Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3chq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A N ASP 3.A OD1 no hydrogen 2.774 N/A SER 6.A N ASP 3.A O no hydrogen 3.293 N/A SER 6.A OG ASP 53.A OD1 no hydrogen 3.365 N/A SER 6.A OG ASP 53.A OD2 no hydrogen 2.458 N/A LEU 7.A N ASP 53.A OD1 no hydrogen 2.693 N/A ALA 8.A N SER 6.A OG no hydrogen 3.112 N/A SER 9.A N VAL 51.A O no hydrogen 2.649 N/A SER 9.A OG VAL 51.A O no hydrogen 3.545 N/A VAL 13.A N PRO 10.A O no hydrogen 2.884 N/A CYS 14.A N PRO 10.A O no hydrogen 3.260 N/A ARG 15.A N GLN 41.A O no hydrogen 2.794 N/A THR 16.A OG1 GLN 145.A OE1 no hydrogen 2.835 N/A LYS 17.A N THR 39.A O no hydrogen 2.688 N/A HIS 18.A ND1 THR 153.A OG1 no hydrogen 2.610 N/A LEU 19.A N THR 153.A O no hydrogen 2.934 N/A HIS 20.A N ALA 37.A O no hydrogen 2.708 N/A HIS 20.A NE2 GLU 157.A OE1 no hydrogen 3.257 N/A HIS 20.A NE2 GLU 157.A OE2 no hydrogen 3.181 N/A LEU 21.A N THR 155.A O no hydrogen 2.897 N/A ARG 22.A N THR 35.A O no hydrogen 3.248 N/A CYS 23.A N GLU 157.A O no hydrogen 3.022 N/A SER 24.A N THR 33.A O no hydrogen 2.750 N/A SER 24.A OG SER 159.A O no hydrogen 3.164 N/A VAL 25.A N SER 159.A O no hydrogen 2.758 N/A ASP 26.A N THR 31.A O no hydrogen 3.034 N/A ARG 29.A N ASP 26.A OD1 no hydrogen 3.235 N/A ARG 29.A NH1 ASP 26.A OD2 no hydrogen 3.184 N/A THR 31.A N ASP 26.A O no hydrogen 3.065 N/A LEU 32.A N THR 106.A OG1 no hydrogen 2.740 N/A THR 33.A N SER 24.A O no hydrogen 3.258 N/A GLY 34.A N PHE 104.A O no hydrogen 3.270 N/A THR 35.A N ARG 22.A O no hydrogen 2.851 N/A ALA 36.A N ILE 102.A O no hydrogen 2.862 N/A ALA 37.A N HIS 20.A O no hydrogen 2.716 N/A LEU 38.A N ILE 100.A O no hydrogen 2.844 N/A THR 39.A N HIS 18.A O no hydrogen 2.854 N/A VAL 40.A N ILE 98.A O no hydrogen 2.899 N/A GLN 41.A N ARG 15.A O no hydrogen 2.688 N/A GLN 41.A NE2 GLN 43.A OE1 no hydrogen 2.754 N/A SER 42.A N GLN 96.A O no hydrogen 2.873 N/A SER 42.A OG GLU 44.A O no hydrogen 2.615 N/A GLN 43.A N VAL 13.A O no hydrogen 2.735 N/A GLU 44.A N SER 42.A OG no hydrogen 3.331 N/A LEU 47.A N LEU 92.A O no hydrogen 2.683 N/A LEU 50.A N ILE 86.A O no hydrogen 3.097 N/A VAL 51.A N SER 9.A OG no hydrogen 2.855 N/A LEU 52.A N MET 84.A O no hydrogen 2.825 N/A ASP 53.A N CYS 144.A O no hydrogen 2.621 N/A THR 54.A N SER 82.A O no hydrogen 3.278 N/A THR 54.A OG1 SER 82.A O no hydrogen 2.518 N/A LYS 55.A N ARG 139.A O no hydrogen 3.028 N/A LYS 55.A NZ ILE 136.A O no hydrogen 3.350 N/A LYS 55.A NZ HIS 137.A ND1 no hydrogen 3.176 N/A THR 58.A N GLU 105.A O no hydrogen 2.679 N/A GLU 60.A N SER 103.A O no hydrogen 2.838 N/A VAL 63.A N GLU 101.A O no hydrogen 2.761 N/A ILE 64.A N GLN 67.A O no hydrogen 2.769 N/A GLN 67.A N ILE 64.A O no hydrogen 3.059 N/A VAL 69.A N VAL 62.A O no hydrogen 2.815 N/A ALA 72.A N GLU 85.A O no hydrogen 2.927 N/A GLY 74.A N PRO 83.A O no hydrogen 2.788 N/A ARG 76.A NE SER 78.A O no hydrogen 2.820 N/A ARG 76.A NH1 ASP 56.A OD1 no hydrogen 2.753 N/A ARG 76.A NH2 ASP 56.A OD2 no hydrogen 3.464 N/A GLN 77.A N GLY 81.A O no hydrogen 2.731 N/A SER 78.A OG GLN 77.A O no hydrogen 2.868 N/A LYS 80.A N GLN 77.A O no hydrogen 2.987 N/A LYS 80.A NZ ASP 369.A OD1 no hydrogen 3.302 N/A GLY 81.A N SER 78.A O no hydrogen 3.275 N/A SER 82.A N THR 54.A O no hydrogen 2.864 N/A MET 84.A N LEU 52.A O no hydrogen 2.874 N/A GLU 85.A N ALA 72.A O no hydrogen 2.851 N/A ILE 86.A N LEU 50.A O no hydrogen 2.723 N/A SER 87.A N LYS 70.A O no hydrogen 3.111 N/A LEU 88.A N ARG 48.A O no hydrogen 2.611 N/A LEU 92.A N LEU 47.A O no hydrogen 2.661 N/A SER 93.A N GLN 96.A OE1 no hydrogen 3.460 N/A SER 93.A OG GLN 96.A OE1 no hydrogen 3.107 N/A LYS 94.A N ASP 45.A OD1 no hydrogen 3.087 N/A LYS 94.A NZ ASP 45.A OD2 no hydrogen 3.083 N/A ASN 95.A N SER 42.A O no hydrogen 2.720 N/A GLN 96.A N SER 93.A O no hydrogen 2.918 N/A ILE 98.A N VAL 40.A O no hydrogen 3.030 N/A ILE 100.A N LEU 38.A O no hydrogen 2.889 N/A GLU 101.A N VAL 63.A O no hydrogen 2.873 N/A ILE 102.A N ALA 36.A O no hydrogen 3.099 N/A SER 103.A N LYS 61.A O no hydrogen 2.872 N/A PHE 104.A N GLY 34.A O no hydrogen 2.973 N/A GLU 105.A N THR 58.A O no hydrogen 2.583 N/A THR 106.A N LEU 32.A O no hydrogen 3.052 N/A THR 106.A OG1 LEU 32.A O no hydrogen 3.517 N/A LYS 109.A N SER 107.A OG no hydrogen 3.115 N/A SER 110.A N SER 107.A O no hydrogen 2.996 N/A SER 110.A OG ALA 140.A O no hydrogen 2.928 N/A SER 111.A OG HIS 137.A ND1 no hydrogen 2.829 N/A ALA 112.A N SER 110.A OG no hydrogen 3.273 N/A LEU 113.A N SER 110.A O no hydrogen 3.182 N/A GLN 114.A N PHE 130.A O no hydrogen 3.175 N/A LEU 116.A N TYR 128.A O no hydrogen 2.871 N/A THR 117.A N GLN 120.A OE1 no hydrogen 2.799 N/A THR 117.A OG1 GLN 120.A OE1 no hydrogen 3.121 N/A GLN 120.A N THR 117.A O no hydrogen 2.990 N/A THR 121.A N PRO 118.A O no hydrogen 3.146 N/A THR 121.A OG1 PRO 118.A O no hydrogen 2.803 N/A THR 121.A OG1 HIS 126.A O no hydrogen 3.379 N/A SER 122.A N GLU 221.A OE2 no hydrogen 2.850 N/A GLY 123.A N GLU 221.A OE1 no hydrogen 2.896 N/A LYS 124.A N THR 121.A OG1 no hydrogen 3.078 N/A LYS 124.A NZ GLU 119.A O no hydrogen 2.747 N/A LYS 124.A NZ THR 121.A O no hydrogen 2.973 N/A TYR 128.A N LEU 116.A O no hydrogen 3.238 N/A LEU 129.A N VAL 204.A O no hydrogen 2.902 N/A PHE 130.A N GLN 114.A O no hydrogen 3.430 N/A SER 131.A N LEU 202.A O no hydrogen 3.055 N/A SER 131.A OG LEU 202.A O no hydrogen 3.334 N/A GLN 132.A N ALA 112.A O no hydrogen 2.779 N/A CYS 133.A SG ILE 200.A O no hydrogen 3.328 N/A HIS 137.A N CYS 133.A O no hydrogen 2.634 N/A HIS 137.A ND1 SER 111.A OG no hydrogen 2.829 N/A HIS 137.A NE2 ASP 373.A OD2 no hydrogen 2.673 N/A CYS 138.A SG CYS 197.A O no hydrogen 3.490 N/A ARG 139.A N ASP 146.A OD2 no hydrogen 3.174 N/A ARG 139.A NE ASP 146.A OD2 no hydrogen 2.621 N/A ARG 139.A NH1 CYS 5.A O no hydrogen 3.184 N/A ARG 139.A NH1 LYS 80.A O no hydrogen 2.737 N/A ARG 139.A NH2 CYS 5.A O no hydrogen 2.949 N/A ARG 139.A NH2 ASP 146.A O no hydrogen 3.128 N/A ALA 140.A N HIS 137.A O no hydrogen 2.799 N/A ILE 141.A N CYS 138.A O no hydrogen 2.743 N/A LEU 142.A N CYS 138.A O no hydrogen 3.096 N/A CYS 144.A N ASP 53.A O no hydrogen 3.175 N/A CYS 144.A SG LEU 142.A O no hydrogen 3.410 N/A GLN 145.A NE2 SER 9.A O no hydrogen 2.690 N/A GLN 145.A NE2 CYS 14.A O no hydrogen 2.824 N/A ASP 146.A N ASP 53.A OD2 no hydrogen 2.790 N/A THR 147.A N GLN 145.A O no hydrogen 2.833 N/A THR 147.A OG1 ASP 3.A OD2 no hydrogen 2.583 N/A THR 147.A OG1 SER 149.A OG no hydrogen 2.968 N/A SER 149.A N THR 147.A OG1 no hydrogen 3.319 N/A SER 149.A OG THR 147.A OG1 no hydrogen 2.968 N/A VAL 150.A N THR 147.A O no hydrogen 3.327 N/A LYS 151.A NZ LYS 415.A O no hydrogen 2.890 N/A LEU 152.A N ILE 195.A O no hydrogen 2.924 N/A THR 153.A N LYS 17.A O no hydrogen 3.042 N/A THR 153.A OG1 LYS 17.A O no hydrogen 3.228 N/A THR 153.A OG1 HIS 18.A ND1 no hydrogen 2.610 N/A TYR 154.A N GLN 191.A O no hydrogen 3.231 N/A TYR 154.A OH SER 169.A OG no hydrogen 2.926 N/A THR 155.A N LEU 19.A O no hydrogen 2.951 N/A ALA 156.A N PHE 189.A O no hydrogen 2.848 N/A GLU 157.A N LEU 21.A O no hydrogen 2.745 N/A VAL 158.A N TYR 187.A O no hydrogen 2.874 N/A SER 159.A N CYS 23.A O no hydrogen 2.763 N/A SER 159.A OG ASP 178.A OD2 no hydrogen 2.925 N/A VAL 160.A N LYS 185.A O no hydrogen 2.810 N/A LYS 162.A N SER 183.A O no hydrogen 3.211 N/A LYS 162.A NZ ARG 184.A O no hydrogen 2.679 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.840 N/A LEU 164.A N PRO 161.A O no hydrogen 2.702 N/A VAL 165.A N GLY 205.A O no hydrogen 2.795 N/A LEU 167.A N VAL 203.A O no hydrogen 2.894 N/A SER 169.A N ALA 201.A O no hydrogen 3.255 N/A SER 169.A OG TYR 154.A OH no hydrogen 2.926 N/A SER 169.A OG LEU 199.A O no hydrogen 2.724 N/A ILE 171.A N ILE 190.A O no hydrogen 2.825 N/A ASP 173.A N LYS 188.A O no hydrogen 2.730 N/A THR 176.A N ILE 186.A O no hydrogen 3.228 N/A ASP 178.A N ARG 184.A O no hydrogen 2.828 N/A GLU 180.A N ASP 178.A OD1 no hydrogen 2.820 N/A ARG 184.A NE SER 159.A OG no hydrogen 3.047 N/A ARG 184.A NH2 VAL 25.A O no hydrogen 2.763 N/A ARG 184.A NH2 SER 159.A O no hydrogen 2.654 N/A LYS 185.A N VAL 160.A O no hydrogen 2.735 N/A LYS 185.A NZ LYS 162.A O no hydrogen 3.473 N/A LYS 185.A NZ GLU 175.A OE1 no hydrogen 3.467 N/A ILE 186.A N THR 176.A O no hydrogen 2.983 N/A TYR 187.A N VAL 158.A O no hydrogen 2.867 N/A TYR 187.A OH LEU 164.A O no hydrogen 3.305 N/A LYS 188.A N GLY 174.A O no hydrogen 3.094 N/A PHE 189.A N ALA 156.A O no hydrogen 2.699 N/A ILE 190.A N ILE 171.A O no hydrogen 2.927 N/A GLN 191.A N TYR 154.A O no hydrogen 2.799 N/A GLN 191.A NE2 SER 169.A O no hydrogen 2.952 N/A VAL 193.A N GLN 191.A OE1 no hydrogen 3.239 N/A ILE 195.A N LEU 152.A O no hydrogen 2.851 N/A CYS 197.A SG GLN 145.A O no hydrogen 3.549 N/A CYS 197.A SG ASP 146.A OD1 no hydrogen 3.310 N/A LEU 199.A N PRO 196.A O no hydrogen 3.086 N/A ILE 200.A N CYS 197.A O no hydrogen 3.237 N/A ALA 201.A N SER 169.A OG no hydrogen 2.971 N/A LEU 202.A N SER 131.A OG no hydrogen 2.869 N/A VAL 203.A N LEU 167.A O no hydrogen 2.956 N/A VAL 204.A N LEU 129.A O no hydrogen 2.986 N/A GLY 205.A N VAL 165.A O no hydrogen 2.968 N/A GLU 208.A N SER 220.A O no hydrogen 2.902 N/A ARG 210.A N VAL 218.A O no hydrogen 3.000 N/A GLN 211.A NE2 GLY 213.A O no hydrogen 3.183 N/A ILE 212.A N THR 216.A O no hydrogen 3.083 N/A GLY 213.A N THR 216.A O no hydrogen 3.188 N/A ARG 215.A NE GLU 236.A OE1 no hydrogen 3.127 N/A ARG 215.A NH1 GLU 243.A OE1 no hydrogen 3.197 N/A ARG 215.A NH2 GLU 236.A OE2 no hydrogen 3.202 N/A ARG 215.A NH2 GLU 243.A OE1 no hydrogen 2.907 N/A THR 216.A N GLY 213.A O no hydrogen 3.158 N/A THR 216.A OG1 TYR 254.A O no hydrogen 2.636 N/A LEU 217.A N ASP 255.A OD1 no hydrogen 2.849 N/A VAL 218.A N ARG 210.A O no hydrogen 2.724 N/A TRP 219.A N LEU 256.A O no hydrogen 2.687 N/A TRP 219.A NE1 ASP 255.A OD2 no hydrogen 2.951 N/A SER 220.A N GLU 208.A O no hydrogen 3.095 N/A SER 220.A OG GLU 221.A O no hydrogen 2.900 N/A GLN 224.A N GLU 221.A O no hydrogen 3.075 N/A GLN 224.A NE2 SER 122.A OG no hydrogen 2.773 N/A VAL 225.A N LYS 222.A O no hydrogen 3.363 N/A LYS 227.A NZ LEU 281.A O no hydrogen 3.175 N/A SER 228.A N GLN 224.A O no hydrogen 2.907 N/A SER 228.A OG GLN 224.A O no hydrogen 2.911 N/A ALA 229.A N VAL 225.A O no hydrogen 2.918 N/A TYR 230.A N GLU 226.A O no hydrogen 3.211 N/A TYR 230.A OH GLY 283.A O no hydrogen 3.419 N/A GLU 231.A N LYS 227.A O no hydrogen 2.889 N/A PHE 232.A N SER 228.A O no hydrogen 3.074 N/A SER 233.A N TYR 230.A O no hydrogen 3.243 N/A SER 233.A OG TYR 230.A O no hydrogen 3.482 N/A THR 235.A N PHE 232.A O no hydrogen 3.236 N/A THR 235.A OG1 PHE 232.A O no hydrogen 2.590 N/A SER 237.A OG GLU 234.A O no hydrogen 2.826 N/A MET 238.A N GLU 234.A O no hydrogen 3.193 N/A LEU 239.A N THR 235.A O no hydrogen 3.061 N/A LYS 240.A N GLU 236.A O no hydrogen 3.070 N/A ILE 241.A N SER 237.A O no hydrogen 3.255 N/A ALA 242.A N MET 238.A O no hydrogen 2.835 N/A GLU 243.A N LEU 239.A O no hydrogen 2.842 N/A ASP 244.A N LYS 240.A O no hydrogen 3.093 N/A LEU 245.A N ILE 241.A O no hydrogen 3.008 N/A LEU 245.A N ALA 242.A O no hydrogen 3.144 N/A GLY 246.A N ALA 242.A O no hydrogen 2.840 N/A GLY 247.A N GLU 243.A O no hydrogen 2.975 N/A TYR 249.A N GLU 243.A OE2 no hydrogen 2.889 N/A TYR 249.A OH GLN 253.A O no hydrogen 2.734 N/A TRP 251.A NE1 SER 298.A O no hydrogen 2.884 N/A GLN 253.A N TRP 251.A O no hydrogen 3.192 N/A GLN 253.A NE2 ASP 255.A OD1 no hydrogen 2.692 N/A TYR 254.A N ARG 215.A O no hydrogen 2.759 N/A TYR 254.A OH THR 274.A OG1 no hydrogen 2.852 N/A ASP 255.A N CYS 272.A O no hydrogen 3.070 N/A LEU 256.A N LEU 217.A O no hydrogen 2.921 N/A LEU 257.A N THR 274.A O no hydrogen 2.785 N/A VAL 258.A N TRP 219.A O no hydrogen 2.798 N/A LEU 259.A N VAL 276.A O no hydrogen 3.184 N/A SER 262.A OG GLN 114.A OE1 no hydrogen 2.894 N/A PHE 263.A N PRO 260.A O no hydrogen 2.983 N/A MET 268.A N PHE 275.A O no hydrogen 2.867 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.677 N/A ASN 270.A N MET 268.A O no hydrogen 2.759 N/A CYS 272.A SG TRP 251.A O no hydrogen 3.572 N/A LEU 273.A N ASN 270.A O no hydrogen 2.972 N/A THR 274.A N ASP 255.A O no hydrogen 2.955 N/A THR 274.A OG1 TYR 254.A OH no hydrogen 2.852 N/A PHE 275.A N MET 268.A O no hydrogen 3.024 N/A VAL 276.A N LEU 257.A O no hydrogen 2.896 N/A THR 277.A N GLY 266.A O no hydrogen 3.004 N/A THR 277.A OG1 THR 279.A OG1 no hydrogen 2.815 N/A THR 279.A N THR 277.A OG1 no hydrogen 3.011 N/A THR 279.A OG1 THR 277.A OG1 no hydrogen 2.815 N/A LEU 280.A N THR 277.A O no hydrogen 3.207 N/A LEU 281.A N PRO 278.A O no hydrogen 3.057 N/A ALA 282.A N LEU 280.A O no hydrogen 2.753 N/A GLY 283.A N GLU 231.A OE1 no hydrogen 2.669 N/A GLY 283.A N GLU 231.A OE2 no hydrogen 3.099 N/A LYS 285.A N GLU 231.A OE2 no hydrogen 2.687 N/A SER 286.A N ASP 284.A OD1 no hydrogen 2.925 N/A SER 286.A OG ASP 284.A OD1 no hydrogen 2.756 N/A SER 286.A OG ASP 284.A OD2 no hydrogen 3.550 N/A SER 288.A N LYS 285.A O no hydrogen 3.176 N/A SER 288.A OG GLU 234.A OE1 no hydrogen 3.287 N/A SER 288.A OG LYS 285.A O no hydrogen 3.252 N/A ASN 289.A ND2 GLU 323.A OE2 no hydrogen 2.968 N/A VAL 290.A N LEU 287.A O no hydrogen 3.288 N/A ALA 292.A N SER 288.A O no hydrogen 3.102 N/A HIS 293.A N ASN 289.A O no hydrogen 2.892 N/A HIS 293.A ND1 GLU 323.A OE1 no hydrogen 2.686 N/A GLU 294.A N VAL 290.A O no hydrogen 3.048 N/A ILE 295.A N ILE 291.A O no hydrogen 2.828 N/A SER 296.A N ALA 292.A O no hydrogen 3.027 N/A SER 296.A OG ALA 292.A O no hydrogen 2.744 N/A HIS 297.A N HIS 293.A O no hydrogen 3.314 N/A HIS 297.A ND1 THR 300.A O no hydrogen 2.815 N/A SER 298.A N ILE 295.A O no hydrogen 2.949 N/A SER 298.A OG ILE 295.A O no hydrogen 2.942 N/A TRP 299.A N SER 296.A O no hydrogen 3.079 N/A TRP 299.A NE1 GLY 247.A O no hydrogen 3.140 N/A TRP 299.A NE1 PRO 248.A O no hydrogen 3.124 N/A THR 300.A N SER 296.A O no hydrogen 3.159 N/A THR 300.A OG1 SER 296.A O no hydrogen 3.323 N/A THR 300.A OG1 THR 319.A OG1 no hydrogen 2.825 N/A GLY 301.A N VAL 304.A O no hydrogen 2.658 N/A ASN 302.A N HIS 297.A O no hydrogen 2.996 N/A ASN 302.A ND2 GLU 269.A O no hydrogen 2.839 N/A LEU 303.A N TRP 299.A O no hydrogen 3.198 N/A VAL 304.A N TRP 299.A O no hydrogen 3.066 N/A THR 305.A N LYS 415.A O no hydrogen 3.097 N/A THR 305.A OG1 GLY 301.A O no hydrogen 2.568 N/A ASN 306.A N ASN 315.A OD1 no hydrogen 2.928 N/A ASN 306.A ND2 ASN 306.A O no hydrogen 2.544 N/A LYS 307.A N ILE 417.A O no hydrogen 2.868 N/A HIS 311.A N THR 308.A O no hydrogen 3.130 N/A HIS 311.A ND1 THR 419.A OG1 no hydrogen 2.715 N/A PHE 312.A N TRP 309.A O no hydrogen 3.050 N/A TRP 313.A NE1 THR 419.A OG1 no hydrogen 2.886 N/A LEU 314.A N HIS 311.A O no hydrogen 3.022 N/A ASN 315.A ND2 TYR 198.A OH no hydrogen 2.994 N/A GLU 316.A N PHE 312.A O no hydrogen 3.303 N/A GLY 317.A N TRP 313.A O no hydrogen 2.677 N/A HIS 318.A ND1 LEU 314.A O no hydrogen 2.991 N/A THR 319.A N ASN 315.A O no hydrogen 3.387 N/A THR 319.A OG1 HIS 297.A ND1 no hydrogen 2.971 N/A THR 319.A OG1 THR 300.A OG1 no hydrogen 2.825 N/A THR 319.A OG1 ASN 315.A O no hydrogen 2.659 N/A VAL 320.A N GLU 316.A O no hydrogen 2.848 N/A TYR 321.A N GLY 317.A O no hydrogen 3.053 N/A TYR 321.A OH GLU 392.A OE1 no hydrogen 2.531 N/A LEU 322.A N HIS 318.A O no hydrogen 3.001 N/A GLU 323.A N THR 319.A O no hydrogen 2.748 N/A ARG 324.A N VAL 320.A O no hydrogen 3.038 N/A ARG 324.A NH1 GLU 382.A OE1 no hydrogen 3.102 N/A ARG 324.A NH2 GLU 382.A OE2 no hydrogen 2.817 N/A HIS 325.A N TYR 321.A O no hydrogen 3.186 N/A HIS 325.A NE2 TYR 321.A OH no hydrogen 3.161 N/A ILE 326.A N LEU 322.A O no hydrogen 2.908 N/A CYS 327.A N GLU 323.A O no hydrogen 3.112 N/A CYS 327.A SG GLU 323.A O no hydrogen 3.827 N/A GLY 328.A N ARG 324.A O no hydrogen 2.869 N/A ARG 329.A N HIS 325.A O no hydrogen 2.784 N/A ARG 329.A NH1 ASP 244.A OD2 no hydrogen 3.166 N/A ARG 329.A NH2 ASP 244.A OD2 no hydrogen 2.852 N/A LEU 330.A N ILE 326.A O no hydrogen 3.031 N/A PHE 331.A N CYS 327.A O no hydrogen 2.835 N/A GLY 332.A N GLY 328.A O no hydrogen 2.700 N/A ARG 336.A N GLY 332.A O no hydrogen 3.153 N/A ARG 336.A NE GLU 333.A OE1 no hydrogen 2.813 N/A ARG 336.A NE GLU 333.A OE2 no hydrogen 3.434 N/A ARG 336.A NH1 GLU 392.A OE1 no hydrogen 2.968 N/A ARG 336.A NH2 GLU 333.A OE2 no hydrogen 2.887 N/A ARG 336.A NH2 GLU 392.A OE1 no hydrogen 3.500 N/A ARG 336.A NH2 GLU 392.A OE2 no hydrogen 2.792 N/A HIS 337.A N GLU 333.A O no hydrogen 3.031 N/A PHE 338.A N LYS 334.A O no hydrogen 3.068 N/A ASN 339.A N PHE 335.A O no hydrogen 2.990 N/A ALA 340.A N ARG 336.A O no hydrogen 2.874 N/A LEU 341.A N HIS 337.A O no hydrogen 2.926 N/A GLY 342.A N PHE 338.A O no hydrogen 2.985 N/A GLY 343.A N ASN 339.A O no hydrogen 2.928 N/A TRP 344.A N ALA 340.A O no hydrogen 3.156 N/A GLY 345.A N LEU 341.A O no hydrogen 3.132 N/A GLU 346.A N GLY 342.A O no hydrogen 3.014 N/A LEU 347.A N GLY 343.A O no hydrogen 2.940 N/A GLN 348.A N TRP 344.A O no hydrogen 2.937 N/A ASN 349.A N GLY 345.A O no hydrogen 3.152 N/A SER 350.A N GLU 346.A O no hydrogen 3.013 N/A SER 350.A OG GLU 346.A O no hydrogen 3.370 N/A SER 350.A OG SER 378.A OG no hydrogen 2.610 N/A VAL 351.A N LEU 347.A O no hydrogen 2.931 N/A LYS 352.A N GLN 348.A O no hydrogen 2.999 N/A THR 353.A N ASN 349.A O no hydrogen 2.916 N/A THR 353.A OG1 ASN 349.A O no hydrogen 3.013 N/A PHE 354.A N SER 350.A O no hydrogen 2.962 N/A GLY 355.A N VAL 351.A O no hydrogen 2.785 N/A HIS 358.A N GLY 355.A O no hydrogen 3.118 N/A THR 361.A N HIS 358.A O no hydrogen 2.975 N/A THR 361.A OG1 HIS 358.A O no hydrogen 2.636 N/A LYS 362.A N PRO 359.A O no hydrogen 3.350 N/A VAL 364.A N LEU 446.A O no hydrogen 3.110 N/A VAL 365.A N ASP 310.A O no hydrogen 3.237 N/A LEU 367.A N ASP 310.A OD1 no hydrogen 3.024 N/A THR 368.A N ASP 366.A OD1 no hydrogen 2.904 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.760 N/A ILE 370.A N LEU 367.A O no hydrogen 3.026 N/A ASP 373.A N ASP 371.A OD1 no hydrogen 2.986 N/A VAL 374.A N ASP 371.A O no hydrogen 2.822 N/A ALA 375.A N ASP 371.A O no hydrogen 3.247 N/A TYR 376.A N PRO 372.A O no hydrogen 3.051 N/A TYR 376.A OH TYR 381.A OH no hydrogen 2.807 N/A SER 378.A OG SER 350.A OG no hydrogen 2.610 N/A VAL 379.A N SER 377.A OG no hydrogen 3.134 N/A TYR 381.A OH TYR 376.A OH no hydrogen 2.807 N/A GLU 382.A N SER 378.A O no hydrogen 2.867 N/A LYS 383.A N VAL 379.A O no hydrogen 2.768 N/A LYS 383.A NZ THR 361.A O no hydrogen 2.612 N/A LYS 383.A NZ SER 448.A O no hydrogen 2.998 N/A LYS 383.A NZ GLY 450.A O no hydrogen 2.687 N/A GLY 384.A N PRO 380.A O no hydrogen 3.229 N/A PHE 385.A N TYR 381.A O no hydrogen 2.973 N/A ALA 386.A N GLU 382.A O no hydrogen 2.950 N/A LEU 387.A N LYS 383.A O no hydrogen 3.071 N/A LEU 388.A N GLY 384.A O no hydrogen 3.227 N/A PHE 389.A N PHE 385.A O no hydrogen 2.887 N/A TYR 390.A N ALA 386.A O no hydrogen 2.933 N/A LEU 391.A N LEU 387.A O no hydrogen 2.989 N/A GLU 392.A N LEU 388.A O no hydrogen 2.845 N/A GLN 393.A N PHE 389.A O no hydrogen 3.132 N/A GLN 393.A NE2 ASN 457.A O no hydrogen 2.649 N/A LEU 394.A N TYR 390.A O no hydrogen 2.901 N/A LEU 395.A N LEU 391.A O no hydrogen 2.827 N/A GLY 397.A N GLU 392.A O no hydrogen 2.760 N/A PHE 401.A N GLY 397.A O no hydrogen 3.091 N/A LEU 402.A N PRO 398.A O no hydrogen 2.863 N/A GLY 403.A N GLU 399.A O no hydrogen 3.261 N/A PHE 404.A N ILE 400.A O no hydrogen 3.316 N/A LEU 405.A N PHE 401.A O no hydrogen 2.913 N/A LYS 406.A N LEU 402.A O no hydrogen 3.052 N/A LYS 406.A NZ ASP 244.A O no hydrogen 3.122 N/A ALA 407.A N GLY 403.A O no hydrogen 3.186 N/A TYR 408.A N PHE 404.A O no hydrogen 2.762 N/A VAL 409.A N LEU 405.A O no hydrogen 2.941 N/A GLU 410.A N LYS 406.A O no hydrogen 2.967 N/A LYS 411.A N ALA 407.A O no hydrogen 2.779 N/A PHE 412.A N TYR 408.A O no hydrogen 3.119 N/A SER 413.A OG VAL 409.A O no hydrogen 2.646 N/A TYR 414.A N LEU 303.A O no hydrogen 2.741 N/A LYS 415.A N PHE 412.A O no hydrogen 3.071 N/A SER 416.A OG PRO 148.A O no hydrogen 2.695 N/A ILE 417.A N THR 305.A O no hydrogen 2.767 N/A THR 418.A N ASP 421.A OD2 no hydrogen 2.822 N/A THR 418.A OG1 ASP 421.A OD2 no hydrogen 3.249 N/A THR 419.A N HIS 311.A ND1 no hydrogen 3.074 N/A THR 419.A OG1 HIS 311.A ND1 no hydrogen 2.715 N/A ASP 421.A N THR 418.A OG1 no hydrogen 3.315 N/A TRP 422.A N THR 418.A O no hydrogen 3.219 N/A LYS 423.A N THR 419.A O no hydrogen 2.982 N/A ASP 424.A N ASP 420.A O no hydrogen 3.038 N/A PHE 425.A N ASP 421.A O no hydrogen 3.162 N/A LEU 426.A N TRP 422.A O no hydrogen 2.886 N/A TYR 427.A N LYS 423.A O no hydrogen 2.943 N/A SER 428.A N ASP 424.A O no hydrogen 3.123 N/A TYR 429.A N PHE 425.A O no hydrogen 2.756 N/A PHE 430.A N LEU 426.A O no hydrogen 2.965 N/A LYS 431.A NZ SER 428.A O no hydrogen 3.082 N/A LYS 433.A N PHE 430.A O no hydrogen 2.906 N/A LYS 433.A NZ LEU 395.A O no hydrogen 2.716 N/A LEU 437.A N LYS 433.A O no hydrogen 3.023 N/A ASN 438.A N VAL 434.A O no hydrogen 2.848 N/A GLN 439.A N VAL 436.A O no hydrogen 2.879 N/A VAL 440.A N LEU 437.A O no hydrogen 3.220 N/A TRP 442.A NE1 TYR 427.A OH no hydrogen 3.077 N/A TRP 442.A NE1 LEU 437.A O no hydrogen 3.109 N/A ALA 444.A N ASP 441.A OD1 no hydrogen 3.213 N/A TRP 445.A N ASP 441.A O no hydrogen 3.017 N/A LEU 446.A N TRP 442.A O no hydrogen 2.852 N/A TYR 447.A N ASN 443.A O no hydrogen 2.847 N/A SER 448.A N ALA 444.A O no hydrogen 3.047 N/A GLY 450.A N THR 361.A OG1 no hydrogen 2.856 N/A ASN 457.A N GLN 393.A OE1 no hydrogen 2.883 N/A ASN 457.A ND2 GLN 393.A OE1 no hydrogen 3.298 N/A ASP 459.A N HIS 337.A ND1 no hydrogen 2.873 N/A THR 461.A N ASP 459.A OD2 no hydrogen 3.033 N/A THR 461.A OG1 ASP 459.A OD1 no hydrogen 3.463 N/A THR 461.A OG1 ASP 459.A OD2 no hydrogen 2.705 N/A THR 463.A N MET 460.A O no hydrogen 2.981 N/A ASN 464.A N MET 460.A O no hydrogen 3.005 N/A CYS 466.A N THR 463.A O no hydrogen 2.948 N/A CYS 466.A SG LEU 462.A O no hydrogen 3.905 N/A CYS 466.A SG GLN 496.A O no hydrogen 3.388 N/A ILE 467.A N THR 463.A O no hydrogen 3.095 N/A ALA 468.A N ASN 464.A O no hydrogen 2.992 N/A LEU 469.A N ALA 465.A O no hydrogen 3.238 N/A SER 470.A N CYS 466.A O no hydrogen 2.996 N/A SER 470.A OG CYS 466.A O no hydrogen 3.167 N/A SER 470.A OG ILE 467.A O no hydrogen 3.132 N/A SER 470.A OG GLN 503.A OE1 no hydrogen 3.030 N/A GLN 471.A N ILE 467.A O no hydrogen 3.021 N/A ARG 472.A N ALA 468.A O no hydrogen 3.065 N/A TRP 473.A N LEU 469.A O no hydrogen 3.057 N/A TRP 473.A NE1 TYR 522.A OH no hydrogen 2.932 N/A ILE 474.A N SER 470.A O no hydrogen 2.763 N/A THR 475.A N GLN 471.A O no hydrogen 2.885 N/A THR 475.A OG1 GLN 471.A O no hydrogen 2.695 N/A ALA 476.A N TRP 473.A O no hydrogen 3.335 N/A LYS 477.A N ASP 480.A OD1 no hydrogen 2.801 N/A ASP 480.A N LYS 477.A O no hydrogen 2.788 N/A LEU 481.A N GLU 478.A O no hydrogen 3.360 N/A SER 483.A N ASP 480.A O no hydrogen 3.092 N/A ASN 485.A N ASP 488.A OD2 no hydrogen 3.118 N/A THR 487.A N ASN 485.A OD1 no hydrogen 2.790 N/A THR 487.A OG1 ASN 485.A OD1 no hydrogen 3.222 N/A ASP 488.A N ASN 485.A O no hydrogen 2.806 N/A LEU 489.A N ALA 486.A O no hydrogen 3.103 N/A LYS 490.A N THR 487.A O no hydrogen 3.192 N/A LEU 492.A N LEU 489.A O no hydrogen 2.994 N/A SER 493.A N GLN 496.A OE1 no hydrogen 3.009 N/A SER 493.A OG GLN 496.A OE1 no hydrogen 3.437 N/A HIS 495.A NE2 SER 286.A O no hydrogen 2.960 N/A GLN 496.A N SER 493.A OG no hydrogen 3.174 N/A GLN 496.A NE2 LEU 462.A O no hydrogen 2.823 N/A LEU 497.A N SER 493.A O no hydrogen 2.957 N/A ASN 498.A N SER 494.A O no hydrogen 2.991 N/A GLU 499.A N HIS 495.A O no hydrogen 3.152 N/A PHE 500.A N GLN 496.A O no hydrogen 2.773 N/A LEU 501.A N LEU 497.A O no hydrogen 3.035 N/A ALA 502.A N ASN 498.A O no hydrogen 2.902 N/A GLN 503.A N GLU 499.A O no hydrogen 2.932 N/A GLN 503.A NE2 GLU 499.A OE2 no hydrogen 2.983 N/A THR 504.A N PHE 500.A O no hydrogen 2.999 N/A THR 504.A OG1 PHE 500.A O no hydrogen 2.934 N/A LEU 505.A N LEU 501.A O no hydrogen 2.767 N/A GLN 506.A N ALA 502.A O no hydrogen 3.177 N/A GLN 506.A NE2 ASN 349.A OD1 no hydrogen 2.932 N/A ARG 507.A N THR 504.A O no hydrogen 2.994 N/A ALA 508.A N LEU 505.A O no hydrogen 3.098 N/A LEU 510.A N SER 543.A OG no hydrogen 3.103 N/A HIS 514.A NE2 ALA 476.A O no hydrogen 3.025 N/A ILE 515.A N PRO 511.A O no hydrogen 3.332 N/A LYS 516.A N LEU 512.A O no hydrogen 2.999 N/A ARG 517.A N GLY 513.A O no hydrogen 3.017 N/A ARG 517.A NE LEU 481.A O no hydrogen 2.694 N/A ARG 517.A NH1 GLU 520.A OE1 no hydrogen 3.032 N/A ARG 517.A NH2 LEU 481.A O no hydrogen 3.351 N/A ARG 517.A NH2 ASN 482.A O no hydrogen 3.332 N/A MET 518.A N HIS 514.A O no hydrogen 2.876 N/A GLN 519.A N ILE 515.A O no hydrogen 3.226 N/A GLU 520.A N LYS 516.A O no hydrogen 3.064 N/A VAL 521.A N ARG 517.A O no hydrogen 2.806 N/A TYR 522.A N MET 518.A O no hydrogen 2.820 N/A TYR 522.A OH ASP 488.A OD2 no hydrogen 2.640 N/A ASN 523.A N GLN 519.A O no hydrogen 2.873 N/A ASN 523.A ND2 GLN 519.A OE1 no hydrogen 2.964 N/A ALA 526.A N ASN 523.A O no hydrogen 3.263 N/A ILE 527.A N PHE 524.A O no hydrogen 3.140 N/A SER 530.A OG THR 279.A O no hydrogen 2.858 N/A ILE 532.A N ASN 529.A OD1 no hydrogen 3.184 N/A ARG 533.A N ASN 529.A O no hydrogen 2.886 N/A ARG 533.A NH1 ASN 525.A O no hydrogen 2.803 N/A ARG 533.A NH1 ILE 527.A O no hydrogen 3.480 N/A PHE 534.A N SER 530.A O no hydrogen 2.916 N/A ARG 535.A N GLU 531.A O no hydrogen 3.265 N/A ARG 535.A NH1 ASN 498.A OD1 no hydrogen 2.941 N/A ARG 535.A NH1 GLU 531.A O no hydrogen 3.370 N/A ARG 535.A NH1 GLU 531.A OE1 no hydrogen 2.831 N/A TRP 536.A N ILE 532.A O no hydrogen 2.928 N/A LEU 537.A N ARG 533.A O no hydrogen 2.890 N/A ARG 538.A N PHE 534.A O no hydrogen 3.014 N/A ARG 538.A NE ASP 571.A OD2 no hydrogen 2.776 N/A ARG 538.A NH2 ASP 571.A OD1 no hydrogen 3.172 N/A LEU 539.A N ARG 535.A O no hydrogen 2.974 N/A CYS 540.A N TRP 536.A O no hydrogen 2.938 N/A CYS 540.A SG TRP 536.A O no hydrogen 3.334 N/A ILE 541.A N LEU 537.A O no hydrogen 2.920 N/A GLN 542.A N ARG 538.A O no hydrogen 2.941 N/A SER 543.A N LEU 539.A O no hydrogen 3.081 N/A SER 543.A OG LEU 510.A O no hydrogen 3.464 N/A SER 543.A OG LEU 539.A O no hydrogen 2.753 N/A LYS 544.A N ILE 541.A O no hydrogen 2.914 N/A TRP 545.A N CYS 540.A O no hydrogen 3.018 N/A TRP 545.A NE1 ASP 547.A OD2 no hydrogen 2.829 N/A ALA 548.A N TRP 545.A O no hydrogen 3.084 N/A ILE 549.A N GLU 546.A O no hydrogen 2.973 N/A ALA 552.A N ALA 548.A O no hydrogen 2.976 N/A LEU 553.A N ILE 549.A O no hydrogen 2.979 N/A LYS 554.A N PRO 550.A O no hydrogen 3.003 N/A LYS 554.A NZ GLU 558.A OE1 no hydrogen 2.754 N/A MET 555.A N LEU 551.A O no hydrogen 3.069 N/A ALA 556.A N ALA 552.A O no hydrogen 2.957 N/A THR 557.A N LEU 553.A O no hydrogen 3.223 N/A THR 557.A N LYS 554.A O no hydrogen 3.348 N/A THR 557.A OG1 LEU 553.A O no hydrogen 2.884 N/A THR 557.A OG1 LYS 554.A O no hydrogen 3.381 N/A GLU 558.A N LYS 554.A O no hydrogen 2.887 N/A GLY 560.A N PRO 261.A O no hydrogen 2.736 N/A ARG 561.A NH1 THR 279.A OG1 no hydrogen 3.276 N/A MET 562.A N PRO 264.A O no hydrogen 2.874 N/A LYS 563.A NZ GLU 531.A OE1 no hydrogen 3.122 N/A LYS 563.A NZ GLU 531.A OE2 no hydrogen 2.710 N/A PHE 564.A N ARG 561.A O no hydrogen 2.936 N/A THR 565.A N ARG 561.A O no hydrogen 2.868 N/A THR 565.A OG1 ALA 556.A O no hydrogen 3.156 N/A THR 565.A OG1 GLN 559.A O no hydrogen 3.130 N/A THR 565.A OG1 GLN 559.A OE1 no hydrogen 2.922 N/A THR 565.A OG1 ARG 561.A O no hydrogen 3.455 N/A ARG 566.A N MET 562.A O no hydrogen 3.133 N/A ARG 566.A NE ASP 604.A OD2 no hydrogen 2.787 N/A ARG 566.A NH2 ASP 604.A OD1 no hydrogen 2.929 N/A ARG 566.A NH2 ASP 604.A OD2 no hydrogen 3.417 N/A LEU 568.A N PHE 564.A O no hydrogen 3.192 N/A PHE 569.A N THR 565.A O no hydrogen 3.101 N/A LYS 570.A N ARG 566.A O no hydrogen 3.011 N/A ASP 571.A N PRO 567.A O no hydrogen 2.836 N/A LEU 572.A N LEU 568.A O no hydrogen 2.953 N/A ALA 573.A N PHE 569.A O no hydrogen 2.979 N/A ALA 574.A N LYS 570.A O no hydrogen 3.168 N/A PHE 575.A N ASP 571.A O no hydrogen 3.080 N/A SER 578.A N PHE 575.A O no hydrogen 2.984 N/A SER 578.A OG LEU 572.A O no hydrogen 2.719 N/A SER 578.A OG PHE 575.A O no hydrogen 3.359 N/A HIS 579.A ND1 ASP 580.A OD1 no hydrogen 3.132 N/A ALA 582.A N SER 578.A O no hydrogen 2.855 N/A VAL 583.A N HIS 579.A O no hydrogen 3.051 N/A ARG 584.A N ASP 580.A O no hydrogen 2.945 N/A THR 585.A N GLN 581.A O no hydrogen 2.755 N/A THR 585.A OG1 GLN 581.A O no hydrogen 2.580 N/A TYR 586.A N ALA 582.A O no hydrogen 3.053 N/A TYR 586.A OH ALA 598.A O no hydrogen 2.786 N/A GLN 587.A N VAL 583.A O no hydrogen 3.011 N/A GLU 588.A N ARG 584.A O no hydrogen 3.064 N/A HIS 589.A N TYR 586.A O no hydrogen 2.940 N/A HIS 589.A ND1 THR 585.A O no hydrogen 2.944 N/A LYS 590.A N TYR 586.A O no hydrogen 2.866 N/A LYS 590.A NZ GLN 587.A OE1 no hydrogen 3.135 N/A SER 592.A N HIS 589.A O no hydrogen 2.835 N/A SER 592.A OG HIS 589.A O no hydrogen 2.892 N/A MET 593.A N LYS 590.A O no hydrogen 3.223 N/A ALA 598.A N HIS 594.A O no hydrogen 2.845 N/A MET 599.A N PRO 595.A O no hydrogen 3.147 N/A LEU 600.A N VAL 596.A O no hydrogen 2.960 N/A VAL 601.A N THR 597.A O no hydrogen 2.964 N/A GLY 602.A N ALA 598.A O no hydrogen 3.101 N/A LYS 603.A N MET 599.A O no hydrogen 3.065 N/A ASP 604.A N LEU 600.A O no hydrogen 2.845 N/A LEU 605.A N VAL 601.A O no hydrogen 2.691 N/A LYS 606.A N LYS 603.A O no hydrogen 2.992 N/A VAL 607.A N GLY 602.A O no hydrogen 2.952 N/A