Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7kgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 385.A OD1 no hydrogen 2.723 N/A SER 4.A OG LEU 188.A O no hydrogen 2.852 N/A LEU 6.A N SER 4.A OG no hydrogen 3.365 N/A TYR 7.A OH GLU 339.A OE2 no hydrogen 2.797 N/A SER 11.A N ARG 14.A O no hydrogen 3.116 N/A SER 11.A OG GLU 267.A O no hydrogen 2.702 N/A THR 12.A N GLU 267.A OE1 no hydrogen 3.279 N/A THR 12.A OG1 GLU 267.A OE1 no hydrogen 3.447 N/A SER 13.A N SER 11.A OG no hydrogen 3.147 N/A SER 13.A OG SER 11.A OG no hydrogen 3.084 N/A SER 13.A OG ASP 266.A OD1 no hydrogen 2.589 N/A ARG 14.A N SER 11.A OG no hydrogen 3.099 N/A ARG 14.A NE ASP 266.A OD1 no hydrogen 2.943 N/A ARG 14.A NH2 ILE 187.A O no hydrogen 2.830 N/A ARG 14.A NH2 ASP 266.A OD2 no hydrogen 2.596 N/A ARG 15.A N ALA 181.A O no hydrogen 2.873 N/A ARG 15.A NH1 SER 11.A O no hydrogen 2.769 N/A ARG 15.A NH1 THR 12.A O no hydrogen 3.416 N/A ARG 15.A NH1 ARG 14.A O no hydrogen 2.872 N/A ARG 15.A NH2 THR 12.A O no hydrogen 3.507 N/A VAL 17.A N LEU 179.A O no hydrogen 2.813 N/A LEU 19.A N VAL 177.A O no hydrogen 2.812 N/A ASP 20.A N SER 18.A OG no hydrogen 3.037 N/A GLY 21.A N VAL 50.A O no hydrogen 3.001 N/A TRP 23.A N MET 48.A O no hydrogen 2.860 N/A TRP 23.A NE1 LEU 19.A O no hydrogen 2.859 N/A ARG 24.A N GLU 73.A O no hydrogen 2.873 N/A ARG 24.A NE SER 45.A OG no hydrogen 2.931 N/A ARG 24.A NH2 SER 45.A OG no hydrogen 3.008 N/A SER 26.A N TRP 71.A O no hydrogen 3.048 N/A SER 26.A OG PHE 27.A O no hydrogen 2.652 N/A SER 26.A OG GLU 44.A O no hydrogen 3.502 N/A ASP 28.A N ASP 69.A O no hydrogen 3.067 N/A LYS 30.A NZ GLU 32.A OE1 no hydrogen 3.534 N/A SER 31.A N ASP 28.A O no hydrogen 2.943 N/A SER 31.A OG ASP 69.A OD2 no hydrogen 3.458 N/A GLU 32.A N ASP 28.A OD1 no hydrogen 2.974 N/A GLY 33.A N ASP 28.A OD2 no hydrogen 2.851 N/A ALA 36.A N GLU 32.A O no hydrogen 2.990 N/A ASN 37.A N VAL 34.A O no hydrogen 2.864 N/A TRP 38.A N GLY 33.A O no hydrogen 2.737 N/A ASN 40.A N ASN 37.A O no hydrogen 3.085 N/A ASN 40.A ND2 ASN 37.A OD1 no hydrogen 2.617 N/A GLY 41.A N TRP 38.A O no hydrogen 2.829 N/A ILE 46.A N PHE 25.A O no hydrogen 2.881 N/A MET 48.A N TRP 23.A O no hydrogen 2.873 N/A VAL 50.A N GLY 21.A O no hydrogen 2.896 N/A ALA 52.A N ILE 173.A O no hydrogen 2.961 N/A SER 53.A N ARG 305.A O no hydrogen 2.998 N/A SER 53.A OG HIS 174.A NE2 no hydrogen 2.792 N/A PHE 54.A N ALA 171.A O no hydrogen 3.002 N/A CYS 55.A SG ARG 64.A O no hydrogen 3.756 N/A LYS 61.A NZ GLU 552.A OE1 no hydrogen 3.433 N/A LYS 61.A NZ GLU 552.A OE2 no hydrogen 2.820 N/A GLU 62.A N GLU 62.A OE2 no hydrogen 2.591 N/A SER 63.A N ASP 60.A OD2 no hydrogen 3.114 N/A SER 63.A OG ASP 60.A OD1 no hydrogen 3.397 N/A SER 63.A OG ASP 60.A OD2 no hydrogen 2.718 N/A ARG 64.A N ASP 60.A O no hydrogen 3.302 N/A ARG 64.A NE TYR 168.A OH no hydrogen 3.064 N/A ARG 64.A NH1 GLU 552.A OE2 no hydrogen 3.458 N/A ARG 64.A NH2 GLU 65.A OE2 no hydrogen 2.700 N/A ARG 64.A NH2 GLU 552.A OE2 no hydrogen 2.883 N/A GLU 65.A N LYS 61.A O no hydrogen 2.892 N/A TYR 66.A N SER 63.A O no hydrogen 3.172 N/A TYR 66.A OH ASP 69.A O no hydrogen 2.609 N/A CYS 67.A SG ASN 139.A OD1 no hydrogen 3.764 N/A GLY 68.A N ASN 139.A OD1 no hydrogen 2.833 N/A PHE 70.A N LEU 137.A O no hydrogen 2.837 N/A TRP 71.A N SER 26.A O no hydrogen 2.841 N/A TRP 71.A NE1 ASP 28.A OD2 no hydrogen 2.988 N/A TYR 72.A N VAL 135.A O no hydrogen 2.929 N/A GLU 73.A N ARG 24.A O no hydrogen 2.847 N/A THR 74.A N LEU 133.A O no hydrogen 2.940 N/A PHE 76.A N ASN 131.A O no hydrogen 2.745 N/A VAL 78.A N GLN 129.A O no hydrogen 3.047 N/A GLY 80.A N ASN 128.A OD1 no hydrogen 2.896 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.748 N/A TRP 82.A N PRO 79.A O no hydrogen 3.047 N/A SER 83.A N GLY 80.A O no hydrogen 2.965 N/A LYS 85.A N TRP 82.A O no hydrogen 3.098 N/A LYS 85.A NZ SER 13.A O no hydrogen 3.440 N/A ASP 86.A N LEU 182.A O no hydrogen 2.672 N/A ILE 87.A N THR 122.A OG1 no hydrogen 2.884 N/A ALA 88.A N MET 180.A O no hydrogen 2.991 N/A ILE 89.A N ALA 119.A O no hydrogen 2.773 N/A ARG 90.A N LYS 178.A O no hydrogen 2.636 N/A ARG 90.A NE ASP 118.A OD1 no hydrogen 2.757 N/A ARG 90.A NH1 LEU 6.A O no hydrogen 3.189 N/A ARG 90.A NH2 LEU 6.A O no hydrogen 2.932 N/A ARG 90.A NH2 ASP 118.A OD2 no hydrogen 3.302 N/A PHE 91.A N PHE 117.A O no hydrogen 2.857 N/A GLY 92.A N PRO 176.A O no hydrogen 3.178 N/A THR 95.A N GLY 172.A O no hydrogen 3.079 N/A THR 95.A OG1 GLY 113.A O no hydrogen 2.857 N/A THR 95.A OG1 HIS 174.A ND1 no hydrogen 3.140 N/A HIS 96.A N ASN 138.A O no hydrogen 2.948 N/A HIS 96.A NE2 ASN 169.A OD1 no hydrogen 2.822 N/A HIS 97.A N ASN 138.A O no hydrogen 2.989 N/A HIS 97.A ND1 GLU 111.A OE1 no hydrogen 2.682 N/A HIS 97.A NE2 GLU 140.A O no hydrogen 2.909 N/A ALA 98.A N HIS 110.A O no hydrogen 2.935 N/A ARG 99.A N LEU 136.A O no hydrogen 2.913 N/A ARG 99.A NE GLU 106.A OE2 no hydrogen 2.996 N/A ARG 99.A NH2 GLU 106.A OE1 no hydrogen 2.895 N/A ILE 100.A N ALA 108.A O no hydrogen 2.860 N/A PHE 101.A N SER 134.A O no hydrogen 2.802 N/A VAL 102.A N VAL 105.A O no hydrogen 2.793 N/A ASN 103.A N LYS 132.A O no hydrogen 2.836 N/A ASN 103.A ND2 ILE 124.A O no hydrogen 3.072 N/A ASN 103.A ND2 ASN 131.A OD1 no hydrogen 2.823 N/A VAL 105.A N VAL 102.A O no hydrogen 2.936 N/A VAL 107.A N ILE 100.A O no hydrogen 2.744 N/A GLN 109.A NE2 GLU 106.A OE2 no hydrogen 2.762 N/A HIS 110.A N ALA 98.A O no hydrogen 2.916 N/A GLY 112.A N HIS 96.A O no hydrogen 3.176 N/A PHE 117.A N PHE 91.A O no hydrogen 3.036 N/A ALA 119.A N ILE 89.A O no hydrogen 2.903 N/A VAL 121.A N ILE 87.A O no hydrogen 2.887 N/A THR 122.A OG1 ASP 86.A OD1 no hydrogen 2.912 N/A THR 122.A OG1 ILE 87.A O no hydrogen 3.455 N/A ILE 124.A N VAL 121.A O no hydrogen 3.112 N/A VAL 125.A N VAL 121.A O no hydrogen 3.275 N/A ARG 126.A N ASN 131.A OD1 no hydrogen 2.794 N/A ARG 126.A NE GLN 129.A OE1 no hydrogen 3.025 N/A TYR 127.A OH THR 122.A O no hydrogen 2.983 N/A ASN 131.A N PHE 76.A O no hydrogen 2.720 N/A ASN 131.A ND2 PHE 76.A O no hydrogen 3.634 N/A ASN 131.A ND2 ARG 126.A O no hydrogen 3.075 N/A LYS 132.A N ASN 103.A OD1 no hydrogen 3.002 N/A LYS 132.A NZ ASP 75.A OD1 no hydrogen 2.972 N/A LEU 133.A N THR 74.A O no hydrogen 2.822 N/A SER 134.A N PHE 101.A O no hydrogen 2.829 N/A SER 134.A OG ALA 39.A O no hydrogen 2.706 N/A VAL 135.A N TYR 72.A O no hydrogen 2.678 N/A LEU 136.A N ARG 99.A O no hydrogen 2.897 N/A LEU 137.A N PHE 70.A O no hydrogen 2.754 N/A ASN 138.A N HIS 97.A O no hydrogen 2.917 N/A ASN 138.A ND2 ASP 69.A OD1 no hydrogen 2.846 N/A ASN 138.A ND2 GLU 140.A OE2 no hydrogen 3.031 N/A ASN 139.A N GLY 68.A O no hydrogen 3.320 N/A ASN 139.A ND2 TYR 66.A O no hydrogen 2.932 N/A GLU 140.A N ASN 138.A OD1 no hydrogen 2.883 N/A LEU 141.A N THR 151.A OG1 no hydrogen 3.112 N/A HIS 144.A N ASN 142.A OD1 no hydrogen 2.831 N/A ALA 148.A N VAL 358.A O no hydrogen 3.156 N/A GLY 149.A N ASN 142.A O no hydrogen 3.013 N/A ASN 150.A N ALA 162.A O no hydrogen 2.835 N/A THR 151.A OG1 LEU 141.A O no hydrogen 2.866 N/A ALA 152.A N VAL 160.A O no hydrogen 2.849 N/A LEU 154.A N LYS 158.A O no hydrogen 2.803 N/A GLY 157.A N LEU 154.A O no hydrogen 2.996 N/A LYS 158.A N ASN 156.A OD1 no hydrogen 3.024 N/A LYS 158.A NZ GLU 62.A O no hydrogen 2.764 N/A VAL 160.A N ALA 152.A O no hydrogen 2.802 N/A ALA 162.A N ASN 150.A O no hydrogen 2.785 N/A TYR 164.A N ALA 148.A O no hydrogen 3.192 N/A TYR 164.A OH GLU 143.A OE2 no hydrogen 2.679 N/A TYR 168.A N GLN 549.A O no hydrogen 3.157 N/A TYR 168.A OH ARG 64.A O no hydrogen 2.828 N/A ASN 169.A ND2 ASN 139.A O no hydrogen 3.031 N/A TYR 170.A OH ASP 56.A OD2 no hydrogen 2.503 N/A ARG 175.A NH1 PHE 114.A O no hydrogen 2.807 N/A ARG 175.A NH2 GLU 300.A OE1 no hydrogen 2.858 N/A ARG 175.A NH2 PRO 335.A O no hydrogen 2.656 N/A VAL 177.A N ASP 20.A OD1 no hydrogen 2.964 N/A LYS 178.A N ARG 90.A O no hydrogen 2.873 N/A LEU 179.A N VAL 17.A O no hydrogen 2.786 N/A MET 180.A N ALA 88.A O no hydrogen 2.726 N/A ALA 181.A N ARG 15.A O no hydrogen 3.184 N/A LEU 182.A N ASP 86.A O no hydrogen 2.864 N/A ARG 186.A N ASN 210.A OD1 no hydrogen 2.810 N/A ARG 186.A NH1 ASP 86.A OD2 no hydrogen 2.810 N/A ARG 186.A NH1 PRO 183.A O no hydrogen 2.926 N/A ILE 187.A N ASP 266.A OD2 no hydrogen 2.765 N/A LEU 188.A N THR 208.A O no hydrogen 2.696 N/A ASP 189.A N THR 208.A O no hydrogen 3.385 N/A TYR 190.A N ASP 189.A OD1 no hydrogen 2.848 N/A TYR 190.A OH GLU 270.A OE1 no hydrogen 2.604 N/A SER 191.A N THR 206.A O no hydrogen 2.925 N/A SER 191.A OG THR 206.A OG1 no hydrogen 2.846 N/A VAL 192.A N ASN 392.A OD1 no hydrogen 3.108 N/A LYS 193.A N ASP 204.A O no hydrogen 2.869 N/A ARG 195.A N GLU 202.A O no hydrogen 2.947 N/A ARG 195.A NE ASP 204.A OD2 no hydrogen 2.988 N/A ARG 195.A NH1 GLU 202.A OE1 no hydrogen 2.763 N/A ARG 195.A NH2 GLU 202.A OE1 no hydrogen 2.725 N/A ARG 195.A NH2 ASP 204.A OD1 no hydrogen 2.955 N/A ARG 195.A NH2 ASP 204.A OD2 no hydrogen 3.377 N/A THR 197.A N GLY 200.A O no hydrogen 2.629 N/A GLY 200.A N THR 197.A O no hydrogen 3.024 N/A GLY 200.A N THR 197.A OG1 no hydrogen 3.248 N/A ALA 201.A N VAL 238.A O no hydrogen 3.162 N/A GLU 202.A N ARG 195.A O no hydrogen 2.937 N/A VAL 203.A N LEU 236.A O no hydrogen 2.833 N/A ASP 204.A N LYS 193.A O no hydrogen 2.816 N/A TYR 205.A N GLY 234.A O no hydrogen 2.991 N/A TYR 205.A OH GLY 231.A O no hydrogen 2.772 N/A THR 206.A N SER 191.A O no hydrogen 3.159 N/A THR 206.A OG1 SER 191.A OG no hydrogen 2.846 N/A VAL 207.A N LYS 232.A O no hydrogen 2.754 N/A THR 208.A N ASP 189.A O no hydrogen 2.830 N/A ASN 210.A N ARG 186.A O no hydrogen 3.312 N/A ASN 210.A ND2 ASN 2.A OD1 no hydrogen 3.124 N/A ASN 210.A ND2 THR 184.A O no hydrogen 2.933 N/A GLY 211.A N THR 209.A OG1 no hydrogen 3.156 N/A HIS 213.A N GLU 185.A OE2 no hydrogen 3.047 N/A HIS 213.A ND1 GLU 185.A OE1 no hydrogen 2.696 N/A THR 216.A N ARG 257.A O no hydrogen 2.908 N/A THR 216.A OG1 HIS 259.A NE2 no hydrogen 2.564 N/A VAL 217.A N ALA 229.A O no hydrogen 3.010 N/A GLU 218.A N VAL 255.A O no hydrogen 2.849 N/A LEU 219.A N ALA 227.A O no hydrogen 2.959 N/A TYR 220.A N ASN 253.A O no hydrogen 2.799 N/A TYR 220.A OH GLU 218.A OE1 no hydrogen 3.282 N/A ASP 221.A N THR 224.A O no hydrogen 2.722 N/A THR 224.A N ASP 221.A O no hydrogen 3.046 N/A LYS 225.A NZ GLU 218.A OE1 no hydrogen 2.892 N/A LYS 225.A NZ GLU 228.A OE2 no hydrogen 2.784 N/A VAL 226.A N LEU 219.A O no hydrogen 2.784 N/A ALA 227.A N LEU 219.A O no hydrogen 3.383 N/A ALA 229.A N VAL 217.A O no hydrogen 2.917 N/A GLY 231.A N VAL 215.A O no hydrogen 2.684 N/A LYS 232.A NZ THR 209.A OG1 no hydrogen 2.828 N/A LYS 232.A NZ GLY 211.A O no hydrogen 2.919 N/A GLY 234.A N TYR 205.A O no hydrogen 3.254 N/A THR 235.A OG1 ASP 204.A OD1 no hydrogen 2.629 N/A LEU 236.A N VAL 203.A O no hydrogen 2.789 N/A VAL 238.A N ALA 201.A O no hydrogen 2.770 N/A ASP 240.A N GLU 199.A O no hydrogen 2.593 N/A LYS 242.A N TYR 252.A OH no hydrogen 2.838 N/A LYS 242.A NZ ASP 221.A OD2 no hydrogen 2.762 N/A LYS 242.A NZ TYR 250.A OH no hydrogen 3.266 N/A TRP 244.A N ILE 274.A O no hydrogen 2.740 N/A TRP 244.A NE1 ASP 345.A O no hydrogen 2.778 N/A ASN 245.A N ALA 248.A O no hydrogen 3.023 N/A ASN 245.A ND2 LEU 243.A O no hydrogen 3.601 N/A HIS 247.A N GLY 348.A O no hydrogen 2.879 N/A HIS 247.A NE2 ALA 326.A O no hydrogen 2.722 N/A ALA 248.A N ASN 245.A O no hydrogen 2.888 N/A TYR 250.A OH ASP 221.A OD1 no hydrogen 2.515 N/A TYR 250.A OH ASP 221.A OD2 no hydrogen 3.428 N/A TYR 252.A N VAL 272.A O no hydrogen 2.764 N/A ASN 253.A N TYR 220.A O no hydrogen 2.894 N/A ASN 253.A ND2 GLY 222.A O no hydrogen 3.417 N/A ILE 254.A N GLU 270.A O no hydrogen 2.923 N/A VAL 255.A N GLU 218.A O no hydrogen 2.747 N/A ILE 256.A N TYR 268.A O no hydrogen 2.876 N/A ARG 257.A N THR 216.A O no hydrogen 2.949 N/A ARG 257.A NH1 GLU 218.A OE2 no hydrogen 2.755 N/A ILE 258.A N ASP 266.A O no hydrogen 2.972 N/A HIS 259.A N GLU 214.A O no hydrogen 2.795 N/A HIS 259.A NE2 THR 216.A OG1 no hydrogen 2.564 N/A ASP 260.A N ALA 263.A O no hydrogen 2.894 N/A ALA 263.A N ASP 260.A O no hydrogen 3.024 N/A VAL 265.A N ILE 258.A O no hydrogen 2.638 N/A GLU 267.A N SER 13.A OG no hydrogen 2.938 N/A TYR 268.A N ILE 256.A O no hydrogen 2.879 N/A TYR 268.A OH TYR 7.A O no hydrogen 2.530 N/A GLU 270.A N ILE 254.A O no hydrogen 3.237 N/A LYS 271.A NZ ASN 253.A OD1 no hydrogen 2.847 N/A VAL 272.A N TYR 252.A O no hydrogen 2.772 N/A ARG 275.A NE ALA 394.A O no hydrogen 2.657 N/A ARG 275.A NH1 ALA 394.A O no hydrogen 3.486 N/A ARG 275.A NH1 VAL 396.A O no hydrogen 2.746 N/A ARG 275.A NH1 GLN 429.A OE1 no hydrogen 3.314 N/A ARG 275.A NH2 ARG 275.A O no hydrogen 2.864 N/A ARG 275.A NH2 GLN 429.A OE1 no hydrogen 2.743 N/A THR 276.A N ASN 287.A OD1 no hydrogen 2.992 N/A GLU 278.A N LEU 285.A O no hydrogen 2.998 N/A LYS 280.A N HIS 283.A O no hydrogen 2.923 N/A HIS 283.A N LYS 280.A O no hydrogen 3.004 N/A LEU 285.A N GLU 278.A O no hydrogen 2.701 N/A LEU 286.A N LYS 289.A O no hydrogen 2.911 N/A ASN 287.A N THR 276.A O no hydrogen 2.802 N/A ASN 287.A ND2 TRP 244.A O no hydrogen 2.824 N/A ASN 287.A ND2 ASN 245.A OD1 no hydrogen 3.042 N/A LYS 289.A N LEU 286.A O no hydrogen 3.225 N/A LYS 289.A NZ ASN 287.A O no hydrogen 3.252 N/A VAL 291.A N PHE 284.A O no hydrogen 2.884 N/A TYR 292.A N LEU 587.A O no hydrogen 2.799 N/A TYR 292.A OH GLU 540.A OE1 no hydrogen 2.479 N/A LEU 293.A N GLN 538.A O no hydrogen 3.084 N/A ARG 294.A N ASN 327.A OD1 no hydrogen 3.078 N/A ARG 294.A NE TYR 292.A O no hydrogen 3.198 N/A ARG 294.A NH1 TRP 582.A O no hydrogen 2.891 N/A ARG 294.A NH1 LEU 585.A O no hydrogen 2.979 N/A ARG 294.A NH2 TYR 292.A O no hydrogen 3.091 N/A ARG 294.A NH2 PRO 586.A O no hydrogen 2.873 N/A GLY 295.A N GLU 540.A O no hydrogen 2.951 N/A PHE 296.A N CYS 328.A O no hydrogen 3.239 N/A GLY 297.A N VAL 542.A O no hydrogen 3.019 N/A LYS 298.A N ARG 330.A O no hydrogen 3.441 N/A LYS 298.A NZ ASP 317.A OD2 no hydrogen 2.897 N/A HIS 299.A ND1 TYR 334.A OH no hydrogen 2.852 N/A GLU 300.A N TYR 334.A OH no hydrogen 2.981 N/A ALA 302.A N GLY 306.A O no hydrogen 3.234 N/A ARG 305.A N ASP 303.A O no hydrogen 2.784 N/A ARG 307.A N SER 53.A OG no hydrogen 2.983 N/A ARG 307.A NH1 GLU 300.A O no hydrogen 2.809 N/A ARG 307.A NH2 TYR 168.A O no hydrogen 2.873 N/A GLY 308.A N ARG 305.A O no hydrogen 2.921 N/A LEU 309.A N HIS 174.A O no hydrogen 2.952 N/A THR 313.A N ASP 310.A OD2 no hydrogen 2.833 N/A THR 313.A OG1 ASP 310.A OD2 no hydrogen 2.506 N/A VAL 314.A N ASP 310.A O no hydrogen 3.040 N/A LYS 315.A N LEU 311.A O no hydrogen 2.900 N/A LYS 315.A NZ GLU 319.A OE2 no hydrogen 3.400 N/A ARG 316.A N ALA 312.A O no hydrogen 3.086 N/A ARG 316.A NE ARG 569.A O no hydrogen 3.419 N/A ARG 316.A NH2 ARG 569.A O no hydrogen 2.927 N/A ASP 317.A N THR 313.A O no hydrogen 2.898 N/A TYR 318.A N VAL 314.A O no hydrogen 3.058 N/A TYR 318.A OH LEU 340.A O no hydrogen 2.730 N/A GLU 319.A N LYS 315.A O no hydrogen 2.960 N/A LEU 320.A N ARG 316.A O no hydrogen 2.944 N/A MET 321.A N ASP 317.A O no hydrogen 2.879 N/A LYS 322.A N TYR 318.A O no hydrogen 2.934 N/A LYS 322.A NZ GLU 319.A OE2 no hydrogen 2.758 N/A LYS 322.A NZ GLU 347.A OE1 no hydrogen 3.443 N/A TRP 323.A N GLU 319.A O no hydrogen 2.968 N/A ILE 324.A N LEU 320.A O no hydrogen 2.911 N/A GLY 325.A N LYS 322.A O no hydrogen 3.241 N/A ALA 326.A N MET 321.A O no hydrogen 2.986 N/A ASN 327.A N ARG 294.A O no hydrogen 2.884 N/A ASN 327.A ND2 TYR 292.A O no hydrogen 3.250 N/A CYS 328.A SG LEU 350.A O no hydrogen 3.521 N/A PHE 329.A N LEU 350.A O no hydrogen 2.917 N/A ARG 330.A N PHE 296.A O no hydrogen 3.021 N/A ARG 330.A NH1 GLU 354.A OE1 no hydrogen 2.616 N/A ARG 330.A NH1 ASN 403.A OD1 no hydrogen 2.898 N/A ARG 330.A NH2 THR 497.A O no hydrogen 3.335 N/A ARG 330.A NH2 GLU 498.A OE2 no hydrogen 3.115 N/A THR 331.A N ILE 352.A O no hydrogen 2.982 N/A THR 331.A OG1 TYR 334.A O no hydrogen 3.312 N/A THR 331.A OG1 ASP 353.A OD1 no hydrogen 3.440 N/A THR 331.A OG1 GLU 354.A O no hydrogen 3.446 N/A SER 332.A OG LYS 298.A O no hydrogen 2.657 N/A SER 332.A OG ARG 330.A O no hydrogen 3.498 N/A HIS 333.A ND1 GLU 354.A OE2 no hydrogen 2.688 N/A TYR 334.A N THR 331.A O no hydrogen 2.948 N/A TYR 334.A OH HIS 299.A ND1 no hydrogen 2.852 N/A TYR 336.A N TYR 341.A OH no hydrogen 2.957 N/A TYR 336.A OH SER 332.A O no hydrogen 2.711 N/A ALA 337.A N GLU 300.A OE2 no hydrogen 2.902 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.672 N/A GLU 339.A N GLU 339.A OE1 no hydrogen 2.665 N/A LEU 340.A N ALA 337.A O no hydrogen 2.974 N/A TYR 341.A OH ASP 353.A OD1 no hydrogen 2.738 N/A GLN 342.A N GLU 338.A O no hydrogen 3.029 N/A MET 343.A N GLU 339.A O no hydrogen 3.098 N/A ALA 344.A N LEU 340.A O no hydrogen 3.157 N/A ASP 345.A N TYR 341.A O no hydrogen 2.815 N/A GLU 346.A N GLN 342.A O no hydrogen 3.112 N/A GLU 347.A N MET 343.A O no hydrogen 2.904 N/A PHE 349.A N ALA 344.A O no hydrogen 3.164 N/A LEU 350.A N ASN 327.A O no hydrogen 2.879 N/A ILE 351.A N SER 395.A O no hydrogen 2.736 N/A ILE 352.A N PHE 329.A O no hydrogen 3.077 N/A ASP 353.A N ALA 398.A O no hydrogen 2.940 N/A GLU 354.A N THR 331.A OG1 no hydrogen 2.851 N/A VAL 355.A N SER 400.A O no hydrogen 3.378 N/A TRP 366.A N GLN 406.A OE1 no hydrogen 2.928 N/A PHE 367.A N SER 409.A OG no hydrogen 3.161 N/A GLU 368.A N GLY 365.A O no hydrogen 2.917 N/A LYS 369.A N TRP 366.A O no hydrogen 3.219 N/A THR 372.A N LYS 369.A O no hydrogen 3.058 N/A THR 372.A OG1 LYS 369.A O no hydrogen 2.694 N/A GLN 374.A NE2 GLN 374.A O no hydrogen 3.103 N/A LEU 375.A N THR 371.A O no hydrogen 3.072 N/A LEU 376.A N THR 372.A O no hydrogen 2.831 N/A ALA 377.A N PRO 373.A O no hydrogen 3.183 N/A ASN 378.A N GLN 374.A O no hydrogen 3.098 N/A ASN 378.A ND2 HIS 144.A O no hydrogen 2.833 N/A HIS 379.A N LEU 375.A O no hydrogen 2.788 N/A HIS 379.A ND1 TYR 415.A OH no hydrogen 2.811 N/A HIS 379.A NE2 ILE 401.A O no hydrogen 2.889 N/A LYS 380.A N LEU 376.A O no hydrogen 2.839 N/A ASP 381.A N ALA 377.A O no hydrogen 3.093 N/A ALA 382.A N ASN 378.A O no hydrogen 3.076 N/A LEU 383.A N HIS 379.A O no hydrogen 2.905 N/A THR 384.A N LYS 380.A O no hydrogen 2.844 N/A THR 384.A OG1 LYS 380.A O no hydrogen 2.863 N/A ASP 385.A N ASP 381.A O no hydrogen 2.833 N/A MET 386.A N ALA 382.A O no hydrogen 2.839 N/A ILE 387.A N LEU 383.A O no hydrogen 3.041 N/A GLY 388.A N THR 384.A O no hydrogen 2.882 N/A ARG 389.A N ASP 385.A O no hydrogen 2.849 N/A ARG 389.A NE ASP 390.A OD1 no hydrogen 2.686 N/A ARG 389.A NH1 TYR 336.A O no hydrogen 2.929 N/A ARG 389.A NH2 TYR 336.A O no hydrogen 2.861 N/A ARG 389.A NH2 ASP 390.A OD1 no hydrogen 3.341 N/A ARG 389.A NH2 ASP 390.A OD2 no hydrogen 2.894 N/A ASP 390.A N MET 386.A O no hydrogen 2.967 N/A LYS 391.A N ILE 387.A O no hydrogen 2.959 N/A LYS 391.A NZ ASP 189.A OD1 no hydrogen 2.756 N/A LYS 391.A NZ ASP 189.A OD2 no hydrogen 3.050 N/A LYS 391.A NZ GLY 388.A O no hydrogen 3.133 N/A ASN 392.A ND2 TYR 190.A O no hydrogen 2.900 N/A HIS 393.A N ASP 390.A O no hydrogen 3.130 N/A HIS 393.A ND1 ASP 345.A OD2 no hydrogen 2.647 N/A SER 395.A N ASP 345.A OD1 no hydrogen 3.021 N/A SER 395.A OG ASP 345.A OD1 no hydrogen 2.967 N/A VAL 396.A N HIS 393.A O no hydrogen 3.284 N/A ILE 397.A N ILE 351.A O no hydrogen 3.044 N/A TRP 399.A N PRO 432.A O no hydrogen 3.054 N/A TRP 399.A NE1 ASP 427.A OD2 no hydrogen 2.896 N/A SER 400.A N ASP 353.A O no hydrogen 2.748 N/A SER 400.A OG GLU 354.A OE1 no hydrogen 2.909 N/A SER 400.A OG LEU 402.A O no hydrogen 3.502 N/A ILE 401.A N THR 434.A O no hydrogen 2.909 N/A ASN 403.A N ALA 357.A O no hydrogen 3.116 N/A GLU 404.A N ALA 436.A O no hydrogen 2.764 N/A GLN 406.A N PHE 360.A O no hydrogen 2.961 N/A CYS 407.A SG TYR 435.A OH no hydrogen 3.273 N/A CYS 407.A SG SER 441.A OG no hydrogen 2.994 N/A CYS 407.A SG SER 446.A OG no hydrogen 3.272 N/A SER 409.A N GLN 406.A O no hydrogen 2.867 N/A SER 409.A OG GLU 410.A O no hydrogen 2.785 N/A THR 412.A N SER 409.A O no hydrogen 3.221 N/A THR 412.A OG1 SER 409.A O no hydrogen 2.656 N/A GLU 413.A N GLU 413.A OE1 no hydrogen 3.013 N/A TYR 415.A N GLY 411.A O no hydrogen 3.423 N/A TYR 415.A OH HIS 379.A ND1 no hydrogen 2.811 N/A PHE 416.A N THR 412.A O no hydrogen 2.750 N/A LYS 417.A N GLU 413.A O no hydrogen 2.821 N/A LYS 417.A NZ ASP 421.A OD2 no hydrogen 3.419 N/A THR 418.A N ALA 414.A O no hydrogen 3.177 N/A THR 418.A OG1 ALA 414.A O no hydrogen 2.986 N/A LEU 419.A N TYR 415.A O no hydrogen 3.337 N/A PHE 420.A N PHE 416.A O no hydrogen 2.818 N/A ASP 421.A N LYS 417.A O no hydrogen 2.859 N/A LEU 422.A N THR 418.A O no hydrogen 2.984 N/A ALA 423.A N LEU 419.A O no hydrogen 2.934 N/A HIS 424.A N PHE 420.A O no hydrogen 3.118 N/A GLU 425.A N ASP 421.A O no hydrogen 2.982 N/A LEU 426.A N LEU 422.A O no hydrogen 2.905 N/A ASP 427.A N ALA 423.A O no hydrogen 3.350 N/A GLN 429.A N ASP 427.A OD1 no hydrogen 2.908 N/A GLN 429.A NE2 VAL 192.A O no hydrogen 3.133 N/A LYS 430.A N ASP 427.A O no hydrogen 3.051 N/A LYS 430.A NZ HIS 424.A O no hydrogen 2.961 N/A LYS 430.A NZ ASP 427.A O no hydrogen 3.014 N/A ARG 431.A N ASP 427.A OD2 no hydrogen 2.809 N/A ARG 431.A NE ASP 427.A OD1 no hydrogen 3.423 N/A ARG 431.A NE ASP 427.A OD2 no hydrogen 2.878 N/A ARG 431.A NH1 LYS 391.A O no hydrogen 2.910 N/A ARG 431.A NH1 VAL 396.A O no hydrogen 3.087 N/A ARG 431.A NH2 LYS 391.A O no hydrogen 2.562 N/A ARG 431.A NH2 ASP 427.A OD1 no hydrogen 2.695 N/A ARG 433.A N ASP 453.A OD2 no hydrogen 2.691 N/A ARG 433.A NE ASP 453.A OD2 no hydrogen 2.815 N/A ARG 433.A NH1 PHE 420.A O no hydrogen 2.843 N/A ARG 433.A NH2 ASP 453.A OD1 no hydrogen 2.784 N/A ARG 433.A NH2 ASP 453.A OD2 no hydrogen 3.509 N/A THR 434.A N TRP 399.A O no hydrogen 2.882 N/A THR 434.A OG1 PHE 454.A O no hydrogen 2.685 N/A THR 434.A OG1 SER 456.A OG no hydrogen 2.520 N/A ALA 436.A N LEU 402.A O no hydrogen 3.016 N/A VAL 437.A N SER 456.A O no hydrogen 2.781 N/A SER 441.A N VAL 438.A O no hydrogen 3.037 N/A LEU 442.A N ASN 445.A OD1 no hydrogen 2.585 N/A ASN 445.A N LEU 442.A O no hydrogen 3.261 N/A ASN 445.A ND2 MET 440.A O no hydrogen 3.372 N/A SER 446.A N LEU 442.A O no hydrogen 3.028 N/A LYS 447.A N CYS 407.A O no hydrogen 2.745 N/A LYS 447.A NZ GLU 410.A OE1 no hydrogen 3.002 N/A GLY 448.A N SER 446.A OG no hydrogen 3.228 N/A GLN 449.A N SER 446.A OG no hydrogen 3.065 N/A GLN 450.A NE2 LYS 447.A O no hydrogen 2.972 N/A PHE 451.A N GLY 448.A O no hydrogen 2.909 N/A ALA 452.A N GLN 449.A O no hydrogen 3.098 N/A ASP 453.A N ARG 433.A O no hydrogen 2.839 N/A ILE 455.A N PRO 493.A O no hydrogen 3.158 N/A SER 456.A OG THR 434.A OG1 no hydrogen 2.520 N/A LEU 457.A N ILE 495.A O no hydrogen 3.011 N/A ASN 458.A N VAL 437.A O no hydrogen 3.072 N/A ASN 458.A ND2 ASN 403.A OD1 no hydrogen 3.190 N/A ASN 458.A ND2 GLU 404.A OE2 no hydrogen 3.058 N/A ARG 459.A N GLU 498.A O no hydrogen 3.017 N/A ARG 459.A NE GLU 481.A OE1 no hydrogen 3.279 N/A ARG 459.A NE GLU 481.A OE2 no hydrogen 3.206 N/A ARG 459.A NH1 VAL 437.A O no hydrogen 2.938 N/A ARG 459.A NH1 ASN 458.A O no hydrogen 2.768 N/A ARG 459.A NH2 GLU 481.A OE2 no hydrogen 2.817 N/A TYR 460.A OH GLU 498.A OE1 no hydrogen 2.651 N/A TYR 461.A OH GLU 481.A OE1 no hydrogen 2.552 N/A GLY 462.A N VAL 465.A O no hydrogen 2.747 N/A TRP 463.A N TYR 460.A O no hydrogen 2.903 N/A VAL 465.A N TYR 460.A O no hydrogen 3.343 N/A GLY 468.A N TYR 519.A OH no hydrogen 2.771 N/A GLY 470.A N GLY 467.A O no hydrogen 3.096 N/A ILE 471.A N GLY 468.A O no hydrogen 3.035 N/A ALA 474.A N GLY 470.A O no hydrogen 2.895 N/A GLU 475.A N ILE 471.A O no hydrogen 2.972 N/A ALA 476.A N VAL 472.A O no hydrogen 3.229 N/A ALA 477.A N ASP 473.A O no hydrogen 2.886 N/A PHE 478.A N ALA 474.A O no hydrogen 2.773 N/A ARG 479.A N GLU 475.A O no hydrogen 2.904 N/A ARG 479.A NE GLU 475.A OE2 no hydrogen 3.000 N/A ARG 479.A NH1 SER 533.A OG no hydrogen 2.984 N/A ARG 479.A NH2 GLU 475.A OE2 no hydrogen 2.895 N/A LYS 480.A N ALA 476.A O no hydrogen 3.068 N/A GLU 481.A N ALA 477.A O no hydrogen 3.070 N/A MET 482.A N PHE 478.A O no hydrogen 2.949 N/A ASN 483.A N ARG 479.A O no hydrogen 2.971 N/A GLY 484.A N LYS 480.A O no hydrogen 3.243 N/A TRP 485.A N GLU 481.A O no hydrogen 2.975 N/A TRP 485.A NE1 GLU 481.A OE2 no hydrogen 2.846 N/A ALA 486.A N MET 482.A O no hydrogen 3.051 N/A GLN 487.A N GLY 484.A O no hydrogen 3.077 N/A VAL 488.A N TRP 485.A O no hydrogen 3.042 N/A LEU 489.A N TRP 485.A O no hydrogen 3.022 N/A ARG 492.A N LEU 489.A O no hydrogen 2.926 N/A ARG 492.A NE LEU 489.A O no hydrogen 2.965 N/A ARG 492.A NH1 GLN 449.A O no hydrogen 2.906 N/A ARG 492.A NH1 ALA 452.A O no hydrogen 2.842 N/A ARG 492.A NH2 GLN 449.A OE1 no hydrogen 2.755 N/A ARG 492.A NH2 VAL 488.A O no hydrogen 2.980 N/A MET 494.A N PHE 536.A O no hydrogen 2.897 N/A ILE 495.A N ILE 455.A O no hydrogen 2.825 N/A PHE 496.A N GLY 539.A O no hydrogen 3.163 N/A THR 497.A N LEU 457.A O no hydrogen 2.932 N/A THR 497.A OG1 LEU 457.A O no hydrogen 3.305 N/A THR 497.A OG1 ASN 458.A OD1 no hydrogen 2.579 N/A GLU 498.A N LEU 457.A O no hydrogen 3.390 N/A TYR 499.A OH HIS 528.A NE2 no hydrogen 2.864 N/A GLY 500.A N TYR 523.A OH no hydrogen 2.924 N/A THR 503.A N LYS 561.A O no hydrogen 2.777 N/A THR 503.A OG1 ALA 501.A O no hydrogen 2.957 N/A MET 504.A N TRP 515.A O no hydrogen 3.055 N/A GLU 507.A N MET 504.A O no hydrogen 3.167 N/A HIS 508.A ND1 GLU 518.A OE2 no hydrogen 2.591 N/A LYS 509.A N GLU 518.A OE1 no hydrogen 2.948 N/A SER 512.A OG GLU 522.A OE1 no hydrogen 2.686 N/A VAL 513.A N SER 516.A OG no hydrogen 3.332 N/A SER 516.A N VAL 513.A O no hydrogen 2.824 N/A SER 516.A OG VAL 513.A O no hydrogen 2.661 N/A GLN 517.A N GLU 507.A O no hydrogen 3.053 N/A GLN 517.A NE2 GLU 507.A O no hydrogen 3.143 N/A TYR 519.A N SER 516.A OG no hydrogen 3.171 N/A TYR 519.A OH GLY 462.A O no hydrogen 2.536 N/A GLN 520.A N SER 516.A O no hydrogen 3.192 N/A GLN 520.A NE2 ALA 501.A O no hydrogen 3.425 N/A GLN 520.A NE2 GLY 563.A O no hydrogen 3.388 N/A ASN 521.A N GLN 517.A O no hydrogen 3.134 N/A GLU 522.A N GLU 518.A O no hydrogen 2.971 N/A TYR 523.A N TYR 519.A O no hydrogen 2.677 N/A LEU 524.A N GLN 520.A O no hydrogen 2.860 N/A ASP 525.A N ASN 521.A O no hydrogen 2.885 N/A MET 526.A N GLU 522.A O no hydrogen 3.024 N/A ASN 527.A N TYR 523.A O no hydrogen 3.145 N/A ASN 527.A ND2 TYR 461.A O no hydrogen 3.602 N/A ASN 527.A ND2 TYR 523.A O no hydrogen 2.830 N/A HIS 528.A N LEU 524.A O no hydrogen 2.868 N/A HIS 528.A NE2 TYR 499.A OH no hydrogen 2.864 N/A ASN 529.A N ASP 525.A O no hydrogen 2.951 N/A VAL 530.A N MET 526.A O no hydrogen 3.155 N/A PHE 531.A N ASN 527.A O no hydrogen 2.819 N/A ASP 532.A N HIS 528.A O no hydrogen 2.902 N/A SER 533.A N VAL 530.A O no hydrogen 3.008 N/A SER 533.A OG ASN 529.A O no hydrogen 2.822 N/A TYR 534.A N PHE 531.A O no hydrogen 3.146 N/A TYR 534.A OH ASN 483.A OD1 no hydrogen 2.778 N/A ASN 535.A ND2 GLN 593.A O no hydrogen 3.429 N/A VAL 537.A N TYR 534.A O no hydrogen 3.203 N/A GLN 538.A N MET 494.A O no hydrogen 2.729 N/A GLN 538.A NE2 ASN 535.A O no hydrogen 3.052 N/A GLN 538.A NE2 LYS 590.A O no hydrogen 3.067 N/A GLU 540.A N LEU 293.A O no hydrogen 2.770 N/A LEU 541.A N PHE 496.A O no hydrogen 2.707 N/A VAL 542.A N GLY 295.A O no hydrogen 2.861 N/A TRP 543.A N TYR 499.A O no hydrogen 2.819 N/A ASN 544.A N LYS 562.A O no hydrogen 3.181 N/A ASN 544.A ND2 LYS 298.A O no hydrogen 3.272 N/A PHE 545.A N GLY 297.A O no hydrogen 3.081 N/A ALA 546.A N ASN 544.A OD1 no hydrogen 3.029 N/A ASP 547.A N PHE 565.A O no hydrogen 3.151 N/A PHE 548.A N ASN 560.A O no hydrogen 3.269 N/A GLN 549.A N ASP 301.A OD2 no hydrogen 3.011 N/A GLN 549.A NE2 THR 550.A O no hydrogen 3.654 N/A GLN 549.A NE2 ASN 558.A OD1 no hydrogen 3.038 N/A THR 550.A OG1 THR 551.A O no hydrogen 2.876 N/A ARG 556.A N GLY 553.A O no hydrogen 3.266 N/A ARG 556.A NE ASP 166.A OD1 no hydrogen 2.831 N/A ARG 556.A NE ASP 166.A OD2 no hydrogen 3.304 N/A ARG 556.A NH1 LEU 555.A O no hydrogen 3.138 N/A ARG 556.A NH2 ASP 166.A OD1 no hydrogen 3.321 N/A ARG 556.A NH2 ASP 166.A OD2 no hydrogen 2.795 N/A ARG 556.A NH2 TYR 464.A OH no hydrogen 3.176 N/A ASN 560.A N PHE 548.A O no hydrogen 2.804 N/A ASN 560.A ND2 ASP 166.A OD2 no hydrogen 2.922 N/A LYS 561.A N ASP 502.A OD2 no hydrogen 2.848 N/A LYS 561.A NZ VAL 557.A O no hydrogen 2.854 N/A LYS 562.A N ASN 560.A OD1 no hydrogen 2.904 N/A LYS 562.A NZ TYR 464.A OH no hydrogen 2.885 N/A LYS 562.A NZ ASP 502.A OD1 no hydrogen 2.539 N/A GLY 563.A N ASP 547.A OD1 no hydrogen 2.871 N/A ILE 564.A N ASN 544.A O no hydrogen 2.864 N/A PHE 565.A N PHE 545.A O no hydrogen 3.076 N/A THR 566.A N GLN 570.A O no hydrogen 2.733 N/A THR 566.A OG1 GLN 570.A O no hydrogen 3.399 N/A ARG 567.A NE ASP 301.A OD1 no hydrogen 2.780 N/A ARG 567.A NH1 ASP 303.A OD1 no hydrogen 3.061 N/A ARG 567.A NH2 TYR 170.A OH no hydrogen 3.173 N/A ARG 567.A NH2 ASP 301.A OD1 no hydrogen 3.315 N/A ARG 567.A NH2 ASP 301.A OD2 no hydrogen 2.880 N/A GLN 568.A NE2 ASP 303.A OD2 no hydrogen 2.812 N/A ARG 569.A N THR 566.A O no hydrogen 2.821 N/A ARG 569.A NE ASP 317.A OD1 no hydrogen 2.732 N/A ARG 569.A NH1 ASP 301.A O no hydrogen 3.273 N/A ARG 569.A NH1 ARG 567.A O no hydrogen 2.964 N/A ARG 569.A NH2 ASP 301.A O no hydrogen 3.260 N/A ARG 569.A NH2 ASP 317.A OD2 no hydrogen 2.953 N/A GLN 570.A N THR 566.A OG1 no hydrogen 3.182 N/A LYS 572.A N ILE 564.A O no hydrogen 3.059 N/A LYS 572.A NZ THR 503.A O no hydrogen 2.861 N/A LYS 572.A NZ ASP 547.A OD1 no hydrogen 2.640 N/A LYS 572.A NZ ASP 547.A OD2 no hydrogen 3.248 N/A LYS 572.A NZ GLY 563.A O no hydrogen 2.833 N/A ASP 573.A N GLN 517.A OE1 no hydrogen 3.021 N/A ALA 575.A N LYS 572.A O no hydrogen 2.857 N/A PHE 576.A N ASP 573.A O no hydrogen 3.021 N/A LEU 577.A N ASP 573.A O no hydrogen 3.378 N/A PHE 578.A N ALA 574.A O no hydrogen 2.950 N/A ARG 579.A N ALA 575.A O no hydrogen 2.927 N/A ARG 579.A NE TRP 323.A O no hydrogen 2.968 N/A ALA 580.A N PHE 576.A O no hydrogen 3.081 N/A ARG 581.A N LEU 577.A O no hydrogen 3.114 N/A ARG 581.A NE GLU 540.A OE2 no hydrogen 2.854 N/A ARG 581.A NH1 ASP 532.A OD2 no hydrogen 3.077 N/A ARG 581.A NH2 ASP 532.A OD1 no hydrogen 2.941 N/A ARG 581.A NH2 ASP 532.A OD2 no hydrogen 3.404 N/A ARG 581.A NH2 GLU 540.A OE1 no hydrogen 2.987 N/A TRP 582.A N PHE 578.A O no hydrogen 2.715 N/A TRP 582.A NE1 GLU 540.A OE2 no hydrogen 2.793 N/A THR 583.A N ARG 579.A O no hydrogen 3.123 N/A THR 583.A OG1 ARG 579.A O no hydrogen 2.733 N/A SER 584.A N ARG 581.A O no hydrogen 3.195 N/A SER 584.A OG ALA 580.A O no hydrogen 3.104 N/A SER 584.A OG ARG 581.A O no hydrogen 3.130 N/A LEU 585.A N ARG 581.A O no hydrogen 3.124 N/A TYR 589.A N PRO 586.A O no hydrogen 2.987 N/A TYR 589.A OH ASP 532.A OD1 no hydrogen 2.675 N/A LYS 590.A NZ PHE 531.A O no hydrogen 3.125 N/A LYS 590.A NZ TYR 534.A O no hydrogen 2.740 N/A LYS 590.A NZ VAL 537.A O no hydrogen 2.812 N/A GLY 591.A N ASP 588.A O no hydrogen 2.696 N/A GLN 593.A N LYS 590.A O no hydrogen 3.256 N/A