Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pdx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 460.A OE1 no hydrogen 2.798 N/A LYS 5.A NZ GLU 2.A OE1 no hydrogen 3.022 N/A LYS 5.A NZ GLU 3.A O no hydrogen 2.925 N/A LYS 5.A NZ ASN 457.A OD1 no hydrogen 2.986 N/A THR 8.A N GLN 461.A OE1 no hydrogen 3.012 N/A THR 8.A OG1 THR 11.A OG1 no hydrogen 3.306 N/A THR 8.A OG1 TYR 431.A OH no hydrogen 2.680 N/A THR 8.A OG1 GLN 461.A OE1 no hydrogen 3.340 N/A THR 11.A N THR 8.A OG1 no hydrogen 3.203 N/A THR 11.A OG1 THR 8.A OG1 no hydrogen 3.306 N/A THR 11.A OG1 GLN 461.A OE1 no hydrogen 2.605 N/A GLN 12.A N THR 8.A O no hydrogen 2.949 N/A GLN 13.A N GLN 9.A O no hydrogen 2.915 N/A VAL 14.A N TYR 10.A O no hydrogen 2.953 N/A ASN 15.A N THR 11.A O no hydrogen 2.891 N/A ASN 15.A ND2 TYR 464.A O no hydrogen 3.136 N/A GLN 16.A N GLN 12.A O no hydrogen 2.816 N/A ASN 17.A N GLN 13.A O no hydrogen 3.107 N/A ASN 17.A N VAL 14.A O no hydrogen 3.163 N/A ALA 19.A N ASN 15.A O no hydrogen 3.263 N/A LYS 20.A N GLN 16.A O no hydrogen 2.933 N/A LYS 20.A NZ GLN 16.A OE1 no hydrogen 3.212 N/A SER 21.A N ASN 17.A O no hydrogen 3.162 N/A SER 21.A N TYR 18.A O no hydrogen 3.223 N/A SER 21.A OG ASN 17.A O no hydrogen 2.851 N/A LEU 22.A N TYR 18.A O no hydrogen 3.129 N/A PHE 24.A N LEU 22.A O no hydrogen 2.845 N/A ASP 26.A N PRO 23.A O no hydrogen 3.075 N/A ARG 27.A NH2 ILE 65.A O no hydrogen 2.961 N/A GLN 28.A N ASP 26.A OD1 no hydrogen 3.021 N/A GLN 28.A NE2 ASP 32.A OD1 no hydrogen 2.984 N/A ASP 31.A N ARG 27.A O no hydrogen 3.275 N/A ASP 32.A N GLN 28.A O no hydrogen 2.836 N/A ALA 33.A N ASP 29.A O no hydrogen 2.845 N/A GLN 34.A N PHE 30.A O no hydrogen 2.991 N/A GLN 34.A N ASP 31.A O no hydrogen 3.223 N/A ARG 35.A N ASP 31.A O no hydrogen 3.010 N/A PHE 37.A N GLN 34.A O no hydrogen 3.112 N/A ILE 38.A N LEU 89.A O no hydrogen 2.823 N/A GLY 45.A N LEU 42.A O no hydrogen 2.844 N/A ILE 46.A N ASP 43.A O no hydrogen 2.975 N/A LEU 47.A N TYR 56.A O no hydrogen 2.858 N/A ARG 48.A NH1 ASP 43.A OD2 no hydrogen 2.960 N/A ASP 49.A N LYS 53.A O no hydrogen 3.096 N/A ASN 51.A N ASP 49.A OD1 no hydrogen 2.520 N/A ASN 51.A ND2 ASP 49.A O no hydrogen 3.289 N/A TYR 55.A N LEU 47.A O no hydrogen 2.907 N/A TYR 55.A OH THR 123.A OG1 no hydrogen 2.742 N/A TYR 56.A OH THR 221.A O no hydrogen 2.668 N/A ARG 57.A NE GLU 44.A OE1 no hydrogen 2.944 N/A ARG 57.A NH1 ASP 60.A OD1 no hydrogen 3.000 N/A ARG 57.A NH2 GLU 44.A OE1 no hydrogen 2.854 N/A ALA 58.A N GLY 45.A O no hydrogen 3.026 N/A ASP 59.A N GLU 44.A O no hydrogen 3.132 N/A ASP 60.A N ARG 57.A O no hydrogen 2.929 N/A TYR 61.A N ALA 58.A O no hydrogen 2.990 N/A LYS 62.A N ASP 59.A O no hydrogen 3.165 N/A ASN 66.A N ASP 64.A OD1 no hydrogen 2.899 N/A ASN 66.A ND2 ASP 64.A OD1 no hydrogen 3.296 N/A ALA 67.A N ASP 64.A O no hydrogen 3.249 N/A THR 72.A OG1 ALA 210.A O no hydrogen 2.674 N/A VAL 73.A N PRO 70.A O no hydrogen 3.158 N/A ASN 74.A ND2 ASN 15.A OD1 no hydrogen 3.231 N/A ASN 74.A ND2 GLN 465.A O no hydrogen 3.015 N/A SER 76.A N ASN 74.A OD1 no hydrogen 2.882 N/A SER 76.A OG TYR 371.A OH no hydrogen 2.620 N/A SER 76.A OG GLU 467.A OE2 no hydrogen 2.620 N/A LEU 77.A N ASN 74.A OD1 no hydrogen 3.050 N/A TRP 78.A N ASN 74.A O no hydrogen 2.773 N/A TRP 78.A NE1 ALA 67.A O no hydrogen 2.989 N/A ARG 79.A N PRO 75.A O no hydrogen 3.127 N/A ARG 79.A NH1 ASP 29.A OD2 no hydrogen 3.112 N/A ARG 79.A NH2 ASP 26.A O no hydrogen 2.989 N/A ARG 79.A NH2 ASP 29.A OD2 no hydrogen 3.499 N/A GLN 80.A N SER 76.A O no hydrogen 3.146 N/A GLN 80.A NE2 GLY 217.A O no hydrogen 3.096 N/A GLN 80.A NE2 HIS 274.A O no hydrogen 2.734 N/A SER 81.A N LEU 77.A O no hydrogen 2.949 N/A SER 81.A OG LEU 77.A O no hydrogen 3.076 N/A GLN 82.A N TRP 78.A O no hydrogen 2.825 N/A GLN 82.A NE2 ASP 64.A O no hydrogen 2.868 N/A GLN 82.A NE2 ALA 67.A O no hydrogen 3.046 N/A ILE 83.A N ARG 79.A O no hydrogen 3.071 N/A ASN 84.A N GLN 80.A O no hydrogen 2.838 N/A ASN 84.A ND2 GLY 217.A O no hydrogen 2.972 N/A GLY 85.A N SER 81.A O no hydrogen 3.080 N/A GLY 85.A N GLN 82.A O no hydrogen 3.243 N/A ILE 86.A N ILE 83.A O no hydrogen 3.112 N/A GLY 88.A N ARG 99.A O no hydrogen 2.994 N/A LEU 89.A N ALA 39.A O no hydrogen 2.763 N/A PHE 90.A N GLN 97.A O no hydrogen 2.798 N/A LYS 91.A N GLY 36.A O no hydrogen 2.765 N/A GLN 97.A N PHE 90.A O no hydrogen 2.878 N/A GLN 97.A NE2 THR 107.A OG1 no hydrogen 2.885 N/A VAL 98.A N ILE 106.A O no hydrogen 3.003 N/A ARG 99.A N GLY 88.A O no hydrogen 3.035 N/A ARG 99.A NH2 ALA 33.A O no hydrogen 2.842 N/A GLN 101.A NE2 GLY 45.A O no hydrogen 3.150 N/A GLN 101.A NE2 GLN 101.A O no hydrogen 2.822 N/A ILE 103.A N ASP 102.A OD1 no hydrogen 2.722 N/A SER 104.A OG ASP 154.A O no hydrogen 2.922 N/A ASN 105.A N PRO 312.A O no hydrogen 2.542 N/A ASN 105.A ND2 THR 314.A O no hydrogen 2.776 N/A ILE 106.A N VAL 98.A O no hydrogen 3.208 N/A THR 107.A N ILE 118.A O no hydrogen 3.070 N/A PHE 108.A N TYR 96.A O no hydrogen 2.711 N/A VAL 109.A N ILE 116.A O no hydrogen 2.783 N/A GLU 110.A N LYS 95.A O no hydrogen 2.882 N/A GLY 111.A N GLY 114.A O no hydrogen 3.010 N/A GLU 112.A N ASP 245.A O no hydrogen 2.943 N/A LYS 113.A N ASP 245.A OD1 no hydrogen 2.860 N/A LYS 113.A N ASP 245.A OD2 no hydrogen 3.248 N/A GLY 114.A N ASP 245.A OD2 no hydrogen 2.738 N/A ILE 115.A N PRO 142.A O no hydrogen 2.957 N/A ILE 116.A N VAL 109.A O no hydrogen 2.736 N/A VAL 117.A N ALA 145.A O no hydrogen 2.969 N/A ILE 118.A N THR 107.A O no hydrogen 2.930 N/A ASP 119.A N ILE 147.A O no hydrogen 2.829 N/A LEU 121.A N ASP 119.A O no hydrogen 2.896 N/A VAL 122.A N ASP 102.A OD2 no hydrogen 3.043 N/A THR 123.A OG1 TYR 55.A OH no hydrogen 2.742 N/A ALA 126.A N THR 123.A O no hydrogen 3.072 N/A ALA 127.A N THR 123.A O no hydrogen 3.210 N/A LYS 128.A N PRO 124.A O no hydrogen 2.860 N/A ALA 129.A N PRO 125.A O no hydrogen 2.979 N/A ALA 130.A N ALA 126.A O no hydrogen 3.074 N/A LEU 131.A N ALA 127.A O no hydrogen 2.883 N/A ASP 132.A N LYS 128.A O no hydrogen 2.850 N/A LEU 133.A N ALA 129.A O no hydrogen 3.221 N/A TYR 134.A N ALA 130.A O no hydrogen 3.108 N/A TYR 134.A OH GLU 110.A OE2 no hydrogen 2.648 N/A PHE 135.A N LEU 131.A O no hydrogen 2.928 N/A GLN 136.A N LEU 133.A O no hydrogen 3.079 N/A HIS 137.A N TYR 134.A O no hydrogen 2.964 N/A ARG 138.A N TYR 134.A O no hydrogen 2.888 N/A ARG 138.A NE GLU 110.A OE2 no hydrogen 2.894 N/A ARG 138.A NH2 GLU 110.A OE1 no hydrogen 2.900 N/A ARG 138.A NH2 GLU 110.A OE2 no hydrogen 3.477 N/A VAL 144.A N ILE 115.A O no hydrogen 2.899 N/A VAL 146.A N GLN 174.A O no hydrogen 2.851 N/A ILE 147.A N VAL 117.A O no hydrogen 2.771 N/A TYR 148.A N ILE 176.A O no hydrogen 2.870 N/A TYR 148.A OH ILE 230.A O no hydrogen 2.832 N/A THR 149.A N ASP 119.A OD1 no hydrogen 2.806 N/A THR 149.A OG1 ASP 119.A OD1 no hydrogen 3.341 N/A THR 149.A OG1 ASP 119.A OD2 no hydrogen 2.723 N/A THR 149.A OG1 HIS 155.A ND1 no hydrogen 3.318 N/A HIS 152.A N HIS 150.A ND1 no hydrogen 3.150 N/A THR 153.A OG1 TYR 156.A OH no hydrogen 3.268 N/A HIS 155.A N HIS 152.A O no hydrogen 2.885 N/A HIS 155.A NE2 GLU 270.A OE2 no hydrogen 2.417 N/A TYR 156.A N THR 153.A O no hydrogen 3.268 N/A GLY 157.A N THR 153.A O no hydrogen 3.048 N/A GLY 158.A N LEU 121.A O no hydrogen 3.045 N/A VAL 159.A N TYR 156.A O no hydrogen 2.952 N/A LYS 160.A N SER 228.A OG no hydrogen 3.075 N/A LYS 160.A NZ GLU 165.A OE1 no hydrogen 3.527 N/A LYS 160.A NZ ASP 490.A OD1 no hydrogen 3.341 N/A LYS 160.A NZ ASP 490.A OD2 no hydrogen 2.947 N/A GLY 161.A N GLY 158.A O no hydrogen 2.810 N/A ILE 162.A N VAL 159.A O no hydrogen 3.142 N/A ILE 163.A N VAL 159.A O no hydrogen 3.116 N/A SER 164.A OG ASP 167.A OD2 no hydrogen 3.237 N/A ASP 167.A N SER 164.A O no hydrogen 3.041 N/A ASP 167.A N SER 164.A OG no hydrogen 3.368 N/A LYS 169.A N GLU 165.A O no hydrogen 2.959 N/A SER 170.A N ALA 166.A O no hydrogen 2.957 N/A SER 170.A OG ALA 166.A O no hydrogen 3.542 N/A SER 170.A OG ASP 167.A O no hydrogen 3.441 N/A GLY 171.A N VAL 168.A O no hydrogen 2.938 N/A LYS 172.A N ASP 167.A O no hydrogen 2.896 N/A VAL 173.A N ASP 167.A O no hydrogen 2.928 N/A GLN 174.A N VAL 144.A O no hydrogen 3.149 N/A VAL 175.A N THR 233.A OG1 no hydrogen 3.042 N/A ILE 176.A N VAL 146.A O no hydrogen 2.775 N/A ALA 177.A N LYS 234.A O no hydrogen 3.141 N/A ALA 179.A N ILE 236.A O no hydrogen 2.730 N/A PHE 181.A N PRO 178.A O no hydrogen 2.984 N/A GLU 183.A N GLY 180.A O no hydrogen 2.848 N/A ALA 184.A N PHE 181.A O no hydrogen 2.593 N/A SER 186.A N ASP 182.A O no hydrogen 2.738 N/A SER 186.A OG ASP 182.A O no hydrogen 2.689 N/A SER 186.A OG GLU 187.A OE1 no hydrogen 3.249 N/A GLU 187.A N GLU 183.A O no hydrogen 3.420 N/A ASN 188.A N ILE 185.A O no hydrogen 3.142 N/A VAL 189.A N SER 186.A O no hydrogen 3.339 N/A GLY 192.A N VAL 189.A O no hydrogen 3.263 N/A ASN 193.A ND2 ASP 594.A O no hydrogen 2.874 N/A SER 195.A OG GLY 192.A O no hydrogen 2.893 N/A ARG 196.A N ASN 193.A O no hydrogen 3.095 N/A ARG 196.A NE VAL 597.A O no hydrogen 2.812 N/A ARG 196.A NH1 GLU 481.A OE2 no hydrogen 2.951 N/A ARG 196.A NH2 GLU 481.A OE1 no hydrogen 2.893 N/A ARG 196.A NH2 GLU 481.A OE2 no hydrogen 3.266 N/A ARG 196.A NH2 VAL 597.A O no hydrogen 2.983 N/A ARG 197.A N ILE 194.A O no hydrogen 2.925 N/A ARG 197.A NE ARG 283.A O no hydrogen 3.025 N/A ARG 197.A NH2 LEU 282.A O no hydrogen 2.800 N/A LEU 199.A N SER 195.A O no hydrogen 3.090 N/A LEU 199.A N ARG 196.A O no hydrogen 3.250 N/A TYR 200.A OH GLU 481.A OE1 no hydrogen 2.635 N/A SER 201.A N ARG 197.A O no hydrogen 2.971 N/A TYR 202.A N ALA 198.A O no hydrogen 2.940 N/A GLY 203.A N TYR 200.A O no hydrogen 3.008 N/A LEU 204.A N LEU 199.A O no hydrogen 3.168 N/A LEU 206.A N GLY 203.A O no hydrogen 3.178 N/A HIS 208.A ND1 ASP 60.A OD2 no hydrogen 3.135 N/A GLN 211.A N ASN 209.A OD1 no hydrogen 2.803 N/A GLY 212.A N ASN 209.A O no hydrogen 2.940 N/A ASN 213.A N PRO 207.A O no hydrogen 2.868 N/A ASN 213.A ND2 THR 221.A OG1 no hydrogen 2.721 N/A GLY 215.A N ASN 213.A OD1 no hydrogen 2.842 N/A ASN 216.A N GLY 219.A O no hydrogen 2.860 N/A ASN 216.A ND2 TYR 202.A O no hydrogen 3.012 N/A LEU 218.A N ASN 216.A O no hydrogen 2.768 N/A LEU 222.A N ASN 216.A OD1 no hydrogen 2.955 N/A ALA 223.A N ASP 102.A OD1 no hydrogen 2.938 N/A SER 228.A N GLY 157.A O no hydrogen 2.604 N/A SER 228.A OG GLY 157.A O no hydrogen 2.683 N/A ILE 229.A N ASP 490.A OD2 no hydrogen 3.111 N/A THR 233.A N VAL 175.A O no hydrogen 2.739 N/A THR 233.A OG1 VAL 175.A O no hydrogen 3.372 N/A LYS 234.A N VAL 175.A O no hydrogen 3.160 N/A LYS 234.A NZ GLU 241.A OE2 no hydrogen 3.518 N/A ILE 236.A N ALA 177.A O no hydrogen 2.986 N/A VAL 237.A N GLU 241.A OE1 no hydrogen 2.847 N/A ARG 238.A N GLU 241.A OE1 no hydrogen 3.357 N/A GLY 240.A N PHE 251.A O no hydrogen 3.172 N/A GLU 241.A N ARG 238.A O no hydrogen 3.242 N/A ILE 244.A N LEU 247.A O no hydrogen 2.853 N/A LEU 247.A N ILE 244.A O no hydrogen 2.949 N/A ASP 250.A N TYR 259.A O no hydrogen 2.880 N/A PHE 251.A N GLU 241.A O no hydrogen 2.954 N/A LEU 252.A N HIS 257.A O no hydrogen 2.922 N/A THR 253.A OG1 GLU 256.A OE2 no hydrogen 3.318 N/A HIS 257.A N LEU 252.A O no hydrogen 2.944 N/A HIS 257.A ND1 THR 300.A OG1 no hydrogen 2.889 N/A PHE 258.A N CYS 267.A O no hydrogen 3.116 N/A TYR 259.A N ASP 250.A O no hydrogen 2.794 N/A TYR 259.A OH ASP 306.A OD2 no hydrogen 2.456 N/A ILE 260.A N ALA 265.A O no hydrogen 2.800 N/A LEU 263.A N ILE 260.A O no hydrogen 2.918 N/A LYS 264.A N PRO 261.A O no hydrogen 3.153 N/A LYS 264.A NZ ASP 306.A OD1 no hydrogen 3.416 N/A ALA 265.A N ILE 260.A O no hydrogen 3.195 N/A LEU 266.A N VAL 309.A O no hydrogen 2.830 N/A CYS 267.A N PHE 258.A O no hydrogen 2.879 N/A CYS 267.A SG PHE 311.A O no hydrogen 3.671 N/A ASN 271.A N THR 268.A O no hydrogen 2.913 N/A ASN 271.A ND2 GLU 256.A OE1 no hydrogen 3.234 N/A ASN 271.A ND2 HIS 257.A NE2 no hydrogen 2.888 N/A THR 273.A OG1 THR 275.A O no hydrogen 2.897 N/A HIS 274.A N THR 314.A OG1 no hydrogen 3.055 N/A THR 275.A OG1 LEU 276.A O no hydrogen 3.062 N/A THR 275.A OG1 ARG 369.A O no hydrogen 3.451 N/A LEU 276.A N ARG 369.A O no hydrogen 2.829 N/A HIS 277.A NE2 GLU 270.A OE1 no hydrogen 2.752 N/A ASN 278.A N HIS 277.A ND1 no hydrogen 2.755 N/A PHE 279.A N ASN 378.A OD1 no hydrogen 2.831 N/A GLY 284.A N THR 281.A O no hydrogen 2.865 N/A LYS 286.A NZ GLU 187.A OE1 no hydrogen 3.438 N/A LYS 286.A NZ GLU 187.A OE2 no hydrogen 2.409 N/A ARG 288.A N PHE 279.A O no hydrogen 2.858 N/A ARG 288.A NH1 ASN 278.A O no hydrogen 3.217 N/A SER 291.A N ASP 289.A OD1 no hydrogen 3.137 N/A SER 291.A OG ASP 289.A OD1 no hydrogen 2.630 N/A LYS 292.A N ASP 289.A O no hydrogen 3.174 N/A LYS 292.A NZ ASP 289.A OD2 no hydrogen 3.038 N/A TRP 293.A N ASP 289.A O no hydrogen 3.442 N/A TRP 293.A NE1 ASN 271.A O no hydrogen 2.949 N/A THR 294.A N THR 290.A O no hydrogen 2.980 N/A THR 294.A OG1 THR 290.A O no hydrogen 3.283 N/A THR 294.A OG1 SER 291.A O no hydrogen 2.933 N/A GLU 295.A N SER 291.A O no hydrogen 3.184 N/A TYR 296.A N LYS 292.A O no hydrogen 2.865 N/A TYR 296.A OH LEU 252.A O no hydrogen 2.676 N/A LEU 297.A N TRP 293.A O no hydrogen 3.112 N/A ASN 298.A N THR 294.A O no hydrogen 2.986 N/A GLU 299.A N GLU 295.A O no hydrogen 2.825 N/A THR 300.A N TYR 296.A O no hydrogen 2.927 N/A THR 300.A OG1 HIS 257.A ND1 no hydrogen 2.889 N/A THR 300.A OG1 TYR 296.A O no hydrogen 2.827 N/A LEU 301.A N LEU 297.A O no hydrogen 3.070 N/A ASP 302.A N ASN 298.A O no hydrogen 2.906 N/A TRP 303.A NE1 ASP 250.A OD2 no hydrogen 3.138 N/A GLY 304.A N LEU 301.A O no hydrogen 2.835 N/A ASP 306.A N TRP 303.A O no hydrogen 2.989 N/A ALA 307.A N TRP 303.A O no hydrogen 3.000 N/A GLU 308.A N LYS 264.A O no hydrogen 2.903 N/A VAL 309.A N LYS 264.A O no hydrogen 3.112 N/A LEU 310.A N VAL 317.A O no hydrogen 2.846 N/A PHE 311.A N LEU 266.A O no hydrogen 2.845 N/A HIS 313.A NE2 ASP 154.A OD2 no hydrogen 2.827 N/A THR 314.A OG1 HIS 313.A O no hydrogen 2.481 N/A TRP 315.A NE1 ASP 29.A OD1 no hydrogen 3.097 N/A VAL 317.A N LEU 310.A O no hydrogen 2.975 N/A TRP 318.A NE1 VAL 92.A O no hydrogen 2.899 N/A GLY 319.A N GLU 308.A O no hydrogen 2.839 N/A ASN 320.A N GLU 308.A OE1 no hydrogen 2.999 N/A ASN 320.A ND2 GLY 304.A O no hydrogen 2.876 N/A ASN 320.A ND2 ALA 307.A O no hydrogen 2.880 N/A LYS 321.A NZ ASP 325.A OD1 no hydrogen 3.281 N/A HIS 322.A ND1 TRP 318.A O no hydrogen 2.974 N/A ILE 323.A N GLY 319.A O no hydrogen 2.791 N/A ASN 324.A N ASN 320.A O no hydrogen 3.025 N/A ASN 324.A ND2 GLY 304.A O no hydrogen 2.859 N/A ASN 324.A ND2 ASN 320.A O no hydrogen 2.891 N/A ASP 325.A N LYS 321.A O no hydrogen 2.939 N/A TYR 326.A N HIS 322.A O no hydrogen 2.832 N/A TYR 326.A OH ALA 272.A O no hydrogen 2.857 N/A ILE 327.A N ILE 323.A O no hydrogen 2.961 N/A GLY 328.A N ASN 324.A O no hydrogen 2.847 N/A LYS 329.A N ASP 325.A O no hydrogen 2.892 N/A LYS 329.A NZ ASN 365.A OD1 no hydrogen 2.676 N/A TYR 330.A N TYR 326.A O no hydrogen 3.029 N/A TYR 330.A OH THR 275.A O no hydrogen 2.683 N/A ARG 331.A N ILE 327.A O no hydrogen 2.856 N/A ARG 331.A NE ASP 332.A OD1 no hydrogen 2.866 N/A ARG 331.A NH1 ASN 298.A OD1 no hydrogen 3.063 N/A ARG 331.A NH2 ASP 332.A OD1 no hydrogen 2.932 N/A ARG 331.A NH2 ASP 332.A OD2 no hydrogen 3.494 N/A ASP 332.A N GLY 328.A O no hydrogen 2.958 N/A THR 333.A N LYS 329.A O no hydrogen 3.107 N/A THR 333.A N TYR 330.A O no hydrogen 3.134 N/A THR 333.A OG1 LYS 329.A O no hydrogen 2.792 N/A THR 333.A OG1 SER 368.A OG no hydrogen 2.689 N/A ILE 334.A N TYR 330.A O no hydrogen 3.183 N/A LYS 335.A N ARG 331.A O no hydrogen 2.824 N/A LYS 335.A NZ ASP 339.A OD2 no hydrogen 2.749 N/A TYR 336.A N ASP 332.A O no hydrogen 2.767 N/A TYR 336.A OH LYS 357.A O no hydrogen 3.168 N/A ILE 337.A N THR 333.A O no hydrogen 3.234 N/A HIS 338.A N ILE 334.A O no hydrogen 3.003 N/A HIS 338.A ND1 ASP 339.A OD1 no hydrogen 2.906 N/A HIS 338.A NE2 TYR 386.A OH no hydrogen 2.599 N/A ASP 339.A N LYS 335.A O no hydrogen 2.756 N/A GLN 340.A N TYR 336.A O no hydrogen 2.924 N/A THR 341.A N ILE 337.A O no hydrogen 3.085 N/A THR 341.A OG1 ILE 337.A O no hydrogen 2.706 N/A LEU 342.A N HIS 338.A O no hydrogen 3.192 N/A HIS 343.A N ASP 339.A O no hydrogen 2.904 N/A LEU 344.A N GLN 340.A O no hydrogen 2.949 N/A ALA 345.A N THR 341.A O no hydrogen 2.789 N/A ASN 346.A N LEU 342.A O no hydrogen 2.922 N/A GLN 347.A N LEU 344.A O no hydrogen 2.910 N/A GLY 348.A N ALA 345.A O no hydrogen 2.921 N/A TYR 349.A N LEU 344.A O no hydrogen 3.227 N/A THR 350.A N GLU 352.A OE1 no hydrogen 2.911 N/A GLU 352.A N THR 350.A OG1 no hydrogen 3.351 N/A ILE 353.A N THR 350.A O no hydrogen 2.919 N/A ASP 355.A N GLU 352.A O no hydrogen 3.094 N/A LEU 362.A N PRO 359.A O no hydrogen 2.911 N/A ALA 363.A N PRO 359.A O no hydrogen 2.784 N/A ASN 364.A N PRO 360.A O no hydrogen 2.863 N/A ASN 365.A N LEU 362.A O no hydrogen 3.096 N/A ASN 365.A ND2 SER 368.A OG no hydrogen 2.820 N/A SER 368.A N ASN 365.A O no hydrogen 2.942 N/A SER 368.A OG THR 333.A OG1 no hydrogen 2.689 N/A ARG 369.A N TRP 366.A O no hydrogen 3.299 N/A ARG 369.A NE GLU 467.A OE2 no hydrogen 2.894 N/A ARG 369.A NH1 ALA 363.A O no hydrogen 2.810 N/A ARG 369.A NH2 GLU 467.A OE1 no hydrogen 3.095 N/A ARG 369.A NH2 GLU 467.A OE2 no hydrogen 3.368 N/A TYR 371.A N THR 275.A OG1 no hydrogen 3.097 N/A TYR 371.A N ARG 369.A O no hydrogen 3.118 N/A TYR 371.A OH SER 76.A O no hydrogen 3.310 N/A TYR 371.A OH SER 76.A OG no hydrogen 2.620 N/A TYR 372.A N GLY 373.A O no hydrogen 3.192 N/A GLY 373.A N LEU 276.A O no hydrogen 2.931 N/A SER 374.A OG HIS 377.A ND1 no hydrogen 2.852 N/A HIS 377.A N SER 374.A OG no hydrogen 2.814 N/A HIS 377.A NE2 ASN 278.A OD1 no hydrogen 2.952 N/A ASN 378.A N SER 374.A O no hydrogen 2.945 N/A ASN 378.A ND2 HIS 277.A O no hydrogen 2.853 N/A ALA 379.A N VAL 375.A O no hydrogen 2.829 N/A ARG 380.A N SER 376.A O no hydrogen 3.232 N/A ARG 380.A NE SER 376.A O no hydrogen 3.140 N/A ARG 380.A NE SER 376.A OG no hydrogen 3.311 N/A ARG 380.A NH2 SER 376.A OG no hydrogen 2.934 N/A ALA 381.A N HIS 377.A O no hydrogen 2.985 N/A VAL 382.A N ASN 378.A O no hydrogen 3.067 N/A VAL 382.A N ALA 379.A O no hydrogen 3.095 N/A TYR 383.A N ALA 379.A O no hydrogen 3.229 N/A ASN 384.A N ARG 380.A O no hydrogen 2.917 N/A PHE 385.A N ALA 381.A O no hydrogen 2.879 N/A TYR 386.A N VAL 382.A O no hydrogen 3.113 N/A TYR 386.A OH HIS 338.A NE2 no hydrogen 2.599 N/A LEU 387.A N TYR 383.A O no hydrogen 2.789 N/A GLY 388.A N ASN 384.A O no hydrogen 2.895 N/A ASN 393.A N ASP 391.A OD1 no hydrogen 3.252 N/A ALA 395.A N ASN 393.A OD1 no hydrogen 3.066 N/A ASN 396.A N ASN 393.A O no hydrogen 2.735 N/A ASN 396.A ND2 ASP 391.A OD1 no hydrogen 3.087 N/A LEU 397.A N PRO 394.A O no hydrogen 3.073 N/A LYS 406.A N VAL 403.A O no hydrogen 2.900 N/A LYS 406.A NZ ALA 444.A O no hydrogen 2.858 N/A ARG 407.A N GLU 404.A O no hydrogen 3.288 N/A ARG 407.A NH1 GLU 404.A O no hydrogen 3.187 N/A ARG 407.A NH1 GLU 404.A OE1 no hydrogen 3.019 N/A VAL 409.A N GLY 405.A O no hydrogen 2.903 N/A GLN 410.A N LYS 406.A O no hydrogen 3.162 N/A ALA 411.A N ARG 407.A O no hydrogen 3.011 N/A LEU 412.A N TYR 408.A O no hydrogen 2.867 N/A GLY 413.A N GLN 410.A O no hydrogen 3.112 N/A GLY 414.A N VAL 409.A O no hydrogen 2.812 N/A ARG 417.A NH1 LEU 412.A O no hydrogen 2.837 N/A VAL 418.A N GLY 414.A O no hydrogen 3.063 N/A ILE 419.A N SER 415.A O no hydrogen 2.890 N/A ASN 420.A N ALA 416.A O no hydrogen 3.043 N/A LEU 421.A N ARG 417.A O no hydrogen 2.923 N/A ALA 422.A N VAL 418.A O no hydrogen 2.789 N/A GLN 423.A N ILE 419.A O no hydrogen 2.727 N/A GLU 424.A N ASN 420.A O no hydrogen 3.103 N/A ALA 425.A N LEU 421.A O no hydrogen 3.017 N/A ASN 426.A N ALA 422.A O no hydrogen 2.950 N/A ASN 426.A ND2 ASN 458.A OD1 no hydrogen 2.853 N/A LYS 427.A N GLN 423.A O no hydrogen 2.961 N/A GLN 428.A N GLU 424.A O no hydrogen 3.043 N/A GLN 428.A N ALA 425.A O no hydrogen 3.171 N/A GLY 429.A N ASN 426.A O no hydrogen 3.033 N/A ASP 430.A N ALA 425.A O no hydrogen 2.953 N/A TYR 431.A OH THR 8.A OG1 no hydrogen 2.680 N/A ARG 432.A NH2 ASP 355.A OD2 no hydrogen 2.873 N/A TRP 433.A N ASP 430.A O no hydrogen 3.257 N/A TRP 433.A N ASP 430.A OD1 no hydrogen 3.092 N/A SER 434.A N ASP 430.A O no hydrogen 2.957 N/A SER 434.A OG ALA 422.A O no hydrogen 2.706 N/A ALA 435.A N TYR 431.A O no hydrogen 2.919 N/A GLU 436.A N ARG 432.A O no hydrogen 3.254 N/A LEU 437.A N TRP 433.A O no hydrogen 3.129 N/A LEU 438.A N SER 434.A O no hydrogen 3.049 N/A LYS 439.A N ALA 435.A O no hydrogen 2.972 N/A LYS 439.A NZ GLU 436.A OE1 no hydrogen 2.903 N/A LYS 439.A NZ GLU 436.A OE2 no hydrogen 3.325 N/A GLN 440.A N LEU 437.A O no hydrogen 3.112 N/A GLN 440.A NE2 GLU 436.A OE2 no hydrogen 3.158 N/A VAL 441.A N LEU 437.A O no hydrogen 3.424 N/A ILE 442.A N LEU 438.A O no hydrogen 2.826 N/A ALA 443.A N LYS 439.A O no hydrogen 2.989 N/A ALA 444.A N GLN 440.A O no hydrogen 3.089 N/A ASN 445.A N VAL 441.A O no hydrogen 2.840 N/A GLY 447.A N ASN 445.A OD1 no hydrogen 3.151 N/A ASP 448.A N ASN 445.A O no hydrogen 3.031 N/A GLN 449.A NE2 GLN 449.A O no hydrogen 3.542 N/A GLN 449.A NE2 ASN 453.A OD1 no hydrogen 2.870 N/A GLN 449.A NE2 LEU 482.A O no hydrogen 2.996 N/A ALA 451.A N ASP 448.A OD1 no hydrogen 3.039 N/A LYS 452.A N ASP 448.A O no hydrogen 3.026 N/A LYS 452.A NZ PRO 446.A O no hydrogen 3.025 N/A LYS 452.A NZ GLN 449.A OE1 no hydrogen 3.432 N/A ASN 453.A N GLN 449.A O no hydrogen 2.836 N/A LEU 454.A N VAL 450.A O no hydrogen 3.202 N/A GLN 455.A N ALA 451.A O no hydrogen 2.924 N/A GLN 455.A NE2 ALA 435.A O no hydrogen 2.822 N/A ALA 456.A N LYS 452.A O no hydrogen 2.880 N/A ASN 457.A N ASN 453.A O no hydrogen 3.116 N/A ASN 458.A N LEU 454.A O no hydrogen 3.008 N/A ASN 458.A ND2 SER 434.A OG no hydrogen 2.857 N/A ASN 458.A ND2 GLN 455.A OE1 no hydrogen 3.227 N/A PHE 459.A N GLN 455.A O no hydrogen 2.908 N/A GLU 460.A N ALA 456.A O no hydrogen 2.822 N/A GLN 461.A N ASN 457.A O no hydrogen 3.123 N/A GLN 461.A NE2 ALA 6.A O no hydrogen 2.996 N/A LEU 462.A N ASN 458.A O no hydrogen 3.114 N/A GLY 463.A N PHE 459.A O no hydrogen 2.872 N/A TYR 464.A N GLU 460.A O no hydrogen 2.956 N/A TYR 464.A OH LYS 5.A O no hydrogen 2.728 N/A GLN 465.A N GLN 461.A O no hydrogen 3.040 N/A GLN 465.A NE2 THR 11.A OG1 no hydrogen 2.987 N/A ALA 466.A N GLY 463.A O no hydrogen 3.291 N/A SER 468.A OG TYR 372.A O no hydrogen 2.844 N/A ALA 469.A N TYR 371.A O no hydrogen 2.912 N/A THR 470.A N SER 468.A OG no hydrogen 3.184 N/A THR 470.A OG1 TYR 372.A O no hydrogen 3.051 N/A THR 470.A OG1 SER 468.A OG no hydrogen 3.020 N/A TRP 471.A N SER 468.A OG no hydrogen 3.319 N/A TRP 471.A NE1 HIS 377.A ND1 no hydrogen 3.096 N/A ARG 472.A N SER 468.A O no hydrogen 2.948 N/A ARG 472.A NE GLY 212.A O no hydrogen 3.042 N/A ARG 472.A NH1 THR 72.A O no hydrogen 2.826 N/A ARG 472.A NH2 ALA 210.A O no hydrogen 2.788 N/A ARG 472.A NH2 GLY 212.A O no hydrogen 2.934 N/A GLY 473.A N ALA 469.A O no hydrogen 2.885 N/A PHE 474.A N THR 470.A O no hydrogen 3.003 N/A TYR 475.A N TRP 471.A O no hydrogen 2.858 N/A LEU 476.A N ARG 472.A O no hydrogen 2.873 N/A THR 477.A N GLY 473.A O no hydrogen 3.019 N/A THR 477.A OG1 GLY 473.A O no hydrogen 2.559 N/A GLY 478.A N PHE 474.A O no hydrogen 2.926 N/A ALA 479.A N TYR 475.A O no hydrogen 3.005 N/A LYS 480.A N LEU 476.A O no hydrogen 3.046 N/A LYS 480.A NZ GLU 484.A OE1 no hydrogen 2.902 N/A LYS 480.A NZ GLU 484.A OE2 no hydrogen 3.289 N/A GLU 481.A N THR 477.A O no hydrogen 2.933 N/A LEU 482.A N GLY 478.A O no hydrogen 2.900 N/A ARG 483.A N ALA 479.A O no hydrogen 3.009 N/A ARG 483.A NH1 GLU 460.A OE2 no hydrogen 2.775 N/A ARG 483.A NH2 ASN 457.A OD1 no hydrogen 2.955 N/A ARG 483.A NH2 GLU 460.A OE1 no hydrogen 2.960 N/A ARG 483.A NH2 GLU 460.A OE2 no hydrogen 3.457 N/A GLU 484.A N LYS 480.A O no hydrogen 2.950 N/A GLY 485.A N GLU 481.A O no hydrogen 2.819 N/A HIS 487.A NE2 GLU 484.A O no hydrogen 2.682 N/A GLY 494.A N ASP 490.A O no hydrogen 3.220 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.685 N/A PHE 499.A N VAL 496.A O no hydrogen 2.817 N/A ASP 500.A N GLU 497.A O no hydrogen 2.847 N/A VAL 503.A N ASP 500.A O no hydrogen 3.262 N/A ARG 504.A N PHE 501.A O no hydrogen 2.981 N/A ARG 504.A NE ASP 591.A O no hydrogen 2.865 N/A ARG 504.A NH2 ASP 591.A O no hydrogen 3.505 N/A ASP 506.A N CYS 589.A O no hydrogen 2.877 N/A LYS 509.A N ASP 506.A OD1 no hydrogen 3.000 N/A ALA 510.A N ASP 506.A O no hydrogen 2.969 N/A ALA 511.A N ALA 508.A O no hydrogen 3.366 N/A LYS 513.A N ALA 510.A O no hydrogen 2.991 N/A LYS 513.A NZ GLU 585.A OE2 no hydrogen 2.546 N/A ILE 515.A N LEU 530.A O no hydrogen 2.783 N/A SER 516.A N ASP 546.A OD1 no hydrogen 2.734 N/A SER 516.A OG THR 529.A OG1 no hydrogen 3.377 N/A LEU 517.A N LEU 528.A O no hydrogen 2.690 N/A ASN 518.A N ALA 547.A O no hydrogen 2.874 N/A ASN 518.A ND2 GLN 542.A O no hydrogen 2.996 N/A PHE 519.A N LEU 526.A O no hydrogen 2.711 N/A ASN 520.A N PHE 549.A O no hydrogen 2.752 N/A ASP 524.A N SER 521.A O no hydrogen 3.132 N/A LEU 526.A N PHE 519.A O no hydrogen 3.078 N/A ASN 527.A N ARG 538.A O no hydrogen 2.883 N/A ASN 527.A ND2 SER 516.A OG no hydrogen 2.995 N/A ASN 527.A ND2 ASN 518.A OD1 no hydrogen 2.837 N/A LEU 528.A N LEU 517.A O no hydrogen 2.781 N/A THR 529.A N ASN 536.A O no hydrogen 2.950 N/A THR 529.A OG1 SER 516.A OG no hydrogen 3.377 N/A THR 529.A OG1 ASN 527.A OD1 no hydrogen 2.682 N/A LEU 530.A N ILE 515.A O no hydrogen 2.699 N/A ASN 531.A N VAL 534.A O no hydrogen 3.061 N/A VAL 534.A N ASN 531.A O no hydrogen 3.099 N/A ASN 536.A N THR 529.A O no hydrogen 2.988 N/A ARG 538.A N ASN 527.A O no hydrogen 2.871 N/A THR 540.A OG1 GLN 542.A OE1 no hydrogen 2.893 N/A GLN 542.A N ASN 518.A OD1 no hydrogen 3.060 N/A ALA 545.A N PRO 543.A O no hydrogen 3.054 N/A ASP 546.A N SER 516.A O no hydrogen 2.737 N/A SER 548.A N ILE 577.A O no hydrogen 2.858 N/A PHE 549.A N ASN 518.A O no hydrogen 2.708 N/A TYR 550.A N LYS 575.A O no hydrogen 2.761 N/A ILE 551.A N ASN 520.A O no hydrogen 3.190 N/A ARG 553.A NE ASP 524.A OD2 no hydrogen 2.822 N/A ARG 553.A NH1 GLU 497.A OE1 no hydrogen 2.824 N/A ARG 553.A NH1 GLU 497.A OE2 no hydrogen 3.241 N/A ARG 553.A NH2 GLU 497.A OE2 no hydrogen 2.820 N/A ARG 553.A NH2 ASP 524.A OD1 no hydrogen 2.977 N/A ARG 553.A NH2 ASP 524.A OD2 no hydrogen 3.434 N/A ASP 555.A N SER 552.A OG no hydrogen 3.004 N/A LEU 556.A N SER 552.A O no hydrogen 2.905 N/A HIS 557.A N ARG 553.A O no hydrogen 2.998 N/A ALA 558.A N GLU 554.A O no hydrogen 3.041 N/A VAL 559.A N ASP 555.A O no hydrogen 2.985 N/A LEU 560.A N LEU 556.A O no hydrogen 2.931 N/A THR 561.A N HIS 557.A O no hydrogen 2.841 N/A THR 561.A OG1 HIS 557.A O no hydrogen 2.539 N/A THR 561.A OG1 ALA 558.A O no hydrogen 3.456 N/A GLY 562.A N VAL 559.A O no hydrogen 3.293 N/A GLN 563.A N ALA 558.A O no hydrogen 2.803 N/A GLN 563.A NE2 THR 561.A OG1 no hydrogen 2.965 N/A LEU 568.A N LYS 565.A O no hydrogen 3.118 N/A LYS 570.A N ALA 566.A O no hydrogen 3.083 N/A LYS 570.A NZ ALA 566.A O no hydrogen 3.533 N/A ALA 571.A N ASP 567.A O no hydrogen 2.869 N/A LYS 573.A N LEU 568.A O no hydrogen 3.034 N/A ALA 574.A N LEU 568.A O no hydrogen 3.038 N/A LYS 575.A N TYR 550.A O no hydrogen 2.978 N/A ILE 577.A N SER 548.A O no hydrogen 2.826 N/A ASN 579.A N ASP 546.A O no hydrogen 2.928 N/A ALA 581.A N ASN 579.A OD1 no hydrogen 3.186 N/A LYS 582.A N ASN 579.A O no hydrogen 3.249 N/A LYS 582.A NZ GLU 585.A OE1 no hydrogen 2.810 N/A LEU 583.A N GLY 580.A O no hydrogen 3.443 N/A GLU 585.A N ALA 581.A O no hydrogen 3.170 N/A ILE 586.A N LYS 582.A O no hydrogen 3.116 N/A ILE 587.A N LEU 583.A O no hydrogen 3.035 N/A ALA 588.A N GLU 584.A O no hydrogen 2.875 N/A CYS 589.A N ILE 586.A O no hydrogen 2.878 N/A CYS 589.A SG LYS 509.A O no hydrogen 3.830 N/A CYS 589.A SG GLU 585.A O no hydrogen 3.544 N/A LEU 590.A N ILE 587.A O no hydrogen 3.053 N/A ASP 591.A N ARG 504.A O no hydrogen 2.809 N/A ASN 592.A N ASP 591.A OD1 no hydrogen 2.824 N/A TRP 596.A N ASP 594.A OD2 no hydrogen 2.973 N/A ASN 598.A N ASN 603.A OD1 no hydrogen 2.820 N/A ASN 598.A ND2 PRO 602.A O no hydrogen 2.978 N/A ASN 603.A ND2 ASN 598.A O no hydrogen 3.017 N/A