Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N HIS 2.A O no hydrogen 3.128 N/A GLN 6.A N GLU 3.A O no hydrogen 3.266 N/A GLN 6.A NE2 GLU 35.A OE2 no hydrogen 3.327 N/A SER 9.A N SER 7.A OG no hydrogen 3.052 N/A PHE 10.A N THR 13.A OG1 no hydrogen 2.893 N/A HIS 12.A NE2 ASN 38.A OD1 no hydrogen 2.783 N/A THR 13.A N PHE 10.A O no hydrogen 3.075 N/A THR 13.A OG1 PHE 10.A O no hydrogen 3.061 N/A MET 16.A N HIS 12.A O no hydrogen 3.072 N/A MET 17.A N THR 13.A O no hydrogen 2.815 N/A LYS 18.A N LYS 14.A O no hydrogen 3.165 N/A ILE 19.A N GLU 15.A O no hydrogen 3.130 N/A PHE 20.A N MET 16.A O no hydrogen 2.930 N/A HIS 21.A N MET 17.A O no hydrogen 3.018 N/A HIS 21.A ND1 LEU 26.A O no hydrogen 3.123 N/A LYS 22.A N LYS 18.A O no hydrogen 2.819 N/A LYS 23.A N ILE 19.A O no hydrogen 2.866 N/A LYS 23.A NZ LEU 91.A O no hydrogen 3.457 N/A LYS 23.A NZ ASP 92.A O no hydrogen 2.802 N/A LYS 23.A NZ ASP 591.A OD2 no hydrogen 3.254 N/A PHE 24.A N ILE 19.A O no hydrogen 3.271 N/A LEU 26.A N PHE 20.A O no hydrogen 3.117 N/A ARG 30.A N GLN 33.A OE1 no hydrogen 2.914 N/A ARG 30.A NH1 GLY 54.A O no hydrogen 3.201 N/A ASN 32.A ND2 SER 206.A O no hydrogen 3.037 N/A GLN 33.A N ARG 30.A O no hydrogen 3.194 N/A GLN 33.A NE2 GLY 55.A O no hydrogen 2.820 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.751 N/A ALA 36.A N ASN 32.A O no hydrogen 3.095 N/A ILE 37.A N GLN 33.A O no hydrogen 2.936 N/A ASN 38.A N LEU 34.A O no hydrogen 2.920 N/A ASN 38.A ND2 PHE 5.A O no hydrogen 2.654 N/A ASN 38.A ND2 SER 7.A O no hydrogen 3.169 N/A ALA 39.A N GLU 35.A O no hydrogen 2.838 N/A ALA 40.A N ALA 36.A O no hydrogen 2.906 N/A LEU 41.A N ILE 37.A O no hydrogen 2.920 N/A LEU 42.A N ASN 38.A O no hydrogen 3.046 N/A LEU 42.A N ALA 39.A O no hydrogen 2.993 N/A GLY 43.A N ALA 40.A O no hydrogen 3.123 N/A GLU 44.A N ALA 39.A O no hydrogen 3.160 N/A CYS 46.A N VAL 178.A O no hydrogen 2.987 N/A CYS 46.A SG GLU 44.A O no hydrogen 3.768 N/A PHE 47.A N GLN 203.A O no hydrogen 2.805 N/A ILE 48.A N ALA 180.A O no hydrogen 2.758 N/A LEU 49.A N PHE 205.A O no hydrogen 2.846 N/A MET 50.A N THR 182.A O no hydrogen 3.306 N/A GLY 54.A N PRO 51.A O no hydrogen 2.844 N/A LYS 56.A NZ MET 50.A O no hydrogen 3.231 N/A LYS 56.A NZ PRO 51.A O no hydrogen 3.376 N/A CYS 59.A N LYS 56.A O no hydrogen 3.242 N/A CYS 59.A SG GLY 55.A O no hydrogen 3.753 N/A TYR 60.A N SER 57.A O no hydrogen 3.317 N/A TYR 60.A OH TYR 125.A OH no hydrogen 2.780 N/A TYR 60.A OH ASP 156.A OD2 no hydrogen 2.711 N/A GLN 61.A N SER 57.A O no hydrogen 2.996 N/A GLN 61.A NE2 GLN 84.A OE1 no hydrogen 3.022 N/A GLN 61.A NE2 TYR 125.A OH no hydrogen 3.104 N/A LEU 62.A N LEU 58.A O no hydrogen 3.001 N/A ALA 64.A N TYR 60.A O no hydrogen 3.029 N/A CYS 65.A N GLN 61.A O no hydrogen 3.233 N/A CYS 65.A N LEU 62.A O no hydrogen 3.044 N/A CYS 65.A SG GLN 61.A O no hydrogen 3.364 N/A VAL 66.A N LEU 62.A O no hydrogen 3.316 N/A SER 67.A N PRO 63.A O no hydrogen 2.827 N/A SER 67.A OG PRO 63.A O no hydrogen 2.966 N/A VAL 70.A N LEU 149.A O no hydrogen 2.813 N/A THR 71.A N LYS 122.A O no hydrogen 2.978 N/A VAL 72.A N ARG 152.A O no hydrogen 2.984 N/A VAL 73.A N LEU 124.A O no hydrogen 2.787 N/A ILE 74.A N VAL 154.A O no hydrogen 2.743 N/A SER 75.A N VAL 126.A O no hydrogen 2.917 N/A ARG 78.A NH1 GLU 129.A OE2 no hydrogen 3.302 N/A SER 79.A OG GLY 304.A O no hydrogen 2.675 N/A ILE 81.A N LEU 77.A O no hydrogen 3.214 N/A VAL 82.A N ARG 78.A O no hydrogen 2.918 N/A ASP 83.A N SER 79.A O no hydrogen 3.113 N/A GLN 84.A N LEU 80.A O no hydrogen 3.109 N/A VAL 85.A N ILE 81.A O no hydrogen 3.078 N/A GLN 86.A N VAL 82.A O no hydrogen 3.012 N/A LYS 87.A N ASP 83.A O no hydrogen 3.151 N/A LYS 87.A NZ ASP 83.A OD2 no hydrogen 2.757 N/A LYS 87.A NZ ASN 561.A OD1 no hydrogen 2.779 N/A LEU 88.A N GLN 84.A O no hydrogen 3.107 N/A THR 89.A N VAL 85.A O no hydrogen 2.815 N/A THR 89.A OG1 VAL 85.A O no hydrogen 2.802 N/A SER 90.A N GLN 86.A O no hydrogen 3.041 N/A SER 90.A OG ASN 561.A O no hydrogen 2.715 N/A SER 90.A OG TYR 596.A OH no hydrogen 2.738 N/A LEU 91.A N LYS 87.A O no hydrogen 3.309 N/A ASP 92.A N THR 89.A O no hydrogen 2.812 N/A ILE 93.A N LEU 88.A O no hydrogen 2.795 N/A THR 96.A N LEU 123.A O no hydrogen 3.068 N/A TYR 97.A N THR 96.A OG1 no hydrogen 2.812 N/A LEU 98.A N TYR 125.A O no hydrogen 2.996 N/A ASP 101.A N THR 99.A OG1 no hydrogen 3.384 N/A LYS 102.A NZ GLU 106.A OE2 no hydrogen 2.801 N/A ALA 107.A N THR 103.A O no hydrogen 2.815 N/A THR 108.A N ASP 104.A O no hydrogen 3.137 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.719 N/A ASN 109.A N SER 105.A O no hydrogen 3.091 N/A ILE 110.A N GLU 106.A O no hydrogen 3.156 N/A TYR 111.A N ALA 107.A O no hydrogen 3.056 N/A LEU 112.A N THR 108.A O no hydrogen 2.901 N/A GLN 113.A N ASN 109.A O no hydrogen 3.042 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 3.010 N/A GLN 113.A NE2 PRO 119.A O no hydrogen 3.113 N/A LEU 114.A N ILE 110.A O no hydrogen 2.927 N/A SER 115.A N TYR 111.A O no hydrogen 3.156 N/A SER 115.A OG TYR 111.A O no hydrogen 3.224 N/A SER 115.A OG LEU 112.A O no hydrogen 2.884 N/A LYS 116.A N GLN 113.A O no hydrogen 3.394 N/A LYS 116.A NZ GLN 113.A OE1 no hydrogen 3.522 N/A ILE 120.A N ASP 118.A OD1 no hydrogen 3.376 N/A ILE 121.A N PRO 119.A O no hydrogen 2.715 N/A LYS 122.A N PRO 94.A O no hydrogen 2.869 N/A LYS 122.A NZ SER 67.A O no hydrogen 2.751 N/A LYS 122.A NZ GLY 69.A O no hydrogen 2.895 N/A LEU 123.A N PRO 94.A O no hydrogen 3.349 N/A LEU 124.A N THR 71.A O no hydrogen 2.926 N/A TYR 125.A N THR 96.A O no hydrogen 2.935 N/A TYR 125.A OH TYR 60.A OH no hydrogen 2.780 N/A VAL 126.A N VAL 73.A O no hydrogen 2.732 N/A THR 127.A OG1 SER 75.A O no hydrogen 3.495 N/A LYS 130.A N THR 127.A O no hydrogen 2.992 N/A ILE 131.A N PRO 128.A O no hydrogen 3.272 N/A CYS 132.A SG GLU 129.A O no hydrogen 3.168 N/A ALA 133.A N GLU 129.A O no hydrogen 3.161 N/A SER 134.A N LYS 130.A O no hydrogen 3.281 N/A SER 134.A OG TYR 111.A OH no hydrogen 2.996 N/A LEU 137.A N SER 134.A OG no hydrogen 3.311 N/A ILE 138.A N SER 134.A O no hydrogen 3.277 N/A SER 139.A N ASN 135.A O no hydrogen 2.876 N/A SER 139.A OG ASN 135.A O no hydrogen 3.023 N/A THR 140.A N ARG 136.A O no hydrogen 3.224 N/A THR 140.A OG1 ARG 136.A O no hydrogen 2.894 N/A LEU 141.A N LEU 137.A O no hydrogen 2.870 N/A GLU 142.A N ILE 138.A O no hydrogen 2.816 N/A ASN 143.A N SER 139.A O no hydrogen 3.185 N/A LEU 144.A N THR 140.A O no hydrogen 2.981 N/A TYR 145.A N LEU 141.A O no hydrogen 2.798 N/A TYR 145.A OH SER 175.A OG no hydrogen 2.737 N/A GLU 146.A N GLU 142.A O no hydrogen 3.072 N/A ARG 147.A N ASN 143.A O no hydrogen 3.330 N/A ARG 147.A N LEU 144.A O no hydrogen 3.277 N/A ARG 147.A NH1 ASN 143.A OD1 no hydrogen 2.754 N/A ARG 147.A NH2 LYS 116.A O no hydrogen 2.702 N/A ARG 147.A NH2 LYS 117.A O no hydrogen 3.241 N/A LYS 148.A N TYR 145.A O no hydrogen 3.125 N/A LEU 149.A N LEU 144.A O no hydrogen 2.783 N/A ALA 151.A N VAL 70.A O no hydrogen 3.021 N/A ARG 152.A NH1 ALA 40.A O no hydrogen 2.850 N/A ARG 152.A NH2 ALA 40.A O no hydrogen 2.929 N/A PHE 153.A N PRO 177.A O no hydrogen 2.922 N/A VAL 154.A N VAL 72.A O no hydrogen 2.803 N/A ILE 155.A N MET 179.A O no hydrogen 2.895 N/A ASP 156.A N ILE 74.A O no hydrogen 3.173 N/A ALA 158.A N LEU 181.A O no hydrogen 2.851 N/A HIS 159.A N GLU 157.A OE2 no hydrogen 3.373 N/A TYR 163.A OH ALA 158.A O no hydrogen 2.664 N/A MET 166.A N ASP 162.A O no hydrogen 3.052 N/A ASN 167.A N TYR 163.A O no hydrogen 3.079 N/A MET 168.A N LYS 164.A O no hydrogen 3.075 N/A LEU 169.A N ARG 165.A O no hydrogen 3.350 N/A ARG 170.A N MET 166.A O no hydrogen 3.384 N/A ARG 170.A NH1.A LEU 197.A O no hydrogen 2.800 N/A ARG 170.A NH1.B ASP 45.A OD2 no hydrogen 2.710 N/A ARG 170.A NH2.A LEU 197.A O no hydrogen 2.785 N/A ARG 170.A NH2.B ASP 45.A OD1 no hydrogen 3.305 N/A ARG 170.A NH2.B ASP 45.A OD2 no hydrogen 3.272 N/A ARG 170.A NH2.B VAL 176.A O no hydrogen 3.128 N/A GLN 171.A N ASN 167.A O no hydrogen 3.082 N/A LYS 172.A N MET 168.A O no hydrogen 2.938 N/A PHE 173.A N LEU 169.A O no hydrogen 2.809 N/A SER 175.A N TYR 145.A OH no hydrogen 3.196 N/A SER 175.A OG TYR 145.A OH no hydrogen 2.737 N/A VAL 176.A N PHE 173.A O no hydrogen 3.458 N/A VAL 178.A N ASP 45.A OD1 no hydrogen 2.892 N/A MET 179.A N PHE 153.A O no hydrogen 2.902 N/A ALA 180.A N CYS 46.A O no hydrogen 2.860 N/A LEU 181.A N ILE 155.A O no hydrogen 2.922 N/A THR 182.A N ILE 48.A O no hydrogen 2.989 N/A THR 182.A OG1 GLU 157.A OE2 no hydrogen 2.704 N/A GLN 190.A N ASN 186.A O no hydrogen 2.964 N/A GLN 190.A NE2 THR 184.A O no hydrogen 2.724 N/A LYS 191.A N PRO 187.A O no hydrogen 3.297 N/A LYS 191.A NZ PRO 187.A O no hydrogen 3.417 N/A ASP 192.A N ARG 188.A O no hydrogen 3.078 N/A ILE 193.A N VAL 189.A O no hydrogen 2.932 N/A LEU 194.A N GLN 190.A O no hydrogen 3.220 N/A THR 195.A N LYS 191.A O no hydrogen 2.943 N/A THR 195.A OG1 LYS 191.A O no hydrogen 3.344 N/A THR 195.A OG1 ASP 192.A O no hydrogen 3.338 N/A GLN 196.A N ASP 192.A O no hydrogen 2.950 N/A LEU 197.A N ILE 193.A O no hydrogen 3.069 N/A LYS 198.A N THR 195.A O no hydrogen 3.187 N/A GLN 203.A N ASP 45.A O no hydrogen 2.789 N/A GLN 203.A NE2 GLU 44.A OE2 no hydrogen 3.123 N/A PHE 205.A N PHE 47.A O no hydrogen 2.866 N/A SER 208.A OG GLU 396.A OE2 no hydrogen 2.727 N/A PHE 209.A N GLU 396.A OE1 no hydrogen 3.055 N/A ASN 210.A N SER 208.A OG no hydrogen 3.396 N/A ARG 211.A NH1 ALA 332.A O no hydrogen 2.817 N/A ARG 211.A NH1 GLY 333.A O no hydrogen 3.088 N/A ARG 211.A NH2 GLY 330.A O no hydrogen 2.798 N/A ASN 213.A ND2 GLY 333.A O no hydrogen 2.797 N/A ASN 213.A ND2 GLU 337.A O no hydrogen 2.776 N/A LEU 214.A N ARG 211.A O no hydrogen 3.164 N/A LYS 215.A N SER 339.A O no hydrogen 2.981 N/A TYR 217.A N CYS 341.A O no hydrogen 2.794 N/A VAL 218.A N ASP 413.A OD2 no hydrogen 2.776 N/A LEU 219.A N LEU 343.A O no hydrogen 2.860 N/A LYS 221.A N TYR 345.A O no hydrogen 2.821 N/A LYS 221.A NZ ALA 316.A O no hydrogen 2.782 N/A LYS 221.A NZ ASP 349.A OD2 no hydrogen 2.800 N/A LYS 225.A N LYS 222.A O no hydrogen 2.923 N/A ASP 229.A N LYS 225.A O no hydrogen 2.969 N/A CYS 230.A N VAL 226.A O no hydrogen 2.853 N/A CYS 230.A SG VAL 226.A O no hydrogen 3.340 N/A LEU 231.A N ALA 227.A O no hydrogen 2.961 N/A GLU 232.A N PHE 228.A O no hydrogen 2.969 N/A TRP 233.A N ASP 229.A O no hydrogen 3.098 N/A ILE 234.A N CYS 230.A O no hydrogen 2.849 N/A ARG 235.A N LEU 231.A O no hydrogen 3.056 N/A LYS 236.A N GLU 232.A O no hydrogen 2.983 N/A HIS 237.A N TRP 233.A O no hydrogen 2.882 N/A HIS 237.A ND1 TRP 233.A O no hydrogen 3.154 N/A HIS 238.A N ILE 234.A O no hydrogen 2.772 N/A HIS 238.A ND1 ASP 241.A OD2 no hydrogen 3.102 N/A ASP 241.A N HIS 238.A O no hydrogen 3.321 N/A GLY 243.A N GLN 293.A O no hydrogen 3.091 N/A ILE 244.A N PHE 312.A O no hydrogen 3.012 N/A ILE 245.A N ILE 295.A O no hydrogen 2.741 N/A TYR 246.A N ILE 314.A O no hydrogen 2.680 N/A TYR 246.A OH PHE 301.A O no hydrogen 3.397 N/A CYS 247.A N ALA 297.A O no hydrogen 2.716 N/A CYS 247.A SG ILE 245.A O no hydrogen 3.775 N/A SER 249.A OG GLU 252.A OE2 no hydrogen 3.453 N/A GLU 252.A N SER 249.A OG no hydrogen 3.215 N/A CYS 253.A N SER 249.A O no hydrogen 3.162 N/A CYS 253.A SG SER 249.A O no hydrogen 3.410 N/A CYS 253.A SG CYS 296.A O no hydrogen 3.651 N/A ASP 254.A N ARG 250.A O no hydrogen 3.157 N/A THR 255.A N ARG 251.A O no hydrogen 2.925 N/A THR 255.A OG1 ARG 251.A O no hydrogen 3.271 N/A MET 256.A N GLU 252.A O no hydrogen 2.859 N/A ALA 257.A N CYS 253.A O no hydrogen 2.838 N/A ASP 258.A N ASP 254.A O no hydrogen 2.867 N/A THR 259.A N THR 255.A O no hydrogen 2.938 N/A THR 259.A OG1 THR 255.A O no hydrogen 2.895 N/A LEU 260.A N MET 256.A O no hydrogen 3.077 N/A GLN 261.A N ALA 257.A O no hydrogen 2.932 N/A GLN 261.A NE2 ALA 267.A O no hydrogen 2.766 N/A ARG 262.A N ASP 258.A O no hydrogen 2.983 N/A ARG 262.A NH2 ASP 258.A OD1 no hydrogen 2.816 N/A ASP 263.A N LEU 260.A O no hydrogen 3.123 N/A GLY 264.A N GLN 261.A O no hydrogen 2.992 N/A LEU 265.A N LEU 260.A O no hydrogen 2.970 N/A LEU 268.A N VAL 294.A O no hydrogen 2.990 N/A TYR 270.A N CYS 296.A O no hydrogen 2.755 N/A HIS 271.A NE2 ASP 254.A OD1 no hydrogen 2.996 N/A GLY 273.A N HIS 271.A ND1 no hydrogen 3.235 N/A LEU 274.A N HIS 271.A O no hydrogen 3.239 N/A SER 275.A OG SER 277.A OG no hydrogen 3.235 N/A SER 277.A OG SER 275.A OG no hydrogen 3.235 N/A ALA 278.A N SER 275.A OG no hydrogen 3.060 N/A ARG 279.A N SER 275.A O no hydrogen 2.936 N/A ASP 280.A N ASP 276.A O no hydrogen 3.037 N/A GLU 281.A N SER 277.A O no hydrogen 2.862 N/A VAL 282.A N ALA 278.A O no hydrogen 2.976 N/A GLN 283.A N ARG 279.A O no hydrogen 3.045 N/A GLN 284.A N ASP 280.A O no hydrogen 3.117 N/A GLN 284.A NE2 HIS 558.A NE2 no hydrogen 3.611 N/A LYS 285.A N GLU 281.A O no hydrogen 3.067 N/A LYS 285.A NZ ASP 290.A O no hydrogen 3.523 N/A TRP 286.A N VAL 282.A O no hydrogen 2.957 N/A TRP 286.A NE1 GLY 243.A O no hydrogen 2.948 N/A ILE 287.A N GLN 283.A O no hydrogen 2.859 N/A ASN 288.A N GLN 284.A O no hydrogen 3.123 N/A ASN 288.A ND2 GLN 284.A O no hydrogen 2.828 N/A GLN 289.A N TRP 286.A O no hydrogen 3.403 N/A GLN 289.A NE2 SER 242.A OG no hydrogen 2.798 N/A ASP 290.A N LYS 285.A O no hydrogen 2.799 N/A CYS 292.A SG VAL 294.A O no hydrogen 3.525 N/A GLN 293.A N ALA 266.A O no hydrogen 2.771 N/A GLN 293.A NE2 ASP 241.A O no hydrogen 2.746 N/A VAL 294.A N ALA 266.A O no hydrogen 3.044 N/A ILE 295.A N GLY 243.A O no hydrogen 3.120 N/A CYS 296.A N LEU 268.A O no hydrogen 2.857 N/A ALA 297.A N ILE 245.A O no hydrogen 2.801 N/A THR 298.A N TYR 270.A O no hydrogen 3.172 N/A ALA 300.A N THR 298.A OG1 no hydrogen 3.344 N/A PHE 301.A N THR 298.A O no hydrogen 3.271 N/A ILE 305.A N GLY 302.A O no hydrogen 3.056 N/A LYS 307.A NZ ILE 287.A O no hydrogen 2.974 N/A LYS 307.A NZ ASP 309.A OD1 no hydrogen 2.818 N/A ARG 311.A N SER 242.A O no hydrogen 2.943 N/A ARG 311.A NH1 ASP 335.A OD1 no hydrogen 3.176 N/A ARG 311.A NH1 ASP 335.A OD2 no hydrogen 2.711 N/A ARG 311.A NH2 ASP 335.A OD1 no hydrogen 3.146 N/A ARG 311.A NH2 SER 339.A OG no hydrogen 3.050 N/A VAL 313.A N HIS 340.A O no hydrogen 3.008 N/A ILE 314.A N ILE 244.A O no hydrogen 2.832 N/A HIS 315.A N LEU 342.A O no hydrogen 2.802 N/A HIS 315.A NE2 GLU 328.A OE2 no hydrogen 2.739 N/A ALA 316.A N TYR 246.A O no hydrogen 2.810 N/A SER 317.A OG ASP 349.A OD2 no hydrogen 3.231 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.868 N/A GLY 324.A N SER 321.A OG no hydrogen 3.146 N/A TYR 325.A N SER 321.A O no hydrogen 3.039 N/A TYR 326.A N VAL 322.A O no hydrogen 2.790 N/A GLN 327.A N GLU 323.A O no hydrogen 2.951 N/A GLU 328.A N GLY 324.A O no hydrogen 2.864 N/A SER 329.A N TYR 325.A O no hydrogen 2.830 N/A SER 329.A OG TYR 325.A O no hydrogen 2.754 N/A GLY 330.A N TYR 326.A O no hydrogen 3.015 N/A ARG 331.A N GLU 328.A O no hydrogen 3.261 N/A ALA 332.A N SER 329.A O no hydrogen 3.114 N/A GLY 333.A N VAL 310.A O no hydrogen 2.838 N/A ARG 334.A NE GLY 330.A O no hydrogen 3.311 N/A ARG 334.A NH2 GLY 330.A O no hydrogen 3.489 N/A ASP 335.A N PRO 308.A O no hydrogen 3.209 N/A GLY 336.A N GLY 333.A O no hydrogen 3.245 N/A GLU 337.A N ASP 335.A OD1 no hydrogen 3.148 N/A SER 339.A N ASN 213.A O no hydrogen 3.077 N/A SER 339.A OG VAL 310.A O no hydrogen 3.289 N/A SER 339.A OG GLU 337.A O no hydrogen 3.103 N/A HIS 340.A N ARG 311.A O no hydrogen 2.882 N/A CYS 341.A N LYS 215.A O no hydrogen 2.794 N/A CYS 341.A SG SER 329.A O no hydrogen 3.557 N/A LEU 342.A N VAL 313.A O no hydrogen 3.012 N/A LEU 343.A N TYR 217.A O no hydrogen 3.027 N/A PHE 344.A N HIS 315.A O no hydrogen 2.800 N/A TYR 345.A N LEU 219.A O no hydrogen 2.850 N/A TYR 345.A OH GLU 380.A OE1 no hydrogen 2.609 N/A TYR 347.A OH GLU 491.A OE1 no hydrogen 3.041 N/A ASP 349.A N THR 346.A O no hydrogen 3.038 N/A VAL 350.A N TYR 347.A O no hydrogen 2.969 N/A THR 351.A OG1 HIS 348.A O no hydrogen 3.349 N/A ARG 352.A N HIS 348.A O no hydrogen 3.284 N/A ARG 352.A NH1 GLU 252.A OE1 no hydrogen 3.202 N/A ARG 352.A NH1 GLU 252.A OE2 no hydrogen 3.103 N/A ARG 352.A NH1 ASP 349.A OD1 no hydrogen 3.185 N/A ARG 352.A NH2 GLU 252.A OE2 no hydrogen 2.798 N/A LEU 353.A N ASP 349.A O no hydrogen 2.962 N/A LYS 354.A N VAL 350.A O no hydrogen 2.853 N/A LYS 354.A NZ GLU 491.A OE1 no hydrogen 3.087 N/A ARG 355.A N THR 351.A O no hydrogen 3.078 N/A ARG 355.A NH1 ASP 499.A O no hydrogen 2.863 N/A ARG 355.A NH2 ASP 499.A O no hydrogen 3.495 N/A LEU 356.A N ARG 352.A O no hydrogen 3.356 N/A ILE 357.A N LEU 353.A O no hydrogen 3.101 N/A MET 358.A N LYS 354.A O no hydrogen 3.145 N/A MET 359.A N LEU 356.A O no hydrogen 3.388 N/A GLU 360.A N ILE 357.A O no hydrogen 3.400 N/A ARG 365.A NH1 GLU 360.A O no hydrogen 3.296 N/A THR 367.A N HIS 363.A O no hydrogen 3.177 N/A THR 367.A OG1 HIS 363.A O no hydrogen 3.305 N/A HIS 368.A N THR 364.A O no hydrogen 3.299 N/A PHE 369.A N ARG 365.A O no hydrogen 3.093 N/A ASN 370.A N GLU 366.A O no hydrogen 3.041 N/A ASN 371.A N THR 367.A O no hydrogen 2.900 N/A LEU 372.A N HIS 368.A O no hydrogen 2.973 N/A TYR 373.A N PHE 369.A O no hydrogen 2.926 N/A SER 374.A N ASN 370.A O no hydrogen 3.040 N/A SER 374.A OG ASN 370.A O no hydrogen 3.078 N/A MET 375.A N ASN 371.A O no hydrogen 3.273 N/A VAL 376.A N LEU 372.A O no hydrogen 2.911 N/A HIS 377.A N TYR 373.A O no hydrogen 2.990 N/A HIS 377.A ND1.B TYR 373.A O no hydrogen 2.754 N/A TYR 378.A N SER 374.A O no hydrogen 3.300 N/A CYS 379.A N MET 375.A O no hydrogen 3.179 N/A CYS 379.A SG MET 375.A O no hydrogen 3.572 N/A GLU 380.A N VAL 376.A O no hydrogen 2.797 N/A ASN 381.A N HIS 377.A O no hydrogen 2.760 N/A THR 383.A N ASN 381.A OD1 no hydrogen 3.252 N/A GLU 384.A N ASN 381.A OD1 no hydrogen 2.797 N/A ARG 386.A NE ASP 413.A OD1 no hydrogen 2.875 N/A ARG 386.A NH2 TYR 378.A O no hydrogen 2.728 N/A ARG 387.A NH1 ASN 210.A OD1 no hydrogen 3.151 N/A ARG 387.A NH1 ARG 211.A O no hydrogen 2.697 N/A ARG 387.A NH2 VAL 410.A O no hydrogen 2.858 N/A GLN 389.A N CYS 385.A O no hydrogen 2.913 N/A GLN 389.A NE2 ASN 381.A O no hydrogen 3.290 N/A GLN 389.A NE2 GLU 384.A O no hydrogen 3.025 N/A LEU 390.A N ARG 386.A O no hydrogen 3.168 N/A LEU 391.A N ARG 387.A O no hydrogen 2.981 N/A ALA 392.A N ILE 388.A O no hydrogen 2.779 N/A TYR 393.A N GLN 389.A O no hydrogen 3.057 N/A TYR 393.A OH GLU 323.A OE1 no hydrogen 2.791 N/A PHE 394.A N LEU 390.A O no hydrogen 3.328 N/A PHE 394.A N LEU 391.A O no hydrogen 3.115 N/A GLY 395.A N ALA 392.A O no hydrogen 3.129 N/A GLU 396.A N LEU 391.A O no hydrogen 2.857 N/A PHE 403.A N ASN 400.A O no hydrogen 3.261 N/A CYS 404.A SG VAL 410.A O no hydrogen 3.985 N/A LYS 405.A NZ CYS 415.A O no hydrogen 3.502 N/A LYS 406.A N ASP 402.A O no hydrogen 2.813 N/A HIS 407.A N PHE 403.A O no hydrogen 2.840 N/A VAL 410.A N HIS 407.A O no hydrogen 3.438 N/A SER 411.A N PRO 408.A O no hydrogen 3.381 N/A SER 411.A OG CYS 404.A O no hydrogen 3.431 N/A SER 411.A OG CYS 412.A O no hydrogen 3.172 N/A ASP 413.A N TYR 216.A O no hydrogen 3.141 N/A ASN 414.A ND2 ASN 381.A O no hydrogen 2.834 N/A ASN 414.A ND2 GLU 384.A O no hydrogen 2.719 N/A CYS 416.A N CYS 412.A O no hydrogen 3.392 N/A CYS 416.A SG SER 411.A OG no hydrogen 3.464 N/A CYS 416.A SG CYS 412.A O no hydrogen 3.426 N/A LYS 417.A N ASP 413.A O no hydrogen 2.957 N/A LYS 419.A N GLU 525.A O no hydrogen 3.394 N/A THR 420.A OG1 LYS 419.A O no hydrogen 2.714 N/A ARG 421.A N PHE 523.A O no hydrogen 2.859 N/A THR 424.A N ASP 422.A OD1 no hydrogen 3.474 N/A VAL 427.A N VAL 423.A O no hydrogen 2.939 N/A LYS 428.A N THR 424.A O no hydrogen 2.957 N/A SER 429.A N ASP 425.A O no hydrogen 3.164 N/A SER 429.A OG ASP 425.A O no hydrogen 3.254 N/A ILE 430.A N ASP 426.A O no hydrogen 2.937 N/A VAL 431.A N VAL 427.A O no hydrogen 2.758 N/A ARG 432.A N LYS 428.A O no hydrogen 3.079 N/A PHE 433.A N SER 429.A O no hydrogen 3.035 N/A VAL 434.A N ILE 430.A O no hydrogen 2.822 N/A GLN 435.A N VAL 431.A O no hydrogen 2.934 N/A GLU 436.A N ARG 432.A O no hydrogen 3.339 N/A HIS 437.A N PHE 433.A O no hydrogen 3.205 N/A HIS 437.A N VAL 434.A O no hydrogen 3.198 N/A SER 438.A OG VAL 434.A O no hydrogen 2.953 N/A ARG 442.A N HIS 437.A O no hydrogen 2.974 N/A MET 447.A N THR 444.A OG1 no hydrogen 3.349 N/A LEU 448.A N THR 444.A O no hydrogen 2.952 N/A VAL 449.A N MET 445.A O no hydrogen 2.891 N/A ASP 450.A N ASN 446.A O no hydrogen 3.106 N/A ILE 451.A N MET 447.A O no hydrogen 3.044 N/A PHE 452.A N LEU 448.A O no hydrogen 2.882 N/A LEU 453.A N VAL 449.A O no hydrogen 3.051 N/A GLY 454.A N ILE 451.A O no hydrogen 2.820 N/A SER 455.A N ASP 450.A O no hydrogen 2.816 N/A SER 457.A N SER 455.A OG no hydrogen 3.167 N/A ALA 458.A N SER 455.A O no hydrogen 3.127 N/A PHE 465.A N SER 462.A O no hydrogen 3.330 N/A GLY 466.A N ILE 451.A O no hydrogen 3.042 N/A LYS 467.A N ILE 464.A O no hydrogen 2.793 N/A LYS 467.A NZ SER 429.A OG no hydrogen 2.979 N/A GLY 468.A N PHE 452.A O no hydrogen 2.799 N/A SER 469.A N GLY 466.A O no hydrogen 3.051 N/A TYR 471.A N GLY 468.A O no hydrogen 3.089 N/A TYR 471.A OH ASP 426.A OD2 no hydrogen 2.868 N/A SER 472.A OG ASN 475.A OD1 no hydrogen 2.861 N/A ARG 473.A NH1 ASP 450.A OD1 no hydrogen 2.787 N/A ARG 473.A NH2 GLU 477.A OE2 no hydrogen 3.542 N/A ASN 475.A N SER 472.A OG no hydrogen 3.386 N/A ALA 476.A N SER 472.A O no hydrogen 2.887 N/A GLU 477.A N ARG 473.A O no hydrogen 3.006 N/A ARG 478.A N HIS 474.A O no hydrogen 3.142 N/A ARG 478.A NH1 MET 524.A O no hydrogen 3.062 N/A ARG 478.A NH2 MET 524.A O no hydrogen 3.101 N/A LEU 479.A N ASN 475.A O no hydrogen 2.860 N/A PHE 480.A N ALA 476.A O no hydrogen 3.087 N/A LYS 481.A N GLU 477.A O no hydrogen 3.077 N/A LYS 481.A NZ GLU 380.A OE1 no hydrogen 2.790 N/A LYS 481.A NZ GLU 380.A OE2 no hydrogen 3.490 N/A LYS 482.A N ARG 478.A O no hydrogen 3.001 N/A LYS 482.A NZ ASP 486.A OD2 no hydrogen 3.157 N/A LYS 482.A NZ ASP 522.A O no hydrogen 2.824 N/A LEU 483.A N LEU 479.A O no hydrogen 3.265 N/A ILE 484.A N PHE 480.A O no hydrogen 3.242 N/A LEU 485.A N LYS 481.A O no hydrogen 3.061 N/A ASP 486.A N LYS 482.A O no hydrogen 2.801 N/A LYS 487.A N ILE 484.A O no hydrogen 3.218 N/A ILE 488.A N LEU 483.A O no hydrogen 2.920 N/A LEU 489.A N LEU 483.A O no hydrogen 2.968 N/A ASP 490.A N MET 506.A O no hydrogen 2.947 N/A GLU 491.A N ASP 490.A OD1 no hydrogen 2.879 N/A ASP 492.A N TYR 504.A O no hydrogen 2.863 N/A TYR 494.A N ILE 502.A O no hydrogen 2.813 N/A ASN 496.A N GLN 500.A O no hydrogen 3.144 N/A ASN 498.A N ASN 496.A OD1 no hydrogen 2.803 N/A ASP 499.A N ASN 496.A O no hydrogen 3.423 N/A GLN 500.A N ASN 496.A OD1 no hydrogen 3.094 N/A ILE 502.A N TYR 494.A O no hydrogen 2.825 N/A TYR 504.A N ASP 492.A O no hydrogen 3.100 N/A VAL 505.A N PHE 443.A O no hydrogen 2.986 N/A MET 506.A N ASP 490.A O no hydrogen 3.046 N/A GLY 508.A N ILE 488.A O no hydrogen 2.953 N/A LYS 510.A N LYS 487.A O no hydrogen 3.002 N/A ALA 511.A N GLY 508.A O no hydrogen 3.178 N/A VAL 514.A N LYS 510.A O no hydrogen 3.234 N/A VAL 514.A N ALA 511.A O no hydrogen 3.106 N/A LEU 515.A N ALA 511.A O no hydrogen 3.354 N/A ASN 516.A N GLN 512.A O no hydrogen 2.807 N/A PHE 523.A N ARG 421.A O no hydrogen 2.909 N/A THR 526.A OG1 HIS 474.A NE2 no hydrogen 3.262 N/A ARG 533.A NE TRP 610.A O no hydrogen 2.862 N/A ARG 533.A NE THR 611.A O no hydrogen 3.482 N/A ARG 533.A NH1 GLU 573.A O no hydrogen 2.864 N/A ARG 533.A NH1 THR 611.A O no hydrogen 3.143 N/A ARG 533.A NH2 GLU 573.A O no hydrogen 2.918 N/A GLU 535.A N SER 531.A O no hydrogen 2.997 N/A MET 536.A N GLN 532.A O no hydrogen 3.172 N/A VAL 537.A N ARG 533.A O no hydrogen 2.817 N/A LYS 538.A N GLU 534.A O no hydrogen 2.895 N/A LYS 539.A N GLU 535.A O no hydrogen 3.022 N/A CYS 540.A N MET 536.A O no hydrogen 2.820 N/A LEU 541.A N VAL 537.A O no hydrogen 3.021 N/A GLY 542.A N LYS 538.A O no hydrogen 3.391 N/A GLU 543.A N LYS 539.A O no hydrogen 3.289 N/A LEU 544.A N CYS 540.A O no hydrogen 2.845 N/A THR 545.A N LEU 541.A O no hydrogen 2.903 N/A THR 545.A OG1 LEU 541.A O no hydrogen 2.800 N/A GLU 546.A N GLY 542.A O no hydrogen 3.044 N/A VAL 547.A N GLU 543.A O no hydrogen 2.945 N/A CYS 548.A N LEU 544.A O no hydrogen 3.137 N/A CYS 548.A SG LEU 544.A O no hydrogen 3.424 N/A LYS 549.A N THR 545.A O no hydrogen 2.931 N/A LYS 549.A NZ GLN 289.A OE1 no hydrogen 2.784 N/A SER 550.A N GLU 546.A O no hydrogen 2.884 N/A SER 550.A OG GLU 546.A O no hydrogen 3.177 N/A SER 550.A OG VAL 547.A O no hydrogen 3.152 N/A LEU 551.A N VAL 547.A O no hydrogen 2.886 N/A GLY 552.A N CYS 548.A O no hydrogen 2.774 N/A LYS 553.A N LYS 549.A O no hydrogen 3.147 N/A VAL 554.A N SER 550.A O no hydrogen 3.282 N/A PHE 555.A N LEU 551.A O no hydrogen 2.927 N/A VAL 557.A N GLY 552.A O no hydrogen 2.964 N/A HIS 558.A N GLN 86.A OE1 no hydrogen 3.230 N/A HIS 558.A ND1 ASP 83.A OD1 no hydrogen 3.215 N/A TYR 559.A OH ASP 309.A OD2 no hydrogen 2.683 N/A ASN 561.A N HIS 558.A O no hydrogen 2.866 N/A ASN 561.A ND2 ASP 83.A OD1 no hydrogen 2.787 N/A ASN 561.A ND2 GLN 86.A OE1 no hydrogen 2.851 N/A ILE 562.A N TYR 559.A O no hydrogen 3.158 N/A THR 565.A OG1 ASP 335.A OD2 no hydrogen 2.595 N/A THR 567.A N ASN 564.A OD1 no hydrogen 2.956 N/A THR 567.A OG1 ASN 564.A OD1 no hydrogen 3.103 N/A THR 567.A OG1 ASP 586.A O no hydrogen 2.690 N/A LEU 568.A N ASN 564.A O no hydrogen 2.908 N/A LYS 569.A N THR 565.A O no hydrogen 2.869 N/A LYS 570.A N VAL 566.A O no hydrogen 2.984 N/A LEU 571.A N THR 567.A O no hydrogen 2.937 N/A ALA 572.A N LEU 568.A O no hydrogen 2.981 N/A GLU 573.A N LYS 569.A O no hydrogen 2.964 N/A SER 574.A N LYS 570.A O no hydrogen 3.129 N/A SER 574.A OG LEU 571.A O no hydrogen 2.730 N/A LEU 575.A N LEU 571.A O no hydrogen 3.410 N/A SER 576.A N SER 574.A OG no hydrogen 3.238 N/A ASP 578.A N SER 576.A OG no hydrogen 3.231 N/A VAL 581.A N ASP 578.A O no hydrogen 3.124 N/A LEU 582.A N ASP 578.A O no hydrogen 3.076 N/A LEU 583.A N PRO 579.A O no hydrogen 2.847 N/A GLN 584.A N VAL 581.A O no hydrogen 3.338 N/A GLN 584.A NE2 VAL 581.A O no hydrogen 2.789 N/A ILE 585.A N LEU 582.A O no hydrogen 3.154 N/A GLY 587.A N GLY 25.A O no hydrogen 2.859 N/A VAL 588.A N ILE 585.A O no hydrogen 3.122 N/A THR 589.A OG1 LYS 22.A O no hydrogen 2.711 N/A LYS 592.A NZ ILE 562.A O no hydrogen 2.736 N/A LEU 593.A N THR 589.A O no hydrogen 2.919 N/A GLU 594.A N GLU 590.A O no hydrogen 3.008 N/A LYS 595.A N ASP 591.A O no hydrogen 3.270 N/A LYS 595.A NZ SER 90.A O no hydrogen 3.014 N/A TYR 596.A N LYS 592.A O no hydrogen 2.751 N/A TYR 596.A OH SER 90.A OG no hydrogen 2.738 N/A VAL 600.A N TYR 596.A O no hydrogen 3.186 N/A ILE 601.A N GLY 597.A O no hydrogen 2.745 N/A SER 602.A N ALA 598.A O no hydrogen 3.098 N/A SER 602.A OG ALA 598.A O no hydrogen 3.098 N/A SER 602.A OG GLU 599.A O no hydrogen 2.774 N/A VAL 603.A N VAL 600.A O no hydrogen 3.238 N/A LEU 604.A N VAL 600.A O no hydrogen 3.324 N/A GLN 605.A N ILE 601.A O no hydrogen 2.912 N/A GLN 605.A NE2 ILE 601.A O no hydrogen 3.695 N/A LYS 606.A N VAL 603.A O no hydrogen 3.165 N/A LYS 606.A NZ GLU 543.A OE1 no hydrogen 3.502 N/A LYS 606.A NZ GLU 543.A OE2 no hydrogen 2.775 N/A TYR 607.A N LEU 604.A O no hydrogen 3.199 N/A TYR 607.A OH GLU 543.A OE1 no hydrogen 2.723 N/A SER 608.A N GLN 605.A O no hydrogen 3.334 N/A TRP 610.A N TYR 607.A O no hydrogen 2.984 N/A THR 611.A OG1 LEU 575.A O no hydrogen 2.735 N/A THR 611.A OG1 TYR 607.A O no hydrogen 3.380 N/A THR 611.A OG1 SER 608.A O no hydrogen 2.917 N/A