261.A O no hydrogen 3.069 N/A ARG 224.A NE ASP 263.A OD2 no hydrogen 3.373 N/A ARG 224.A NH1 GLU 261.A OE1 no hydrogen 3.221 N/A ARG 224.A NH2 ASP 263.A OD1 no hydrogen 3.285 N/A GLN 225.A N SER 223.A OG no hydrogen 2.994 N/A GLN 225.A NE2 ARG 195.A O no hydrogen 2.867 N/A GLN 225.A NE2 GLU 261.A O no hydrogen 3.193 N/A GLY 226.A N SER 223.A O no hydrogen 3.477 N/A ALA 228.A N HIS 196.A O no hydrogen 3.456 N/A LEU 230.A N ILE 190.A O no hydrogen 2.903 N/A VAL 231.A N GLU 234.A OE1 no hydrogen 3.028 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.798 N/A GLU 234.A N VAL 231.A O no hydrogen 2.958 N/A ALA 235.A N VAL 231.A O no hydrogen 2.927 N/A GLN 236.A N TRP 232.A O no hydrogen 2.906 N/A LEU 238.A N GLU 234.A O no hydrogen 2.903 N/A SER 239.A N ALA 235.A O no hydrogen 2.932 N/A SER 239.A OG THR 106.A OG1 no hydrogen 2.895 N/A SER 239.A OG ALA 235.A O no hydrogen 2.951 N/A GLY 240.A N VAL 237.A O no hydrogen 2.965 N/A LYS 241.A N VAL 237.A O no hydrogen 2.882 N/A ASN 242.A N LEU 238.A O no hydrogen 2.588 N/A ASP 244.A N ASN 242.A OD1 no hydrogen 3.130 N/A PHE 245.A N ASN 242.A O no hydrogen 3.024 N/A HIS 246.A NE2 PRO 191.A O no hydrogen 3.043 N/A ARG 247.A N ASP 105.A OD2 no hydrogen 3.105 N/A GLN 248.A N ASP 244.A O no hydrogen 2.856 N/A GLN 248.A NE2.A GLN 248.A O no hydrogen 3.461 N/A GLN 248.A NE2.A ASP 252.A OD1 no hydrogen 2.818 N/A ASP 249.A N PHE 245.A O no hydrogen 2.892 N/A LEU 250.A N HIS 246.A O no hydrogen 3.073 N/A TRP 251.A N ARG 247.A O no hydrogen 3.069 N/A ASP 252.A N GLN 248.A O no hydrogen 2.858 N/A ALA 253.A N ASP 249.A O no hydrogen 2.858 N/A ILE 254.A N LEU 250.A O no hydrogen 3.205 N/A GLU 255.A N TRP 251.A O no hydrogen 2.988 N/A SER 256.A N ASP 252.A O no hydrogen 3.118 N/A SER 256.A OG ASP 252.A O no hydrogen 3.237 N/A SER 256.A OG ALA 253.A O no hydrogen 3.213 N/A SER 256.A OG ASN 258.A OD1 no hydrogen 3.271 N/A GLY 257.A N ILE 254.A O no hydrogen 3.209 N/A ASN 258.A N ALA 253.A O no hydrogen 2.823 N/A GLU 261.A N GLN 225.A OE1 no hydrogen 2.605 N/A TRP 262.A N LEU 301.A O no hydrogen 2.933 N/A TRP 262.A NE1 MET 197.A O no hydrogen 2.971 N/A ASP 263.A N LYS 222.A O no hydrogen 2.840 N/A VAL 264.A N GLY 299.A O no hydrogen 2.986 N/A CYS 265.A N HIS 220.A O no hydrogen 2.739 N/A CYS 265.A SG ASP 263.A O no hydrogen 3.634 N/A VAL 266.A N THR 296.A O no hydrogen 2.926 N/A GLN 267.A N LYS 218.A O no hydrogen 2.984 N/A GLN 267.A NE2 ILE 288.A O no hydrogen 2.994 N/A GLN 267.A NE2 ALA 293.A O no hydrogen 2.897 N/A VAL 269.A N LEU 216.A O no hydrogen 2.970 N/A ASP 270.A N GLN 273.A OE1 no hydrogen 3.064 N/A GLN 273.A N ASP 270.A O no hydrogen 2.875 N/A ALA 274.A N GLU 271.A O no hydrogen 3.211 N/A ALA 276.A N GLN 273.A O no hydrogen 3.199 N/A LEU 281.A N ALA 274.A O no hydrogen 3.114 N/A LEU 282.A N ASP 280.A OD1 no hydrogen 3.092 N/A ASP 283.A N ASP 280.A O no hydrogen 3.063 N/A THR 285.A N ASP 283.A OD1 no hydrogen 2.925 N/A THR 285.A OG1 ASP 283.A OD1 no hydrogen 2.682 N/A THR 285.A OG1 ASP 283.A OD2 no hydrogen 3.083 N/A LYS 286.A N ASP 283.A O no hydrogen 3.364 N/A LYS 286.A NZ ASP 283.A OD2 no hydrogen 2.839 N/A LYS 286.A NZ THR 285.A OG1 no hydrogen 3.099 N/A LYS 286.A NZ ASP 431.A O no hydrogen 2.900 N/A TYR 292.A N PRO 289.A O no hydrogen 2.912 N/A THR 296.A N VAL 266.A O no hydrogen 2.766 N/A LYS 297.A NZ.B ASP 263.A OD1 no hydrogen 3.261 N/A LEU 298.A N VAL 264.A O no hydrogen 2.800 N/A LEU 300.A N THR 67.A O no hydrogen 2.772 N/A LEU 301.A N TRP 262.A O no hydrogen 2.942 N/A LYS 302.A N THR 65.A O no hydrogen 2.940 N/A LYS 302.A NZ GLY 259.A O no hydrogen 3.150 N/A LYS 302.A NZ GLU 261.A OE2 no hydrogen 3.287 N/A LEU 303.A N PRO 260.A O no hydrogen 3.138 N/A ASP 304.A N HIS 63.A O no hydrogen 2.952 N/A ARG 305.A N HIS 63.A O no hydrogen 2.965 N/A ASN 306.A ND2 TRP 251.A O no hydrogen 3.150 N/A ASN 306.A ND2 GLU 255.A OE2 no hydrogen 2.871 N/A THR 308.A N GLU 313.A OE2 no hydrogen 2.692 N/A THR 308.A OG1 GLU 1.A OE2 no hydrogen 3.193 N/A ASN 309.A N GLU 313.A OE2 no hydrogen 2.889 N/A TYR 310.A OH GLY 59.A O no hydrogen 2.651 N/A ALA 312.A N ASN 309.A OD1 no hydrogen 2.703 N/A GLU 313.A N ASN 309.A O no hydrogen 3.027 N/A GLU 315.A N TYR 310.A O no hydrogen 3.059 N/A GLN 316.A N PHE 311.A O no hydrogen 3.114 N/A GLN 316.A NE2 ALA 312.A O no hydrogen 3.063 N/A VAL 317.A N GLU 313.A O no hydrogen 3.110 N/A MET 318.A N ASN 362.A OD1 no hydrogen 2.825 N/A GLN 320.A N ASP 125.A OD2 no hydrogen 2.996 N/A HIS 323.A N GLN 320.A O no hydrogen 3.005 N/A HIS 323.A ND1 ASP 125.A OD2 no hydrogen 2.593 N/A HIS 323.A NE2 GLU 357.A OE2 no hydrogen 2.804 N/A ILE 324.A N GLY 322.A O no hydrogen 2.989 N/A ARG 326.A NE ASP 210.A OD1 no hydrogen 3.027 N/A ARG 326.A NH1 ASN 402.A O no hydrogen 3.138 N/A ARG 326.A NH1 GLN 403.A O no hydrogen 2.879 N/A ARG 326.A NH1 GLY 408.A O no hydrogen 2.952 N/A ARG 326.A NH2 ASP 210.A OD1 no hydrogen 2.914 N/A ARG 326.A NH2 GLN 403.A O no hydrogen 2.808 N/A ILE 328.A N VAL 325.A O no hydrogen 3.174 N/A ASP 329.A N ARG 206.A O no hydrogen 2.878 N/A PHE 330.A N ASP 329.A OD1 no hydrogen 2.771 N/A THR 331.A OG1 THR 204.A O no hydrogen 2.704 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.760 N/A LEU 335.A N ASP 333.A OD1 no hydrogen 2.777 N/A LEU 336.A N ASP 333.A OD1 no hydrogen 3.245 N/A GLN 337.A N ASP 333.A O no hydrogen 2.918 N/A GLN 337.A NE2 THR 331.A O no hydrogen 3.028 N/A ARG 339.A N LEU 335.A O no hydrogen 3.273 N/A ARG 339.A NE TYR 343.A OH no hydrogen 3.038 N/A ARG 339.A NH1 HIS 203.A NE2 no hydrogen 2.828 N/A ARG 339.A NH2 VAL 127.A O no hydrogen 2.988 N/A ARG 339.A NH2 TYR 343.A OH no hydrogen 2.873 N/A LEU 340.A N LEU 336.A O no hydrogen 3.321 N/A LEU 340.A N GLN 337.A O no hydrogen 3.330 N/A SER 342.A N GLY 338.A O no hydrogen 3.325 N/A TYR 343.A N ARG 339.A O no hydrogen 3.305 N/A ASP 345.A N PHE 341.A O no hydrogen 3.211 N/A THR 346.A N SER 342.A O no hydrogen 2.866 N/A LEU 348.A N ASP 345.A O no hydrogen 3.111 N/A ARG 350.A N THR 346.A O no hydrogen 3.117 N/A ARG 350.A NH2 GLU 315.A O no hydrogen 2.936 N/A ARG 350.A NH2 VAL 317.A O no hydrogen 2.894 N/A ASN 351.A N GLN 347.A O no hydrogen 2.744 N/A ASN 351.A ND2 GLY 353.A O no hydrogen 3.098 N/A GLY 352.A N LEU 348.A O no hydrogen 2.813 N/A ASN 355.A ND2 ASP 374.A O no hydrogen 2.950 N/A ASN 355.A ND2 ALA 376.A O no hydrogen 3.053 N/A GLN 358.A N ASN 355.A O no hydrogen 2.992 N/A GLN 358.A NE2 GLN 378.A OE1 no hydrogen 2.881 N/A LEU 359.A N PHE 356.A O no hydrogen 3.222 N/A ASN 362.A N LEU 359.A O no hydrogen 2.617 N/A ASN 362.A ND2 GLN 316.A O no hydrogen 3.406 N/A ASN 362.A ND2 PHE 356.A O no hydrogen 3.036 N/A MET 363.A N LEU 359.A O no hydrogen 3.064 N/A MET 363.A N PRO 360.A O no hydrogen 3.303 N/A ASN 372.A N ASN 370.A OD1 no hydrogen 3.058 N/A ARG 373.A NH1 ASN 370.A O no hydrogen 2.928 N/A ARG 373.A NH1 ASN 372.A O no hydrogen 3.020 N/A ARG 373.A NH2 ASN 384.A O no hydrogen 3.061 N/A GLN 378.A N GLY 375.A O no hydrogen 3.220 N/A GLN 378.A NE2 ASP 374.A O no hydrogen 2.884 N/A MET 379.A N GLN 358.A OE1 no hydrogen 2.744 N/A PHE 380.A N GLN 378.A OE1 no hydrogen 2.788 N/A ASN 384.A ND2 TYR 386.A O no hydrogen 3.621 N/A TYR 386.A N ASN 384.A OD1 no hydrogen 2.821 N/A TYR 388.A N TYR 386.A O no hydrogen 2.852 N/A ASN 391.A ND2 TYR 388.A O no hydrogen 3.035 N/A ASN 391.A ND2 TYR 397.A O no hydrogen 3.094 N/A ASN 394.A N ASN 391.A OD1 no hydrogen 2.897 N/A ASN 394.A ND2 TYR 397.A O no hydrogen 3.160 N/A SER 395.A N THR 392.A O no hydrogen 2.842 N/A GLY 396.A N ASN 391.A OD1 no hydrogen 2.888 N/A TYR 397.A N ASN 394.A O no hydrogen 3.121 N/A ARG 399.A NH1.A SER 395.A O no hydrogen 3.483 N/A ASN 402.A N ALA 405.A O no hydrogen 2.971 N/A GLN 403.A NE2 ASP 210.A O no hydrogen 3.652 N/A ASN 404.A N ASN 402.A OD1 no hydrogen 3.202 N/A ALA 405.A N ASN 402.A OD1 no hydrogen 2.940 N/A ARG 407.A NH1 GLU 121.A OE2 no hydrogen 2.902 N/A GLY 408.A N ALA 405.A O no hydrogen 3.257 N/A ALA 412.A N ASP 329.A OD2 no hydrogen 3.035 N/A ARG 415.A N ALA 412.A O no hydrogen 3.321 N/A ARG 415.A NE GLU 332.A OE2 no hydrogen 2.984 N/A ARG 415.A NH1 ASP 329.A OD2 no hydrogen 2.752 N/A ARG 415.A NH2 GLU 332.A OE2 no hydrogen 2.992 N/A SER 426.A OG THR 428.A OG1 no hydrogen 2.610 N/A THR 428.A N SER 426.A OG no hydrogen 3.054 N/A THR 428.A OG1 ASP 280.A OD2 no hydrogen 2.599 N/A THR 428.A OG1 SER 426.A OG no hydrogen 2.610 N/A PHE 429.A N SER 426.A O no hydrogen 3.145 N/A ASN 430.A N PRO 427.A O no hydrogen 3.243 N/A TRP 433.A N ASP 431.A OD1 no hydrogen 2.893 N/A TRP 433.A NE1 GLN 474.A OE1 no hydrogen 2.699 N/A SER 434.A N ASP 431.A OD1 no hydrogen 2.994 N/A SER 434.A OG ASP 431.A OD1 no hydrogen 2.955 N/A SER 434.A OG ASP 431.A OD2 no hydrogen 2.233 N/A ARG 437.A N TRP 433.A O no hydrogen 3.304 N/A ARG 437.A NH1 VAL 478.A O no hydrogen 2.930 N/A LEU 438.A N SER 434.A O no hydrogen 2.837 N/A PHE 439.A N GLN 435.A O no hydrogen 2.806 N/A PHE 440.A N PRO 436.A O no hydrogen 2.876 N/A ASN 441.A N ARG 437.A O no hydrogen 2.798 N/A SER 442.A N PHE 439.A O no hydrogen 3.130 N/A SER 442.A OG LEU 438.A O no hydrogen 2.554 N/A LEU 443.A N PHE 440.A O no hydrogen 3.184 N/A THR 444.A N GLU 447.A OE1 no hydrogen 3.058 N/A GLU 447.A N THR 444.A OG1 no hydrogen 3.261 N/A GLN 448.A N THR 444.A O no hydrogen 2.924 N/A GLN 448.A NE2 PHE 440.A O no hydrogen 3.031 N/A GLN 449.A N PRO 445.A O no hydrogen 3.108 N/A GLN 449.A NE2 ASN 453.A OD1 no hydrogen 2.896 N/A GLN 449.A NE2 ASP 669.A OD2 no hydrogen 3.360 N/A PHE 450.A N VAL 446.A O no hydrogen 2.836 N/A LEU 451.A N GLU 447.A O no hydrogen 3.006 N/A VAL 452.A N GLN 448.A O no hydrogen 2.954 N/A ASN 453.A N GLN 449.A O no hydrogen 2.749 N/A ALA 454.A N PHE 450.A O no hydrogen 2.800 N/A MET 455.A N LEU 451.A O no hydrogen 3.023 N/A ARG 456.A N VAL 452.A O no hydrogen 2.746 N/A ARG 456.A NE ARG 485.A O no hydrogen 2.957 N/A ARG 456.A NH1 ASN 453.A OD1 no hydrogen 3.369 N/A ARG 456.A NH1 ASP 669.A OD1 no hydrogen 3.041 N/A ARG 456.A NH2 ARG 485.A O no hydrogen 2.889 N/A ARG 456.A NH2 ASP 669.A OD1 no hydrogen 2.994 N/A PHE 457.A N ASN 453.A O no hydrogen 2.883 N/A GLU 458.A N ALA 454.A O no hydrogen 3.045 N/A ILE 459.A N MET 455.A O no hydrogen 2.874 N/A SER 460.A N ARG 456.A O no hydrogen 3.158 N/A SER 460.A OG ARG 456.A O no hydrogen 3.001 N/A SER 460.A OG PHE 457.A O no hydrogen 2.796 N/A LEU 461.A N GLU 458.A O no hydrogen 2.823 N/A VAL 462.A N ILE 459.A O no hydrogen 3.039 N/A LYS 463.A N ASP 165.A OD1 no hydrogen 2.936 N/A SER 464.A N ASP 165.A OD2 no hydrogen 3.012 N/A VAL 467.A N SER 464.A OG no hydrogen 3.057 N/A LYS 468.A N SER 464.A O no hydrogen 3.175 N/A LYS 469.A N GLU 465.A O no hydrogen 3.094 N/A ASN 470.A N GLU 466.A O no hydrogen 3.078 N/A VAL 471.A N VAL 467.A O no hydrogen 2.906 N/A LEU 472.A N LYS 468.A O no hydrogen 2.973 N/A THR 473.A N LYS 469.A O no hydrogen 2.954 N/A THR 473.A OG1 LYS 469.A O no hydrogen 3.053 N/A GLN 474.A N ASN 470.A O no hydrogen 3.190 N/A GLN 474.A NE2 SER 172.A O no hydrogen 3.234 N/A LEU 475.A N VAL 471.A O no hydrogen 2.916 N/A ASN 476.A N LEU 472.A O no hydrogen 2.812 N/A ASN 476.A ND2 ASP 496.A O no hydrogen 3.138 N/A ARG 477.A N THR 473.A O no hydrogen 3.365 N/A VAL 478.A N LEU 475.A O no hydrogen 2.939 N/A SER 479.A N LEU 475.A O no hydrogen 3.033 N/A HIS 480.A ND1 ASN 476.A OD1 no hydrogen 3.086 N/A VAL 482.A N SER 479.A OG no hydrogen 3.053 N/A ALA 483.A N SER 479.A O no hydrogen 3.087 N/A VAL 484.A N HIS 480.A O no hydrogen 2.851 N/A ARG 485.A N ASP 481.A O no hydrogen 2.912 N/A ARG 485.A NE ASP 669.A OD2 no hydrogen 2.700 N/A ARG 485.A NH1 ASP 481.A OD2 no hydrogen 3.277 N/A ARG 485.A NH2 GLN 449.A OE1 no hydrogen 2.603 N/A ARG 485.A NH2 ASP 669.A OD2 no hydrogen 3.264 N/A VAL 486.A N VAL 482.A O no hydrogen 2.856 N/A ALA 487.A N ALA 483.A O no hydrogen 2.684 N/A ALA 488.A N VAL 484.A O no hydrogen 3.012 N/A ALA 489.A N VAL 486.A O no hydrogen 2.975 N/A ILE 490.A N ALA 487.A O no hydrogen 3.146 N/A LEU 492.A N ALA 487.A O no hydrogen 3.170 N/A ASP 498.A N TYR 502.A OH no hydrogen 2.930 N/A THR 500.A N ASP 498.A OD1 no hydrogen 3.015 N/A THR 500.A OG1 ASP 498.A OD1 no hydrogen 2.806 N/A TYR 502.A N ASP 499.A O no hydrogen 3.264 N/A TYR 502.A OH ASN 476.A O no hydrogen 2.834 N/A HIS 503.A NE2 SER 434.A O no hydrogen 3.050 N/A ASN 505.A N HIS 503.A ND1 no hydrogen 3.063 N/A THR 507.A N SER 442.A OG no hydrogen 2.838 N/A THR 507.A OG1 GLU 291.A OE1 no hydrogen 2.836 N/A THR 507.A OG1 ALA 508.A O no hydrogen 3.497 N/A ALA 508.A N GLU 291.A OE2 no hydrogen 3.120 N/A SER 511.A OG GLU 447.A OE1 no hydrogen 2.633 N/A SER 511.A OG GLU 447.A OE2 no hydrogen 3.492 N/A ILE 512.A N GLU 447.A OE2 no hydrogen 2.602 N/A VAL 513.A N GLU 447.A OE2 no hydrogen 2.715 N/A GLY 514.A N SER 511.A OG no hydrogen 2.976 N/A SER 515.A N ILE 512.A O no hydrogen 3.166 N/A SER 515.A OG ILE 512.A O no hydrogen 2.985 N/A LEU 518.A N ALA 658.A O no hydrogen 2.873 N/A LYS 522.A N THR 520.A OG1 no hydrogen 3.060 N/A THR 523.A N GLY 552.A O no hydrogen 2.852 N/A THR 523.A OG1 LYS 522.A O no hydrogen 2.597 N/A LEU 524.A N ILE 521.A O no hydrogen 3.216 N/A ARG 525.A N ASP 579.A OD2 no hydrogen 2.778 N/A ARG 525.A NE ASP 579.A OD2 no hydrogen 3.028 N/A ARG 525.A NH1 THR 576.A O no hydrogen 2.966 N/A ARG 525.A NH2 THR 576.A O no hydrogen 3.547 N/A ARG 525.A NH2 ASP 579.A OD1 no hydrogen 3.133 N/A VAL 526.A N VAL 554.A O no hydrogen 2.824 N/A GLY 527.A N GLY 580.A O no hydrogen 3.022 N/A ILE 528.A N THR 556.A O no hydrogen 2.742 N/A LEU 529.A N VAL 582.A O no hydrogen 2.708 N/A ALA 530.A N VAL 558.A O no hydrogen 2.758 N/A THR 531.A OG1 SER 533.A OG no hydrogen 3.028 N/A THR 531.A OG1 GLU 560.A OE1 no hydrogen 3.351 N/A THR 531.A OG1 GLU 560.A OE2 no hydrogen 2.706 N/A THR 532.A N GLU 560.A OE1 no hydrogen 2.827 N/A THR 532.A OG1 GLU 560.A OE1 no hydrogen 3.066 N/A SER 533.A N THR 531.A OG1 no hydrogen 3.158 N/A SER 533.A OG THR 531.A OG1 no hydrogen 3.028 N/A ALA 537.A N GLU 534.A O no hydrogen 3.243 N/A GLN 540.A N SER 536.A O no hydrogen 3.000 N/A ALA 541.A N ALA 537.A O no hydrogen 3.104 N/A ALA 542.A N LEU 538.A O no hydrogen 2.918 N/A GLN 543.A N ASP 539.A O no hydrogen 3.264 N/A GLN 543.A N GLN 540.A O no hydrogen 3.122 N/A LEU 544.A N GLN 540.A O no hydrogen 3.017 N/A ARG 545.A N ALA 541.A O no hydrogen 2.865 N/A ARG 545.A NH1 GLU 549.A OE2 no hydrogen 3.096 N/A ARG 545.A NH1 VAL 555.A O no hydrogen 3.562 N/A ARG 545.A NH1 ASP 567.A OD2 no hydrogen 3.332 N/A ARG 545.A NH2 GLY 565.A O no hydrogen 2.832 N/A ARG 545.A NH2 ASP 567.A OD1 no hydrogen 3.510 N/A ARG 545.A NH2 ASP 567.A OD2 no hydrogen 2.740 N/A THR 546.A N ALA 542.A O no hydrogen 3.264 N/A THR 546.A OG1 ALA 542.A O no hydrogen 3.165 N/A ARG 547.A N GLN 543.A O no hydrogen 3.299 N/A LEU 548.A N LEU 544.A O no hydrogen 2.769 N/A GLU 549.A N ARG 545.A O no hydrogen 2.853 N/A LYS 550.A N ARG 547.A O no hydrogen 3.293 N/A ASP 551.A N LEU 548.A O no hydrogen 2.852 N/A GLY 552.A N GLU 549.A O no hydrogen 3.354 N/A VAL 554.A N LEU 524.A O no hydrogen 2.900 N/A THR 556.A N VAL 526.A O no hydrogen 2.948 N/A VAL 557.A N ASP 567.A OD2 no hydrogen 2.811 N/A VAL 558.A N ILE 528.A O no hydrogen 2.835 N/A ALA 559.A N GLN 568.A O no hydrogen 3.401 N/A GLU 560.A N GLU 560.A OE1 no hydrogen 2.779 N/A VAL 566.A N ARG 563.A O no hydrogen 2.906 N/A ASP 567.A N VAL 557.A O no hydrogen 3.018 N/A GLN 568.A N VAL 557.A O no hydrogen 3.440 N/A TYR 570.A N ALA 559.A O no hydrogen 2.977 N/A TYR 570.A OH ALA 530.A O no hydrogen 2.699 N/A THR 572.A N THR 569.A O no hydrogen 2.931 N/A THR 572.A N THR 569.A OG1 no hydrogen 3.361 N/A THR 572.A OG1 GLN 568.A OE1 no hydrogen 2.832 N/A THR 572.A OG1 THR 569.A O no hydrogen 3.254 N/A ALA 573.A N TYR 570.A O no hydrogen 3.394 N/A THR 576.A N ASP 574.A OD2 no hydrogen 2.945 N/A THR 576.A OG1 ASP 574.A OD2 no hydrogen 2.489 N/A GLY 577.A N ASP 574.A O no hydrogen 3.073 N/A PHE 578.A N ALA 575.A O no hydrogen 2.877 N/A ASP 579.A N ARG 525.A O no hydrogen 2.686 N/A GLY 580.A N ARG 525.A O no hydrogen 3.338 N/A VAL 581.A N PRO 616.A O no hydrogen 3.134 N/A VAL 582.A N GLY 527.A O no hydrogen 2.812 N/A VAL 583.A N GLY 618.A O no hydrogen 2.872 N/A VAL 584.A N LEU 529.A O no hydrogen 3.386 N/A ASP 585.A N CYS 620.A O no hydrogen 3.034 N/A GLY 586.A N GLN 540.A OE1 no hydrogen 3.190 N/A ALA 587.A N VAL 584.A O no hydrogen 3.063 N/A ALA 588.A N ASP 585.A O no hydrogen 3.205 N/A LEU 590.A N ALA 587.A O no hydrogen 2.900 N/A PHE 591.A N ALA 588.A O no hydrogen 3.162 N/A ALA 592.A N ALA 588.A O no hydrogen 3.313 N/A LEU 597.A N SER 595.A OG no hydrogen 3.047 N/A ARG 602.A N PRO 599.A O no hydrogen 3.329 N/A ARG 602.A NH1 TYR 570.A O no hydrogen 2.824 N/A ARG 602.A NH1 SER 571.A O no hydrogen 2.887 N/A GLN 605.A N GLY 601.A O no hydrogen 2.832 N/A ILE 606.A N ARG 602.A O no hydrogen 2.892 N/A PHE 607.A N PRO 603.A O no hydrogen 3.491 N/A VAL 608.A N LEU 604.A O no hydrogen 2.823 N/A ASP 609.A N GLN 605.A O no hydrogen 2.899 N/A ALA 610.A N ILE 606.A O no hydrogen 2.963 N/A TYR 611.A N PHE 607.A O no hydrogen 2.993 N/A ARG 612.A N VAL 608.A O no hydrogen 2.908 N/A TRP 613.A N ASP 609.A O no hydrogen 2.874 N/A GLY 614.A N TYR 611.A O no hydrogen 3.014 N/A LYS 615.A N ALA 610.A O no hydrogen 3.020 N/A LYS 615.A NZ GLU 234.A OE2 no hydrogen 2.941 N/A LYS 615.A NZ ALA 575.A O no hydrogen 3.098 N/A LYS 615.A NZ PHE 578.A O no hydrogen 2.543 N/A VAL 617.A N GLY 639.A O no hydrogen 3.080 N/A GLY 618.A N VAL 581.A O no hydrogen 3.056 N/A VAL 619.A N TYR 641.A O no hydrogen 3.014 N/A CYS 620.A N VAL 583.A O no hydrogen 2.970 N/A GLY 621.A N GLU 643.A O no hydrogen 3.022 N/A SER 624.A OG GLY 621.A O no hydrogen 3.164 N/A SER 624.A OG SER 642.A OG no hydrogen 2.688 N/A GLU 626.A N LYS 623.A O no hydrogen 3.163 N/A VAL 627.A N LYS 623.A O no hydrogen 3.364 N/A ALA 631.A N VAL 627.A O no hydrogen 3.113 N/A VAL 633.A N LEU 628.A O no hydrogen 2.846 N/A ASP 636.A N ASP 636.A OD1 no hydrogen 2.632 N/A GLY 637.A N PRO 634.A O no hydrogen 3.118 N/A VAL 640.A N GLY 637.A O no hydrogen 3.001 N/A TYR 641.A N VAL 617.A O no hydrogen 2.884 N/A SER 642.A OG SER 624.A OG no hydrogen 2.688 N/A MET 648.A N SER 645.A O no hydrogen 3.004 N/A PHE 649.A N SER 645.A O no hydrogen 2.842 N/A VAL 650.A N VAL 646.A O no hydrogen 3.086 N/A GLU 651.A N ASP 647.A O no hydrogen 3.430 N/A GLU 652.A N MET 648.A O no hydrogen 3.171 N/A PHE 653.A N PHE 649.A O no hydrogen 2.758 N/A GLU 654.A N VAL 650.A O no hydrogen 2.761 N/A LYS 655.A N GLU 652.A O no hydrogen 3.158 N/A LYS 655.A NZ GLU 652.A OE2 no hydrogen 3.293 N/A LEU 657.A N PHE 653.A O no hydrogen 2.979 N/A ALA 658.A N GLU 654.A O no hydrogen 3.324 N/A THR 659.A N LYS 655.A O no hydrogen 3.126 N/A THR 659.A OG1 LYS 655.A O no hydrogen 2.868 N/A PHE 660.A N GLY 656.A O no hydrogen 2.721 N/A ARG 661.A N THR 659.A O no hydrogen 2.758 N/A ARG 661.A NE SER 229.A O no hydrogen 3.269 N/A PHE 662.A N GLY 614.A O no hydrogen 2.719 N/A ARG 665.A NH1 TYR 611.A O no hydrogen 2.659 N/A ARG 665.A NH1 LYS 615.A O no hydrogen 2.918 N/A ARG 665.A NH2 LYS 615.A O no hydrogen 3.298 N/A ARG 665.A NH2 ASP 638.A O no hydrogen 2.991 N/A ASP 669.A N GLN 449.A OE1 no hydrogen 3.075 N/A