Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xjk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 341.A OD1 no hydrogen 3.184 N/A MET 1.A N ASP 341.A OD2 no hydrogen 2.988 N/A MET 1.A N GLU 343.A OE2 no hydrogen 3.133 N/A LEU 3.A N GLU 347.A OE2 no hydrogen 2.895 N/A ASP 5.A N LYS 2.A O no hydrogen 3.243 N/A LEU 6.A N LYS 2.A O no hydrogen 3.323 N/A ILE 7.A N LEU 3.A O no hydrogen 2.721 N/A SER 8.A N SER 4.A O no hydrogen 3.115 N/A ARG 9.A N ASP 5.A O no hydrogen 3.130 N/A ARG 9.A NH1 LYS 333.A O no hydrogen 3.144 N/A ARG 9.A NH2 TYR 335.A O no hydrogen 3.107 N/A TRP 10.A N ILE 7.A O no hydrogen 2.923 N/A ILE 11.A N ILE 7.A O no hydrogen 2.641 N/A VAL 13.A N TRP 10.A O no hydrogen 2.939 N/A SER 16.A N ASP 490.A OD2 no hydrogen 2.959 N/A SER 16.A OG ASP 490.A OD1 no hydrogen 2.429 N/A SER 16.A OG ASP 490.A OD2 no hydrogen 3.215 N/A ALA 19.A N SER 16.A OG no hydrogen 3.296 N/A GLN 20.A N SER 16.A O no hydrogen 3.031 N/A ILE 21.A N LYS 17.A O no hydrogen 3.133 N/A ILE 21.A N ASN 18.A O no hydrogen 3.149 N/A ILE 22.A N ASN 18.A O no hydrogen 3.380 N/A LEU 23.A N ALA 19.A O no hydrogen 2.758 N/A ARG 24.A N GLN 20.A O no hydrogen 2.865 N/A ASP 25.A N ILE 21.A O no hydrogen 2.720 N/A ARG 26.A N ILE 22.A O no hydrogen 2.970 N/A ARG 26.A NH1 ASP 25.A OD2 no hydrogen 3.327 N/A ARG 26.A NH2 SER 484.A OG no hydrogen 2.705 N/A TYR 27.A N LEU 23.A O no hydrogen 2.796 N/A TYR 27.A OH SER 91.A OG no hydrogen 2.491 N/A PHE 28.A N LEU 23.A O no hydrogen 3.082 N/A MET 29.A N GLU 38.A OE1 no hydrogen 2.643 N/A LYS 30.A NZ TYR 36.A OH no hydrogen 3.290 N/A ASP 31.A N ASN 35.A O no hydrogen 2.654 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 3.137 N/A GLY 34.A N ASP 31.A O no hydrogen 2.554 N/A ASN 35.A N ASP 31.A OD1 no hydrogen 2.991 N/A TYR 36.A OH ARG 24.A O no hydrogen 3.238 N/A LEU 37.A N MET 29.A O no hydrogen 2.665 N/A THR 39.A N ASP 43.A OD2 no hydrogen 3.025 N/A LYS 40.A N ASP 43.A OD2 no hydrogen 3.348 N/A TRP 41.A NE1 LEU 82.A O no hydrogen 2.900 N/A ASP 43.A N LYS 40.A O no hydrogen 2.799 N/A ALA 45.A N TRP 41.A O no hydrogen 2.999 N/A ARG 46.A N GLU 42.A O no hydrogen 2.946 N/A ARG 46.A NE GLU 75.A OE2 no hydrogen 3.356 N/A ARG 46.A NH2 GLU 75.A OE2 no hydrogen 3.234 N/A ARG 47.A N ASP 43.A O no hydrogen 3.004 N/A ARG 47.A NE GLU 38.A OE2 no hydrogen 2.590 N/A ARG 47.A NH1 LEU 94.A O no hydrogen 3.000 N/A ARG 47.A NH1 ALA 97.A O no hydrogen 3.033 N/A ARG 47.A NH2 GLU 38.A OE1 no hydrogen 3.119 N/A ARG 47.A NH2 GLU 38.A OE2 no hydrogen 3.255 N/A ARG 47.A NH2 LEU 94.A O no hydrogen 3.135 N/A VAL 48.A N VAL 44.A O no hydrogen 2.940 N/A ALA 49.A N ALA 45.A O no hydrogen 2.835 N/A ARG 50.A N ARG 46.A O no hydrogen 2.932 N/A ARG 50.A NE GLU 75.A OE1 no hydrogen 3.281 N/A ARG 50.A NH1 LEU 105.A O no hydrogen 3.049 N/A ARG 50.A NH1 LYS 108.A O no hydrogen 2.830 N/A ARG 50.A NH2 LYS 108.A O no hydrogen 2.795 N/A VAL 51.A N ARG 47.A O no hydrogen 3.144 N/A VAL 52.A N VAL 48.A O no hydrogen 3.239 N/A ALA 53.A N ALA 49.A O no hydrogen 3.028 N/A THR 54.A N ARG 50.A O no hydrogen 3.175 N/A THR 54.A OG1 ARG 50.A O no hydrogen 2.905 N/A ALA 55.A N VAL 52.A O no hydrogen 3.312 N/A GLU 56.A N ALA 53.A O no hydrogen 2.747 N/A LEU 57.A N THR 54.A O no hydrogen 3.071 N/A LEU 58.A N ALA 55.A O no hydrogen 3.270 N/A ASN 59.A N GLU 56.A O no hydrogen 3.364 N/A ASN 59.A ND2 GLU 56.A OE1 no hydrogen 2.965 N/A ASN 59.A ND2 GLU 428.A OE2 no hydrogen 2.974 N/A SER 61.A N ASN 59.A OD1 no hydrogen 2.991 N/A SER 61.A OG GLU 428.A O no hydrogen 2.504 N/A TYR 62.A N ASN 59.A O no hydrogen 3.437 N/A GLU 66.A N LYS 63.A O no hydrogen 2.909 N/A LYS 67.A NZ ASN 59.A O no hydrogen 3.484 N/A LYS 67.A NZ TYR 62.A O no hydrogen 3.018 N/A ARG 70.A N GLU 66.A O no hydrogen 2.882 N/A ILE 71.A N LYS 67.A O no hydrogen 2.827 N/A LYS 72.A N LEU 68.A O no hydrogen 2.985 N/A GLU 73.A N ASP 69.A O no hydrogen 3.081 N/A GLU 73.A N ARG 70.A O no hydrogen 3.195 N/A TRP 74.A N ARG 70.A O no hydrogen 3.163 N/A TRP 74.A NE1 TYR 62.A OH no hydrogen 3.101 N/A GLU 75.A N ILE 71.A O no hydrogen 2.871 N/A ASP 76.A N LYS 72.A O no hydrogen 3.106 N/A ILE 77.A N GLU 73.A O no hydrogen 2.865 N/A PHE 78.A N TRP 74.A O no hydrogen 2.852 N/A PHE 79.A N GLU 75.A O no hydrogen 2.797 N/A ARG 80.A N ASP 76.A O no hydrogen 2.752 N/A ARG 80.A NE ASP 76.A OD2 no hydrogen 2.733 N/A ARG 80.A NH2 ASP 76.A OD2 no hydrogen 3.063 N/A VAL 81.A N ILE 77.A O no hydrogen 2.989 N/A LEU 82.A N PHE 78.A O no hydrogen 3.098 N/A LYS 83.A N PHE 79.A O no hydrogen 2.851 N/A LYS 83.A NZ GLU 42.A OE2 no hydrogen 2.961 N/A ALA 84.A N ARG 80.A O no hydrogen 3.078 N/A ARG 85.A N LEU 82.A O no hydrogen 2.975 N/A ARG 85.A NH1 ILE 488.A O no hydrogen 2.973 N/A ARG 85.A NH1 ASP 490.A OD2 no hydrogen 3.076 N/A LEU 86.A N VAL 81.A O no hydrogen 2.959 N/A ILE 88.A N SER 328.A O no hydrogen 2.942 N/A ASN 90.A N LEU 326.A O no hydrogen 2.597 N/A ASN 90.A ND2 LEU 131.A O no hydrogen 3.305 N/A SER 91.A OG TYR 27.A OH no hydrogen 2.491 N/A THR 93.A N ASN 90.A O no hydrogen 3.013 N/A THR 93.A OG1 LEU 131.A O no hydrogen 2.597 N/A PHE 95.A N SER 91.A O no hydrogen 2.845 N/A ASN 96.A N PRO 92.A O no hydrogen 2.945 N/A ASN 96.A ND2 MET 130.A O no hydrogen 2.752 N/A ASN 96.A ND2 VAL 159.A O no hydrogen 2.876 N/A ALA 97.A N THR 93.A O no hydrogen 3.091 N/A GLY 98.A N HIS 129.A NE2 no hydrogen 2.933 N/A LEU 99.A N ASN 96.A O no hydrogen 3.144 N/A VAL 101.A N GLY 98.A O no hydrogen 3.152 N/A LEU 105.A N LYS 102.A O no hydrogen 3.196 N/A TRP 107.A NE1 GLU 38.A OE2 no hydrogen 2.883 N/A LYS 108.A NZ ASP 117.A OD2 no hydrogen 3.021 N/A GLN 112.A N PRO 109.A O no hydrogen 3.091 N/A MET 113.A N ILE 110.A O no hydrogen 2.770 N/A THR 114.A N ASP 117.A OD2 no hydrogen 3.221 N/A ASP 117.A N THR 114.A OG1 no hydrogen 3.401 N/A TYR 118.A N THR 114.A O no hydrogen 3.365 N/A TYR 118.A OH GLU 75.A OE1 no hydrogen 2.286 N/A GLU 119.A N LEU 115.A O no hydrogen 3.179 N/A GLU 120.A N GLU 116.A O no hydrogen 2.815 N/A ILE 121.A N ASP 117.A O no hydrogen 2.903 N/A TYR 122.A N TYR 118.A O no hydrogen 2.974 N/A ARG 123.A N GLU 119.A O no hydrogen 2.910 N/A SER 124.A N GLU 120.A O no hydrogen 3.149 N/A SER 124.A OG GLU 120.A O no hydrogen 2.338 N/A SER 124.A OG ILE 121.A O no hydrogen 3.386 N/A ARG 125.A NE VAL 362.A O no hydrogen 3.276 N/A ARG 125.A NH1 TYR 122.A O no hydrogen 2.805 N/A ASN 126.A N LEU 99.A O no hydrogen 2.934 N/A LEU 128.A N ASN 126.A OD1 no hydrogen 2.834 N/A HIS 129.A N ASN 126.A O no hydrogen 3.048 N/A MET 130.A N LEU 128.A O no hydrogen 2.838 N/A LEU 131.A N ASN 363.A OD1 no hydrogen 3.195 N/A ALA 133.A N ASN 90.A OD1 no hydrogen 3.072 N/A CYS 134.A N CYS 324.A O no hydrogen 3.335 N/A PHE 135.A N GLY 162.A O no hydrogen 3.098 N/A VAL 136.A N GLU 322.A O no hydrogen 3.062 N/A VAL 137.A N GLY 164.A O no hydrogen 2.999 N/A SER 142.A N GLY 140.A O no hydrogen 2.920 N/A SER 142.A OG GLU 145.A OE2 no hydrogen 2.604 N/A GLU 145.A N SER 142.A OG no hydrogen 3.232 N/A ILE 146.A N SER 142.A O no hydrogen 2.891 N/A PHE 147.A N ILE 143.A O no hydrogen 3.081 N/A GLU 148.A N GLU 144.A O no hydrogen 2.729 N/A ALA 149.A N GLU 145.A O no hydrogen 3.004 N/A VAL 150.A N ILE 146.A O no hydrogen 3.002 N/A LYS 151.A N PHE 147.A O no hydrogen 3.249 N/A GLU 152.A N GLU 148.A O no hydrogen 2.912 N/A TYR 153.A N ALA 149.A O no hydrogen 2.850 N/A TYR 153.A OH SER 165.A OG no hydrogen 2.814 N/A ALA 154.A N VAL 150.A O no hydrogen 3.045 N/A LEU 155.A N LYS 151.A O no hydrogen 3.132 N/A ILE 156.A N GLU 152.A O no hydrogen 2.961 N/A THR 157.A N TYR 153.A O no hydrogen 2.863 N/A THR 157.A OG1 TYR 153.A O no hydrogen 2.790 N/A LYS 158.A N ALA 154.A O no hydrogen 2.936 N/A VAL 159.A N ILE 156.A O no hydrogen 3.231 N/A GLY 160.A N THR 157.A O no hydrogen 3.196 N/A GLY 161.A N ILE 156.A O no hydrogen 2.951 N/A GLY 162.A N ALA 133.A O no hydrogen 2.759 N/A VAL 163.A N ALA 206.A O no hydrogen 3.245 N/A GLY 164.A N PHE 135.A O no hydrogen 3.047 N/A SER 165.A N MET 208.A O no hydrogen 3.000 N/A SER 165.A OG VAL 137.A O no hydrogen 2.529 N/A SER 165.A OG TYR 153.A OH no hydrogen 2.814 N/A SER 165.A OG GLY 164.A O no hydrogen 3.199 N/A ASN 166.A ND2 ASN 212.A OD1 no hydrogen 2.828 N/A ASN 166.A ND2 ASN 308.A O no hydrogen 2.670 N/A PHE 167.A N ILE 210.A O no hydrogen 2.810 N/A SER 168.A N ASN 166.A OD1 no hydrogen 2.909 N/A SER 168.A OG ASN 166.A OD1 no hydrogen 2.422 N/A LEU 170.A N PHE 167.A O no hydrogen 3.047 N/A ARG 171.A N ASP 141.A OD1 no hydrogen 3.062 N/A ARG 171.A NE ASP 141.A OD2 no hydrogen 2.804 N/A ARG 171.A NH1 PHE 176.A O no hydrogen 2.844 N/A ARG 171.A NH2 ASP 141.A OD2 no hydrogen 3.121 N/A LYS 173.A N ASP 217.A OD2 no hydrogen 2.723 N/A LYS 173.A NZ GLU 220.A OE1 no hydrogen 3.217 N/A GLY 174.A N ALA 184.A O no hydrogen 2.737 N/A SER 175.A N PRO 172.A O no hydrogen 3.258 N/A THR 180.A N VAL 177.A O no hydrogen 3.323 N/A ALA 184.A N SER 175.A O no hydrogen 2.762 N/A SER 185.A OG SER 189.A OG no hydrogen 2.592 N/A SER 189.A OG SER 185.A OG no hydrogen 2.592 N/A SER 189.A OG GLY 186.A O no hydrogen 2.786 N/A MET 191.A N PRO 187.A O no hydrogen 3.053 N/A HIS 192.A N SER 189.A O no hydrogen 3.301 N/A HIS 192.A ND1 VAL 188.A O no hydrogen 2.977 N/A VAL 193.A N PHE 190.A O no hydrogen 3.009 N/A PHE 194.A N PHE 190.A O no hydrogen 3.308 N/A ASN 195.A N MET 191.A O no hydrogen 2.960 N/A SER 196.A N HIS 192.A O no hydrogen 2.910 N/A SER 196.A OG HIS 192.A O no hydrogen 2.885 N/A ALA 197.A N VAL 193.A O no hydrogen 2.857 N/A ILE 198.A N PHE 194.A O no hydrogen 3.089 N/A SER 199.A N ASN 195.A O no hydrogen 2.744 N/A SER 199.A OG ASN 195.A O no hydrogen 3.428 N/A SER 199.A OG SER 196.A O no hydrogen 2.945 N/A VAL 200.A N SER 196.A O no hydrogen 3.120 N/A VAL 200.A N ALA 197.A O no hydrogen 3.216 N/A VAL 201.A N ALA 197.A O no hydrogen 2.891 N/A LYS 202.A N ILE 198.A O no hydrogen 2.802 N/A GLN 203.A N VAL 200.A O no hydrogen 3.091 N/A MET 208.A N VAL 163.A O no hydrogen 3.014 N/A GLY 209.A N ASN 233.A O no hydrogen 2.843 N/A ILE 210.A N SER 165.A O no hydrogen 2.932 N/A ASN 212.A N SER 168.A OG no hydrogen 2.914 N/A ILE 213.A N GLY 237.A O no hydrogen 2.871 N/A HIS 215.A N ASN 212.A O no hydrogen 2.993 N/A HIS 215.A NE2 LEU 170.A O no hydrogen 2.642 N/A ASP 217.A N HIS 215.A ND1 no hydrogen 3.173 N/A ILE 218.A N HIS 215.A O no hydrogen 3.198 N/A PHE 221.A N ASP 217.A O no hydrogen 3.063 N/A ILE 222.A N ILE 218.A O no hydrogen 2.816 N/A ASP 223.A N GLU 219.A O no hydrogen 3.365 N/A ALA 224.A N PHE 221.A O no hydrogen 2.799 N/A LYS 225.A NZ PHE 232.A O no hydrogen 2.780 N/A LYS 226.A N ASP 223.A O no hydrogen 2.993 N/A ASN 230.A ND2 VAL 228.A O no hydrogen 3.659 N/A PHE 231.A N ASN 195.A OD1 no hydrogen 2.811 N/A PHE 232.A N LEU 229.A O no hydrogen 2.953 N/A ASN 233.A N LEU 207.A O no hydrogen 2.761 N/A ASN 233.A ND2 PRO 312.A O no hydrogen 3.304 N/A LEU 234.A N ASP 286.A OD2 no hydrogen 2.603 N/A SER 235.A N GLY 209.A O no hydrogen 3.033 N/A VAL 236.A N GLY 288.A O no hydrogen 2.721 N/A GLY 237.A N LEU 211.A O no hydrogen 2.783 N/A PHE 238.A N ALA 290.A O no hydrogen 2.757 N/A LYS 242.A NZ ALA 608.A O no hydrogen 2.959 N/A LYS 242.A NZ THR 611.A O no hydrogen 3.160 N/A LYS 242.A NZ VAL 613.A O no hydrogen 2.884 N/A LYS 243.A N ASP 241.A OD1 no hydrogen 2.989 N/A ILE 245.A N ASP 241.A O no hydrogen 3.338 N/A LEU 246.A N LYS 242.A O no hydrogen 2.786 N/A LYS 247.A N LYS 243.A O no hydrogen 2.874 N/A LEU 248.A N GLU 244.A O no hydrogen 2.879 N/A TYR 249.A N ILE 245.A O no hydrogen 3.069 N/A GLU 250.A N LEU 246.A O no hydrogen 2.942 N/A GLU 251.A N LYS 247.A O no hydrogen 2.968 N/A ASP 252.A N TYR 249.A O no hydrogen 2.994 N/A GLY 253.A N LEU 248.A O no hydrogen 2.747 N/A LEU 255.A N VAL 268.A O no hydrogen 2.500 N/A LEU 257.A N LYS 266.A O no hydrogen 2.684 N/A SER 258.A N ASN 214.A O no hydrogen 3.173 N/A HIS 259.A NE2 GLU 169.A O no hydrogen 3.042 N/A ARG 261.A N HIS 259.A ND1 no hydrogen 2.952 N/A ARG 261.A NE ASP 141.A OD2 no hydrogen 2.582 N/A ARG 261.A NH2 GLU 169.A O no hydrogen 2.708 N/A ARG 261.A NH2 GLU 169.A OE2 no hydrogen 3.250 N/A SER 262.A N HIS 259.A O no hydrogen 3.380 N/A ILE 264.A N SER 262.A OG no hydrogen 2.985 N/A ARG 265.A NH1 GLU 256.A OE2 no hydrogen 3.130 N/A LYS 266.A N LEU 257.A O no hydrogen 2.667 N/A LYS 266.A NZ GLU 219.A OE2 no hydrogen 3.051 N/A VAL 268.A N LEU 255.A O no hydrogen 2.866 N/A LYS 269.A NZ GLU 254.A OE1 no hydrogen 2.996 N/A ILE 270.A N GLY 253.A O no hydrogen 3.050 N/A ARG 271.A NE TYR 249.A O no hydrogen 2.920 N/A ARG 271.A NH2 TYR 249.A O no hydrogen 3.003 N/A LEU 273.A N LYS 269.A O no hydrogen 3.072 N/A PHE 274.A N ILE 270.A O no hydrogen 2.775 N/A ARG 275.A N ARG 271.A O no hydrogen 3.078 N/A ARG 275.A NH2 ASP 599.A OD1 no hydrogen 2.490 N/A LYS 276.A N GLU 272.A O no hydrogen 3.143 N/A LYS 276.A NZ ASP 223.A OD2 no hydrogen 3.257 N/A ILE 277.A N LEU 273.A O no hydrogen 3.091 N/A ALA 278.A N PHE 274.A O no hydrogen 2.825 N/A THR 279.A N ARG 275.A O no hydrogen 2.739 N/A THR 279.A OG1 ARG 275.A O no hydrogen 2.706 N/A ASN 280.A N LYS 276.A O no hydrogen 3.252 N/A ASN 280.A N ILE 277.A O no hydrogen 3.010 N/A ASN 280.A ND2 ILE 222.A O no hydrogen 2.750 N/A ASN 280.A ND2 ASP 223.A OD1 no hydrogen 2.791 N/A ALA 281.A N ILE 277.A O no hydrogen 2.854 N/A TRP 282.A N ALA 278.A O no hydrogen 2.680 N/A TRP 282.A NE1 ALA 596.A O no hydrogen 2.698 N/A LYS 283.A N THR 279.A O no hydrogen 2.984 N/A SER 284.A N ASN 280.A O no hydrogen 2.769 N/A SER 284.A OG ASN 280.A O no hydrogen 2.968 N/A GLY 285.A N ALA 281.A O no hydrogen 2.831 N/A ASP 286.A N SER 284.A OG no hydrogen 3.008 N/A GLY 288.A N LEU 234.A O no hydrogen 2.834 N/A LEU 289.A N ILE 616.A O no hydrogen 3.043 N/A ALA 290.A N VAL 236.A O no hydrogen 2.768 N/A PHE 291.A N ARG 614.A O no hydrogen 3.007 N/A LEU 292.A N ALA 290.A O no hydrogen 2.972 N/A GLY 293.A N PHE 238.A O no hydrogen 2.889 N/A MET 295.A N PHE 291.A O no hydrogen 3.143 N/A MET 295.A N LEU 292.A O no hydrogen 3.029 N/A ASN 296.A N LEU 292.A O no hydrogen 2.939 N/A ASN 296.A ND2 ILE 307.A O no hydrogen 2.988 N/A LYS 297.A N GLY 293.A O no hydrogen 3.066 N/A TYR 298.A N MET 295.A O no hydrogen 3.316 N/A TYR 302.A N TYR 299.A O no hydrogen 3.276 N/A ARG 305.A N LEU 301.A O no hydrogen 2.925 N/A ARG 305.A NH2 GLU 376.A OE2 no hydrogen 3.264 N/A LYS 306.A NZ ASN 308.A OD1 no hydrogen 3.116 N/A ILE 307.A N ASN 296.A OD1 no hydrogen 3.033 N/A SER 309.A OG THR 310.A O no hydrogen 2.650 N/A THR 310.A OG1 ASN 311.A O no hydrogen 2.905 N/A ASN 311.A N ILE 316.A O no hydrogen 3.254 N/A ASN 311.A ND2 GLU 315.A OE1 no hydrogen 3.144 N/A GLY 314.A N ASN 311.A O no hydrogen 3.301 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.660 N/A ILE 316.A N ASN 311.A OD1 no hydrogen 3.035 N/A LEU 318.A N SER 309.A O no hydrogen 3.282 N/A SER 319.A N GLU 322.A OE1 no hydrogen 2.885 N/A SER 319.A OG TYR 299.A OH no hydrogen 3.298 N/A SER 319.A OG GLU 322.A OE1 no hydrogen 2.661 N/A TYR 321.A N VAL 136.A O no hydrogen 2.912 N/A GLU 322.A N SER 319.A O no hydrogen 3.052 N/A CYS 324.A N CYS 134.A O no hydrogen 2.896 N/A CYS 324.A SG ARG 379.A O no hydrogen 3.602 N/A ASN 325.A ND2 LEU 356.A O no hydrogen 2.879 N/A LEU 326.A N ASN 90.A OD1 no hydrogen 2.965 N/A GLY 327.A N GLY 381.A O no hydrogen 3.074 N/A SER 328.A N ILE 88.A O no hydrogen 2.845 N/A ILE 329.A N GLY 383.A O no hydrogen 3.008 N/A ASP 330.A N LEU 86.A O no hydrogen 2.833 N/A VAL 331.A N MET 385.A O no hydrogen 2.920 N/A LYS 333.A N ASP 330.A O no hydrogen 3.325 N/A LYS 333.A NZ ARG 85.A O no hydrogen 2.938 N/A LYS 333.A NZ ASP 330.A OD2 no hydrogen 2.746 N/A LYS 333.A NZ ALA 489.A O no hydrogen 3.444 N/A PHE 334.A N VAL 331.A O no hydrogen 2.979 N/A ASN 336.A N PHE 339.A O no hydrogen 2.800 N/A GLY 338.A N TYR 335.A OH no hydrogen 3.070 N/A PHE 339.A N ASN 336.A O no hydrogen 3.254 N/A ASP 341.A N PHE 334.A O no hydrogen 2.805 N/A GLU 343.A N ASP 341.A OD1 no hydrogen 3.191 N/A LEU 345.A N ASP 341.A O no hydrogen 3.038 N/A GLN 346.A N LEU 342.A O no hydrogen 2.932 N/A GLN 346.A NE2 GLN 350.A OE1 no hydrogen 3.166 N/A LEU 348.A N ALA 344.A O no hydrogen 3.107 N/A VAL 349.A N LEU 345.A O no hydrogen 3.028 N/A GLN 350.A N GLN 346.A O no hydrogen 3.158 N/A ILE 351.A N GLU 347.A O no hydrogen 3.070 N/A ALA 352.A N LEU 348.A O no hydrogen 2.823 N/A VAL 353.A N VAL 349.A O no hydrogen 2.918 N/A ARG 354.A N GLN 350.A O no hydrogen 3.363 N/A ARG 354.A NE GLU 56.A OE2 no hydrogen 3.210 N/A ARG 354.A NH1 GLU 428.A OE1 no hydrogen 3.049 N/A ARG 354.A NH2 GLU 56.A OE1 no hydrogen 3.206 N/A ARG 354.A NH2 GLU 428.A OE1 no hydrogen 3.382 N/A ARG 354.A NH2 GLU 428.A OE2 no hydrogen 2.809 N/A PHE 355.A N ILE 351.A O no hydrogen 2.992 N/A LEU 356.A N ALA 352.A O no hydrogen 3.128 N/A ASP 357.A N VAL 353.A O no hydrogen 2.967 N/A ASN 358.A N ARG 354.A O no hydrogen 2.846 N/A ASN 358.A ND2 VAL 52.A O no hydrogen 2.941 N/A ASN 358.A ND2 GLU 56.A OE2 no hydrogen 2.749 N/A VAL 359.A N PHE 355.A O no hydrogen 2.946 N/A ASP 361.A N ASN 358.A O no hydrogen 2.995 N/A VAL 362.A N ASN 358.A O no hydrogen 3.356 N/A ASN 363.A ND2 SER 132.A OG no hydrogen 2.460 N/A VAL 364.A N HIS 129.A O no hydrogen 2.695 N/A LYS 369.A NZ TYR 321.A OH no hydrogen 3.519 N/A ILE 370.A N ILE 367.A O no hydrogen 3.211 N/A THR 371.A N ILE 367.A O no hydrogen 3.397 N/A THR 371.A OG1 ILE 367.A O no hydrogen 3.421 N/A LYS 372.A N ASP 368.A O no hydrogen 3.009 N/A ALA 373.A N LYS 369.A O no hydrogen 3.051 N/A VAL 374.A N ILE 370.A O no hydrogen 2.875 N/A LYS 375.A N THR 371.A O no hydrogen 2.788 N/A GLU 376.A N LYS 372.A O no hydrogen 2.819 N/A SER 377.A N ALA 373.A O no hydrogen 3.187 N/A ARG 378.A N VAL 374.A O no hydrogen 2.954 N/A ARG 378.A NE ASP 357.A OD1 no hydrogen 3.214 N/A ARG 378.A NH2 ASP 357.A OD1 no hydrogen 3.534 N/A ARG 378.A NH2 ASP 361.A OD1 no hydrogen 3.186 N/A ARG 379.A NE GLU 322.A OE2 no hydrogen 2.958 N/A ARG 379.A NH1 ASN 584.A OD1 no hydrogen 2.821 N/A ARG 379.A NH2 GLU 322.A OE1 no hydrogen 3.080 N/A ARG 379.A NH2 GLU 322.A OE2 no hydrogen 3.423 N/A LEU 380.A N ALA 475.A O no hydrogen 2.947 N/A GLY 381.A N ASN 325.A O no hydrogen 3.188 N/A LEU 382.A N LEU 476.A O no hydrogen 2.726 N/A GLY 383.A N GLY 327.A O no hydrogen 2.851 N/A MET 385.A N ILE 329.A O no hydrogen 2.858 N/A GLY 386.A N SER 492.A O no hydrogen 2.494 N/A ASP 389.A N SER 492.A OG no hydrogen 3.221 N/A LEU 390.A N GLY 386.A O no hydrogen 2.935 N/A LEU 391.A N PHE 387.A O no hydrogen 2.974 N/A TYR 392.A N ALA 388.A O no hydrogen 3.094 N/A TYR 392.A OH VAL 561.A O no hydrogen 2.999 N/A LYS 393.A N ASP 389.A O no hydrogen 3.289 N/A LYS 393.A NZ ALA 332.A O no hydrogen 2.796 N/A LEU 394.A N LEU 390.A O no hydrogen 3.074 N/A GLU 395.A N TYR 392.A O no hydrogen 3.127 N/A ILE 396.A N LEU 391.A O no hydrogen 2.804 N/A TYR 398.A OH LEU 495.A O no hydrogen 2.531 N/A SER 400.A N TYR 398.A O no hydrogen 3.017 N/A SER 400.A OG PRO 397.A O no hydrogen 2.814 N/A GLN 401.A NE2 ASP 405.A OD1 no hydrogen 2.730 N/A ALA 403.A N SER 400.A OG no hydrogen 3.009 N/A ARG 404.A N SER 400.A O no hydrogen 3.263 N/A ARG 404.A NH2 GLN 401.A OE1 no hydrogen 2.766 N/A ASP 405.A N GLN 401.A O no hydrogen 2.925 N/A PHE 406.A N GLU 402.A O no hydrogen 2.994 N/A ALA 407.A N ALA 403.A O no hydrogen 2.873 N/A ALA 408.A N ARG 404.A O no hydrogen 3.016 N/A ASN 409.A N ASP 405.A O no hydrogen 3.220 N/A LEU 410.A N PHE 406.A O no hydrogen 2.949 N/A MET 411.A N ALA 407.A O no hydrogen 3.006 N/A ALA 412.A N ALA 408.A O no hydrogen 2.747 N/A PHE 413.A N ASN 409.A O no hydrogen 2.793 N/A ILE 414.A N LEU 410.A O no hydrogen 2.855 N/A ALA 415.A N MET 411.A O no hydrogen 2.785 N/A LEU 416.A N ALA 412.A O no hydrogen 2.900 N/A HIS 417.A N PHE 413.A O no hydrogen 3.194 N/A ALA 418.A N ILE 414.A O no hydrogen 2.866 N/A HIS 419.A N ALA 415.A O no hydrogen 3.075 N/A HIS 419.A NE2 ASP 583.A OD1 no hydrogen 2.770 N/A ARG 420.A N LEU 416.A O no hydrogen 3.146 N/A THR 421.A N HIS 417.A O no hydrogen 3.066 N/A THR 421.A OG1 HIS 417.A O no hydrogen 2.643 N/A SER 422.A N ALA 418.A O no hydrogen 3.149 N/A SER 422.A OG ASN 473.A OD1 no hydrogen 3.131 N/A TYR 423.A N HIS 419.A O no hydrogen 2.893 N/A GLU 424.A N ARG 420.A O no hydrogen 3.066 N/A LEU 425.A N THR 421.A O no hydrogen 2.746 N/A GLY 426.A N SER 422.A O no hydrogen 2.838 N/A LYS 427.A N TYR 423.A O no hydrogen 3.057 N/A GLU 428.A N GLU 424.A O no hydrogen 2.914 N/A LYS 429.A N LEU 425.A O no hydrogen 2.827 N/A LYS 429.A NZ GLU 56.A OE1 no hydrogen 3.292 N/A LYS 429.A NZ GLU 56.A OE2 no hydrogen 3.072 N/A LYS 429.A NZ ASN 358.A OD1 no hydrogen 3.169 N/A GLY 430.A N GLY 426.A O no hydrogen 3.062 N/A ASN 431.A ND2 GLU 469.A O no hydrogen 2.815 N/A PHE 432.A N ARG 471.A O no hydrogen 2.971 N/A LEU 435.A N PHE 432.A O no hydrogen 2.701 N/A ILE 437.A N LEU 434.A O no hydrogen 3.160 N/A SER 438.A N LEU 435.A O no hydrogen 3.005 N/A SER 438.A OG LEU 435.A O no hydrogen 2.724 N/A ARG 439.A N PRO 300.A O no hydrogen 2.708 N/A ARG 439.A NE GLU 443.A OE2 no hydrogen 3.232 N/A ARG 439.A NH1 ASN 296.A O no hydrogen 3.267 N/A ARG 439.A NH1 LYS 297.A O no hydrogen 3.237 N/A ARG 439.A NH1 TYR 299.A O no hydrogen 2.816 N/A ARG 439.A NH2 LYS 297.A O no hydrogen 2.839 N/A TYR 440.A N SER 438.A OG no hydrogen 3.296 N/A TYR 440.A OH VAL 474.A O no hydrogen 2.984 N/A ARG 441.A N SER 438.A O no hydrogen 2.845 N/A ARG 441.A NE LYS 468.A O no hydrogen 2.717 N/A ARG 441.A NH2 LYS 468.A O no hydrogen 3.190 N/A THR 442.A N SER 438.A O no hydrogen 3.025 N/A MET 451.A N ARG 580.A O no hydrogen 2.714 N/A GLY 452.A N ASP 457.A OD1 no hydrogen 2.928 N/A MET 453.A N TYR 581.A OH no hydrogen 2.870 N/A SER 454.A OG ASN 409.A OD1 no hydrogen 2.662 N/A TYR 456.A N SER 454.A OG no hydrogen 3.122 N/A ASP 457.A N SER 454.A O no hydrogen 3.500 N/A ILE 460.A N TYR 456.A O no hydrogen 3.022 N/A ARG 461.A N ASP 457.A O no hydrogen 3.041 N/A ARG 461.A NH2 ASP 458.A OD1 no hydrogen 2.595 N/A GLU 462.A N ASP 458.A O no hydrogen 3.133 N/A VAL 463.A N GLU 459.A O no hydrogen 2.937 N/A MET 464.A N ILE 460.A O no hydrogen 2.853 N/A LYS 465.A N ARG 461.A O no hydrogen 2.957 N/A LYS 465.A NZ ASN 445.A OD1 no hydrogen 2.630 N/A MET 466.A N GLU 462.A O no hydrogen 3.026 N/A THR 467.A N VAL 463.A O no hydrogen 3.102 N/A THR 467.A OG1 MET 464.A O no hydrogen 2.894 N/A LYS 468.A N LYS 465.A O no hydrogen 3.340 N/A LYS 468.A NZ ARG 441.A O no hydrogen 3.317 N/A LYS 468.A NZ GLU 443.A O no hydrogen 3.086 N/A GLU 469.A N MET 466.A O no hydrogen 3.171 N/A ARG 471.A N ASN 431.A OD1 no hydrogen 3.092 N/A ARG 471.A NE THR 467.A OG1 no hydrogen 3.061 N/A ARG 471.A NH1 HIS 419.A ND1 no hydrogen 3.070 N/A ARG 471.A NH1 ASN 473.A O no hydrogen 2.971 N/A ARG 471.A NH2 HIS 419.A ND1 no hydrogen 2.805 N/A ARG 471.A NH2 THR 467.A OG1 no hydrogen 3.068 N/A ARG 472.A N SER 422.A O no hydrogen 2.925 N/A ARG 472.A NE ASP 357.A OD2 no hydrogen 3.027 N/A ARG 472.A NH1 GLY 430.A O no hydrogen 3.110 N/A ASN 473.A N SER 422.A OG no hydrogen 3.034 N/A ASN 473.A ND2 ASP 357.A OD1 no hydrogen 2.823 N/A ASN 473.A ND2 ARG 378.A O no hydrogen 2.707 N/A VAL 474.A N SER 377.A O no hydrogen 3.098 N/A LEU 476.A N ASP 583.A OD1 no hydrogen 3.024 N/A LEU 476.A N ASP 583.A OD2 no hydrogen 3.193 N/A LEU 477.A N ASP 583.A OD2 no hydrogen 2.877 N/A THR 478.A N LEU 382.A O no hydrogen 3.020 N/A THR 478.A OG1 GLU 315.A O no hydrogen 2.843 N/A THR 478.A OG1 ASN 585.A O no hydrogen 3.168 N/A THR 482.A OG1 PRO 481.A O no hydrogen 2.835 N/A SER 486.A N THR 482.A O no hydrogen 2.984 N/A SER 486.A OG THR 482.A O no hydrogen 2.898 N/A SER 486.A OG SER 493.A OG no hydrogen 2.903 N/A ILE 488.A N SER 484.A O no hydrogen 3.089 N/A ALA 489.A N ILE 485.A O no hydrogen 3.021 N/A ASP 490.A N ASN 487.A O no hydrogen 3.231 N/A THR 491.A N SER 486.A O no hydrogen 3.125 N/A THR 491.A OG1 ASP 330.A OD1 no hydrogen 2.957 N/A THR 491.A OG1 ASP 330.A OD2 no hydrogen 3.319 N/A SER 493.A OG SER 486.A OG no hydrogen 2.903 N/A GLY 494.A N THR 482.A OG1 no hydrogen 2.826 N/A GLU 496.A N SER 493.A O no hydrogen 2.934 N/A ASN 498.A ND2 ASP 389.A OD1 no hydrogen 2.961 N/A TYR 503.A N TYR 519.A O no hydrogen 3.068 N/A ARG 505.A N LEU 517.A O no hydrogen 3.262 N/A VAL 507.A N GLU 515.A O no hydrogen 2.751 N/A LYS 509.A NZ GLU 515.A OE1 no hydrogen 3.542 N/A TYR 519.A N TYR 503.A O no hydrogen 2.747 N/A ASN 521.A N LEU 501.A O no hydrogen 2.826 N/A ASN 521.A ND2 ASP 389.A OD1 no hydrogen 3.236 N/A VAL 523.A N ASN 521.A OD1 no hydrogen 2.837 N/A LEU 524.A N ASN 521.A OD1 no hydrogen 3.123 N/A ARG 525.A N ASN 521.A O no hydrogen 2.860 N/A ARG 525.A NE VAL 520.A O no hydrogen 3.004 N/A ARG 525.A NH2 VAL 520.A O no hydrogen 3.254 N/A GLU 526.A N GLN 522.A O no hydrogen 3.279 N/A LYS 527.A N VAL 523.A O no hydrogen 3.025 N/A LYS 527.A NZ LYS 393.A O no hydrogen 3.035 N/A LEU 528.A N LEU 524.A O no hydrogen 2.989 N/A LEU 533.A N ASN 529.A O no hydrogen 2.918 N/A LYS 534.A N PRO 530.A O no hydrogen 3.114 N/A ARG 535.A N ILE 532.A O no hydrogen 2.807 N/A ILE 536.A N ILE 532.A O no hydrogen 3.095 N/A GLU 537.A N LEU 533.A O no hydrogen 3.113 N/A GLU 539.A N ILE 536.A O no hydrogen 2.698 N/A LEU 540.A N ILE 536.A O no hydrogen 3.169 N/A ILE 541.A N GLU 537.A O no hydrogen 3.337 N/A GLU 542.A N LYS 538.A O no hydrogen 3.322 N/A LYS 543.A N GLU 539.A O no hydrogen 2.908 N/A LYS 543.A NZ ASP 548.A O no hydrogen 2.850 N/A GLY 544.A N LEU 540.A O no hydrogen 2.941 N/A SER 545.A OG ASP 565.A OD1 no hydrogen 2.539 N/A SER 545.A OG ASP 565.A OD2 no hydrogen 3.088 N/A LYS 547.A N SER 545.A OG no hydrogen 3.235 N/A ILE 549.A N LEU 546.A O no hydrogen 3.110 N/A ILE 556.A N PRO 553.A O no hydrogen 3.122 N/A LYS 557.A N PRO 553.A O no hydrogen 3.123 N/A LYS 557.A NZ LYS 547.A O no hydrogen 2.623 N/A LYS 557.A NZ ILE 549.A O no hydrogen 2.679 N/A LYS 558.A N GLU 554.A O no hydrogen 3.155 N/A VAL 559.A N LYS 555.A O no hydrogen 3.190 N/A PHE 560.A N ILE 556.A O no hydrogen 3.031 N/A VAL 561.A N VAL 559.A O no hydrogen 2.705 N/A VAL 562.A N ASP 565.A OD2 no hydrogen 2.877 N/A ALA 563.A N ASN 498.A O no hydrogen 3.011 N/A ASP 565.A N VAL 562.A O no hydrogen 3.082 N/A ILE 566.A N ALA 563.A O no hydrogen 3.333 N/A ASP 570.A N ASP 567.A O no hydrogen 2.897 N/A ASP 570.A N ASP 567.A OD1 no hydrogen 2.999 N/A HIS 571.A N ASP 567.A O no hydrogen 3.150 N/A HIS 571.A NE2 ALA 563.A O no hydrogen 2.754 N/A LEU 572.A N PRO 568.A O no hydrogen 2.911 N/A LEU 573.A N MET 569.A O no hydrogen 2.706 N/A MET 574.A N ASP 570.A O no hydrogen 3.290 N/A GLN 575.A N HIS 571.A O no hydrogen 3.112 N/A GLN 575.A NE2 GLY 615.A O no hydrogen 3.116 N/A ASP 576.A N LEU 572.A O no hydrogen 3.048 N/A ALA 577.A N LEU 573.A O no hydrogen 3.107 N/A PHE 578.A N MET 574.A O no hydrogen 3.056 N/A GLN 579.A N GLN 575.A O no hydrogen 2.955 N/A GLN 579.A NE2 GLN 579.A O no hydrogen 3.251 N/A GLN 579.A NE2 VAL 582.A O no hydrogen 3.015 N/A GLN 579.A NE2 ASN 584.A O no hydrogen 2.786 N/A ARG 580.A N ASP 576.A O no hydrogen 3.073 N/A ARG 580.A NE ASP 576.A OD1 no hydrogen 2.619 N/A ARG 580.A NH2 MET 451.A O no hydrogen 2.688 N/A TYR 581.A N PHE 578.A O no hydrogen 2.941 N/A TYR 581.A OH ASP 457.A OD1 no hydrogen 3.180 N/A TYR 581.A OH ASP 457.A OD2 no hydrogen 2.514 N/A VAL 582.A N GLN 579.A O no hydrogen 3.484 N/A ASN 584.A N LEU 477.A O no hydrogen 3.079 N/A ASN 584.A ND2 LEU 380.A O no hydrogen 2.918 N/A ASN 584.A ND2 LEU 477.A O no hydrogen 2.859 N/A ASN 585.A N GLU 315.A O no hydrogen 2.845 N/A ASN 585.A ND2 GLY 314.A O no hydrogen 2.879 N/A SER 587.A N ILE 479.A O no hydrogen 2.739 N/A LYS 588.A NZ GLU 496.A OE1 no hydrogen 2.905 N/A LYS 588.A NZ HIS 571.A ND1 no hydrogen 2.970 N/A LYS 588.A NZ THR 589.A O no hydrogen 2.656 N/A THR 589.A N GLU 496.A OE2 no hydrogen 2.837 N/A ILE 590.A N THR 617.A O no hydrogen 2.798 N/A MET 592.A N TYR 619.A O no hydrogen 2.727 N/A ALA 596.A N PRO 593.A O no hydrogen 2.956 N/A THR 597.A N ASP 600.A OD2 no hydrogen 3.029 N/A ASP 600.A N THR 597.A OG1 no hydrogen 3.104 N/A VAL 601.A N THR 597.A O no hydrogen 3.076 N/A LEU 602.A N VAL 598.A O no hydrogen 2.867 N/A ASN 603.A N ASP 599.A O no hydrogen 3.027 N/A VAL 604.A N ASP 600.A O no hydrogen 3.232 N/A TYR 605.A N VAL 601.A O no hydrogen 3.152 N/A LEU 606.A N LEU 602.A O no hydrogen 2.846 N/A GLU 607.A N ASN 603.A O no hydrogen 2.719 N/A ALA 608.A N VAL 604.A O no hydrogen 2.792 N/A LEU 609.A N TYR 605.A O no hydrogen 3.070 N/A ARG 610.A N GLU 607.A O no hydrogen 3.012 N/A ARG 610.A NE GLU 607.A OE1 no hydrogen 3.260 N/A ARG 610.A NH2 GLU 607.A OE1 no hydrogen 3.089 N/A THR 611.A N GLU 607.A O no hydrogen 3.165 N/A THR 611.A OG1 ALA 608.A O no hydrogen 3.162 N/A ASN 612.A N ASP 576.A OD2 no hydrogen 2.743 N/A ASN 612.A ND2 ASP 576.A OD2 no hydrogen 3.089 N/A VAL 613.A N THR 611.A OG1 no hydrogen 3.237 N/A ARG 614.A NH1 PRO 448.A O no hydrogen 3.526 N/A ILE 616.A N LEU 289.A O no hydrogen 2.910 N/A TYR 619.A N ILE 590.A O no hydrogen 2.853 N/A ARG 620.A NE TRP 282.A O no hydrogen 2.968 N/A ARG 620.A NH1 GLN 594.A O no hydrogen 3.006 N/A ARG 620.A NH2 TRP 282.A O no hydrogen 3.323 N/A ASP 621.A N MET 592.A O no hydrogen 2.696 N/A SER 623.A N ARG 620.A O no hydrogen 2.797 N/A SER 623.A OG ARG 620.A O no hydrogen 2.340 N/A LEU 624.A N TYR 619.A OH no hydrogen 3.075 N/A