Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b7u_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 7.A N ASP 5.A OD1 no hydrogen 2.870 N/A CYS 7.A SG LEU 369.A O no hydrogen 4.049 N/A SER 8.A N ASP 5.A O no hydrogen 3.121 N/A SER 8.A OG ASP 55.A OD2 no hydrogen 2.643 N/A LEU 9.A N ASP 55.A OD1 no hydrogen 2.730 N/A ALA 10.A N SER 8.A OG no hydrogen 3.129 N/A SER 11.A N VAL 53.A O no hydrogen 2.793 N/A SER 11.A OG VAL 53.A O no hydrogen 3.503 N/A VAL 15.A N PRO 12.A O no hydrogen 2.867 N/A CYS 16.A N PRO 12.A O no hydrogen 3.190 N/A ARG 17.A N GLN 43.A O no hydrogen 2.890 N/A THR 18.A N GLN 147.A OE1 no hydrogen 2.770 N/A THR 18.A OG1 GLN 147.A OE1 no hydrogen 2.832 N/A LYS 19.A N THR 41.A O no hydrogen 2.731 N/A HIS 20.A N THR 41.A O no hydrogen 3.410 N/A HIS 20.A ND1 THR 155.A OG1 no hydrogen 2.745 N/A HIS 20.A NE2 THR 157.A OG1 no hydrogen 3.126 N/A LEU 21.A N THR 155.A O no hydrogen 2.982 N/A HIS 22.A N ALA 39.A O no hydrogen 2.856 N/A LEU 23.A N THR 157.A O no hydrogen 2.851 N/A ARG 24.A N THR 37.A O no hydrogen 2.993 N/A CYS 25.A N GLU 159.A O no hydrogen 3.049 N/A SER 26.A N THR 35.A O no hydrogen 2.799 N/A VAL 27.A N SER 161.A O no hydrogen 2.778 N/A ASP 28.A N THR 33.A O no hydrogen 2.799 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.114 N/A ARG 31.A N ASP 28.A O no hydrogen 3.275 N/A ARG 31.A N ASP 28.A OD1 no hydrogen 3.153 N/A ARG 31.A NH1 GLU 107.A OE2 no hydrogen 3.344 N/A ARG 31.A NH2 GLU 107.A OE1 no hydrogen 2.966 N/A ARG 31.A NH2 GLU 107.A OE2 no hydrogen 3.071 N/A THR 33.A N ASP 28.A O no hydrogen 3.126 N/A LEU 34.A N THR 108.A OG1 no hydrogen 2.874 N/A THR 35.A N SER 26.A O no hydrogen 2.946 N/A GLY 36.A N PHE 106.A O no hydrogen 3.040 N/A THR 37.A N ARG 24.A O no hydrogen 2.823 N/A ALA 38.A N ILE 104.A O no hydrogen 2.894 N/A ALA 39.A N HIS 22.A O no hydrogen 2.969 N/A LEU 40.A N ILE 102.A O no hydrogen 2.774 N/A THR 41.A N HIS 20.A O no hydrogen 2.824 N/A VAL 42.A N ILE 100.A O no hydrogen 2.834 N/A GLN 43.A N ARG 17.A O no hydrogen 2.734 N/A GLN 43.A NE2 GLN 45.A OE1 no hydrogen 2.800 N/A SER 44.A N GLN 98.A O no hydrogen 2.946 N/A SER 44.A OG GLU 46.A O no hydrogen 2.684 N/A GLN 45.A N VAL 15.A O no hydrogen 2.731 N/A GLU 46.A N SER 44.A OG no hydrogen 3.044 N/A LEU 49.A N LEU 94.A O no hydrogen 2.951 N/A ARG 50.A NE ASN 48.A OD1 no hydrogen 2.877 N/A ARG 50.A NH2 ASN 48.A OD1 no hydrogen 3.391 N/A LEU 52.A N ILE 88.A O no hydrogen 3.049 N/A VAL 53.A N SER 11.A OG no hydrogen 2.786 N/A LEU 54.A N MET 86.A O no hydrogen 2.843 N/A ASP 55.A N CYS 146.A O no hydrogen 2.746 N/A THR 56.A N SER 84.A O no hydrogen 3.216 N/A THR 56.A OG1 SER 84.A O no hydrogen 2.644 N/A LYS 57.A N ARG 141.A O no hydrogen 2.742 N/A LYS 57.A NZ SER 113.A OG no hydrogen 2.850 N/A THR 60.A N GLU 107.A O no hydrogen 2.896 N/A GLU 62.A N SER 105.A O no hydrogen 2.882 N/A VAL 65.A N GLU 103.A O no hydrogen 2.808 N/A ILE 66.A N GLN 69.A O no hydrogen 3.072 N/A GLN 69.A N ILE 66.A O no hydrogen 3.168 N/A VAL 71.A N VAL 64.A O no hydrogen 2.920 N/A ALA 74.A N GLU 87.A O no hydrogen 2.890 N/A GLY 76.A N PRO 85.A O no hydrogen 2.744 N/A ARG 78.A NH1 ASP 58.A OD2 no hydrogen 3.045 N/A ARG 78.A NH2 ASP 58.A OD2 no hydrogen 3.439 N/A GLN 79.A N GLY 83.A O no hydrogen 2.676 N/A LYS 82.A N GLN 79.A O no hydrogen 3.027 N/A LYS 82.A NZ THR 6.A O no hydrogen 3.372 N/A LYS 82.A NZ ASP 371.A OD2 no hydrogen 3.482 N/A GLY 83.A N SER 80.A O no hydrogen 2.995 N/A SER 84.A N THR 56.A O no hydrogen 2.859 N/A MET 86.A N LEU 54.A O no hydrogen 2.828 N/A GLU 87.A N ALA 74.A O no hydrogen 2.878 N/A ILE 88.A N LEU 52.A O no hydrogen 2.768 N/A SER 89.A N LYS 72.A O no hydrogen 2.925 N/A LEU 90.A N ARG 50.A O no hydrogen 2.804 N/A LEU 94.A N LEU 49.A O no hydrogen 2.976 N/A SER 95.A N GLN 98.A OE1 no hydrogen 3.264 N/A SER 95.A OG GLN 98.A OE1 no hydrogen 3.547 N/A ASN 97.A N SER 44.A O no hydrogen 2.868 N/A GLN 98.A N SER 95.A O no hydrogen 3.119 N/A ILE 100.A N VAL 42.A O no hydrogen 3.037 N/A ILE 102.A N LEU 40.A O no hydrogen 2.883 N/A GLU 103.A N VAL 65.A O no hydrogen 2.844 N/A ILE 104.A N ALA 38.A O no hydrogen 2.754 N/A SER 105.A N LYS 63.A O no hydrogen 2.841 N/A PHE 106.A N GLY 36.A O no hydrogen 2.895 N/A GLU 107.A N THR 60.A O no hydrogen 2.961 N/A THR 108.A N LEU 34.A O no hydrogen 2.924 N/A THR 108.A OG1 LEU 34.A O no hydrogen 3.533 N/A LYS 111.A N SER 109.A OG no hydrogen 2.947 N/A LYS 111.A NZ SER 109.A OG no hydrogen 3.109 N/A SER 112.A N SER 109.A O no hydrogen 3.071 N/A SER 112.A OG ALA 142.A O no hydrogen 2.723 N/A SER 113.A OG HIS 139.A ND1 no hydrogen 2.870 N/A ALA 114.A N SER 112.A OG no hydrogen 3.341 N/A LEU 115.A N SER 112.A O no hydrogen 3.116 N/A GLN 116.A N PHE 132.A O no hydrogen 3.011 N/A LEU 118.A N TYR 130.A O no hydrogen 2.779 N/A THR 119.A N GLN 122.A OE1 no hydrogen 2.812 N/A THR 119.A OG1 GLN 122.A OE1 no hydrogen 3.021 N/A GLN 122.A N THR 119.A O no hydrogen 3.051 N/A GLN 122.A NE2 SER 594.A O no hydrogen 3.254 N/A THR 123.A N PRO 120.A O no hydrogen 3.116 N/A THR 123.A OG1 PRO 120.A O no hydrogen 2.711 N/A THR 123.A OG1 HIS 128.A O no hydrogen 3.401 N/A SER 124.A N GLU 223.A OE2 no hydrogen 2.839 N/A GLY 125.A N GLU 223.A OE1 no hydrogen 2.897 N/A LYS 126.A N THR 123.A OG1 no hydrogen 3.217 N/A LYS 126.A NZ GLU 121.A O no hydrogen 3.188 N/A LYS 126.A NZ THR 123.A O no hydrogen 2.969 N/A TYR 130.A N LEU 118.A O no hydrogen 3.108 N/A LEU 131.A N VAL 206.A O no hydrogen 2.757 N/A PHE 132.A N GLN 116.A O no hydrogen 3.236 N/A SER 133.A N LEU 204.A O no hydrogen 2.987 N/A SER 133.A OG LEU 204.A O no hydrogen 3.403 N/A GLN 134.A N ALA 114.A O no hydrogen 2.861 N/A CYS 135.A SG ILE 202.A O no hydrogen 3.377 N/A HIS 139.A N CYS 135.A O no hydrogen 2.809 N/A HIS 139.A ND1 SER 113.A OG no hydrogen 2.870 N/A HIS 139.A NE2 ASP 375.A OD2 no hydrogen 2.835 N/A CYS 140.A SG CYS 199.A O no hydrogen 3.602 N/A ARG 141.A N ASP 148.A OD2 no hydrogen 3.069 N/A ARG 141.A NE ASP 148.A OD2 no hydrogen 2.733 N/A ARG 141.A NH1 CYS 7.A O no hydrogen 2.894 N/A ARG 141.A NH1 LYS 82.A O no hydrogen 2.930 N/A ARG 141.A NH2 CYS 7.A O no hydrogen 2.821 N/A ARG 141.A NH2 ASP 148.A O no hydrogen 3.039 N/A ALA 142.A N HIS 139.A O no hydrogen 2.853 N/A ILE 143.A N CYS 140.A O no hydrogen 2.777 N/A LEU 144.A N CYS 140.A O no hydrogen 2.997 N/A CYS 146.A N ASP 55.A O no hydrogen 3.197 N/A CYS 146.A SG LEU 144.A O no hydrogen 3.444 N/A GLN 147.A NE2 SER 11.A O no hydrogen 2.861 N/A GLN 147.A NE2 CYS 16.A O no hydrogen 2.768 N/A ASP 148.A N ASP 55.A OD2 no hydrogen 2.964 N/A THR 149.A N GLN 147.A O no hydrogen 2.906 N/A THR 149.A OG1 ASP 5.A OD2 no hydrogen 2.769 N/A THR 149.A OG1 SER 151.A OG no hydrogen 2.771 N/A SER 151.A N THR 149.A OG1 no hydrogen 3.165 N/A SER 151.A OG THR 149.A OG1 no hydrogen 2.771 N/A VAL 152.A N THR 149.A O no hydrogen 3.409 N/A LYS 153.A NZ THR 307.A OG1 no hydrogen 2.677 N/A LYS 153.A NZ LYS 417.A O no hydrogen 3.074 N/A LEU 154.A N ILE 197.A O no hydrogen 2.914 N/A THR 155.A N LYS 19.A O no hydrogen 3.124 N/A THR 155.A OG1 LYS 19.A O no hydrogen 3.453 N/A THR 155.A OG1 HIS 20.A ND1 no hydrogen 2.745 N/A TYR 156.A N GLN 193.A O no hydrogen 3.076 N/A TYR 156.A OH SER 171.A OG no hydrogen 2.746 N/A THR 157.A N LEU 21.A O no hydrogen 2.928 N/A THR 157.A OG1 HIS 20.A NE2 no hydrogen 3.126 N/A ALA 158.A N PHE 191.A O no hydrogen 3.139 N/A GLU 159.A N LEU 23.A O no hydrogen 2.814 N/A VAL 160.A N TYR 189.A O no hydrogen 2.727 N/A SER 161.A N CYS 25.A O no hydrogen 2.733 N/A SER 161.A OG ASP 180.A OD2 no hydrogen 2.650 N/A VAL 162.A N LYS 187.A O no hydrogen 2.870 N/A LYS 164.A N SER 185.A O no hydrogen 2.817 N/A LEU 166.A N PRO 163.A O no hydrogen 2.971 N/A VAL 167.A N GLY 207.A O no hydrogen 2.904 N/A LEU 169.A N VAL 205.A O no hydrogen 2.895 N/A SER 171.A N ALA 203.A O no hydrogen 3.212 N/A SER 171.A OG TYR 156.A OH no hydrogen 2.746 N/A SER 171.A OG LEU 201.A O no hydrogen 2.577 N/A ALA 172.A N MET 170.A O no hydrogen 2.904 N/A ILE 173.A N ILE 192.A O no hydrogen 2.997 N/A ASP 175.A N LYS 190.A O no hydrogen 2.798 N/A THR 178.A N ILE 188.A O no hydrogen 2.891 N/A ASP 180.A N ARG 186.A O no hydrogen 3.015 N/A GLU 182.A N ASP 180.A OD1 no hydrogen 2.862 N/A ASP 183.A N ASP 180.A O no hydrogen 3.121 N/A SER 185.A N ASP 183.A OD2 no hydrogen 3.003 N/A SER 185.A OG ASP 183.A OD1 no hydrogen 3.467 N/A SER 185.A OG ASP 183.A OD2 no hydrogen 2.555 N/A ARG 186.A NE SER 161.A OG no hydrogen 2.844 N/A ARG 186.A NH2 VAL 27.A O no hydrogen 2.534 N/A ARG 186.A NH2 SER 161.A O no hydrogen 2.982 N/A LYS 187.A N VAL 162.A O no hydrogen 2.765 N/A LYS 187.A NZ GLU 177.A OE1 no hydrogen 2.690 N/A ILE 188.A N THR 178.A O no hydrogen 2.678 N/A TYR 189.A N VAL 160.A O no hydrogen 2.994 N/A TYR 189.A OH LEU 166.A O no hydrogen 3.113 N/A LYS 190.A N GLY 176.A O no hydrogen 3.012 N/A PHE 191.A N ALA 158.A O no hydrogen 2.990 N/A ILE 192.A N ILE 173.A O no hydrogen 3.016 N/A GLN 193.A N TYR 156.A O no hydrogen 2.742 N/A GLN 193.A NE2 SER 171.A O no hydrogen 2.918 N/A VAL 195.A N GLN 193.A OE1 no hydrogen 3.109 N/A ILE 197.A N LEU 154.A O no hydrogen 2.750 N/A CYS 199.A SG GLN 147.A O no hydrogen 3.752 N/A CYS 199.A SG ASP 148.A OD1 no hydrogen 3.254 N/A LEU 201.A N PRO 198.A O no hydrogen 3.109 N/A ILE 202.A N CYS 199.A O no hydrogen 3.098 N/A ALA 203.A N SER 171.A OG no hydrogen 2.929 N/A LEU 204.A N SER 133.A OG no hydrogen 2.836 N/A VAL 205.A N LEU 169.A O no hydrogen 2.942 N/A VAL 206.A N LEU 131.A O no hydrogen 2.941 N/A GLY 207.A N VAL 167.A O no hydrogen 3.084 N/A GLU 210.A N SER 222.A O no hydrogen 2.894 N/A ARG 212.A N VAL 220.A O no hydrogen 2.820 N/A ILE 214.A N THR 218.A O no hydrogen 2.959 N/A GLY 215.A N THR 218.A O no hydrogen 3.383 N/A ARG 217.A NE GLU 238.A OE1 no hydrogen 2.998 N/A ARG 217.A NH1 GLU 245.A OE2 no hydrogen 3.128 N/A ARG 217.A NH2 GLU 238.A OE2 no hydrogen 3.015 N/A ARG 217.A NH2 GLU 245.A OE1 no hydrogen 2.902 N/A THR 218.A N GLY 215.A O no hydrogen 3.371 N/A THR 218.A OG1 TYR 256.A O no hydrogen 2.790 N/A LEU 219.A N ASP 257.A OD2 no hydrogen 2.808 N/A VAL 220.A N ARG 212.A O no hydrogen 2.854 N/A TRP 221.A N LEU 258.A O no hydrogen 2.768 N/A TRP 221.A NE1 ASP 257.A OD1 no hydrogen 3.077 N/A SER 222.A N GLU 210.A O no hydrogen 3.195 N/A SER 222.A OG GLU 223.A O no hydrogen 2.756 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.905 N/A GLN 226.A N GLU 223.A O no hydrogen 3.023 N/A GLN 226.A NE2 SER 124.A OG no hydrogen 2.602 N/A VAL 227.A N LYS 224.A O no hydrogen 3.133 N/A LYS 229.A NZ LEU 283.A O no hydrogen 2.851 N/A SER 230.A N GLN 226.A O no hydrogen 3.033 N/A SER 230.A OG GLN 226.A O no hydrogen 2.732 N/A ALA 231.A N VAL 227.A O no hydrogen 3.039 N/A TYR 232.A N GLU 228.A O no hydrogen 3.356 N/A GLU 233.A N LYS 229.A O no hydrogen 2.953 N/A PHE 234.A N SER 230.A O no hydrogen 2.997 N/A SER 235.A N TYR 232.A O no hydrogen 3.238 N/A SER 235.A OG TYR 232.A O no hydrogen 3.142 N/A THR 237.A N PHE 234.A O no hydrogen 3.181 N/A THR 237.A OG1 PHE 234.A O no hydrogen 2.628 N/A SER 239.A OG GLU 236.A O no hydrogen 2.764 N/A MET 240.A N GLU 236.A O no hydrogen 2.879 N/A LEU 241.A N THR 237.A O no hydrogen 2.894 N/A LYS 242.A N GLU 238.A O no hydrogen 3.050 N/A LYS 242.A NZ GLU 238.A OE2 no hydrogen 2.555 N/A ILE 243.A N SER 239.A O no hydrogen 3.244 N/A ALA 244.A N MET 240.A O no hydrogen 2.854 N/A GLU 245.A N LEU 241.A O no hydrogen 2.797 N/A ASP 246.A N LYS 242.A O no hydrogen 3.047 N/A LEU 247.A N ILE 243.A O no hydrogen 3.002 N/A GLY 248.A N ALA 244.A O no hydrogen 2.736 N/A GLY 249.A N GLU 245.A O no hydrogen 2.879 N/A TYR 251.A N GLU 245.A OE2 no hydrogen 3.329 N/A TYR 251.A OH GLN 255.A O no hydrogen 2.679 N/A TRP 253.A NE1 SER 300.A O no hydrogen 2.973 N/A TYR 256.A N ARG 217.A O no hydrogen 2.776 N/A TYR 256.A OH THR 276.A OG1 no hydrogen 2.854 N/A ASP 257.A N CYS 274.A O no hydrogen 3.049 N/A LEU 258.A N LEU 219.A O no hydrogen 2.882 N/A LEU 259.A N THR 276.A O no hydrogen 2.802 N/A VAL 260.A N TRP 221.A O no hydrogen 2.798 N/A LEU 261.A N VAL 278.A O no hydrogen 2.938 N/A SER 264.A OG GLN 116.A OE1 no hydrogen 2.703 N/A PHE 265.A N PRO 262.A O no hydrogen 3.116 N/A MET 270.A N PHE 277.A O no hydrogen 2.838 N/A GLU 271.A N GLU 271.A OE2 no hydrogen 2.886 N/A ASN 272.A N MET 270.A O no hydrogen 2.907 N/A CYS 274.A SG TRP 253.A O no hydrogen 3.395 N/A LEU 275.A N ASN 272.A O no hydrogen 3.000 N/A THR 276.A N ASP 257.A O no hydrogen 2.898 N/A THR 276.A OG1 TYR 256.A OH no hydrogen 2.854 N/A PHE 277.A N MET 270.A O no hydrogen 2.964 N/A VAL 278.A N LEU 259.A O no hydrogen 2.760 N/A THR 279.A N GLY 268.A O no hydrogen 2.979 N/A THR 279.A OG1 THR 281.A OG1 no hydrogen 2.781 N/A THR 281.A N THR 279.A OG1 no hydrogen 3.040 N/A THR 281.A OG1 THR 279.A OG1 no hydrogen 2.781 N/A LEU 282.A N THR 279.A O no hydrogen 3.211 N/A LEU 283.A N PRO 280.A O no hydrogen 3.037 N/A ALA 284.A N LEU 282.A O no hydrogen 2.827 N/A GLY 285.A N GLU 233.A OE1 no hydrogen 2.774 N/A GLY 285.A N GLU 233.A OE2 no hydrogen 3.192 N/A LYS 287.A N GLU 233.A OE2 no hydrogen 2.717 N/A LYS 287.A NZ TYR 232.A O no hydrogen 3.372 N/A LYS 287.A NZ SER 235.A OG no hydrogen 2.588 N/A SER 288.A N ASP 286.A OD1 no hydrogen 3.007 N/A SER 288.A OG ASP 286.A OD1 no hydrogen 2.722 N/A SER 290.A N LYS 287.A O no hydrogen 3.265 N/A SER 290.A OG GLU 236.A OE1 no hydrogen 3.058 N/A SER 290.A OG LYS 287.A O no hydrogen 3.296 N/A ASN 291.A ND2 GLU 325.A OE2 no hydrogen 3.106 N/A VAL 292.A N LEU 289.A O no hydrogen 3.272 N/A ALA 294.A N SER 290.A O no hydrogen 3.069 N/A HIS 295.A N ASN 291.A O no hydrogen 2.793 N/A HIS 295.A ND1 GLU 325.A OE1 no hydrogen 2.822 N/A HIS 295.A NE2 GLU 318.A OE1 no hydrogen 3.153 N/A GLU 296.A N VAL 292.A O no hydrogen 2.913 N/A ILE 297.A N ILE 293.A O no hydrogen 2.811 N/A SER 298.A N ALA 294.A O no hydrogen 3.012 N/A SER 298.A OG ALA 294.A O no hydrogen 2.991 N/A HIS 299.A N HIS 295.A O no hydrogen 3.279 N/A HIS 299.A ND1 THR 302.A O no hydrogen 2.892 N/A SER 300.A N ILE 297.A O no hydrogen 2.809 N/A SER 300.A OG ILE 297.A O no hydrogen 2.728 N/A TRP 301.A N SER 298.A O no hydrogen 2.967 N/A TRP 301.A NE1 GLY 249.A O no hydrogen 2.820 N/A THR 302.A N SER 298.A O no hydrogen 3.156 N/A THR 302.A OG1 SER 298.A O no hydrogen 3.344 N/A THR 302.A OG1 THR 321.A OG1 no hydrogen 2.688 N/A GLY 303.A N VAL 306.A O no hydrogen 2.684 N/A ASN 304.A N HIS 299.A O no hydrogen 2.895 N/A ASN 304.A ND2 GLU 271.A O no hydrogen 2.907 N/A LEU 305.A N TRP 301.A O no hydrogen 3.307 N/A VAL 306.A N TRP 301.A O no hydrogen 3.134 N/A THR 307.A N LYS 417.A O no hydrogen 3.056 N/A THR 307.A OG1 GLY 303.A O no hydrogen 2.678 N/A ASN 308.A N ASN 317.A OD1 no hydrogen 2.988 N/A ASN 308.A ND2 ASN 308.A O no hydrogen 2.850 N/A LYS 309.A N ILE 419.A O no hydrogen 2.848 N/A ASP 312.A N THR 310.A OG1 no hydrogen 3.240 N/A HIS 313.A N THR 310.A O no hydrogen 3.003 N/A HIS 313.A ND1 THR 421.A OG1 no hydrogen 2.892 N/A PHE 314.A N TRP 311.A O no hydrogen 3.245 N/A TRP 315.A NE1 THR 421.A OG1 no hydrogen 2.930 N/A LEU 316.A N HIS 313.A O no hydrogen 2.949 N/A ASN 317.A ND2 TYR 200.A OH no hydrogen 2.951 N/A GLU 318.A N PHE 314.A O no hydrogen 3.067 N/A GLY 319.A N TRP 315.A O no hydrogen 2.706 N/A HIS 320.A ND1 LEU 316.A O no hydrogen 2.785 N/A THR 321.A OG1 THR 302.A OG1 no hydrogen 2.688 N/A THR 321.A OG1 ASN 317.A O no hydrogen 2.631 N/A VAL 322.A N GLU 318.A O no hydrogen 2.914 N/A TYR 323.A N GLY 319.A O no hydrogen 3.018 N/A TYR 323.A OH GLU 394.A OE1 no hydrogen 2.489 N/A LEU 324.A N HIS 320.A O no hydrogen 2.882 N/A GLU 325.A N THR 321.A O no hydrogen 2.770 N/A ARG 326.A N VAL 322.A O no hydrogen 2.893 N/A ARG 326.A NH1 GLU 384.A OE1 no hydrogen 2.968 N/A ARG 326.A NH2 GLU 384.A OE1 no hydrogen 3.457 N/A ARG 326.A NH2 GLU 384.A OE2 no hydrogen 2.683 N/A HIS 327.A N TYR 323.A O no hydrogen 3.178 N/A HIS 327.A NE2 TYR 323.A OH no hydrogen 3.047 N/A ILE 328.A N LEU 324.A O no hydrogen 2.904 N/A CYS 329.A N GLU 325.A O no hydrogen 3.033 N/A CYS 329.A SG GLU 325.A O no hydrogen 3.664 N/A GLY 330.A N ARG 326.A O no hydrogen 2.837 N/A ARG 331.A N HIS 327.A O no hydrogen 2.850 N/A LEU 332.A N ILE 328.A O no hydrogen 2.951 N/A PHE 333.A N CYS 329.A O no hydrogen 2.855 N/A GLY 334.A N GLY 330.A O no hydrogen 2.750 N/A ARG 338.A N GLY 334.A O no hydrogen 3.142 N/A ARG 338.A NE GLU 335.A OE1 no hydrogen 2.911 N/A ARG 338.A NH1 GLU 394.A OE1 no hydrogen 3.047 N/A ARG 338.A NH2 GLU 335.A OE2 no hydrogen 2.853 N/A ARG 338.A NH2 GLU 394.A OE1 no hydrogen 3.556 N/A ARG 338.A NH2 GLU 394.A OE2 no hydrogen 2.822 N/A HIS 339.A N GLU 335.A O no hydrogen 3.044 N/A HIS 339.A NE2 GLU 335.A OE2 no hydrogen 3.173 N/A PHE 340.A N LYS 336.A O no hydrogen 2.944 N/A ASN 341.A N PHE 337.A O no hydrogen 2.933 N/A ALA 342.A N ARG 338.A O no hydrogen 2.852 N/A LEU 343.A N HIS 339.A O no hydrogen 2.724 N/A GLY 344.A N PHE 340.A O no hydrogen 2.932 N/A GLY 345.A N ASN 341.A O no hydrogen 2.990 N/A TRP 346.A N ALA 342.A O no hydrogen 3.198 N/A GLY 347.A N LEU 343.A O no hydrogen 3.354 N/A GLU 348.A N GLY 344.A O no hydrogen 3.004 N/A LEU 349.A N GLY 345.A O no hydrogen 2.917 N/A GLN 350.A N TRP 346.A O no hydrogen 2.832 N/A ASN 351.A N GLY 347.A O no hydrogen 2.958 N/A SER 352.A N GLU 348.A O no hydrogen 2.974 N/A SER 352.A OG GLU 348.A O no hydrogen 3.523 N/A VAL 353.A N LEU 349.A O no hydrogen 2.945 N/A LYS 354.A N GLN 350.A O no hydrogen 2.857 N/A THR 355.A N ASN 351.A O no hydrogen 2.851 N/A THR 355.A OG1 ASN 351.A O no hydrogen 3.084 N/A PHE 356.A N SER 352.A O no hydrogen 2.964 N/A GLY 357.A N VAL 353.A O no hydrogen 2.739 N/A HIS 360.A N GLY 357.A O no hydrogen 3.083 N/A THR 363.A N HIS 360.A O no hydrogen 2.979 N/A THR 363.A OG1 HIS 360.A O no hydrogen 2.717 N/A LYS 364.A N PRO 361.A O no hydrogen 3.229 N/A VAL 366.A N LEU 448.A O no hydrogen 2.963 N/A VAL 367.A N ASP 312.A O no hydrogen 3.405 N/A LEU 369.A N ASP 312.A OD1 no hydrogen 2.915 N/A THR 370.A N ASP 368.A OD1 no hydrogen 3.134 N/A THR 370.A OG1 ASP 368.A OD1 no hydrogen 2.846 N/A ILE 372.A N LEU 369.A O no hydrogen 2.999 N/A ASP 375.A N ASP 373.A OD1 no hydrogen 3.008 N/A VAL 376.A N ASP 373.A O no hydrogen 2.909 N/A ALA 377.A N ASP 373.A O no hydrogen 3.347 N/A TYR 378.A N PRO 374.A O no hydrogen 2.917 N/A TYR 378.A OH TYR 383.A OH no hydrogen 2.672 N/A VAL 381.A N SER 379.A OG no hydrogen 3.035 N/A TYR 383.A OH TYR 378.A OH no hydrogen 2.672 N/A GLU 384.A N SER 380.A O no hydrogen 2.909 N/A LYS 385.A N VAL 381.A O no hydrogen 2.823 N/A LYS 385.A NZ THR 363.A O no hydrogen 2.541 N/A LYS 385.A NZ SER 450.A O no hydrogen 3.227 N/A LYS 385.A NZ GLY 452.A O no hydrogen 2.556 N/A PHE 387.A N TYR 383.A O no hydrogen 2.849 N/A ALA 388.A N GLU 384.A O no hydrogen 2.754 N/A LEU 389.A N LYS 385.A O no hydrogen 3.070 N/A LEU 390.A N GLY 386.A O no hydrogen 3.106 N/A PHE 391.A N PHE 387.A O no hydrogen 2.882 N/A TYR 392.A N ALA 388.A O no hydrogen 2.913 N/A LEU 393.A N LEU 389.A O no hydrogen 2.972 N/A GLU 394.A N LEU 390.A O no hydrogen 2.682 N/A GLN 395.A N PHE 391.A O no hydrogen 3.026 N/A GLN 395.A NE2 ASN 459.A O no hydrogen 2.752 N/A LEU 396.A N TYR 392.A O no hydrogen 2.896 N/A LEU 397.A N LEU 393.A O no hydrogen 2.966 N/A GLY 399.A N GLU 394.A O no hydrogen 2.774 N/A PHE 403.A N GLY 399.A O no hydrogen 3.031 N/A LEU 404.A N PRO 400.A O no hydrogen 2.853 N/A GLY 405.A N GLU 401.A O no hydrogen 3.316 N/A PHE 406.A N ILE 402.A O no hydrogen 3.331 N/A LEU 407.A N PHE 403.A O no hydrogen 2.898 N/A LYS 408.A N LEU 404.A O no hydrogen 3.077 N/A LYS 408.A NZ ASP 246.A O no hydrogen 2.671 N/A ALA 409.A N GLY 405.A O no hydrogen 3.129 N/A TYR 410.A N PHE 406.A O no hydrogen 2.851 N/A VAL 411.A N LEU 407.A O no hydrogen 2.976 N/A GLU 412.A N LYS 408.A O no hydrogen 2.958 N/A LYS 413.A N ALA 409.A O no hydrogen 2.731 N/A PHE 414.A N TYR 410.A O no hydrogen 2.939 N/A SER 415.A OG VAL 411.A O no hydrogen 2.700 N/A TYR 416.A N LEU 305.A O no hydrogen 2.794 N/A LYS 417.A N PHE 414.A O no hydrogen 3.031 N/A SER 418.A OG PRO 150.A O no hydrogen 2.697 N/A ILE 419.A N THR 307.A O no hydrogen 2.791 N/A THR 420.A N ASP 423.A OD2 no hydrogen 2.822 N/A THR 420.A OG1 ASP 423.A OD2 no hydrogen 3.258 N/A THR 421.A N HIS 313.A ND1 no hydrogen 3.336 N/A THR 421.A OG1 HIS 313.A ND1 no hydrogen 2.892 N/A ASP 423.A N THR 420.A OG1 no hydrogen 3.229 N/A TRP 424.A N THR 420.A O no hydrogen 3.086 N/A LYS 425.A N THR 421.A O no hydrogen 2.832 N/A ASP 426.A N ASP 422.A O no hydrogen 2.995 N/A PHE 427.A N ASP 423.A O no hydrogen 3.069 N/A LEU 428.A N TRP 424.A O no hydrogen 2.832 N/A TYR 429.A N LYS 425.A O no hydrogen 2.904 N/A TYR 429.A OH ASN 440.A OD1 no hydrogen 2.700 N/A SER 430.A N ASP 426.A O no hydrogen 2.894 N/A TYR 431.A N PHE 427.A O no hydrogen 2.740 N/A PHE 432.A N LEU 428.A O no hydrogen 2.951 N/A LYS 433.A N SER 430.A O no hydrogen 3.287 N/A LYS 435.A N PHE 432.A O no hydrogen 2.925 N/A LYS 435.A NZ LEU 397.A O no hydrogen 2.832 N/A LEU 439.A N LYS 435.A O no hydrogen 3.035 N/A ASN 440.A N VAL 436.A O no hydrogen 2.707 N/A GLN 441.A N VAL 438.A O no hydrogen 2.845 N/A VAL 442.A N LEU 439.A O no hydrogen 3.040 N/A TRP 444.A NE1 TYR 429.A OH no hydrogen 3.083 N/A TRP 444.A NE1 LEU 439.A O no hydrogen 3.177 N/A ALA 446.A N ASP 443.A OD1 no hydrogen 3.329 N/A TRP 447.A N ASP 443.A O no hydrogen 2.922 N/A LEU 448.A N TRP 444.A O no hydrogen 2.787 N/A TYR 449.A N ASN 445.A O no hydrogen 3.084 N/A SER 450.A N ALA 446.A O no hydrogen 3.249 N/A SER 450.A OG ASN 445.A O no hydrogen 3.520 N/A GLY 452.A N THR 363.A OG1 no hydrogen 2.788 N/A ASN 459.A N GLN 395.A OE1 no hydrogen 2.835 N/A ASP 461.A N HIS 339.A ND1 no hydrogen 2.963 N/A THR 463.A N ASP 461.A OD2 no hydrogen 2.933 N/A THR 463.A OG1 ASP 461.A OD1 no hydrogen 3.362 N/A THR 463.A OG1 ASP 461.A OD2 no hydrogen 2.742 N/A ASN 466.A N MET 462.A O no hydrogen 2.978 N/A CYS 468.A SG LEU 464.A O no hydrogen 3.675 N/A CYS 468.A SG GLN 498.A O no hydrogen 3.371 N/A ILE 469.A N THR 465.A O no hydrogen 2.936 N/A ALA 470.A N ASN 466.A O no hydrogen 2.896 N/A LEU 471.A N ALA 467.A O no hydrogen 3.138 N/A SER 472.A N CYS 468.A O no hydrogen 3.089 N/A SER 472.A OG THR 506.A OG1 no hydrogen 2.921 N/A GLN 473.A N ILE 469.A O no hydrogen 2.922 N/A ARG 474.A N ALA 470.A O no hydrogen 2.843 N/A TRP 475.A N LEU 471.A O no hydrogen 3.066 N/A TRP 475.A NE1 TYR 524.A OH no hydrogen 2.953 N/A ILE 476.A N SER 472.A O no hydrogen 2.984 N/A THR 477.A N GLN 473.A O no hydrogen 2.950 N/A THR 477.A OG1 GLN 473.A O no hydrogen 3.021 N/A ALA 478.A N TRP 475.A O no hydrogen 3.265 N/A LYS 479.A N ASP 482.A OD2 no hydrogen 2.885 N/A LYS 479.A NZ THR 477.A O no hydrogen 3.053 N/A ASP 482.A N LYS 479.A O no hydrogen 2.828 N/A LEU 483.A N GLU 480.A O no hydrogen 3.126 N/A SER 485.A N ASP 482.A O no hydrogen 3.053 N/A SER 485.A OG ASP 482.A O no hydrogen 2.681 N/A PHE 486.A N LEU 483.A O no hydrogen 3.289 N/A ASN 487.A N ASP 490.A OD2 no hydrogen 3.041 N/A ASP 490.A N ASN 487.A O no hydrogen 2.824 N/A LEU 491.A N ALA 488.A O no hydrogen 3.204 N/A LYS 492.A N THR 489.A O no hydrogen 3.390 N/A LEU 494.A N LEU 491.A O no hydrogen 3.009 N/A SER 495.A N GLN 498.A OE1 no hydrogen 2.873 N/A SER 495.A OG GLN 498.A OE1 no hydrogen 3.466 N/A HIS 497.A NE2 SER 288.A O no hydrogen 3.080 N/A GLN 498.A N SER 495.A OG no hydrogen 3.074 N/A GLN 498.A NE2 LEU 464.A O no hydrogen 2.974 N/A LEU 499.A N SER 495.A O no hydrogen 2.893 N/A ASN 500.A N SER 496.A O no hydrogen 2.887 N/A GLU 501.A N HIS 497.A O no hydrogen 2.972 N/A PHE 502.A N GLN 498.A O no hydrogen 2.838 N/A LEU 503.A N LEU 499.A O no hydrogen 3.076 N/A ALA 504.A N ASN 500.A O no hydrogen 2.850 N/A GLN 505.A N GLU 501.A O no hydrogen 2.909 N/A GLN 505.A NE2 GLU 501.A OE2 no hydrogen 2.819 N/A THR 506.A N PHE 502.A O no hydrogen 2.963 N/A THR 506.A OG1 SER 472.A OG no hydrogen 2.921 N/A THR 506.A OG1 PHE 502.A O no hydrogen 2.765 N/A LEU 507.A N LEU 503.A O no hydrogen 2.731 N/A GLN 508.A N ALA 504.A O no hydrogen 3.041 N/A ARG 509.A N THR 506.A O no hydrogen 2.955 N/A ARG 509.A NH2 GLN 505.A O no hydrogen 2.998 N/A ARG 509.A NH2 GLN 505.A OE1 no hydrogen 2.957 N/A ALA 510.A N LEU 507.A O no hydrogen 3.170 N/A LEU 512.A N SER 545.A OG no hydrogen 3.232 N/A HIS 516.A NE2 ALA 478.A O no hydrogen 2.746 N/A ILE 517.A N PRO 513.A O no hydrogen 3.227 N/A LYS 518.A N LEU 514.A O no hydrogen 2.921 N/A ARG 519.A N GLY 515.A O no hydrogen 3.032 N/A ARG 519.A NE LEU 483.A O no hydrogen 2.852 N/A ARG 519.A NH1 GLU 522.A OE1 no hydrogen 2.777 N/A ARG 519.A NH2 ASN 484.A O no hydrogen 3.430 N/A MET 520.A N HIS 516.A O no hydrogen 2.886 N/A GLN 521.A N ILE 517.A O no hydrogen 3.031 N/A GLU 522.A N LYS 518.A O no hydrogen 2.957 N/A VAL 523.A N ARG 519.A O no hydrogen 2.903 N/A TYR 524.A N MET 520.A O no hydrogen 2.900 N/A TYR 524.A OH ASP 490.A OD2 no hydrogen 2.671 N/A ASN 525.A N GLN 521.A O no hydrogen 2.987 N/A ASN 525.A ND2 GLN 521.A OE1 no hydrogen 3.028 N/A ALA 528.A N ASN 525.A O no hydrogen 3.128 N/A ILE 529.A N PHE 526.A O no hydrogen 3.098 N/A SER 532.A OG THR 281.A O no hydrogen 2.820 N/A ILE 534.A N ASN 531.A OD1 no hydrogen 3.062 N/A ARG 535.A N ASN 531.A O no hydrogen 2.792 N/A ARG 535.A NH1 ASN 527.A O no hydrogen 2.792 N/A ARG 535.A NH1 ILE 529.A O no hydrogen 3.465 N/A PHE 536.A N SER 532.A O no hydrogen 2.813 N/A ARG 537.A N GLU 533.A O no hydrogen 3.304 N/A ARG 537.A NH1 ASN 500.A OD1 no hydrogen 3.026 N/A ARG 537.A NH1 GLU 533.A O no hydrogen 3.404 N/A ARG 537.A NH1 GLU 533.A OE1 no hydrogen 2.671 N/A ARG 537.A NH2 GLU 348.A OE2 no hydrogen 3.447 N/A ARG 537.A NH2 GLU 533.A OE1 no hydrogen 3.509 N/A TRP 538.A N ILE 534.A O no hydrogen 3.019 N/A LEU 539.A N ARG 535.A O no hydrogen 2.886 N/A ARG 540.A N PHE 536.A O no hydrogen 2.923 N/A ARG 540.A NE ASP 573.A OD2 no hydrogen 2.885 N/A ARG 540.A NH2 ASP 573.A OD1 no hydrogen 3.034 N/A LEU 541.A N ARG 537.A O no hydrogen 2.849 N/A CYS 542.A N TRP 538.A O no hydrogen 2.920 N/A CYS 542.A SG TRP 538.A O no hydrogen 3.299 N/A ILE 543.A N LEU 539.A O no hydrogen 2.914 N/A GLN 544.A N ARG 540.A O no hydrogen 2.957 N/A GLN 544.A NE2 ASP 573.A OD1 no hydrogen 3.330 N/A GLN 544.A NE2 ASP 573.A OD2 no hydrogen 2.778 N/A SER 545.A N LEU 541.A O no hydrogen 3.009 N/A SER 545.A OG LEU 512.A O no hydrogen 3.440 N/A SER 545.A OG LEU 541.A O no hydrogen 2.760 N/A LYS 546.A N ILE 543.A O no hydrogen 2.902 N/A TRP 547.A N CYS 542.A O no hydrogen 2.876 N/A ALA 550.A N TRP 547.A O no hydrogen 3.062 N/A ILE 551.A N GLU 548.A O no hydrogen 2.917 N/A ALA 554.A N ALA 550.A O no hydrogen 2.886 N/A LEU 555.A N ILE 551.A O no hydrogen 2.976 N/A LYS 556.A N PRO 552.A O no hydrogen 3.006 N/A MET 557.A N LEU 553.A O no hydrogen 3.013 N/A ALA 558.A N ALA 554.A O no hydrogen 2.837 N/A THR 559.A N LEU 555.A O no hydrogen 3.184 N/A THR 559.A N LYS 556.A O no hydrogen 3.357 N/A THR 559.A OG1 LEU 555.A O no hydrogen 2.809 N/A THR 559.A OG1 LYS 556.A O no hydrogen 3.475 N/A GLU 560.A N LYS 556.A O no hydrogen 2.859 N/A GLY 562.A N PRO 263.A O no hydrogen 2.754 N/A ARG 563.A NH1 THR 281.A OG1 no hydrogen 3.212 N/A MET 564.A N PRO 266.A O no hydrogen 2.872 N/A LYS 565.A NZ GLU 533.A OE1 no hydrogen 3.129 N/A LYS 565.A NZ GLU 533.A OE2 no hydrogen 2.481 N/A PHE 566.A N ARG 563.A O no hydrogen 3.000 N/A THR 567.A N ARG 563.A O no hydrogen 2.873 N/A THR 567.A OG1 ALA 558.A O no hydrogen 3.059 N/A THR 567.A OG1 GLN 561.A O no hydrogen 3.185 N/A THR 567.A OG1 GLN 561.A OE1 no hydrogen 3.019 N/A THR 567.A OG1 ARG 563.A O no hydrogen 3.447 N/A ARG 568.A N MET 564.A O no hydrogen 2.976 N/A ARG 568.A NE ASP 606.A OD2 no hydrogen 2.749 N/A ARG 568.A NH1 ASP 606.A OD1 no hydrogen 2.814 N/A ARG 568.A NH1 ASP 606.A OD2 no hydrogen 3.462 N/A LEU 570.A N PHE 566.A O no hydrogen 3.130 N/A PHE 571.A N THR 567.A O no hydrogen 2.987 N/A LYS 572.A N ARG 568.A O no hydrogen 2.912 N/A ASP 573.A N PRO 569.A O no hydrogen 2.777 N/A LEU 574.A N LEU 570.A O no hydrogen 2.906 N/A ALA 575.A N PHE 571.A O no hydrogen 2.951 N/A ALA 576.A N LYS 572.A O no hydrogen 3.146 N/A ALA 576.A N ASP 573.A O no hydrogen 3.049 N/A SER 580.A N PHE 577.A O no hydrogen 2.938 N/A SER 580.A OG LEU 574.A O no hydrogen 2.655 N/A SER 580.A OG PHE 577.A O no hydrogen 3.335 N/A HIS 581.A N PHE 577.A O no hydrogen 2.878 N/A HIS 581.A ND1 ASP 582.A OD1 no hydrogen 3.354 N/A ALA 584.A N SER 580.A O no hydrogen 2.817 N/A VAL 585.A N HIS 581.A O no hydrogen 3.176 N/A ARG 586.A N ASP 582.A O no hydrogen 2.932 N/A THR 587.A N GLN 583.A O no hydrogen 2.881 N/A THR 587.A OG1 GLN 583.A O no hydrogen 2.654 N/A TYR 588.A N ALA 584.A O no hydrogen 3.028 N/A TYR 588.A OH ALA 600.A O no hydrogen 2.626 N/A GLN 589.A N VAL 585.A O no hydrogen 2.936 N/A GLU 590.A N ARG 586.A O no hydrogen 2.896 N/A HIS 591.A N THR 587.A O no hydrogen 3.017 N/A HIS 591.A N TYR 588.A O no hydrogen 2.944 N/A HIS 591.A ND1 THR 587.A O no hydrogen 3.088 N/A LYS 592.A N TYR 588.A O no hydrogen 2.740 N/A LYS 592.A NZ ASP 610.A OD1 no hydrogen 2.799 N/A LYS 592.A NZ ASP 610.A OD2 no hydrogen 3.388 N/A SER 594.A N HIS 591.A O no hydrogen 2.817 N/A SER 594.A OG HIS 591.A O no hydrogen 3.095 N/A MET 595.A N LYS 592.A O no hydrogen 2.944 N/A ALA 600.A N HIS 596.A O no hydrogen 2.845 N/A MET 601.A N PRO 597.A O no hydrogen 3.163 N/A LEU 602.A N VAL 598.A O no hydrogen 2.980 N/A VAL 603.A N THR 599.A O no hydrogen 2.907 N/A GLY 604.A N ALA 600.A O no hydrogen 3.146 N/A LYS 605.A N MET 601.A O no hydrogen 3.061 N/A ASP 606.A N LEU 602.A O no hydrogen 2.794 N/A LEU 607.A N VAL 603.A O no hydrogen 2.915 N/A LYS 608.A N LYS 605.A O no hydrogen 3.143 N/A VAL 609.A N GLY 604.A O no hydrogen 2.820 N/A