Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fwx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ALA 1.A O no hydrogen 2.688 N/A SER 4.A OG ASP 2.A OD2 no hydrogen 3.051 N/A GLN 9.A N ALA 6.A O no hydrogen 2.922 N/A ASP 12.A N ILE 30.A O no hydrogen 2.838 N/A TYR 13.A N ILE 30.A O no hydrogen 3.029 N/A TYR 13.A OH ASP 398.A OD2 no hydrogen 2.650 N/A TYR 14.A N VAL 450.A O no hydrogen 2.966 N/A GLY 15.A N LEU 28.A O no hydrogen 2.826 N/A PHE 16.A N ILE 448.A O no hydrogen 2.779 N/A TRP 17.A N ARG 26.A O no hydrogen 2.712 N/A TRP 17.A NE1 ASP 422.A OD2 no hydrogen 2.903 N/A SER 18.A N ASP 446.A O no hydrogen 3.207 N/A SER 18.A OG HIS 86.A O no hydrogen 3.088 N/A SER 18.A OG ASP 446.A O no hydrogen 2.715 N/A SER 19.A N LEU 85.A O no hydrogen 3.306 N/A SER 19.A OG GLU 24.A O no hydrogen 2.601 N/A GLY 20.A N LEU 85.A O no hydrogen 2.735 N/A GLN 21.A N GLN 21.A OE1 no hydrogen 2.602 N/A SER 22.A N SER 19.A O no hydrogen 3.149 N/A GLY 23.A N GLY 20.A O no hydrogen 2.915 N/A GLU 24.A N SER 19.A OG no hydrogen 2.902 N/A MET 25.A N VAL 39.A O no hydrogen 2.954 N/A ARG 26.A N TRP 17.A O no hydrogen 3.005 N/A ARG 26.A NE GLU 24.A OE2 no hydrogen 2.773 N/A ARG 26.A NH1 PHE 441.A O no hydrogen 3.058 N/A ARG 26.A NH2 GLU 24.A OE2 no hydrogen 3.338 N/A ARG 26.A NH2 PHE 441.A O no hydrogen 3.110 N/A ILE 27.A N MET 37.A O no hydrogen 2.839 N/A LEU 28.A N GLY 15.A O no hydrogen 2.789 N/A GLY 29.A N ARG 34.A O no hydrogen 2.880 N/A ILE 30.A N TYR 13.A O no hydrogen 2.980 N/A SER 32.A N ASP 11.A OD2 no hydrogen 3.095 N/A SER 32.A OG ASP 11.A OD1 no hydrogen 3.353 N/A SER 32.A OG ASP 11.A OD2 no hydrogen 2.591 N/A SER 32.A OG GLY 29.A O no hydrogen 3.386 N/A MET 33.A N GLY 29.A O no hydrogen 2.641 N/A ARG 34.A N SER 32.A OG no hydrogen 3.290 N/A ARG 34.A NE SER 32.A OG no hydrogen 2.781 N/A ARG 34.A NH2 ASP 11.A OD1 no hydrogen 2.878 N/A LEU 36.A N ILE 27.A O no hydrogen 2.665 N/A MET 37.A N ILE 27.A O no hydrogen 3.096 N/A ARG 38.A NE GLU 35.A OE1 no hydrogen 2.805 N/A VAL 39.A N MET 25.A O no hydrogen 2.789 N/A PHE 42.A N GLY 23.A O no hydrogen 2.895 N/A ASN 43.A ND2 GLY 23.A O no hydrogen 3.226 N/A ARG 44.A NH1 TRP 50.A O no hydrogen 3.182 N/A CYS 45.A N TRP 50.A O no hydrogen 2.955 N/A CYS 45.A SG THR 48.A OG1 no hydrogen 3.151 N/A GLY 49.A N CYS 45.A O no hydrogen 3.036 N/A TRP 50.A N THR 48.A OG1 no hydrogen 3.401 N/A TRP 50.A NE1 VAL 41.A O no hydrogen 2.849 N/A GLY 51.A N SER 56.A OG no hydrogen 2.946 N/A GLN 52.A N GLY 49.A O no hydrogen 2.860 N/A GLN 52.A NE2 GLY 544.A O no hydrogen 3.002 N/A THR 53.A N GLY 49.A O no hydrogen 2.982 N/A THR 53.A OG1 GLY 49.A O no hydrogen 3.465 N/A THR 53.A OG1 SER 56.A OG no hydrogen 2.775 N/A ASN 54.A N SER 556.A O no hydrogen 2.871 N/A SER 56.A N THR 53.A OG1 no hydrogen 3.376 N/A SER 56.A OG THR 53.A O no hydrogen 2.989 N/A SER 56.A OG THR 53.A OG1 no hydrogen 2.775 N/A VAL 57.A N THR 53.A O no hydrogen 2.970 N/A ARG 58.A N ASN 54.A O no hydrogen 3.125 N/A HIS 60.A N SER 56.A O no hydrogen 3.017 N/A GLU 61.A N VAL 57.A O no hydrogen 2.792 N/A ARG 62.A N ARG 58.A O no hydrogen 3.068 N/A ARG 62.A NH1 LYS 182.A O no hydrogen 3.540 N/A ARG 62.A NH1 TRP 183.A O no hydrogen 3.398 N/A ARG 62.A NH2 ILE 125.A O no hydrogen 3.028 N/A ARG 62.A NH2 TRP 183.A O no hydrogen 2.922 N/A THR 63.A OG1 ILE 125.A O no hydrogen 3.532 N/A MET 64.A N GLU 61.A O no hydrogen 3.330 N/A SER 65.A N GLU 127.A OE1 no hydrogen 3.106 N/A SER 65.A OG THR 68.A OG1 no hydrogen 3.089 N/A SER 65.A OG GLU 127.A OE2 no hydrogen 2.872 N/A ARG 67.A NH1 ASN 160.A O no hydrogen 3.324 N/A ARG 67.A NH2 ASN 160.A O no hydrogen 3.066 N/A THR 68.A N SER 65.A OG no hydrogen 3.119 N/A THR 68.A OG1 SER 65.A OG no hydrogen 3.089 N/A THR 68.A OG1 GLU 127.A OE1 no hydrogen 3.124 N/A THR 68.A OG1 GLU 127.A OE2 no hydrogen 3.121 N/A LYS 69.A N SER 65.A O no hydrogen 2.940 N/A LYS 70.A N GLU 66.A O no hydrogen 2.741 N/A PHE 71.A N ARG 67.A O no hydrogen 2.945 N/A LEU 72.A N THR 68.A O no hydrogen 2.905 N/A ALA 73.A N LYS 69.A O no hydrogen 3.068 N/A ALA 74.A N LYS 70.A O no hydrogen 3.224 N/A ASN 75.A N LEU 72.A O no hydrogen 2.829 N/A GLY 76.A N ALA 73.A O no hydrogen 3.169 N/A LYS 77.A N LEU 72.A O no hydrogen 2.884 N/A LYS 77.A NZ ASP 81.A OD1 no hydrogen 3.374 N/A ARG 78.A NE GLU 61.A OE1 no hydrogen 2.745 N/A ARG 78.A NH2 GLU 61.A OE2 no hydrogen 3.102 N/A ASP 84.A N ASP 106.A OD1 no hydrogen 2.880 N/A LEU 85.A N GLY 20.A O no hydrogen 2.839 N/A HIS 86.A NE2 ASP 84.A OD2 no hydrogen 2.759 N/A HIS 87.A ND1 HIS 135.A O no hydrogen 2.961 N/A HIS 89.A N PHE 103.A O no hydrogen 2.945 N/A SER 91.A N PHE 101.A O no hydrogen 2.947 N/A SER 91.A OG ASP 98.A OD1 no hydrogen 2.544 N/A SER 91.A OG PHE 101.A O no hydrogen 3.464 N/A PHE 92.A N SER 145.A OG no hydrogen 2.840 N/A THR 93.A N LYS 96.A O no hydrogen 2.887 N/A THR 93.A OG1 ASP 98.A OD2 no hydrogen 2.666 N/A GLU 94.A N PRO 143.A O no hydrogen 2.706 N/A GLY 95.A N LYS 141.A O no hydrogen 3.038 N/A LYS 96.A N THR 93.A O no hydrogen 3.307 N/A ASP 98.A N SER 91.A O no hydrogen 3.106 N/A ARG 100.A N ASP 98.A OD1 no hydrogen 3.056 N/A ARG 100.A NH1 ASP 98.A OD2 no hydrogen 3.040 N/A PHE 101.A N SER 91.A OG no hydrogen 2.909 N/A LEU 102.A N VAL 115.A O no hydrogen 2.946 N/A PHE 103.A N HIS 89.A O no hydrogen 2.638 N/A MET 104.A N ALA 113.A O no hydrogen 2.898 N/A ASP 106.A N ARG 111.A O no hydrogen 2.905 N/A LYS 107.A N ASP 84.A O no hydrogen 2.960 N/A LYS 107.A NZ GLU 153.A OE1 no hydrogen 2.672 N/A LYS 107.A NZ GLU 153.A OE2 no hydrogen 3.093 N/A ALA 108.A N ASP 106.A OD1 no hydrogen 3.031 N/A ASN 109.A N ASP 106.A OD1 no hydrogen 3.372 N/A ASN 109.A N ASP 106.A OD2 no hydrogen 2.974 N/A ASN 109.A ND2 ASN 82.A O no hydrogen 3.048 N/A ARG 111.A N ASP 106.A O no hydrogen 3.354 N/A ARG 111.A NE ASP 106.A OD2 no hydrogen 2.819 N/A ARG 111.A NH2 ASN 82.A O no hydrogen 2.878 N/A ARG 111.A NH2 ASP 106.A OD2 no hydrogen 2.888 N/A VAL 112.A N LEU 126.A O no hydrogen 2.985 N/A ALA 113.A N MET 104.A O no hydrogen 2.746 N/A ARG 114.A N ALA 124.A O no hydrogen 2.899 N/A ARG 114.A NE ASP 123.A OD2 no hydrogen 2.967 N/A ARG 114.A NH1 ALA 180.A O no hydrogen 2.977 N/A ARG 114.A NH1 ASP 181.A O no hydrogen 2.973 N/A ARG 114.A NH2 ASP 123.A OD1 no hydrogen 2.866 N/A VAL 115.A N LEU 102.A O no hydrogen 2.768 N/A ARG 116.A N LYS 121.A O no hydrogen 2.930 N/A ARG 116.A NE ASP 118.A OD1 no hydrogen 3.084 N/A ARG 116.A NH1 ASP 466.A OD1 no hydrogen 2.745 N/A ARG 116.A NH1 ASP 466.A OD2 no hydrogen 3.333 N/A ARG 116.A NH2 ASP 118.A OD1 no hydrogen 3.536 N/A ARG 116.A NH2 ASP 118.A OD2 no hydrogen 3.145 N/A ARG 116.A NH2 ASP 466.A OD2 no hydrogen 2.683 N/A CYS 117.A N ARG 100.A O no hydrogen 3.127 N/A LYS 121.A NZ GLU 548.A OE1 no hydrogen 2.928 N/A CYS 122.A SG ARG 114.A O no hydrogen 3.606 N/A CYS 122.A SG ALA 124.A O no hydrogen 3.675 N/A ASP 123.A N ARG 114.A O no hydrogen 2.919 N/A LEU 126.A N VAL 112.A O no hydrogen 2.905 N/A GLU 127.A N THR 63.A OG1 no hydrogen 2.899 N/A ILE 128.A N THR 110.A O no hydrogen 3.146 N/A ASN 130.A ND2 LEU 251.A O no hydrogen 3.141 N/A ALA 131.A N PRO 129.A O no hydrogen 2.732 N/A GLY 133.A N THR 110.A OG1 no hydrogen 3.047 N/A HIS 135.A N ASN 151.A O no hydrogen 2.942 N/A GLY 136.A N ASP 196.A O no hydrogen 2.961 N/A ARG 138.A N PHE 149.A O no hydrogen 2.959 N/A ARG 138.A NE GLU 391.A OE2 no hydrogen 2.786 N/A ARG 138.A NH1 CYS 198.A O no hydrogen 2.827 N/A ARG 138.A NH2 GLU 391.A OE2 no hydrogen 2.993 N/A GLN 140.A N TYR 147.A O no hydrogen 2.935 N/A GLN 140.A NE2 TRP 142.A O no hydrogen 2.855 N/A LYS 141.A NZ GLU 391.A O no hydrogen 2.841 N/A ARG 144.A NH1 ASP 181.A OD2 no hydrogen 2.982 N/A ARG 144.A NH2 ASP 181.A OD1 no hydrogen 3.178 N/A SER 145.A N PHE 92.A O no hydrogen 2.947 N/A SER 145.A OG GLN 140.A O no hydrogen 2.698 N/A ASN 146.A N GLN 140.A OE1 no hydrogen 3.023 N/A ASN 146.A N ARG 144.A O no hydrogen 2.811 N/A TYR 147.A N GLN 140.A OE1 no hydrogen 3.019 N/A TYR 147.A OH GLU 240.A OE1 no hydrogen 2.617 N/A VAL 148.A N VAL 178.A O no hydrogen 2.969 N/A PHE 149.A N ARG 138.A O no hydrogen 2.885 N/A CYS 150.A N THR 176.A O no hydrogen 3.025 N/A ASN 151.A N GLY 136.A O no hydrogen 2.905 N/A ASN 151.A ND2 SER 209.A OG no hydrogen 2.921 N/A GLY 152.A N VAL 174.A O no hydrogen 2.964 N/A GLU 153.A N GLY 133.A O no hydrogen 2.872 N/A ASP 154.A N LYS 132.A O no hydrogen 3.069 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.557 N/A THR 156.A N VAL 172.A O no hydrogen 3.083 N/A THR 156.A OG1 ASP 154.A O no hydrogen 3.433 N/A ASP 161.A N VAL 159.A O no hydrogen 3.042 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.032 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.682 N/A ASN 164.A ND2 VAL 159.A O no hydrogen 2.849 N/A VAL 168.A N GLU 166.A O no hydrogen 2.864 N/A ASN 170.A N ASP 167.A O no hydrogen 3.085 N/A ASN 170.A ND2 ASP 167.A OD2 no hydrogen 2.393 N/A TYR 171.A N VAL 168.A O no hydrogen 3.150 N/A TYR 171.A OH MET 165.A O no hydrogen 2.784 N/A VAL 172.A N THR 156.A O no hydrogen 2.840 N/A PHE 175.A N VAL 189.A O no hydrogen 2.968 N/A THR 176.A N CYS 150.A O no hydrogen 3.017 N/A THR 176.A OG1 GLN 188.A OE1 no hydrogen 3.042 N/A ALA 177.A N TRP 187.A O no hydrogen 2.866 N/A VAL 178.A N VAL 148.A O no hydrogen 2.835 N/A ASP 179.A N GLU 184.A O no hydrogen 2.768 N/A ALA 180.A N ASN 146.A O no hydrogen 3.001 N/A ASP 181.A N ASP 179.A OD1 no hydrogen 2.911 N/A LYS 182.A N ASP 179.A OD1 no hydrogen 2.959 N/A TRP 183.A N ASP 179.A O no hydrogen 2.709 N/A TRP 183.A NE1 VAL 112.A O no hydrogen 3.178 N/A ALA 186.A N ALA 177.A O no hydrogen 2.817 N/A TRP 187.A N ALA 177.A O no hydrogen 3.308 N/A TRP 187.A NE1 TYR 147.A OH no hydrogen 2.997 N/A GLN 188.A N LYS 255.A O no hydrogen 2.946 N/A VAL 189.A N PHE 175.A O no hydrogen 2.858 N/A LEU 190.A N VAL 257.A O no hydrogen 2.932 N/A VAL 191.A N ASN 173.A O no hydrogen 3.110 N/A SER 192.A N TYR 270.A OH no hydrogen 3.092 N/A ASN 194.A N ASN 213.A O no hydrogen 3.219 N/A ASN 194.A ND2 SER 211.A OG no hydrogen 3.392 N/A ASP 196.A N THR 210.A O no hydrogen 2.839 N/A CYS 198.A SG PHE 149.A O no hydrogen 3.588 N/A ASP 199.A N PHE 208.A O no hydrogen 2.951 N/A ALA 200.A N ASP 199.A OD1 no hydrogen 2.661 N/A ASP 201.A N TRP 206.A O no hydrogen 3.400 N/A GLU 203.A N ASP 201.A OD2 no hydrogen 2.997 N/A GLY 204.A N ASP 201.A OD1 no hydrogen 2.893 N/A LYS 205.A N ASP 201.A OD2 no hydrogen 3.044 N/A LYS 205.A NZ ASP 308.A OD2 no hydrogen 2.807 N/A TRP 206.A N ASP 201.A OD1 no hydrogen 3.146 N/A ALA 207.A N PHE 234.A O no hydrogen 3.415 N/A PHE 208.A N ASP 199.A O no hydrogen 2.970 N/A SER 209.A N VAL 232.A O no hydrogen 2.997 N/A THR 210.A N ASN 197.A O no hydrogen 2.849 N/A THR 210.A OG1 HIS 278.A O no hydrogen 3.439 N/A SER 211.A N HIS 230.A O no hydrogen 2.965 N/A SER 211.A OG ASN 194.A O no hydrogen 2.677 N/A TYR 212.A OH GLU 153.A OE2 no hydrogen 2.542 N/A ASN 213.A ND2 GLU 155.A OE2 no hydrogen 2.757 N/A ASN 213.A ND2 GLY 217.A O no hydrogen 3.059 N/A SER 214.A N ASP 229.A OD2 no hydrogen 3.102 N/A SER 214.A OG ASP 229.A OD2 no hydrogen 2.706 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.721 N/A LYS 216.A N ASN 213.A O no hydrogen 3.250 N/A LYS 216.A NZ ALA 169.A O no hydrogen 2.509 N/A GLY 217.A N ASN 213.A OD1 no hydrogen 2.921 N/A MET 218.A N GLU 222.A OE2 no hydrogen 2.803 N/A MET 223.A N THR 219.A O no hydrogen 2.928 N/A THR 224.A N PRO 221.A O no hydrogen 3.278 N/A THR 224.A OG1 LEU 220.A O no hydrogen 2.839 N/A THR 224.A OG1 PRO 221.A O no hydrogen 3.255 N/A ALA 225.A N GLU 222.A O no hydrogen 3.465 N/A ALA 226.A N GLU 215.A OE2 no hydrogen 2.772 N/A ASP 229.A N ILE 273.A O no hydrogen 2.874 N/A ILE 231.A N ILE 271.A O no hydrogen 3.071 N/A VAL 232.A N SER 209.A O no hydrogen 2.688 N/A VAL 233.A N ARG 269.A O no hydrogen 2.982 N/A PHE 234.A N ALA 207.A O no hydrogen 2.729 N/A ASN 235.A N PHE 267.A O no hydrogen 2.882 N/A ASN 235.A ND2 TYR 312.A OH no hydrogen 2.977 N/A ILE 236.A N LYS 205.A O no hydrogen 3.354 N/A GLU 238.A N ASN 235.A OD1 no hydrogen 3.074 N/A ILE 239.A N ASN 235.A O no hydrogen 3.059 N/A GLU 240.A N ILE 236.A O no hydrogen 2.922 N/A LYS 241.A N ALA 237.A O no hydrogen 3.013 N/A ALA 242.A N GLU 238.A O no hydrogen 3.089 N/A ILE 243.A N ILE 239.A O no hydrogen 3.049 N/A ALA 244.A N GLU 240.A O no hydrogen 2.996 N/A ALA 245.A N LYS 241.A O no hydrogen 3.051 N/A GLY 246.A N ILE 243.A O no hydrogen 3.251 N/A ASP 247.A N ALA 242.A O no hydrogen 2.860 N/A GLN 249.A N VAL 256.A O no hydrogen 2.922 N/A LEU 251.A N VAL 254.A O no hydrogen 2.956 N/A ASN 252.A ND2 ASN 130.A OD1 no hydrogen 2.779 N/A VAL 254.A N LEU 251.A O no hydrogen 3.121 N/A VAL 256.A N GLN 249.A O no hydrogen 2.947 N/A VAL 257.A N GLN 188.A O no hydrogen 3.000 N/A GLY 259.A N LEU 190.A O no hydrogen 2.753 N/A ARG 260.A N ASP 258.A OD1 no hydrogen 2.967 N/A ARG 260.A NE ASP 258.A OD1 no hydrogen 2.972 N/A ARG 260.A NE ASP 258.A OD2 no hydrogen 3.392 N/A ARG 260.A NH2 ASP 258.A OD2 no hydrogen 2.927 N/A LYS 261.A N SER 192.A OG no hydrogen 2.867 N/A GLU 262.A N GLU 262.A OE1 no hydrogen 2.628 N/A ALA 263.A N ARG 260.A O no hydrogen 2.905 N/A SER 264.A N LYS 261.A O no hydrogen 3.026 N/A SER 265.A OG ASP 258.A O no hydrogen 3.560 N/A PHE 267.A N SER 265.A OG no hydrogen 3.189 N/A THR 268.A OG1 GLY 259.A O no hydrogen 2.578 N/A ARG 269.A N VAL 233.A O no hydrogen 3.268 N/A ARG 269.A NE VAL 310.A O no hydrogen 3.105 N/A ARG 269.A NH1 SER 265.A O no hydrogen 2.960 N/A ARG 269.A NH1 THR 268.A O no hydrogen 2.691 N/A ARG 269.A NH2 PHE 311.A O no hydrogen 3.225 N/A TYR 270.A OH GLY 259.A O no hydrogen 2.782 N/A ILE 271.A N ILE 231.A O no hydrogen 3.070 N/A ILE 273.A N ASP 229.A O no hydrogen 3.143 N/A ASN 275.A N GLU 227.A O no hydrogen 3.371 N/A ASN 276.A N ASP 229.A OD1 no hydrogen 2.620 N/A ASN 276.A ND2 MET 223.A O no hydrogen 3.267 N/A HIS 278.A N ALA 292.A O no hydrogen 2.915 N/A HIS 278.A ND1 ASP 196.A OD2 no hydrogen 2.696 N/A CYS 280.A SG PHE 208.A O no hydrogen 3.593 N/A ASN 281.A N CYS 290.A O no hydrogen 2.894 N/A MET 282.A N ASP 199.A OD2 no hydrogen 2.862 N/A ALA 283.A N HIS 288.A O no hydrogen 2.757 N/A LYS 286.A N ALA 283.A O no hydrogen 3.140 N/A LYS 287.A N ASP 285.A OD1 no hydrogen 2.767 N/A HIS 288.A N ASP 285.A OD1 no hydrogen 3.025 N/A LEU 289.A N LEU 302.A O no hydrogen 2.913 N/A CYS 290.A N ASN 281.A O no hydrogen 2.782 N/A VAL 291.A N THR 300.A O no hydrogen 2.815 N/A ALA 292.A N GLY 279.A O no hydrogen 2.922 N/A GLY 293.A N THR 298.A O no hydrogen 2.818 N/A LYS 294.A N PRO 331.A O no hydrogen 2.854 N/A LEU 295.A N ASN 275.A O no hydrogen 3.329 N/A SER 296.A N GLY 293.A O no hydrogen 2.882 N/A SER 296.A OG THR 298.A OG1 no hydrogen 2.889 N/A THR 298.A N SER 296.A O no hydrogen 2.651 N/A THR 298.A OG1 SER 296.A OG no hydrogen 2.889 N/A THR 300.A N VAL 291.A O no hydrogen 2.859 N/A THR 300.A OG1 GLU 324.A OE2 no hydrogen 2.764 N/A VAL 301.A N ALA 323.A O no hydrogen 2.837 N/A LEU 302.A N LEU 289.A O no hydrogen 2.894 N/A ASP 303.A N ALA 320.A O no hydrogen 2.867 N/A VAL 304.A N LYS 287.A O no hydrogen 2.941 N/A THR 305.A N ASP 303.A OD1 no hydrogen 2.904 N/A THR 305.A OG1 ASP 303.A OD1 no hydrogen 2.447 N/A ARG 306.A N ASP 303.A O no hydrogen 2.879 N/A ARG 306.A NH1 SER 319.A O no hydrogen 3.070 N/A PHE 307.A N VAL 304.A O no hydrogen 3.014 N/A PHE 311.A N PHE 307.A O no hydrogen 3.130 N/A TYR 312.A N ASP 308.A O no hydrogen 2.762 N/A TYR 312.A OH GLU 238.A OE2 no hydrogen 2.671 N/A GLU 313.A N ALA 309.A O no hydrogen 2.802 N/A ALA 315.A N ALA 309.A O no hydrogen 3.080 N/A ARG 318.A NH1 PRO 272.A O no hydrogen 2.777 N/A ARG 318.A NH2 GLU 324.A OE1 no hydrogen 3.468 N/A ARG 318.A NH2 GLU 324.A OE2 no hydrogen 3.150 N/A SER 319.A N ASP 316.A O no hydrogen 2.834 N/A SER 319.A OG ASP 316.A O no hydrogen 2.557 N/A ALA 320.A N PRO 317.A O no hydrogen 3.286 N/A VAL 321.A N ARG 318.A O no hydrogen 3.109 N/A VAL 322.A N VAL 301.A O no hydrogen 2.858 N/A LEU 327.A N PRO 297.A O no hydrogen 2.995 N/A GLY 328.A N PRO 297.A O no hydrogen 3.526 N/A LEU 329.A N ASP 349.A OD2 no hydrogen 2.820 N/A LEU 332.A N SER 345.A O no hydrogen 3.024 N/A HIS 333.A N SER 345.A OG no hydrogen 3.147 N/A THR 334.A N ASN 281.A OD1 no hydrogen 2.978 N/A THR 334.A OG1 THR 344.A OG1 no hydrogen 2.744 N/A ALA 335.A N TYR 343.A O no hydrogen 2.709 N/A ASP 337.A N ASN 341.A O no hydrogen 3.227 N/A GLY 338.A N THR 396.A O no hydrogen 3.163 N/A GLY 338.A N ASN 397.A OD1 no hydrogen 2.916 N/A ARG 339.A N ASP 337.A OD1 no hydrogen 2.975 N/A ASN 341.A N ASP 337.A OD1 no hydrogen 2.821 N/A ASN 341.A ND2 ASP 337.A OD2 no hydrogen 3.081 N/A ALA 342.A N TRP 355.A O no hydrogen 2.674 N/A TYR 343.A N ALA 335.A O no hydrogen 2.791 N/A TYR 343.A OH ASP 337.A OD2 no hydrogen 2.542 N/A THR 344.A N VAL 353.A O no hydrogen 2.913 N/A THR 344.A OG1 THR 334.A OG1 no hydrogen 2.744 N/A SER 345.A N HIS 333.A O no hydrogen 2.968 N/A SER 345.A OG HIS 333.A O no hydrogen 3.550 N/A SER 345.A OG GLY 383.A O no hydrogen 2.530 N/A LEU 346.A N GLN 351.A O no hydrogen 2.790 N/A PHE 347.A N GLY 330.A O no hydrogen 2.764 N/A ASP 349.A N LEU 329.A O no hydrogen 3.379 N/A SER 350.A OG VAL 378.A O no hydrogen 3.160 N/A GLN 351.A N LEU 346.A O no hydrogen 3.195 N/A GLN 351.A NE2 ASP 377.A OD1 no hydrogen 2.855 N/A VAL 352.A N LEU 376.A O no hydrogen 2.879 N/A VAL 353.A N THR 344.A O no hydrogen 2.849 N/A LYS 354.A N ASP 374.A O no hydrogen 2.890 N/A LYS 354.A NZ ASP 430.A O no hydrogen 2.839 N/A TRP 355.A N ALA 342.A O no hydrogen 2.850 N/A TRP 355.A NE1 THR 344.A OG1 no hydrogen 3.050 N/A ASN 356.A N PRO 371.A O no hydrogen 3.025 N/A ASN 356.A ND2 ASN 341.A OD1 no hydrogen 3.272 N/A ILE 357.A N GLY 340.A O no hydrogen 3.459 N/A ASP 359.A N ASN 356.A OD1 no hydrogen 2.998 N/A ALA 360.A N ASN 356.A O no hydrogen 3.099 N/A ILE 361.A N ILE 357.A O no hydrogen 3.031 N/A ARG 362.A N GLU 358.A O no hydrogen 3.082 N/A ARG 362.A N ASP 359.A O no hydrogen 3.190 N/A ALA 363.A N ASP 359.A O no hydrogen 2.962 N/A TYR 364.A N ALA 360.A O no hydrogen 2.989 N/A ALA 365.A N ARG 362.A O no hydrogen 2.916 N/A GLY 366.A N ALA 363.A O no hydrogen 3.114 N/A GLU 367.A N ARG 362.A O no hydrogen 3.141 N/A VAL 369.A N GLU 367.A O no hydrogen 3.056 N/A ILE 372.A N ASP 370.A OD1 no hydrogen 2.780 N/A LYS 373.A N LYS 354.A O no hydrogen 2.798 N/A LYS 373.A NZ ASN 341.A OD1 no hydrogen 2.889 N/A ASP 374.A N LYS 354.A O no hydrogen 3.398 N/A LYS 375.A N ASP 374.A OD2 no hydrogen 2.691 N/A LYS 375.A NZ LEU 327.A O no hydrogen 2.797 N/A LEU 376.A N VAL 352.A O no hydrogen 2.965 N/A VAL 378.A N SER 350.A O no hydrogen 3.145 N/A TYR 380.A N SER 350.A OG no hydrogen 3.148 N/A TYR 380.A N VAL 378.A O no hydrogen 3.278 N/A TYR 380.A OH ASP 409.A OD1 no hydrogen 2.941 N/A GLN 381.A N SER 350.A OG no hydrogen 3.301 N/A GLY 383.A N LEU 403.A O no hydrogen 2.922 N/A LYS 386.A N VAL 401.A O no hydrogen 2.855 N/A LYS 386.A NZ GLU 391.A OE1 no hydrogen 2.954 N/A LYS 386.A NZ GLU 391.A OE2 no hydrogen 3.357 N/A LYS 386.A NZ ASP 446.A OD1 no hydrogen 3.038 N/A LYS 386.A NZ ASP 446.A OD2 no hydrogen 2.824 N/A LYS 386.A NZ ALA 447.A O no hydrogen 2.827 N/A THR 387.A OG1 PHE 336.A O no hydrogen 2.546 N/A MET 389.A N ALA 449.A O no hydrogen 3.253 N/A GLY 390.A N THR 387.A O no hydrogen 3.147 N/A THR 392.A N MET 389.A O no hydrogen 3.035 N/A THR 392.A OG1 MET 389.A O no hydrogen 2.743 N/A LEU 393.A N GLY 95.A O no hydrogen 3.006 N/A ASP 394.A N THR 392.A OG1 no hydrogen 2.996 N/A THR 396.A N VAL 388.A O no hydrogen 3.116 N/A THR 396.A OG1 ASP 398.A OD1 no hydrogen 2.720 N/A TRP 399.A N ASP 398.A OD1 no hydrogen 2.686 N/A LEU 400.A N ILE 425.A O no hydrogen 2.879 N/A VAL 401.A N LYS 386.A O no hydrogen 2.914 N/A CYS 402.A N GLN 423.A O no hydrogen 2.857 N/A LEU 403.A N HIS 384.A O no hydrogen 2.955 N/A SER 404.A N ASN 421.A O no hydrogen 2.965 N/A LYS 405.A N GLN 381.A O no hydrogen 2.861 N/A LYS 405.A NZ GLU 443.A OE2 no hydrogen 2.934 N/A LYS 405.A NZ PRO 444.A O no hydrogen 3.173 N/A LYS 405.A NZ HIS 445.A ND1 no hydrogen 3.360 N/A PHE 406.A N TYR 380.A O no hydrogen 3.231 N/A SER 407.A OG PRO 419.A O no hydrogen 2.749 N/A ARG 410.A N SER 407.A O no hydrogen 2.814 N/A ARG 410.A NE ASP 437.A OD2 no hydrogen 2.868 N/A ARG 410.A NH2 ASP 437.A OD1 no hydrogen 3.547 N/A ARG 410.A NH2 ASP 437.A OD2 no hydrogen 2.996 N/A GLY 415.A N ASN 413.A OD1 no hydrogen 2.892 N/A LYS 418.A NZ ASN 413.A OD1 no hydrogen 2.942 N/A LYS 418.A NZ GLY 415.A O no hydrogen 2.913 N/A GLU 420.A N THR 440.A O no hydrogen 2.748 N/A ASN 421.A ND2 ASP 437.A OD2 no hydrogen 3.311 N/A ASP 422.A N GLY 438.A O no hydrogen 2.869 N/A GLN 423.A N CYS 402.A O no hydrogen 2.794 N/A LEU 424.A N HIS 436.A O no hydrogen 2.924 N/A ILE 425.A N LEU 400.A O no hydrogen 2.712 N/A ASP 426.A N VAL 433.A O no hydrogen 2.785 N/A ILE 427.A N ASP 398.A O no hydrogen 3.001 N/A SER 428.A N ASP 426.A OD1 no hydrogen 2.874 N/A SER 428.A OG ASP 426.A OD1 no hydrogen 2.580 N/A LYS 431.A NZ LYS 373.A O no hydrogen 2.912 N/A MET 432.A N ASP 374.A OD1 no hydrogen 2.982 N/A VAL 433.A N ASP 426.A O no hydrogen 3.029 N/A VAL 435.A N LEU 424.A O no hydrogen 3.090 N/A HIS 436.A N LEU 424.A O no hydrogen 3.495 N/A GLY 438.A N ASP 422.A O no hydrogen 2.905 N/A THR 440.A N GLU 420.A O no hydrogen 3.075 N/A THR 440.A OG1 ASP 422.A OD2 no hydrogen 3.204 N/A GLU 443.A N GLU 420.A OE2 no hydrogen 3.235 N/A HIS 445.A N SER 18.A OG no hydrogen 2.596 N/A ASP 446.A N HIS 86.A O no hydrogen 3.208 N/A ILE 448.A N PHE 16.A O no hydrogen 3.023 N/A VAL 450.A N TYR 14.A O no hydrogen 2.731 N/A SER 453.A N HIS 451.A ND1 no hydrogen 2.978 N/A SER 453.A OG HIS 451.A ND1 no hydrogen 2.795 N/A ILE 454.A N HIS 451.A O no hydrogen 3.083 N/A SER 456.A OG SER 453.A O no hydrogen 2.242 N/A LYS 459.A N ASP 118.A O no hydrogen 2.897 N/A LYS 459.A NZ ASP 457.A OD1 no hydrogen 3.035 N/A TRP 462.A N PRO 551.A O no hydrogen 3.062 N/A ARG 464.A NE ASP 484.A OD1 no hydrogen 3.040 N/A ARG 464.A NH1 GLN 552.A O no hydrogen 2.818 N/A ARG 464.A NH1 THR 554.A OG1 no hydrogen 2.922 N/A ARG 464.A NH2 ASP 484.A OD1 no hydrogen 2.989 N/A ARG 464.A NH2 THR 554.A OG1 no hydrogen 2.951 N/A ASP 466.A N ASP 463.A O no hydrogen 3.233 N/A MET 468.A N ASP 466.A OD1 no hydrogen 2.963 N/A TRP 469.A NE1 ARG 464.A O no hydrogen 2.918 N/A ALA 470.A N PRO 467.A O no hydrogen 2.993 N/A THR 472.A OG1 GLU 55.A OE2 no hydrogen 2.661 N/A ARG 473.A N TRP 469.A O no hydrogen 2.916 N/A ARG 473.A NH1 ASP 484.A OD1 no hydrogen 3.509 N/A ARG 473.A NH1 ASP 484.A OD2 no hydrogen 2.998 N/A ARG 473.A NH2 ARG 464.A O no hydrogen 2.714 N/A ARG 473.A NH2 ASP 484.A OD1 no hydrogen 2.912 N/A ARG 473.A NH2 ASP 484.A OD2 no hydrogen 3.566 N/A ALA 474.A N ALA 470.A O no hydrogen 2.968 N/A GLN 475.A N GLU 471.A O no hydrogen 3.064 N/A GLN 475.A NE2 GLN 475.A O no hydrogen 3.093 N/A GLN 475.A NE2 ASP 479.A OD1 no hydrogen 3.315 N/A GLN 475.A NE2 ASP 479.A OD2 no hydrogen 3.403 N/A ALA 476.A N THR 472.A O no hydrogen 3.068 N/A GLU 477.A N ARG 473.A O no hydrogen 2.897 N/A ALA 478.A N ALA 474.A O no hydrogen 2.997 N/A ASP 479.A N GLN 475.A O no hydrogen 2.977 N/A ASP 479.A N ALA 476.A O no hydrogen 2.915 N/A GLY 480.A N GLU 477.A O no hydrogen 3.092 N/A VAL 481.A N ALA 476.A O no hydrogen 2.926 N/A ASP 484.A N ASP 482.A OD1 no hydrogen 2.958 N/A ASN 485.A N ASP 482.A O no hydrogen 3.216 N/A TRP 486.A NE1 GLU 488.A OE2 no hydrogen 2.895 N/A THR 487.A N SER 502.A OG no hydrogen 3.032 N/A GLU 489.A N THR 487.A OG1 no hydrogen 3.327 N/A ILE 491.A N ARG 498.A O no hydrogen 2.821 N/A ARG 492.A NH1 THR 514.A O no hydrogen 2.782 N/A ARG 492.A NH2 THR 514.A O no hydrogen 2.907 N/A ASP 493.A N LYS 496.A O no hydrogen 2.890 N/A LYS 496.A N ASP 493.A O no hydrogen 2.967 N/A VAL 497.A N GLU 520.A O no hydrogen 3.007 N/A ARG 498.A N ILE 491.A O no hydrogen 2.929 N/A ARG 498.A NE ASP 479.A OD2 no hydrogen 2.722 N/A ARG 498.A NH1 ASP 493.A OD2 no hydrogen 3.035 N/A ARG 498.A NH2 ASP 479.A OD1 no hydrogen 2.919 N/A ARG 498.A NH2 ASP 493.A OD2 no hydrogen 3.368 N/A VAL 499.A N THR 522.A O no hydrogen 2.863 N/A TYR 500.A N GLU 489.A O no hydrogen 2.861 N/A TYR 500.A OH ASP 479.A OD2 no hydrogen 2.657 N/A MET 501.A N ILE 524.A O no hydrogen 2.790 N/A SER 502.A N SER 509.A OG no hydrogen 2.923 N/A SER 503.A N THR 526.A O no hydrogen 2.931 N/A VAL 504.A N SER 507.A O no hydrogen 3.187 N/A ALA 505.A N ASP 529.A OD2 no hydrogen 2.847 N/A SER 507.A N VAL 504.A O no hydrogen 3.012 N/A SER 509.A N SER 502.A O no hydrogen 2.839 N/A SER 509.A OG THR 487.A O no hydrogen 2.568 N/A PHE 513.A N ARG 585.A O no hydrogen 3.020 N/A VAL 515.A N LEU 587.A O no hydrogen 2.887 N/A LYS 516.A N ASP 519.A OD2 no hydrogen 2.764 N/A GLU 517.A N GLU 589.A O no hydrogen 2.883 N/A GLY 518.A N ALA 561.A O no hydrogen 2.909 N/A ASP 519.A N LYS 516.A O no hydrogen 2.935 N/A GLU 520.A N ASN 495.A O no hydrogen 2.914 N/A VAL 521.A N PHE 559.A O no hydrogen 2.766 N/A THR 522.A N VAL 497.A O no hydrogen 2.894 N/A THR 522.A OG1 THR 558.A OG1 no hydrogen 2.753 N/A VAL 523.A N VAL 557.A O no hydrogen 2.864 N/A ILE 524.A N VAL 499.A O no hydrogen 2.770 N/A VAL 525.A N SER 555.A O no hydrogen 2.864 N/A THR 526.A N MET 501.A O no hydrogen 3.076 N/A THR 526.A OG1 ILE 483.A O no hydrogen 3.556 N/A THR 526.A OG1 THR 554.A OG1 no hydrogen 2.789 N/A ASN 527.A N MET 553.A O no hydrogen 2.919 N/A ASN 527.A ND2 LEU 534.A O no hydrogen 3.045 N/A ASN 527.A ND2 ILE 549.A O no hydrogen 2.929 N/A LEU 528.A N SER 503.A O no hydrogen 2.998 N/A ASP 529.A N ASN 527.A OD1 no hydrogen 2.955 N/A LEU 534.A N ILE 531.A O no hydrogen 3.012 N/A THR 535.A N ASP 533.A O no hydrogen 2.907 N/A HIS 536.A N ILE 549.A O no hydrogen 3.168 N/A HIS 536.A NE2 ASP 529.A OD2 no hydrogen 2.835 N/A PHE 538.A N MET 547.A O no hydrogen 3.071 N/A THR 539.A N TYR 570.A O no hydrogen 2.851 N/A MET 540.A N VAL 545.A O no hydrogen 2.963 N/A GLY 541.A N TRP 568.A O no hydrogen 2.759 N/A TYR 543.A N MET 540.A O no hydrogen 3.121 N/A TYR 543.A OH ASN 563.A O no hydrogen 2.832 N/A ALA 546.A N GLN 52.A OE1 no hydrogen 2.729 N/A MET 547.A N PHE 538.A O no hydrogen 2.910 N/A GLU 548.A N THR 48.A O no hydrogen 2.886 N/A ILE 549.A N HIS 536.A O no hydrogen 2.955 N/A GLN 552.A N ASN 527.A O no hydrogen 2.891 N/A MET 553.A N GLY 550.A O no hydrogen 2.944 N/A THR 554.A OG1 THR 526.A OG1 no hydrogen 2.789 N/A SER 555.A N VAL 525.A O no hydrogen 2.898 N/A SER 555.A OG GLU 548.A O no hydrogen 3.186 N/A SER 556.A N GLU 55.A OE1 no hydrogen 2.960 N/A SER 556.A OG GLU 55.A OE2 no hydrogen 2.629 N/A VAL 557.A N VAL 523.A O no hydrogen 3.104 N/A THR 558.A OG1 ASN 54.A OD1 no hydrogen 2.824 N/A THR 558.A OG1 THR 522.A OG1 no hydrogen 2.753 N/A PHE 559.A N VAL 521.A O no hydrogen 2.828 N/A ALA 561.A N ASP 519.A O no hydrogen 2.865 N/A ALA 562.A N VAL 560.A O no hydrogen 2.793 N/A GLY 565.A N VAL 588.A O no hydrogen 2.859 N/A TYR 567.A N MET 586.A O no hydrogen 3.009 N/A TYR 567.A OH ASN 563.A O no hydrogen 3.218 N/A TYR 567.A OH PRO 564.A O no hydrogen 2.813 N/A TYR 569.A N GLY 584.A O no hydrogen 2.884 N/A TYR 569.A OH ILE 510.A O no hydrogen 2.765 N/A TYR 570.A N THR 539.A O no hydrogen 2.797 N/A CYS 571.A N MET 582.A O no hydrogen 3.122 N/A CYS 571.A SG HIS 536.A ND1 no hydrogen 3.808 N/A CYS 571.A SG TRP 573.A O no hydrogen 3.300 N/A CYS 571.A SG HIS 579.A ND1 no hydrogen 3.784 N/A CYS 575.A SG HIS 536.A ND1 no hydrogen 3.352 N/A CYS 575.A SG HIS 579.A ND1 no hydrogen 3.862 N/A LEU 578.A N HIS 576.A ND1 no hydrogen 2.930 N/A HIS 579.A N HIS 576.A O no hydrogen 3.026 N/A GLU 581.A N LEU 578.A O no hydrogen 3.219 N/A GLU 581.A N GLU 581.A OE1 no hydrogen 2.668 N/A MET 582.A N HIS 579.A O no hydrogen 2.942 N/A ARG 583.A N GLU 581.A O no hydrogen 2.860 N/A ARG 583.A NE MET 580.A O no hydrogen 3.445 N/A GLY 584.A N TYR 569.A O no hydrogen 2.937 N/A ARG 585.A N GLU 511.A O no hydrogen 2.996 N/A MET 586.A N TYR 567.A O no hydrogen 2.733 N/A LEU 587.A N PHE 513.A O no hydrogen 2.838 N/A VAL 588.A N GLY 565.A O no hydrogen 2.917 N/A GLU 589.A N VAL 515.A O no hydrogen 2.983 N/A