Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wou_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N THR 3.A OG1 no hydrogen 2.989 N/A HIS 5.A NE2 GLY 163.A O no hydrogen 2.822 N/A GLN 6.A NE2 ASN 4.A O no hydrogen 3.596 N/A LEU 8.A N HIS 5.A ND1 no hydrogen 2.887 N/A LEU 9.A N HIS 5.A O no hydrogen 2.978 N/A SER 10.A N GLN 6.A O no hydrogen 2.858 N/A SER 10.A OG GLN 6.A O no hydrogen 2.782 N/A TRP 11.A N GLY 7.A O no hydrogen 3.161 N/A VAL 12.A N LEU 8.A O no hydrogen 3.030 N/A GLU 13.A N LEU 9.A O no hydrogen 3.011 N/A GLU 14.A N SER 10.A O no hydrogen 2.906 N/A VAL 15.A N TRP 11.A O no hydrogen 2.889 N/A ALA 16.A N VAL 12.A O no hydrogen 2.871 N/A GLU 17.A N GLU 13.A O no hydrogen 2.875 N/A LEU 18.A N GLU 14.A O no hydrogen 3.304 N/A THR 19.A N VAL 15.A O no hydrogen 2.888 N/A THR 19.A OG1 VAL 15.A O no hydrogen 3.268 N/A GLN 20.A N ALA 16.A O no hydrogen 2.760 N/A ASP 22.A N ARG 112.A O no hydrogen 2.907 N/A VAL 25.A N MET 114.A O no hydrogen 2.940 N/A THR 27.A N VAL 116.A O no hydrogen 3.170 N/A THR 27.A OG1 VAL 116.A O no hydrogen 3.382 N/A ASP 28.A N GLU 33.A OE2 no hydrogen 2.953 N/A GLY 29.A N GLU 33.A OE1 no hydrogen 2.770 N/A SER 30.A N ASP 28.A OD1 no hydrogen 2.921 N/A SER 30.A OG ASP 28.A OD1 no hydrogen 2.978 N/A GLU 33.A N SER 30.A OG no hydrogen 3.158 N/A PHE 34.A N SER 30.A O no hydrogen 3.023 N/A GLN 35.A N GLU 31.A O no hydrogen 3.002 N/A ARG 36.A N GLU 32.A O no hydrogen 2.984 N/A LEU 37.A N GLU 33.A O no hydrogen 2.851 N/A CYS 38.A N PHE 34.A O no hydrogen 2.927 N/A CYS 38.A SG PHE 34.A O no hydrogen 3.346 N/A ASP 39.A N GLN 35.A O no hydrogen 2.978 N/A GLN 40.A N ARG 36.A O no hydrogen 3.103 N/A LEU 41.A N LEU 37.A O no hydrogen 2.844 N/A VAL 42.A N CYS 38.A O no hydrogen 2.826 N/A GLU 43.A N ASP 39.A O no hydrogen 3.033 N/A ALA 44.A N GLN 40.A O no hydrogen 3.049 N/A GLY 45.A N VAL 42.A O no hydrogen 2.991 N/A THR 46.A OG1 ALA 184.A O no hydrogen 2.570 N/A PHE 47.A N LEU 41.A O no hydrogen 3.034 N/A ILE 48.A N LEU 60.A O no hydrogen 2.795 N/A LEU 50.A N SER 58.A O no hydrogen 2.879 N/A ASN 51.A ND2 ASP 340.A O no hydrogen 3.510 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 3.052 N/A LYS 54.A N ASN 51.A O no hydrogen 3.131 N/A HIS 55.A N ASN 51.A O no hydrogen 3.144 N/A ASN 57.A ND2 ASN 329.A OD1 no hydrogen 2.678 N/A SER 58.A OG LYS 56.A O no hydrogen 2.985 N/A TYR 59.A N THR 330.A O no hydrogen 2.922 N/A TYR 59.A OH ASN 57.A OD1 no hydrogen 2.843 N/A LEU 60.A N ILE 48.A O no hydrogen 2.922 N/A ALA 61.A N PHE 332.A O no hydrogen 2.823 N/A SER 63.A N ASN 334.A OD1 no hydrogen 2.877 N/A SER 63.A OG ASP 64.A O no hydrogen 3.067 N/A SER 66.A N ASP 64.A OD1 no hydrogen 2.923 N/A SER 66.A OG ASP 64.A OD1 no hydrogen 2.790 N/A ASP 67.A N ASP 64.A O no hydrogen 2.928 N/A GLU 72.A N GLU 72.A OE2 no hydrogen 3.168 N/A ARG 74.A N VAL 71.A O no hydrogen 3.056 N/A ARG 74.A NE LYS 191.A O no hydrogen 2.848 N/A ARG 74.A NH2 LYS 191.A O no hydrogen 3.173 N/A THR 75.A N GLU 72.A O no hydrogen 3.140 N/A THR 75.A OG1 VAL 71.A O no hydrogen 2.686 N/A TYR 76.A N ILE 193.A O no hydrogen 2.827 N/A ILE 77.A N ASN 90.A O no hydrogen 2.842 N/A CYS 78.A N HIS 195.A O no hydrogen 2.835 N/A CYS 78.A SG MET 92.A O no hydrogen 3.376 N/A SER 79.A OG LYS 81.A O no hydrogen 2.621 N/A ALA 80.A N GLU 198.A OE2 no hydrogen 2.672 N/A ASP 84.A N LYS 81.A O no hydrogen 3.187 N/A ALA 85.A N GLU 82.A O no hydrogen 2.954 N/A GLY 86.A N GLU 82.A O no hydrogen 3.093 N/A ASN 89.A N GLY 86.A O no hydrogen 3.113 N/A ASN 89.A ND2 ALA 85.A O no hydrogen 2.820 N/A ASN 89.A ND2 LEU 459.A O no hydrogen 3.067 N/A ASN 90.A ND2 THR 75.A O no hydrogen 2.913 N/A TRP 91.A NE1 SER 79.A O no hydrogen 2.686 N/A GLU 96.A N ASP 93.A OD1 no hydrogen 2.822 N/A MET 97.A N ASP 93.A O no hydrogen 2.938 N/A ARG 98.A N PRO 94.A O no hydrogen 2.969 N/A SER 99.A N GLY 95.A O no hydrogen 3.090 N/A SER 99.A OG GLY 95.A O no hydrogen 3.053 N/A ILE 100.A N GLU 96.A O no hydrogen 3.071 N/A MET 101.A N MET 97.A O no hydrogen 2.794 N/A LYS 102.A N ARG 98.A O no hydrogen 2.652 N/A ASP 103.A N SER 99.A O no hydrogen 3.410 N/A LEU 104.A N ILE 100.A O no hydrogen 3.173 N/A TYR 105.A N MET 101.A O no hydrogen 2.676 N/A TYR 105.A OH LEU 169.A O no hydrogen 3.418 N/A TYR 105.A OH SER 204.A O no hydrogen 2.709 N/A ARG 106.A N LYS 102.A O no hydrogen 3.008 N/A GLY 107.A N LEU 18.A O no hydrogen 2.728 N/A CYS 108.A N TYR 105.A O no hydrogen 2.826 N/A CYS 108.A SG TYR 105.A O no hydrogen 3.111 N/A CYS 108.A SG SER 171.A OG no hydrogen 3.277 N/A MET 109.A N THR 19.A O no hydrogen 3.027 N/A ARG 110.A N GLY 107.A O no hydrogen 3.353 N/A ARG 110.A NE GLU 177.A OE2 no hydrogen 2.932 N/A ARG 110.A NH2 GLU 177.A OE1 no hydrogen 2.317 N/A GLY 111.A N ASP 22.A OD1 no hydrogen 3.133 N/A ARG 112.A N MET 109.A O no hydrogen 3.101 N/A ARG 112.A NE ALA 174.A O no hydrogen 2.953 N/A ARG 112.A NH1 ASP 182.A OD1 no hydrogen 3.551 N/A ARG 112.A NH1 ASP 182.A OD2 no hydrogen 2.672 N/A ARG 112.A NH2 ALA 174.A O no hydrogen 2.800 N/A ARG 112.A NH2 ASP 182.A OD1 no hydrogen 3.116 N/A MET 114.A N ARG 23.A O no hydrogen 2.881 N/A TYR 115.A N THR 136.A O no hydrogen 2.807 N/A VAL 116.A N VAL 25.A O no hydrogen 2.843 N/A VAL 117.A N GLU 134.A O no hydrogen 2.753 N/A PHE 119.A N GLY 132.A O no hydrogen 2.896 N/A CYS 120.A N ARG 150.A O no hydrogen 2.837 N/A CYS 120.A SG GLY 122.A O no hydrogen 3.446 N/A MET 121.A N LYS 130.A O no hydrogen 2.867 N/A GLY 122.A N PRO 302.A O no hydrogen 2.812 N/A ALA 126.A N PRO 123.A O no hydrogen 3.386 N/A LYS 130.A NZ ASP 128.A OD2 no hydrogen 3.512 N/A LYS 130.A NZ GLU 232.A OE1 no hydrogen 2.830 N/A LYS 130.A NZ GLU 232.A OE2 no hydrogen 3.082 N/A GLY 132.A N PHE 119.A O no hydrogen 3.046 N/A VAL 133.A N VAL 166.A O no hydrogen 2.997 N/A GLU 134.A N VAL 117.A O no hydrogen 2.730 N/A ILE 135.A N ALA 168.A O no hydrogen 2.839 N/A THR 136.A N TYR 115.A O no hydrogen 3.047 N/A THR 136.A OG1 HIS 170.A ND1 no hydrogen 2.751 N/A SER 138.A N THR 136.A OG1 no hydrogen 2.913 N/A TYR 140.A OH THR 333.A OG1 no hydrogen 2.723 N/A VAL 141.A N SER 138.A OG no hydrogen 3.053 N/A VAL 142.A N SER 138.A O no hydrogen 3.203 N/A VAL 143.A N GLU 139.A O no hydrogen 2.981 N/A SER 144.A N TYR 140.A O no hydrogen 3.039 N/A MET 145.A N VAL 141.A O no hydrogen 2.744 N/A ARG 146.A N VAL 142.A O no hydrogen 3.054 N/A ARG 146.A N VAL 143.A O no hydrogen 3.185 N/A ARG 146.A NE GLY 29.A O no hydrogen 2.826 N/A ARG 146.A NH2 GLY 29.A O no hydrogen 3.091 N/A THR 147.A N VAL 143.A O no hydrogen 3.440 N/A MET 148.A N SER 144.A O no hydrogen 2.903 N/A THR 149.A N MET 145.A O no hydrogen 2.921 N/A THR 149.A OG1 MET 145.A O no hydrogen 2.606 N/A ARG 150.A NH1 GLU 303.A O no hydrogen 3.276 N/A ARG 150.A NH2 ASP 394.A OD2 no hydrogen 2.627 N/A GLY 152.A N PRO 118.A O no hydrogen 2.751 N/A LYS 153.A N ASP 28.A O no hydrogen 2.755 N/A LYS 153.A NZ GLU 157.A OE2 no hydrogen 2.381 N/A LEU 156.A N GLY 152.A O no hydrogen 3.100 N/A GLU 157.A N LYS 153.A O no hydrogen 2.934 N/A LYS 158.A N ALA 154.A O no hydrogen 2.978 N/A MET 159.A N LEU 156.A O no hydrogen 3.209 N/A GLY 160.A N GLU 157.A O no hydrogen 3.140 N/A GLY 163.A N MET 159.A O no hydrogen 2.904 N/A VAL 166.A N LEU 131.A O no hydrogen 2.920 N/A ALA 168.A N VAL 133.A O no hydrogen 3.025 N/A LEU 169.A N ILE 202.A O no hydrogen 2.727 N/A HIS 170.A N ILE 135.A O no hydrogen 2.718 N/A HIS 170.A ND1 THR 136.A OG1 no hydrogen 2.751 N/A HIS 170.A NE2 SER 207.A O no hydrogen 2.759 N/A SER 171.A N SER 204.A O no hydrogen 3.224 N/A SER 171.A OG ASP 137.A OD2 no hydrogen 2.790 N/A VAL 172.A N ASP 137.A OD1 no hydrogen 2.988 N/A GLY 173.A N SER 171.A OG no hydrogen 2.972 N/A LEU 176.A N ARG 110.A O no hydrogen 2.693 N/A GLU 177.A N GLN 180.A OE1 no hydrogen 2.947 N/A GLN 180.A N GLU 177.A O no hydrogen 2.785 N/A VAL 183.A N ASP 182.A OD1 no hydrogen 2.651 N/A TRP 185.A NE1 ASP 67.A OD2 no hydrogen 2.740 N/A SER 188.A N GLY 206.A O no hydrogen 2.802 N/A SER 188.A OG THR 190.A O no hydrogen 3.497 N/A THR 190.A N SER 188.A OG no hydrogen 3.009 N/A LYS 191.A NZ ASP 67.A OD1 no hydrogen 3.372 N/A LYS 191.A NZ SER 188.A O no hydrogen 2.663 N/A LYS 191.A NZ GLY 206.A O no hydrogen 3.156 N/A TYR 192.A N TYR 205.A O no hydrogen 2.975 N/A ILE 193.A N ARG 74.A O no hydrogen 2.956 N/A THR 194.A N TRP 203.A O no hydrogen 2.848 N/A HIS 195.A N TYR 76.A O no hydrogen 2.953 N/A HIS 195.A ND1 TYR 76.A O no hydrogen 2.802 N/A PHE 196.A N GLU 201.A O no hydrogen 2.756 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.715 N/A THR 199.A OG1 PHE 196.A O no hydrogen 3.467 N/A ARG 200.A N PRO 197.A O no hydrogen 3.223 N/A ARG 200.A NH1 PRO 197.A O no hydrogen 2.793 N/A ARG 200.A NH2 ASP 231.A OD2 no hydrogen 3.047 N/A GLU 201.A N PHE 196.A O no hydrogen 2.943 N/A ILE 202.A N LYS 167.A O no hydrogen 2.919 N/A TRP 203.A N THR 194.A O no hydrogen 2.869 N/A SER 204.A N LEU 169.A O no hydrogen 2.709 N/A SER 204.A OG ASN 212.A O no hydrogen 2.756 N/A TYR 205.A N TYR 192.A O no hydrogen 2.840 N/A GLY 206.A N SER 171.A O no hydrogen 2.802 N/A SER 207.A OG ASP 67.A OD1 no hydrogen 2.584 N/A SER 207.A OG ASP 67.A OD2 no hydrogen 3.505 N/A GLY 208.A N ASP 67.A OD2 no hydrogen 2.890 N/A TYR 209.A N SER 207.A OG no hydrogen 3.179 N/A ASN 212.A N TYR 209.A O no hydrogen 3.009 N/A ASN 212.A ND2 SER 207.A OG no hydrogen 3.029 N/A ALA 213.A N GLY 210.A O no hydrogen 2.923 N/A LEU 214.A N GLY 210.A O no hydrogen 2.721 N/A LEU 215.A N GLU 134.A OE1 no hydrogen 3.144 N/A LYS 217.A N LEU 214.A O no hydrogen 3.139 N/A LYS 217.A NZ LYS 217.A O no hydrogen 3.241 N/A LYS 217.A NZ ASP 285.A OD2 no hydrogen 2.548 N/A LYS 217.A NZ GLU 303.A OE1 no hydrogen 2.925 N/A LYS 217.A NZ GLU 303.A OE2 no hydrogen 3.096 N/A LYS 218.A NZ HIS 238.A NE2 no hydrogen 3.269 N/A LYS 218.A NZ ASP 285.A OD1 no hydrogen 3.174 N/A LYS 218.A NZ ASP 285.A OD2 no hydrogen 2.688 N/A CYS 219.A SG HIS 195.A NE2 no hydrogen 3.443 N/A CYS 219.A SG GLY 211.A O no hydrogen 3.681 N/A TYR 220.A N LEU 215.A O no hydrogen 2.882 N/A TYR 220.A OH LEU 131.A O no hydrogen 2.813 N/A SER 221.A N GLY 216.A O no hydrogen 3.133 N/A SER 221.A OG GLY 216.A O no hydrogen 3.255 N/A SER 221.A OG LYS 217.A O no hydrogen 2.345 N/A LEU 222.A N LYS 218.A O no hydrogen 3.070 N/A ARG 223.A N LYS 218.A O no hydrogen 3.142 N/A ARG 223.A NE PRO 457.A O no hydrogen 3.164 N/A ARG 223.A NH1 HIS 195.A NE2 no hydrogen 3.296 N/A ARG 223.A NH2 PRO 457.A O no hydrogen 3.019 N/A ILE 224.A N CYS 219.A O no hydrogen 2.941 N/A ALA 225.A N TYR 220.A O no hydrogen 2.893 N/A SER 226.A N LEU 222.A O no hydrogen 2.839 N/A SER 226.A OG LEU 222.A O no hydrogen 2.829 N/A SER 226.A OG ARG 223.A O no hydrogen 3.085 N/A MET 228.A N ILE 224.A O no hydrogen 2.997 N/A ALA 229.A N ALA 225.A O no hydrogen 2.772 N/A HIS 230.A N SER 226.A O no hydrogen 2.867 N/A ASP 231.A N ALA 227.A O no hydrogen 3.192 N/A GLU 232.A N MET 228.A O no hydrogen 2.825 N/A GLU 232.A N ALA 229.A O no hydrogen 3.286 N/A GLY 233.A N ALA 229.A O no hydrogen 2.885 N/A TRP 234.A N ALA 229.A O no hydrogen 3.195 N/A TRP 234.A NE1 GLU 232.A OE1 no hydrogen 2.973 N/A LEU 235.A N MET 289.A O no hydrogen 2.865 N/A GLU 237.A N ALA 287.A O no hydrogen 2.813 N/A HIS 238.A ND1 ALA 454.A O no hydrogen 2.877 N/A HIS 238.A NE2 ASP 285.A OD1 no hydrogen 2.998 N/A LEU 240.A N ALA 256.A O no hydrogen 3.039 N/A ILE 241.A N GLY 283.A O no hydrogen 2.848 N/A LEU 242.A N PHE 254.A O no hydrogen 2.851 N/A LYS 243.A N GLU 280.A O no hydrogen 2.758 N/A LYS 243.A NZ GLU 392.A OE1 no hydrogen 3.356 N/A LYS 243.A NZ GLU 392.A OE2 no hydrogen 2.631 N/A LEU 244.A N TYR 252.A O no hydrogen 2.764 N/A ILE 245.A N ARG 278.A O no hydrogen 2.763 N/A SER 246.A N LYS 250.A O no hydrogen 2.927 N/A SER 246.A OG GLU 248.A OE1 no hydrogen 2.954 N/A ASN 249.A N SER 246.A O no hydrogen 2.736 N/A LYS 250.A N SER 246.A OG no hydrogen 3.210 N/A LYS 250.A NZ GLU 519.A OE2 no hydrogen 3.116 N/A TYR 252.A N LEU 244.A O no hydrogen 2.674 N/A TYR 252.A OH GLU 519.A OE2 no hydrogen 2.654 N/A PHE 254.A N LEU 242.A O no hydrogen 2.935 N/A ALA 255.A N GLY 403.A O no hydrogen 3.033 N/A ALA 256.A N LEU 240.A O no hydrogen 3.174 N/A ALA 257.A N LEU 405.A O no hydrogen 2.847 N/A CYS 262.A N PRO 259.A O no hydrogen 3.056 N/A CYS 262.A SG SER 260.A O no hydrogen 3.915 N/A CYS 262.A SG SER 435.A OG no hydrogen 3.435 N/A CYS 262.A SG GLN 437.A OE1 no hydrogen 3.109 N/A LYS 264.A NZ HIS 238.A NE2 no hydrogen 3.495 N/A LYS 264.A NZ ASP 284.A O no hydrogen 2.948 N/A LYS 264.A NZ ASP 285.A OD1 no hydrogen 3.062 N/A THR 265.A OG1 ASP 284.A OD2 no hydrogen 3.419 N/A LEU 267.A N GLY 263.A O no hydrogen 3.048 N/A ALA 268.A N LYS 264.A O no hydrogen 2.969 N/A MET 269.A N THR 265.A O no hydrogen 3.014 N/A MET 269.A N ASN 266.A O no hydrogen 3.266 N/A LEU 270.A N LEU 267.A O no hydrogen 3.175 N/A THR 273.A N SER 508.A OG no hydrogen 3.230 N/A THR 273.A OG1 GLU 506.A OE2 no hydrogen 2.801 N/A THR 273.A OG1 SER 508.A OG no hydrogen 3.348 N/A TRP 277.A N ILE 274.A O no hydrogen 3.158 N/A ARG 278.A N ILE 245.A O no hydrogen 2.981 N/A ARG 278.A NH2 ASN 249.A OD1 no hydrogen 2.817 N/A GLU 280.A N LYS 243.A O no hydrogen 2.798 N/A THR 281.A N ILE 388.A O no hydrogen 2.916 N/A THR 281.A OG1 ILE 241.A O no hydrogen 3.386 N/A LEU 282.A N ILE 241.A O no hydrogen 2.961 N/A GLY 283.A N THR 281.A OG1 no hydrogen 2.957 N/A ALA 287.A N GLU 237.A O no hydrogen 2.821 N/A TRP 288.A N VAL 300.A O no hydrogen 2.926 N/A TRP 288.A NE1 SER 221.A O no hydrogen 2.898 N/A MET 289.A N LEU 235.A O no hydrogen 2.806 N/A ARG 290.A N TYR 298.A O no hydrogen 2.961 N/A GLY 292.A N ARG 296.A O no hydrogen 2.863 N/A GLY 295.A N GLY 292.A O no hydrogen 3.163 N/A ARG 296.A NE ASP 294.A OD2 no hydrogen 3.071 N/A ARG 296.A NE TYR 298.A OH no hydrogen 3.538 N/A ARG 296.A NH2 ASP 294.A OD2 no hydrogen 3.317 N/A ARG 296.A NH2 TYR 298.A OH no hydrogen 3.472 N/A TYR 298.A N ARG 290.A O no hydrogen 2.761 N/A ALA 299.A N VAL 399.A O no hydrogen 2.845 N/A VAL 300.A N TRP 288.A O no hydrogen 2.900 N/A ASN 301.A ND2 LEU 282.A O no hydrogen 2.933 N/A GLU 303.A N ASN 301.A OD1 no hydrogen 2.885 N/A PHE 304.A N MET 148.A O no hydrogen 3.014 N/A PHE 306.A N THR 381.A O no hydrogen 2.748 N/A GLY 308.A N TYR 379.A O no hydrogen 2.974 N/A ALA 310.A N SER 377.A O no hydrogen 2.901 N/A GLY 312.A N GLU 346.A O no hydrogen 3.024 N/A THR 313.A N ALA 310.A O no hydrogen 2.960 N/A THR 313.A OG1 VAL 309.A O no hydrogen 2.915 N/A THR 313.A OG1 ALA 310.A O no hydrogen 2.820 N/A ASN 314.A N SER 317.A OG no hydrogen 2.677 N/A ASN 314.A ND2 GLY 347.A O no hydrogen 3.059 N/A TRP 315.A N GLU 349.A OE1 no hydrogen 3.334 N/A TRP 315.A N GLU 349.A OE2 no hydrogen 3.077 N/A LYS 316.A N ASN 314.A OD1 no hydrogen 2.887 N/A SER 317.A N ASN 314.A OD1 no hydrogen 2.506 N/A SER 317.A OG GLY 312.A O no hydrogen 3.013 N/A SER 317.A OG ASN 314.A O no hydrogen 3.198 N/A ASN 318.A N ASN 314.A O no hydrogen 2.701 N/A ALA 321.A N ASN 318.A OD1 no hydrogen 2.938 N/A MET 322.A N ASN 318.A O no hydrogen 3.112 N/A ARG 323.A N PRO 319.A O no hydrogen 2.870 N/A THR 324.A N ASN 320.A O no hydrogen 3.003 N/A THR 324.A OG1 ASN 320.A O no hydrogen 2.566 N/A ILE 325.A N ALA 321.A O no hydrogen 3.080 N/A ALA 326.A N MET 322.A O no hydrogen 2.876 N/A ALA 327.A N ARG 323.A O no hydrogen 3.291 N/A GLY 328.A N ILE 325.A O no hydrogen 2.912 N/A ASN 329.A N LYS 56.A O no hydrogen 2.752 N/A ASN 329.A ND2 GLN 385.A OE1 no hydrogen 2.944 N/A THR 330.A N SER 58.A OG no hydrogen 3.337 N/A THR 330.A OG1 GLY 328.A O no hydrogen 2.882 N/A THR 330.A OG1 THR 381.A OG1 no hydrogen 3.013 N/A VAL 331.A N CYS 380.A O no hydrogen 3.097 N/A PHE 332.A N TYR 59.A O no hydrogen 2.812 N/A THR 333.A N ARG 378.A O no hydrogen 2.890 N/A THR 333.A OG1 TYR 140.A OH no hydrogen 2.723 N/A ASN 334.A N ALA 61.A O no hydrogen 2.887 N/A ASN 334.A ND2 SER 63.A OG no hydrogen 3.063 N/A ALA 336.A N TRP 344.A O no hydrogen 2.864 N/A LEU 337.A N ILE 356.A O no hydrogen 3.009 N/A THR 338.A N ASP 342.A O no hydrogen 2.750 N/A THR 338.A OG1 ASP 340.A OD1 no hydrogen 2.453 N/A THR 338.A OG1 ASP 342.A O no hydrogen 3.253 N/A GLY 341.A N THR 338.A O no hydrogen 2.975 N/A ASP 342.A N THR 338.A OG1 no hydrogen 2.782 N/A TRP 344.A N ALA 336.A O no hydrogen 2.883 N/A TRP 345.A NE1 THR 313.A O no hydrogen 2.792 N/A GLU 346.A N GLU 346.A OE1 no hydrogen 2.688 N/A LEU 348.A N TRP 345.A O no hydrogen 2.910 N/A GLN 353.A NE2 ASP 351.A O no hydrogen 2.786 N/A HIS 354.A ND1 ASP 339.A OD1 no hydrogen 2.704 N/A HIS 354.A NE2 ASP 362.A OD1 no hydrogen 2.638 N/A LEU 355.A N TRP 363.A O no hydrogen 2.987 N/A ILE 356.A N LEU 337.A O no hydrogen 2.987 N/A ASP 357.A N ASN 361.A O no hydrogen 2.731 N/A LYS 359.A N ASP 357.A OD1 no hydrogen 2.937 N/A GLY 360.A N ASP 357.A O no hydrogen 3.054 N/A ASN 361.A N ASP 357.A OD1 no hydrogen 2.900 N/A TRP 363.A N LEU 355.A O no hydrogen 2.796 N/A TRP 363.A NE1 THR 370.A O no hydrogen 3.127 N/A TYR 364.A N THR 368.A OG1 no hydrogen 2.692 N/A PHE 365.A N GLN 353.A O no hydrogen 2.995 N/A GLU 367.A N TYR 364.A O no hydrogen 3.139 N/A THR 368.A N TYR 364.A O no hydrogen 3.093 N/A THR 368.A OG1 TYR 364.A O no hydrogen 3.549 N/A ALA 372.A N GLU 346.A OE2 no hydrogen 2.628 N/A ALA 373.A N GLU 346.A OE1 no hydrogen 3.182 N/A HIS 374.A N ASN 334.A O no hydrogen 2.808 N/A ASN 376.A N HIS 374.A ND1 no hydrogen 2.919 N/A SER 377.A N HIS 374.A O no hydrogen 3.031 N/A SER 377.A OG HIS 374.A O no hydrogen 2.738 N/A ARG 378.A N THR 333.A O no hydrogen 3.121 N/A ARG 378.A NE GLY 308.A O no hydrogen 3.470 N/A ARG 378.A NH2 PHE 307.A O no hydrogen 2.959 N/A TYR 379.A N GLY 308.A O no hydrogen 2.969 N/A CYS 380.A N VAL 331.A O no hydrogen 2.847 N/A THR 381.A N PHE 306.A O no hydrogen 2.974 N/A THR 381.A OG1 THR 330.A OG1 no hydrogen 3.013 N/A MET 383.A N PHE 304.A O no hydrogen 3.218 N/A GLN 385.A N PRO 382.A O no hydrogen 3.432 N/A GLN 385.A NE2 THR 324.A O no hydrogen 2.938 N/A GLN 385.A NE2 GLY 328.A O no hydrogen 2.983 N/A CYS 386.A N MET 383.A O no hydrogen 2.905 N/A LEU 389.A N CYS 386.A O no hydrogen 3.092 N/A ALA 390.A N THR 281.A O no hydrogen 2.874 N/A TRP 393.A N ALA 390.A O no hydrogen 3.103 N/A ASP 395.A N GLU 392.A O no hydrogen 3.058 N/A GLN 397.A N ASP 395.A OD1 no hydrogen 3.009 N/A GLY 398.A N ASP 395.A O no hydrogen 3.116 N/A VAL 399.A N ALA 299.A O no hydrogen 2.988 N/A ILE 401.A N LEU 297.A O no hydrogen 2.831 N/A SER 402.A N TYR 253.A O no hydrogen 2.904 N/A ILE 404.A N LYS 484.A O no hydrogen 2.902 N/A LEU 405.A N ALA 255.A O no hydrogen 2.825 N/A PHE 406.A N PHE 486.A O no hydrogen 2.952 N/A GLY 407.A N ALA 257.A O no hydrogen 3.426 N/A ARG 409.A N SER 435.A OG no hydrogen 3.174 N/A ARG 409.A NE ALA 261.A O no hydrogen 2.980 N/A ARG 409.A NH2 ALA 261.A O no hydrogen 3.057 N/A ARG 410.A N ASN 489.A OD1 no hydrogen 3.431 N/A ARG 410.A NE GLU 436.A OE1 no hydrogen 3.469 N/A ARG 410.A NH1 GLU 564.A OE2 no hydrogen 2.935 N/A ARG 410.A NH2 GLU 564.A OE1 no hydrogen 2.856 N/A LYS 411.A N GLU 436.A OE1 no hydrogen 3.459 N/A LYS 411.A N GLU 436.A OE2 no hydrogen 2.941 N/A THR 412.A OG1 THR 413.A OG1 no hydrogen 2.721 N/A THR 413.A OG1 THR 412.A OG1 no hydrogen 2.721 N/A VAL 414.A N THR 412.A O no hydrogen 2.739 N/A LEU 416.A N ALA 553.A O no hydrogen 2.925 N/A THR 418.A N PHE 487.A O no hydrogen 2.821 N/A GLU 419.A N THR 531.A O no hydrogen 2.805 N/A ALA 420.A N VAL 485.A O no hydrogen 2.889 N/A ARG 421.A N HIS 425.A ND1 no hydrogen 3.019 N/A TRP 423.A NE1 TRP 470.A O no hydrogen 2.970 N/A GLN 424.A NE2 GLU 586.A OE1 no hydrogen 2.822 N/A HIS 425.A N ASP 422.A OD1 no hydrogen 2.977 N/A GLY 426.A N ASP 422.A O no hydrogen 2.923 N/A VAL 427.A N TRP 423.A O no hydrogen 2.898 N/A PHE 428.A N GLN 424.A O no hydrogen 3.084 N/A ILE 429.A N HIS 425.A O no hydrogen 2.910 N/A GLY 430.A N GLY 426.A O no hydrogen 2.976 N/A ALA 431.A N VAL 427.A O no hydrogen 2.713 N/A THR 432.A N PHE 428.A O no hydrogen 3.098 N/A THR 432.A N ILE 429.A O no hydrogen 3.371 N/A THR 432.A OG1 PHE 428.A O no hydrogen 2.783 N/A THR 432.A OG1 ILE 429.A O no hydrogen 3.467 N/A LEU 433.A N GLY 430.A O no hydrogen 3.163 N/A SER 435.A N ARG 449.A O no hydrogen 2.780 N/A SER 435.A OG GLN 437.A OE1 no hydrogen 2.498 N/A GLU 436.A N ARG 409.A O no hydrogen 2.760 N/A GLN 437.A N SER 435.A O no hydrogen 2.890 N/A GLN 437.A NE2 SER 260.A O no hydrogen 2.867 N/A THR 438.A OG1 GLY 443.A O no hydrogen 2.075 N/A GLU 442.A N ALA 439.A O no hydrogen 2.989 N/A GLY 443.A N ALA 439.A O no hydrogen 2.851 N/A ARG 449.A N SER 435.A O no hydrogen 2.986 N/A ARG 449.A NH2 GLU 442.A OE1 no hydrogen 3.294 N/A ARG 450.A NH1 THR 432.A O no hydrogen 2.794 N/A ARG 450.A NH1 GLU 564.A OE2 no hydrogen 3.141 N/A ARG 450.A NH2 GLU 564.A OE2 no hydrogen 2.598 N/A ASP 451.A N LEU 433.A O no hydrogen 2.782 N/A MET 453.A N GLY 430.A O no hydrogen 3.068 N/A ALA 454.A N ASP 451.A O no hydrogen 2.917 N/A MET 455.A N PRO 452.A O no hydrogen 2.722 N/A LEU 456.A N ASP 451.A OD1 no hydrogen 2.870 N/A PHE 458.A N MET 455.A O no hydrogen 2.810 N/A GLY 460.A N SER 226.A OG no hydrogen 2.981 N/A ASN 462.A ND2 ILE 83.A O no hydrogen 2.769 N/A GLY 464.A N ASN 462.A OD1 no hydrogen 2.715 N/A ASP 465.A N ASN 462.A OD1 no hydrogen 3.391 N/A TYR 466.A N ASN 462.A O no hydrogen 2.947 N/A TYR 466.A OH GLU 237.A OE1 no hydrogen 2.644 N/A TYR 466.A OH GLU 237.A OE2 no hydrogen 3.417 N/A PHE 467.A N VAL 463.A O no hydrogen 3.047 N/A GLN 468.A N GLY 464.A O no hydrogen 2.973 N/A GLN 468.A NE2 GLN 468.A O no hydrogen 3.490 N/A GLN 468.A NE2 ASN 472.A OD1 no hydrogen 3.029 N/A HIS 469.A N ASP 465.A O no hydrogen 2.858 N/A HIS 469.A NE2 TRP 234.A O no hydrogen 2.836 N/A TRP 470.A N TYR 466.A O no hydrogen 2.963 N/A TRP 470.A NE1 GLU 237.A OE2 no hydrogen 3.004 N/A TRP 470.A NE1 TYR 466.A OH no hydrogen 3.187 N/A ILE 471.A N PHE 467.A O no hydrogen 2.886 N/A ASN 472.A N GLN 468.A O no hydrogen 2.816 N/A LEU 473.A N HIS 469.A O no hydrogen 3.129 N/A GLY 474.A N TRP 470.A O no hydrogen 3.470 N/A LYS 475.A N ILE 471.A O no hydrogen 2.966 N/A LYS 475.A NZ ASN 472.A OD1 no hydrogen 3.476 N/A HIS 476.A N ASN 472.A O no hydrogen 3.040 N/A ALA 477.A N GLY 474.A O no hydrogen 3.060 N/A SER 480.A N ASP 478.A OD1 no hydrogen 3.094 N/A SER 480.A OG ASP 478.A OD1 no hydrogen 2.576 N/A LYS 481.A N ASP 478.A O no hydrogen 2.845 N/A LYS 484.A N SER 402.A O no hydrogen 3.080 N/A PHE 486.A N ILE 404.A O no hydrogen 2.792 N/A PHE 487.A N THR 418.A O no hydrogen 2.763 N/A VAL 488.A N PHE 406.A O no hydrogen 2.837 N/A ASN 489.A N LEU 416.A O no hydrogen 2.888 N/A ASN 489.A ND2 ARG 410.A O no hydrogen 2.950 N/A ASN 489.A ND2 VAL 414.A O no hydrogen 2.770 N/A PHE 491.A N ASN 489.A OD1 no hydrogen 3.151 N/A ARG 492.A NH1 ALA 553.A O no hydrogen 2.982 N/A ARG 492.A NH1 ALA 555.A O no hydrogen 2.803 N/A ARG 492.A NH2 ALA 555.A O no hydrogen 3.270 N/A ARG 493.A N LYS 411.A O no hydrogen 2.972 N/A ARG 493.A NH1 GLY 497.A O no hydrogen 3.328 N/A GLY 494.A N ARG 498.A O no hydrogen 2.868 N/A GLY 497.A N GLY 494.A O no hydrogen 2.971 N/A ARG 498.A N ASP 496.A OD1 no hydrogen 2.770 N/A LEU 500.A N ARG 492.A O no hydrogen 2.964 N/A TRP 501.A NE1 ASN 507.A OD1 no hydrogen 2.861 N/A GLU 506.A N GLY 503.A O no hydrogen 2.979 N/A ASN 507.A N PHE 504.A O no hydrogen 2.920 N/A SER 508.A N GLY 505.A O no hydrogen 3.008 N/A SER 508.A OG GLY 505.A O no hydrogen 2.709 N/A ARG 509.A N GLU 506.A O no hydrogen 2.957 N/A ARG 509.A NE GLU 506.A OE2 no hydrogen 2.595 N/A ARG 509.A NH1 ASP 539.A O no hydrogen 2.778 N/A ARG 509.A NH1 ASP 541.A O no hydrogen 2.809 N/A ARG 509.A NH2 GLU 506.A OE2 no hydrogen 3.418 N/A ARG 509.A NH2 ASP 541.A O no hydrogen 3.170 N/A LEU 511.A N ASN 507.A O no hydrogen 3.008 N/A LYS 512.A N SER 508.A O no hydrogen 2.918 N/A LYS 512.A NZ ASP 516.A OD1 no hydrogen 3.418 N/A LYS 512.A NZ ASP 516.A OD2 no hydrogen 2.747 N/A TRP 513.A N ARG 509.A O no hydrogen 3.252 N/A TRP 513.A NE1 GLY 523.A O no hydrogen 2.956 N/A ILE 514.A N VAL 510.A O no hydrogen 3.039 N/A VAL 515.A N LEU 511.A O no hydrogen 2.791 N/A ASP 516.A N LYS 512.A O no hydrogen 2.743 N/A ARG 517.A N TRP 513.A O no hydrogen 2.846 N/A ARG 517.A NE GLU 419.A OE2 no hydrogen 2.853 N/A ARG 517.A NH1 ALA 522.A O no hydrogen 2.947 N/A ARG 517.A NH2 GLU 419.A OE2 no hydrogen 3.261 N/A ILE 518.A N ILE 514.A O no hydrogen 2.956 N/A GLU 519.A N VAL 515.A O no hydrogen 2.867 N/A HIS 520.A N ARG 517.A O no hydrogen 3.042 N/A LYS 521.A N ASP 516.A O no hydrogen 2.711 N/A ALA 525.A N VAL 532.A O no hydrogen 2.806 N/A THR 527.A N GLY 530.A O no hydrogen 2.817 N/A THR 527.A OG1 GLY 530.A O no hydrogen 2.802 N/A ILE 529.A N THR 527.A OG1 no hydrogen 3.257 N/A GLY 530.A N THR 527.A O no hydrogen 3.293 N/A THR 531.A N GLU 419.A O no hydrogen 3.000 N/A VAL 532.A N ALA 525.A O no hydrogen 2.872 N/A ALA 534.A N ASP 537.A OD2 no hydrogen 2.830 N/A ASP 537.A N ALA 534.A O no hydrogen 2.928 N/A LEU 538.A N VAL 535.A O no hydrogen 3.211 N/A ASP 541.A N ASP 539.A OD2 no hydrogen 3.126 N/A LEU 543.A N LEU 540.A O no hydrogen 2.927 N/A VAL 545.A N LEU 543.A O no hydrogen 3.039 N/A ALA 548.A N ASP 546.A OD1 no hydrogen 3.346 N/A ASP 549.A N ASP 546.A O no hydrogen 2.924 N/A VAL 550.A N ASP 546.A O no hydrogen 3.221 N/A ALA 551.A N ALA 547.A O no hydrogen 2.941 N/A ALA 552.A N ALA 548.A O no hydrogen 2.972 N/A ALA 553.A N ASP 549.A O no hydrogen 2.873 N/A LEU 554.A N VAL 550.A O no hydrogen 3.037 N/A ALA 555.A N ALA 552.A O no hydrogen 3.143 N/A GLU 560.A N ASP 557.A OD2 no hydrogen 3.029 N/A TRP 561.A N ASP 557.A O no hydrogen 3.105 N/A TRP 561.A NE1 THR 413.A O no hydrogen 2.974 N/A ARG 562.A N ALA 558.A O no hydrogen 2.982 N/A ARG 562.A NE LEU 594.A O no hydrogen 3.191 N/A ARG 562.A NH2 LEU 594.A O no hydrogen 3.058 N/A GLN 563.A N ASP 559.A O no hydrogen 3.055 N/A GLU 564.A N TRP 561.A O no hydrogen 3.064 N/A LEU 565.A N TRP 561.A O no hydrogen 3.210 N/A LEU 565.A N ARG 562.A O no hydrogen 3.361 N/A LEU 567.A N GLU 564.A O no hydrogen 3.008 N/A ILE 568.A N GLU 564.A O no hydrogen 3.118 N/A GLU 569.A N LEU 565.A O no hydrogen 2.959 N/A GLU 570.A N PRO 566.A O no hydrogen 3.194 N/A TRP 571.A N LEU 567.A O no hydrogen 3.145 N/A TRP 571.A NE1 ALA 431.A O no hydrogen 2.933 N/A LEU 572.A N ILE 568.A O no hydrogen 2.794 N/A GLN 573.A N GLU 569.A O no hydrogen 2.886 N/A GLN 573.A NE2 GLU 569.A OE2 no hydrogen 2.278 N/A PHE 574.A N GLU 570.A O no hydrogen 3.083 N/A VAL 575.A N TRP 571.A O no hydrogen 3.041 N/A GLY 576.A N GLN 573.A O no hydrogen 2.991 N/A LEU 579.A N GLY 576.A O no hydrogen 3.058 N/A VAL 583.A N PRO 580.A O no hydrogen 3.212 N/A LYS 584.A N PRO 580.A O no hydrogen 3.145 N/A LYS 584.A NZ LEU 579.A O no hydrogen 3.259 N/A ASP 585.A N THR 581.A O no hydrogen 2.623 N/A GLU 586.A N GLY 582.A O no hydrogen 3.200 N/A PHE 587.A N VAL 583.A O no hydrogen 3.065 N/A ASP 588.A N LYS 584.A O no hydrogen 3.023 N/A ALA 589.A N ASP 585.A O no hydrogen 2.963 N/A LEU 590.A N GLU 586.A O no hydrogen 2.975 N/A LYS 591.A N PHE 587.A O no hydrogen 2.918 N/A GLU 592.A N ASP 588.A O no hydrogen 2.898 N/A ARG 593.A N ALA 589.A O no hydrogen 3.050 N/A ARG 593.A NE PRO 528.A O no hydrogen 2.756 N/A ARG 593.A NH2 PRO 528.A O no hydrogen 2.830 N/A LEU 594.A N LEU 590.A O no hydrogen 3.085 N/A GLY 595.A N LYS 591.A O no hydrogen 2.947 N/A