Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLN 16.A OE1 no hydrogen 3.516 N/A GLN 2.A N.A PHE 15.A O no hydrogen 2.668 N/A GLN 2.A N.B PHE 15.A O no hydrogen 2.677 N/A LEU 4.A N MET 13.A O no hydrogen 2.835 N/A THR 5.A OG1.A SER 6.A O no hydrogen 3.565 N/A SER 6.A N LEU 11.A O no hydrogen 2.992 N/A SER 6.A OG ASP 8.A OD1 no hydrogen 2.265 N/A SER 6.A OG ASN 110.A OD1 no hydrogen 3.536 N/A ASP 8.A N ASN 110.A OD1 no hydrogen 2.715 N/A ASN 9.A N SER 6.A O no hydrogen 2.773 N/A ASN 10.A N ASP 8.A OD1 no hydrogen 2.314 N/A ASN 10.A ND2 ASP 8.A OD2 no hydrogen 2.770 N/A LEU 11.A N SER 6.A OG no hydrogen 3.059 N/A VAL 12.A N THR 28.A O no hydrogen 3.054 N/A MET 13.A N LEU 4.A O no hydrogen 2.767 N/A THR 14.A N GLU 26.A O no hydrogen 3.037 N/A PHE 15.A N GLN 2.A O.A no hydrogen 2.709 N/A PHE 15.A N GLN 2.A O.B no hydrogen 2.856 N/A GLN 16.A N THR 24.A O no hydrogen 3.008 N/A ASP 18.A N ALA 22.A O no hydrogen 2.948 N/A LYS 20.A NZ ASP 18.A OD2 no hydrogen 3.248 N/A GLY 21.A N ASP 18.A O no hydrogen 3.018 N/A ALA 22.A N ASP 18.A OD1 no hydrogen 3.052 N/A THR 24.A N GLN 16.A O no hydrogen 2.748 N/A THR 24.A OG1.A ALA 22.A O no hydrogen 3.383 N/A THR 24.A OG1.B GLN 16.A O no hydrogen 3.328 N/A TYR 25.A N SER 38.A O no hydrogen 2.979 N/A TYR 25.A OH GLN 136.A O no hydrogen 2.805 N/A GLU 26.A N THR 14.A O no hydrogen 2.952 N/A LEU 27.A N ILE 35.A O no hydrogen 3.012 N/A THR 28.A N VAL 12.A O no hydrogen 2.997 N/A THR 28.A OG1 VAL 12.A O no hydrogen 3.530 N/A TYR 29.A N LYS 32.A O no hydrogen 2.729 N/A LYS 30.A N ASN 10.A O no hydrogen 2.868 N/A LYS 30.A NZ.B TYR 29.A OH no hydrogen 3.525 N/A LYS 30.A NZ.B ASP 257.A OD2 no hydrogen 2.558 N/A LYS 32.A N TYR 29.A O no hydrogen 2.679 N/A LYS 32.A NZ ASP 199.A O no hydrogen 2.795 N/A VAL 34.A N LEU 27.A O no hydrogen 2.765 N/A ILE 35.A N LEU 27.A O no hydrogen 3.074 N/A LYS 36.A N GLY 138.A O no hydrogen 2.768 N/A SER 38.A N TYR 25.A O no hydrogen 2.949 N/A SER 38.A OG LYS 36.A O no hydrogen 2.539 N/A THR 39.A N GLN 136.A OE1 no hydrogen 2.908 N/A THR 39.A OG1.B HIS 134.A O no hydrogen 3.030 N/A LEU 40.A N PRO 23.A O no hydrogen 2.873 N/A GLY 41.A N TYR 117.A OH no hydrogen 2.910 N/A LEU 42.A N LEU 54.A O no hydrogen 3.038 N/A GLU 43.A N GLU 132.A O no hydrogen 2.802 N/A LEU 44.A N THR 52.A O no hydrogen 2.779 N/A LYS 45.A N VAL 129.A O no hydrogen 2.743 N/A LYS 45.A NZ ASP 238.A OD2 no hydrogen 2.818 N/A LYS 51.A NZ GLU 47.A OE1 no hydrogen 3.398 N/A THR 52.A N ASP 49.A O no hydrogen 2.999 N/A THR 52.A OG1 ASP 49.A O no hydrogen 2.680 N/A ASN 53.A N SER 50.A O no hydrogen 3.096 N/A ASN 53.A ND2 ASP 56.A OD1 no hydrogen 2.811 N/A LEU 54.A N LEU 42.A O no hydrogen 2.994 N/A TYR 55.A N ASN 53.A OD1 no hydrogen 2.868 N/A ASP 56.A N ASN 53.A OD1 no hydrogen 2.971 N/A GLY 57.A N LYS 20.A O no hydrogen 2.951 N/A PHE 58.A N GLY 21.A O no hydrogen 2.980 N/A GLU 59.A N TYR 94.A O no hydrogen 2.749 N/A LYS 61.A N THR 92.A O no hydrogen 2.751 N/A ASP 62.A N THR 92.A O no hydrogen 3.454 N/A GLN 64.A N ALA 90.A O no hydrogen 2.857 N/A ALA 66.A N GLU 88.A O no hydrogen 3.107 N/A THR 67.A OG1 ASN 87.A OD1 no hydrogen 2.788 N/A PHE 68.A N TYR 86.A O no hydrogen 2.976 N/A GLU 70.A N ASN 84.A O no hydrogen 3.170 N/A TRP 72.A N ILE 82.A O no hydrogen 2.834 N/A GLN 73.A NE2 GLU 81.A OE1 no hydrogen 3.229 N/A TRP 76.A NE1 PRO 482.A O no hydrogen 2.915 N/A GLY 77.A N ASP 585.A OD1 no hydrogen 2.975 N/A LYS 80.A N ASP 587.A O no hydrogen 2.906 N/A ILE 82.A N TRP 72.A O no hydrogen 2.769 N/A ARG 83.A NE ASP 69.A OD1 no hydrogen 2.818 N/A ARG 83.A NH2 ASP 69.A OD1 no hydrogen 3.422 N/A ARG 83.A NH2 ASP 69.A OD2 no hydrogen 2.714 N/A ASN 84.A N GLU 70.A O no hydrogen 2.849 N/A TYR 86.A N PHE 68.A O no hydrogen 2.913 N/A ASN 87.A N LEU 108.A O no hydrogen 2.967 N/A ASN 87.A ND2 THR 5.A O no hydrogen 2.714 N/A GLU 88.A N ALA 66.A O no hydrogen 2.703 N/A LEU 89.A N PHE 106.A O no hydrogen 2.952 N/A ALA 90.A N GLN 64.A O no hydrogen 2.772 N/A VAL 91.A N ILE 104.A O no hydrogen 3.047 N/A THR 92.A N ASP 62.A O no hydrogen 2.832 N/A LEU 93.A N ILE 102.A O no hydrogen 2.855 N/A TYR 94.A N GLU 59.A O no hydrogen 2.783 N/A TYR 94.A OH ASP 99.A OD1 no hydrogen 2.581 N/A GLN 95.A N ARG 100.A O no hydrogen 2.873 N/A GLN 95.A NE2 ASN 53.A O no hydrogen 3.172 N/A ASN 98.A N GLN 95.A O no hydrogen 3.033 N/A ASN 98.A ND2 SER 50.A OG no hydrogen 2.736 N/A ASP 99.A N PRO 96.A O no hydrogen 3.094 N/A ARG 100.A N GLN 95.A O no hydrogen 3.444 N/A ARG 100.A NH1 LYS 51.A O no hydrogen 3.169 N/A ARG 100.A NH2 LYS 51.A O no hydrogen 2.786 N/A ARG 100.A NH2 ASN 53.A O no hydrogen 2.654 N/A SER 101.A N GLN 122.A OE1 no hydrogen 2.895 N/A ILE 102.A N LEU 93.A O no hydrogen 3.017 N/A VAL 103.A N GLU 118.A O no hydrogen 2.978 N/A ILE 104.A N VAL 91.A O no hydrogen 2.994 N/A ARG 105.A N ARG 116.A O no hydrogen 3.039 N/A ARG 105.A NE GLU 118.A OE1 no hydrogen 3.430 N/A ARG 105.A NE GLU 118.A OE2 no hydrogen 2.682 N/A ARG 105.A NH1 GLU 88.A OE2 no hydrogen 2.814 N/A ARG 105.A NH2 GLU 118.A OE1 no hydrogen 2.999 N/A PHE 106.A N LEU 89.A O no hydrogen 2.765 N/A ARG 107.A N GLY 114.A O no hydrogen 2.846 N/A ARG 107.A NE GLU 88.A OE1 no hydrogen 2.797 N/A ARG 107.A NH2 GLU 88.A OE1 no hydrogen 3.328 N/A LEU 108.A N ASN 87.A O no hydrogen 2.805 N/A PHE 109.A N GLY 112.A O no hydrogen 2.787 N/A GLY 112.A N PHE 109.A O no hydrogen 3.302 N/A LEU 113.A N ILE 253.A O no hydrogen 2.879 N/A GLY 114.A N ARG 107.A O no hydrogen 2.872 N/A PHE 115.A N ARG 251.A O no hydrogen 2.934 N/A ARG 116.A N ARG 105.A O no hydrogen 3.036 N/A ARG 116.A NE GLU 118.A OE2 no hydrogen 2.800 N/A ARG 116.A NH2 GLU 118.A OE2 no hydrogen 2.995 N/A TYR 117.A N THR 248.A OG1 no hydrogen 2.939 N/A TYR 117.A OH SER 135.A OG no hydrogen 2.453 N/A GLU 118.A N VAL 103.A O no hydrogen 2.684 N/A PHE 119.A N CYS 246.A O no hydrogen 2.753 N/A GLN 122.A NE2 SER 101.A O no hydrogen 3.009 N/A GLN 122.A NE2 PRO 120.A O no hydrogen 2.750 N/A LEU 125.A N GLN 122.A O no hydrogen 3.439 N/A ASN 126.A ND2.A GLN 122.A O no hydrogen 2.986 N/A ASN 126.A ND2.A LYS 123.A O no hydrogen 3.331 N/A PHE 128.A N MET 242.A O no hydrogen 3.032 N/A ILE 130.A N GLY 240.A O no hydrogen 2.879 N/A LYS 131.A N GLU 43.A O no hydrogen 2.718 N/A GLU 132.A N GLU 43.A O no hydrogen 3.151 N/A HIS 134.A N GLY 41.A O no hydrogen 2.666 N/A HIS 134.A ND1 GLU 228.A OE2 no hydrogen 2.639 N/A SER 135.A N SER 229.A OG no hydrogen 2.904 N/A SER 135.A OG TYR 117.A OH no hydrogen 2.453 N/A SER 135.A OG GLU 133.A OE2 no hydrogen 2.620 N/A GLN 136.A N THR 39.A O no hydrogen 3.077 N/A PHE 137.A N PHE 227.A O no hydrogen 2.867 N/A GLY 138.A N SER 38.A OG no hydrogen 2.922 N/A MET 139.A N MET 225.A O no hydrogen 2.838 N/A HIS 143.A N GLY 141.A O no hydrogen 2.961 N/A ILE 144.A N LYS 196.A O no hydrogen 3.015 N/A ALA 145.A N SER 162.A O no hydrogen 2.616 N/A PHE 146.A N MET 194.A O no hydrogen 2.922 N/A TRP 147.A N THR 160.A O no hydrogen 3.011 N/A TRP 147.A NE1 SER 162.A OG no hydrogen 3.042 N/A GLY 150.A N GLY 188.A O no hydrogen 2.817 N/A TYR 152.A N THR 182.A O no hydrogen 3.012 N/A ASP 153.A N ASP 151.A OD1 no hydrogen 2.769 N/A THR 154.A N ASP 151.A OD1 no hydrogen 3.109 N/A GLN 155.A NE2 ALA 471.A O no hydrogen 3.072 N/A GLU 156.A N THR 154.A OG1 no hydrogen 2.964 N/A TYR 157.A OH ASP 151.A OD2 no hydrogen 2.507 N/A TYR 157.A OH GLN 181.A OE1 no hydrogen 3.056 N/A THR 160.A N TRP 147.A O no hydrogen 2.927 N/A SER 162.A N ALA 145.A O no hydrogen 3.100 N/A SER 162.A OG ARG 163.A O no hydrogen 2.911 N/A ARG 163.A N GLU 166.A OE1 no hydrogen 2.727 N/A ARG 163.A NH1 ASP 142.A O no hydrogen 2.773 N/A ARG 163.A NH1 ASP 198.A OD1 no hydrogen 2.906 N/A ARG 163.A NH1 ASP 198.A OD2 no hydrogen 3.404 N/A ARG 163.A NH2 ASP 198.A OD1 no hydrogen 3.099 N/A LEU 164.A N HIS 143.A O no hydrogen 2.983 N/A SER 165.A N ASP 142.A OD1 no hydrogen 2.898 N/A SER 165.A OG ASP 142.A OD1 no hydrogen 3.458 N/A SER 165.A OG ASP 142.A OD2 no hydrogen 2.476 N/A GLU 166.A N ARG 163.A O no hydrogen 3.038 N/A ILE 167.A N LEU 164.A O no hydrogen 3.419 N/A ARG 168.A NE ASP 222.A OD2 no hydrogen 2.933 N/A ARG 168.A NH1 GLN 186.A OE1 no hydrogen 3.238 N/A ARG 168.A NH2 ASP 222.A OD1 no hydrogen 3.172 N/A LEU 170.A N GLU 166.A O no hydrogen 3.161 N/A LEU 170.A N ILE 167.A O no hydrogen 2.933 N/A MET 171.A N ILE 167.A O no hydrogen 2.852 N/A ALA 174.A N LEU 170.A O no hydrogen 2.930 N/A ILE 175.A N MET 171.A O no hydrogen 3.032 N/A ASN 178.A ND2 GLU 156.A OE1 no hydrogen 3.334 N/A SER 179.A OG.C ASN 178.A OD1 no hydrogen 3.425 N/A SER 180.A N ASN 178.A OD1 no hydrogen 3.011 N/A SER 180.A OG GLY 434.A O no hydrogen 3.499 N/A SER 180.A OG HIS 443.A NE2 no hydrogen 3.324 N/A THR 182.A N ASP 151.A OD1 no hydrogen 2.759 N/A THR 182.A OG1 ASP 153.A OD2 no hydrogen 2.597 N/A SER 185.A OG ASN 219.A OD1 no hydrogen 2.675 N/A GLN 186.A NE2 ARG 168.A O no hydrogen 3.499 N/A THR 187.A N SER 185.A OG no hydrogen 3.027 N/A THR 187.A OG1 ASN 219.A OD1 no hydrogen 3.466 N/A THR 187.A OG1 LEU 220.A O no hydrogen 2.600 N/A GLY 188.A N SER 185.A O no hydrogen 3.103 N/A VAL 189.A N LEU 218.A O no hydrogen 2.799 N/A GLN 190.A N ILE 148.A O no hydrogen 3.156 N/A GLN 190.A NE2 PRO 149.A O no hydrogen 2.740 N/A GLN 190.A NE2 THR 154.A O no hydrogen 2.910 N/A LEU 193.A N LEU 205.A O no hydrogen 2.810 N/A MET 195.A N ILE 203.A O no hydrogen 2.679 N/A LYS 196.A N ILE 144.A O no hydrogen 2.902 N/A LYS 196.A NZ GLU 595.A OE2 no hydrogen 2.849 N/A THR 197.A N LEU 201.A O no hydrogen 2.927 N/A THR 197.A OG1 ASP 199.A OD1.A no hydrogen 2.523 N/A THR 197.A OG1 ASP 199.A OD2.B no hydrogen 2.957 N/A GLY 200.A N THR 197.A O no hydrogen 3.091 N/A LEU 201.A N THR 197.A OG1 no hydrogen 2.973 N/A TYR 202.A N SER 256.A O no hydrogen 2.828 N/A TYR 202.A OH GLU 595.A OE1 no hydrogen 2.381 N/A TYR 202.A OH GLU 595.A OE2 no hydrogen 3.293 N/A ILE 203.A N MET 195.A O no hydrogen 2.879 N/A ASN 204.A N ILE 254.A O no hydrogen 2.828 N/A LEU 205.A N LEU 193.A O no hydrogen 2.971 N/A HIS 206.A N THR 252.A O no hydrogen 3.154 N/A ALA 208.A N TRP 250.A O no hydrogen 2.977 N/A ALA 209.A N THR 475.A O no hydrogen 2.907 N/A LEU 210.A N THR 475.A OG1 no hydrogen 3.044 N/A TYR 213.A OH GLU 133.A OE1 no hydrogen 2.784 N/A SER 214.A OG THR 232.A O no hydrogen 2.607 N/A CYS 215.A N TYR 444.A O no hydrogen 3.140 N/A CYS 215.A SG GLU 207.A OE1 no hydrogen 3.890 N/A CYS 215.A SG MET 216.A O no hydrogen 4.012 N/A MET 216.A N GLU 207.A OE1 no hydrogen 2.933 N/A HIS 217.A N TRP 230.A O no hydrogen 2.860 N/A HIS 217.A NE2 THR 232.A OG1 no hydrogen 2.941 N/A LEU 218.A N VAL 189.A O no hydrogen 2.919 N/A ASN 219.A N GLU 228.A O no hydrogen 2.887 N/A LEU 220.A N THR 187.A O no hydrogen 2.885 N/A ASP 221.A N VAL 226.A O no hydrogen 2.870 N/A LYS 223.A N ASP 221.A OD1 no hydrogen 3.152 N/A ASN 224.A N ASP 221.A OD1 no hydrogen 3.014 N/A VAL 226.A N ASP 221.A O no hydrogen 3.243 N/A PHE 227.A N PHE 137.A O no hydrogen 3.064 N/A GLU 228.A N ASN 219.A O no hydrogen 2.884 N/A SER 229.A N SER 135.A O no hydrogen 2.829 N/A SER 229.A OG GLU 133.A O no hydrogen 2.862 N/A SER 229.A OG SER 135.A O no hydrogen 3.545 N/A TRP 230.A N HIS 217.A O no hydrogen 2.908 N/A TRP 230.A NE1 TYR 152.A OH no hydrogen 2.757 N/A THR 232.A N CYS 215.A O no hydrogen 3.129 N/A THR 232.A OG1 CYS 215.A O no hydrogen 2.980 N/A THR 232.A OG1 HIS 217.A NE2 no hydrogen 2.941 N/A ASP 234.A N ASP 238.A O no hydrogen 2.690 N/A ALA 235.A N GLU 441.A OE2 no hydrogen 2.975 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 2.825 N/A GLY 237.A N ASP 234.A O no hydrogen 3.011 N/A ASP 238.A N ASP 234.A OD1 no hydrogen 2.889 N/A LYS 239.A N ILE 130.A O no hydrogen 2.925 N/A LYS 239.A NZ GLU 132.A OE1 no hydrogen 2.732 N/A LYS 239.A NZ GLU 132.A OE2 no hydrogen 3.202 N/A LYS 239.A NZ LEU 231.A O no hydrogen 2.925 N/A TYR 241.A N GLN 446.A OE1 no hydrogen 2.840 N/A MET 242.A N PHE 128.A O no hydrogen 2.788 N/A THR 244.A N ASN 126.A O no hydrogen 2.924 N/A THR 244.A OG1 LEU 125.A O no hydrogen 2.767 N/A CYS 246.A N PHE 119.A O no hydrogen 3.169 N/A THR 248.A N TYR 117.A O no hydrogen 2.799 N/A THR 248.A OG1 PRO 249.A O no hydrogen 2.855 N/A TRP 250.A N ALA 208.A O no hydrogen 2.909 N/A ARG 251.A N PHE 115.A O no hydrogen 2.667 N/A ARG 251.A NE GLU 133.A OE2 no hydrogen 2.690 N/A ARG 251.A NH1 GLU 207.A OE2 no hydrogen 2.999 N/A ARG 251.A NH1 TRP 250.A O no hydrogen 3.250 N/A ARG 251.A NH2 GLU 133.A OE1 no hydrogen 2.830 N/A ARG 251.A NH2 GLU 133.A OE2 no hydrogen 3.476 N/A THR 252.A N HIS 206.A O no hydrogen 2.877 N/A ILE 253.A N LEU 113.A O no hydrogen 2.790 N/A ILE 254.A N ASN 204.A O no hydrogen 2.889 N/A VAL 255.A N ASP 111.A O no hydrogen 2.910 N/A SER 256.A N TYR 202.A O no hydrogen 3.225 N/A SER 256.A OG ASP 258.A O no hydrogen 3.246 N/A ASP 257.A N TYR 29.A OH no hydrogen 3.075 N/A ASP 258.A N SER 256.A OG no hydrogen 2.902 N/A ARG 260.A N ASP 258.A OD1 no hydrogen 2.916 N/A ARG 260.A NE ASP 258.A OD1 no hydrogen 3.085 N/A ARG 260.A NE ASP 258.A OD2 no hydrogen 3.372 N/A ARG 260.A NH1 LEU 592.A O no hydrogen 2.915 N/A ARG 260.A NH2 ASP 258.A OD2 no hydrogen 2.897 N/A ASN 261.A N ASP 258.A O no hydrogen 2.847 N/A ILE 262.A N ALA 259.A O no hydrogen 3.128 N/A ALA 264.A N ARG 260.A O no hydrogen 3.187 N/A SER 265.A N ILE 262.A O no hydrogen 3.166 N/A SER 265.A OG ASP 111.A OD2 no hydrogen 2.528 N/A ARG 266.A NE GLU 79.A OE2 no hydrogen 2.881 N/A ARG 266.A NH1 LEU 263.A O no hydrogen 2.861 N/A ARG 266.A NH1 SER 265.A O no hydrogen 2.953 N/A ARG 266.A NH2 GLU 79.A OE1 no hydrogen 2.873 N/A ARG 266.A NH2 TYR 591.A OH no hydrogen 2.709 N/A ILE 267.A N SER 265.A OG no hydrogen 3.317 N/A ASN 270.A N ARG 266.A O no hydrogen 2.844 N/A LEU 271.A N ILE 267.A O no hydrogen 2.950 N/A ASN 272.A N LEU 269.A O no hydrogen 3.083 N/A ASN 272.A ND2 THR 268.A O no hydrogen 2.817 N/A ASN 272.A ND2 THR 475.A O no hydrogen 2.943 N/A CYS 275.A SG ILE 277.A O no hydrogen 3.251 N/A LYS 276.A N THR 480.A O no hydrogen 2.931 N/A ALA 280.A N ILE 277.A O no hydrogen 3.092 N/A SER 282.A N ASP 279.A O no hydrogen 2.886 N/A SER 282.A OG.B ASP 279.A O no hydrogen 2.874 N/A TRP 283.A N ALA 280.A O no hydrogen 2.946 N/A TRP 283.A NE1 ASP 279.A OD1 no hydrogen 2.990 N/A VAL 284.A N ALA 280.A O no hydrogen 2.779 N/A LYS 285.A NZ SER 282.A O no hydrogen 3.472 N/A VAL 287.A N PRO 558.A O no hydrogen 2.846 N/A LYS 288.A N ASP 348.A OD2 no hydrogen 2.901 N/A LYS 288.A NZ ILE 579.A O no hydrogen 2.717 N/A LYS 288.A NZ VAL 582.A O no hydrogen 2.684 N/A TYR 289.A N GLN 560.A O no hydrogen 2.938 N/A TYR 289.A OH ASP 520.A OD1 no hydrogen 2.634 N/A ILE 290.A N ALA 349.A O no hydrogen 3.205 N/A VAL 292.A N LEU 351.A O no hydrogen 2.805 N/A MET 296.A N TRP 293.A O no hydrogen 2.921 N/A ILE 297.A N TRP 293.A O no hydrogen 3.184 N/A THR 298.A N TRP 294.A O no hydrogen 2.950 N/A THR 298.A OG1 TRP 294.A O no hydrogen 2.782 N/A THR 298.A OG1 ASP 295.A O no hydrogen 3.084 N/A GLY 299.A N MET 296.A O no hydrogen 3.122 N/A GLY 301.A N ASP 295.A O no hydrogen 2.988 N/A SER 302.A N LYS 327.A O no hydrogen 2.877 N/A SER 302.A OG.A ALA 304.A O no hydrogen 2.777 N/A SER 302.A OG.B ALA 304.A O no hydrogen 3.341 N/A TRP 303.A NE1 GLU 353.A OE1 no hydrogen 2.913 N/A ALA 304.A N SER 302.A OG.B no hydrogen 2.891 N/A TYR 305.A N GLU 360.A OE2 no hydrogen 2.853 N/A THR 306.A N GLU 360.A OE2 no hydrogen 3.044 N/A THR 306.A OG1 LYS 323.A O no hydrogen 2.787 N/A GLU 308.A N THR 306.A OG1 no hydrogen 3.110 N/A VAL 312.A N ASP 361.A OD2 no hydrogen 2.759 N/A LYS 313.A N THR 317.A OG1 no hydrogen 2.779 N/A GLU 316.A N LYS 313.A O no hydrogen 2.783 N/A THR 317.A N LYS 313.A O no hydrogen 2.748 N/A THR 317.A OG1 LYS 313.A O no hydrogen 3.378 N/A TYR 319.A OH GLU 360.A OE1 no hydrogen 2.627 N/A SER 320.A N ASP 318.A OD1 no hydrogen 3.160 N/A SER 320.A OG ASP 318.A OD1 no hydrogen 2.627 N/A LYS 321.A N ASP 318.A O no hydrogen 2.836 N/A THR 322.A N TYR 319.A O no hydrogen 2.849 N/A THR 322.A OG1 TYR 319.A O no hydrogen 2.555 N/A LYS 323.A N GLU 308.A OE2 no hydrogen 3.019 N/A ASN 325.A N TYR 305.A O no hydrogen 3.016 N/A ASN 325.A ND2 SER 302.A OG.A no hydrogen 3.149 N/A ASN 325.A ND2 ALA 304.A O no hydrogen 3.249 N/A ASN 325.A ND2 ASP 307.A OD1 no hydrogen 3.025 N/A LYS 327.A N ASN 325.A OD1 no hydrogen 2.793 N/A LYS 327.A NZ ASP 307.A OD2 no hydrogen 2.692 N/A SER 329.A OG ASP 295.A OD2 no hydrogen 2.858 N/A ASN 331.A N SER 329.A O no hydrogen 2.825 N/A THR 332.A N ASP 379.A O no hydrogen 2.871 N/A THR 332.A OG1 ASP 379.A O no hydrogen 3.200 N/A ASN 334.A ND2 SER 329.A O no hydrogen 3.043 N/A VAL 335.A N ASN 331.A O no hydrogen 2.864 N/A LYS 336.A N THR 332.A O no hydrogen 2.894 N/A LYS 336.A NZ GLU 384.A OE2 no hydrogen 2.699 N/A ARG 337.A N ALA 333.A O no hydrogen 3.161 N/A ARG 337.A NH2 ASN 334.A OD1 no hydrogen 3.118 N/A TYR 338.A N ASN 334.A O no hydrogen 3.041 N/A ILE 339.A N VAL 335.A O no hydrogen 2.945 N/A ASP 340.A N LYS 336.A O no hydrogen 2.898 N/A PHE 341.A N ARG 337.A O no hydrogen 3.197 N/A ALA 342.A N TYR 338.A O no hydrogen 2.843 N/A ALA 343.A N ILE 339.A O no hydrogen 2.842 N/A ALA 344.A N ASP 340.A O no hydrogen 2.833 N/A HIS 345.A N PHE 341.A O no hydrogen 3.059 N/A HIS 345.A N ALA 342.A O no hydrogen 3.253 N/A PHE 347.A N ALA 342.A O no hydrogen 3.037 N/A ASP 348.A N LYS 288.A O no hydrogen 2.864 N/A ALA 349.A N LYS 288.A O no hydrogen 3.304 N/A VAL 350.A N LYS 395.A O no hydrogen 3.071 N/A LEU 351.A N ILE 290.A O no hydrogen 2.875 N/A GLU 353.A N VAL 292.A O no hydrogen 3.224 N/A TRP 355.A NE1 HIS 399.A O no hydrogen 3.289 N/A GLU 357.A N THR 375.A O no hydrogen 2.839 N/A GLY 358.A N TYR 319.A OH no hydrogen 3.282 N/A TRP 359.A N TYR 377.A OH no hydrogen 2.999 N/A TRP 359.A NE1 ASN 356.A OD1 no hydrogen 2.955 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.796 N/A ASP 361.A N GLY 358.A O no hydrogen 2.995 N/A TRP 362.A N TRP 359.A O no hydrogen 3.180 N/A LYS 367.A NZ VAL 312.A O no hydrogen 2.790 N/A LYS 367.A NZ ASP 361.A OD2 no hydrogen 2.945 N/A VAL 370.A N ASP 368.A O no hydrogen 2.871 N/A VAL 374.A N ASP 372.A OD1 no hydrogen 3.032 N/A THR 375.A N ASP 372.A OD1 no hydrogen 2.992 N/A THR 375.A OG1 ASP 372.A OD1 no hydrogen 3.483 N/A THR 375.A OG1 ASP 372.A OD2 no hydrogen 2.474 N/A TYR 377.A N TRP 355.A O no hydrogen 2.988 N/A TYR 377.A OH GLU 360.A OE1 no hydrogen 2.655 N/A TYR 377.A OH GLU 360.A OE2 no hydrogen 3.185 N/A PHE 380.A N TYR 377.A O no hydrogen 3.157 N/A ASP 381.A N THR 332.A OG1 no hydrogen 2.909 N/A GLU 384.A N ASP 381.A OD1 no hydrogen 3.177 N/A ILE 385.A N ASP 381.A O no hydrogen 2.891 N/A HIS 386.A N VAL 382.A O no hydrogen 2.942 N/A ARG 387.A N LYS 383.A O no hydrogen 2.842 N/A ARG 387.A NH2.A GLU 384.A OE1 no hydrogen 2.508 N/A TYR 388.A N GLU 384.A O no hydrogen 2.938 N/A TYR 388.A OH ASP 340.A OD1 no hydrogen 2.478 N/A ALA 389.A N ILE 385.A O no hydrogen 2.781 N/A ALA 390.A N HIS 386.A O no hydrogen 2.944 N/A ARG 391.A N ARG 387.A O no hydrogen 2.996 N/A LYS 392.A N TYR 388.A O no hydrogen 3.263 N/A LYS 392.A N ALA 389.A O no hydrogen 2.990 N/A LYS 392.A NZ ASP 340.A OD1 no hydrogen 3.014 N/A GLY 393.A N ALA 390.A O no hydrogen 2.973 N/A ILE 394.A N ALA 389.A O no hydrogen 2.829 N/A LYS 395.A N ASP 348.A O no hydrogen 3.050 N/A LYS 395.A NZ GLY 424.A O no hydrogen 3.199 N/A MET 397.A N VAL 350.A O no hydrogen 2.903 N/A MET 398.A N SER 427.A O no hydrogen 2.754 N/A HIS 400.A N LYS 429.A O no hydrogen 2.779 N/A HIS 400.A ND1 TYR 409.A OH no hydrogen 2.701 N/A THR 402.A N GLY 431.A O no hydrogen 2.726 N/A THR 402.A OG1 GLY 431.A O no hydrogen 2.651 N/A SER 403.A N GLU 401.A OE2 no hydrogen 2.812 N/A SER 403.A OG TRP 362.A O no hydrogen 2.714 N/A ALA 404.A N THR 402.A OG1 no hydrogen 2.965 N/A SER 405.A N THR 402.A O no hydrogen 3.066 N/A SER 405.A OG LYS 367.A O no hydrogen 3.560 N/A SER 405.A OG ASP 368.A O no hydrogen 2.686 N/A VAL 406.A N ILE 437.A O no hydrogen 2.746 N/A ARG 407.A NH2 ASP 368.A OD2 no hydrogen 3.052 N/A ASN 408.A ND2 PHE 371.A O no hydrogen 2.942 N/A TYR 409.A N SER 405.A O no hydrogen 3.146 N/A TYR 409.A OH HIS 400.A ND1 no hydrogen 2.701 N/A GLU 410.A N VAL 406.A O no hydrogen 2.912 N/A ARG 411.A N ARG 407.A O no hydrogen 2.813 N/A HIS 412.A N ASN 408.A O no hydrogen 3.341 N/A HIS 412.A N TYR 409.A O no hydrogen 3.101 N/A HIS 412.A ND1 ASN 408.A O no hydrogen 2.808 N/A MET 413.A N GLU 410.A O no hydrogen 3.144 N/A ALA 416.A N HIS 412.A O no hydrogen 2.660 N/A TYR 417.A N MET 413.A O no hydrogen 2.913 N/A TYR 417.A OH ALA 455.A O no hydrogen 2.605 N/A GLN 418.A N ASP 414.A O no hydrogen 2.873 N/A GLN 418.A NE2 ASP 422.A OD1 no hydrogen 2.829 N/A PHE 419.A N LYS 415.A O no hydrogen 2.944 N/A MET 420.A N ALA 416.A O no hydrogen 3.119 N/A ALA 421.A N TYR 417.A O no hydrogen 2.971 N/A ASP 422.A N GLN 418.A O no hydrogen 2.770 N/A ASN 423.A N MET 420.A O no hydrogen 3.021 N/A ASN 423.A ND2 PHE 419.A O no hydrogen 2.738 N/A GLY 424.A N ALA 421.A O no hydrogen 3.344 N/A TYR 425.A N MET 420.A O no hydrogen 2.873 N/A VAL 428.A N MET 465.A O no hydrogen 2.889 N/A LYS 429.A N MET 398.A O no hydrogen 2.886 N/A LYS 429.A NZ.A GLU 353.A OE2 no hydrogen 2.816 N/A LYS 429.A NZ.B GLU 353.A OE2 no hydrogen 2.978 N/A SER 430.A N ASN 467.A O no hydrogen 2.911 N/A GLY 431.A N HIS 400.A O no hydrogen 3.050 N/A TYR 432.A N GLU 470.A OE1 no hydrogen 2.852 N/A VAL 433.A N GLU 401.A OE2 no hydrogen 2.881 N/A ASN 435.A ND2 SER 180.A OG no hydrogen 2.768 N/A ILE 437.A N ALA 404.A O no hydrogen 2.878 N/A ARG 439.A NE SER 366.A OG no hydrogen 2.825 N/A ARG 439.A NH2 SER 366.A O no hydrogen 2.884 N/A GLU 441.A N PRO 438.A O no hydrogen 3.338 N/A HIS 442.A ND1 ASP 153.A OD2 no hydrogen 2.734 N/A HIS 443.A N ASP 153.A OD1 no hydrogen 2.914 N/A HIS 443.A NE2 GLY 434.A O no hydrogen 2.793 N/A TYR 444.A N TYR 152.A O no hydrogen 3.344 N/A GLY 445.A N HIS 442.A O no hydrogen 3.449 N/A GLN 446.A NE2 ASP 212.A O no hydrogen 3.272 N/A GLN 446.A NE2 TYR 241.A O no hydrogen 3.114 N/A ASN 449.A N GLY 445.A O no hydrogen 2.958 N/A ASN 449.A ND2 TYR 213.A O no hydrogen 2.823 N/A ASN 449.A ND2 TYR 444.A O no hydrogen 3.485 N/A ASN 450.A N GLN 446.A O no hydrogen 3.035 N/A HIS 451.A N TRP 447.A O no hydrogen 3.197 N/A TYR 452.A N MET 448.A O no hydrogen 2.844 N/A TYR 452.A OH HIS 443.A O no hydrogen 2.681 N/A LEU 453.A N ASN 449.A O no hydrogen 3.172 N/A TYR 454.A N ASN 450.A O no hydrogen 2.809 N/A ALA 455.A N HIS 451.A O no hydrogen 2.886 N/A VAL 456.A N TYR 452.A O no hydrogen 3.244 N/A LYS 457.A N LEU 453.A O no hydrogen 2.792 N/A LYS 458.A N TYR 454.A O no hydrogen 2.906 N/A LYS 458.A NZ ASP 414.A OD2 no hydrogen 2.879 N/A LYS 458.A NZ TYR 454.A OH no hydrogen 3.036 N/A ALA 459.A N ALA 455.A O no hydrogen 3.004 N/A ALA 460.A N VAL 456.A O no hydrogen 2.973 N/A ASP 461.A N LYS 457.A O no hydrogen 3.361 N/A TYR 462.A N LYS 458.A O no hydrogen 3.310 N/A TYR 462.A N ALA 459.A O no hydrogen 2.902 N/A TYR 462.A OH ASP 414.A OD1 no hydrogen 2.619 N/A LYS 463.A N ALA 460.A O no hydrogen 2.883 N/A LYS 463.A NZ ASP 279.A OD2 no hydrogen 3.092 N/A ILE 464.A N ALA 459.A O no hydrogen 2.843 N/A MET 465.A N ASN 426.A O no hydrogen 2.940 N/A VAL 466.A N ASN 483.A O no hydrogen 2.810 N/A ASN 467.A N VAL 428.A O no hydrogen 2.756 N/A ASN 467.A ND2 ASP 520.A OD2 no hydrogen 2.814 N/A ALA 468.A N GLY 486.A O no hydrogen 3.006 N/A HIS 469.A N SER 430.A O no hydrogen 2.927 N/A HIS 469.A NE2 ASP 520.A OD2 no hydrogen 2.856 N/A THR 472.A OG1 HIS 443.A O no hydrogen 3.450 N/A THR 472.A OG1 ASN 449.A OD1 no hydrogen 2.619 N/A ARG 473.A NE THR 191.A O no hydrogen 2.895 N/A ARG 473.A NE THR 191.A OG1 no hydrogen 3.369 N/A ARG 473.A NH1 ARG 473.A O no hydrogen 2.937 N/A ARG 473.A NH2 THR 191.A OG1 no hydrogen 2.862 N/A ARG 473.A NH2 GLU 207.A OE1 no hydrogen 2.751 N/A GLY 476.A N GLY 516.A O no hydrogen 2.784 N/A ARG 479.A N GLY 476.A O no hydrogen 3.028 N/A ARG 479.A NH1 LEU 269.A O no hydrogen 3.348 N/A THR 480.A OG1 GLU 273.A O no hydrogen 2.706 N/A TYR 481.A N ILE 477.A O no hydrogen 2.780 N/A ASN 483.A ND2 VAL 456.A O no hydrogen 3.207 N/A ASN 483.A ND2 ILE 464.A O no hydrogen 2.891 N/A LEU 484.A N TYR 481.A O no hydrogen 2.994 N/A ILE 485.A N VAL 466.A O no hydrogen 3.131 N/A SER 489.A OG ALA 471.A O no hydrogen 2.779 N/A ARG 491.A NE ASN 501.A OD1 no hydrogen 2.744 N/A ARG 491.A NH1 GLU 156.A O no hydrogen 3.052 N/A ARG 491.A NH2 GLY 500.A O no hydrogen 2.986 N/A THR 493.A N TYR 521.A O no hydrogen 3.235 N/A THR 493.A OG1 TYR 521.A O no hydrogen 2.713 N/A THR 493.A OG1 THR 522.A O no hydrogen 2.970 N/A TYR 495.A N GLY 492.A O no hydrogen 3.073 N/A TYR 495.A OH GLU 156.A OE1 no hydrogen 2.354 N/A GLU 496.A N THR 493.A O no hydrogen 2.749 N/A SER 497.A N GLU 494.A O no hydrogen 2.887 N/A SER 497.A OG ILE 297.A O no hydrogen 3.098 N/A PHE 498.A N TYR 495.A O no hydrogen 2.902 N/A GLY 499.A N SER 539.A OG no hydrogen 2.762 N/A GLY 500.A N TYR 495.A O no hydrogen 2.863 N/A ASN 501.A N GLU 496.A OE1 no hydrogen 2.988 N/A ASN 501.A ND2 GLY 492.A O no hydrogen 3.045 N/A ASN 501.A ND2 TYR 521.A OH no hydrogen 3.303 N/A LYS 502.A N ASP 158.A OD1 no hydrogen 2.841 N/A LYS 502.A NZ.B TYR 159.A O no hydrogen 2.654 N/A LYS 502.A NZ.B TYR 504.A OH no hydrogen 3.115 N/A TYR 504.A OH TYR 159.A O no hydrogen 2.860 N/A HIS 505.A N LYS 502.A O no hydrogen 2.923 N/A HIS 505.A NE2 ARG 491.A O no hydrogen 2.737 N/A THR 506.A OG1 THR 617.A OG1 no hydrogen 2.794 N/A THR 507.A N TYR 504.A O no hydrogen 2.960 N/A THR 507.A OG1 TYR 504.A O no hydrogen 2.690 N/A ILE 508.A N HIS 505.A O no hydrogen 2.916 N/A LEU 509.A N HIS 505.A O no hydrogen 3.112 N/A PHE 511.A N ILE 508.A O no hydrogen 2.779 N/A THR 512.A N LEU 509.A O no hydrogen 2.991 N/A THR 512.A OG1 TYR 159.A OH no hydrogen 2.898 N/A THR 512.A OG1 ILE 508.A O no hydrogen 3.203 N/A THR 512.A OG1 LEU 509.A O no hydrogen 3.479 N/A ARG 513.A NE GLU 488.A O no hydrogen 2.801 N/A ARG 513.A NH1 GLU 488.A O no hydrogen 2.976 N/A ARG 513.A NH1 PRO 518.A O no hydrogen 2.819 N/A ARG 513.A NH2 ARG 513.A O no hydrogen 2.868 N/A ARG 513.A NH2 GLY 517.A O no hydrogen 2.840 N/A ARG 513.A NH2 PRO 518.A O no hydrogen 3.411 N/A LEU 514.A N LEU 509.A O no hydrogen 3.005 N/A VAL 515.A N THR 512.A O no hydrogen 2.930 N/A GLY 517.A N LEU 514.A O no hydrogen 3.108 N/A ASP 520.A N ASN 487.A O no hydrogen 2.836 N/A THR 522.A OG1 TYR 521.A O no hydrogen 2.648 N/A THR 522.A OG1 THR 522.A O no hydrogen 2.412 N/A GLY 524.A N GLN 548.A OE1 no hydrogen 2.820 N/A ILE 525.A N GLN 548.A OE1 no hydrogen 2.997 N/A PHE 526.A N ASP 564.A OD2 no hydrogen 2.791 N/A GLU 527.A N ASP 564.A OD2 no hydrogen 3.006 N/A HIS 529.A N GLU 527.A OE2 no hydrogen 3.123 N/A CYS 530.A N SER 539.A O no hydrogen 3.065 N/A CYS 530.A SG GLU 496.A O no hydrogen 3.813 N/A LYS 532.A N HIS 529.A O no hydrogen 3.070 N/A LYS 532.A NZ GLU 527.A OE1 no hydrogen 2.904 N/A LYS 532.A NZ GLU 527.A OE2 no hydrogen 3.073 N/A MET 533.A N CYS 530.A O no hydrogen 2.889 N/A ASN 534.A N CYS 530.A O no hydrogen 3.056 N/A ASN 534.A ND2 THR 298.A O no hydrogen 2.775 N/A ALA 536.A N ASN 534.A OD1 no hydrogen 3.006 N/A ASN 537.A N ASN 534.A O no hydrogen 2.838 N/A ASN 537.A ND2 THR 298.A O no hydrogen 3.324 N/A ASN 537.A ND2 SER 497.A O no hydrogen 3.202 N/A ASN 537.A ND2 SER 497.A OG no hydrogen 3.054 N/A SER 539.A N ASN 537.A OD1 no hydrogen 2.879 N/A SER 539.A OG GLU 496.A O no hydrogen 2.656 N/A GLN 540.A NE2 LYS 652.A O no hydrogen 2.973 N/A VAL 541.A N THR 528.A O no hydrogen 2.856 N/A ARG 542.A N GLU 496.A OE1 no hydrogen 2.897 N/A ARG 542.A NH1 ASN 501.A O no hydrogen 2.806 N/A SER 543.A N VAL 541.A O no hydrogen 2.849 N/A SER 543.A OG THR 544.A O no hydrogen 2.825 N/A THR 544.A N GLY 678.A O no hydrogen 3.021 N/A THR 544.A OG1 ASP 645.A OD1 no hydrogen 2.661 N/A ILE 545.A N PRO 655.A O no hydrogen 2.851 N/A ARG 547.A N THR 544.A OG1 no hydrogen 3.241 N/A ARG 547.A NE THR 617.A OG1 no hydrogen 3.016 N/A ARG 547.A NH1 VAL 503.A O no hydrogen 3.164 N/A ARG 547.A NH2 VAL 503.A O no hydrogen 2.745 N/A GLN 548.A N THR 544.A O no hydrogen 3.279 N/A GLN 548.A NE2 SER 543.A OG no hydrogen 2.904 N/A LEU 549.A N ILE 545.A O no hydrogen 3.203 N/A ALA 550.A N ALA 546.A O no hydrogen 3.075 N/A LEU 551.A N ARG 547.A O no hydrogen 3.151 N/A LEU 551.A N GLN 548.A O no hydrogen 3.314 N/A TYR 552.A N LEU 549.A O no hydrogen 3.107 N/A TYR 552.A OH MET 561.A O no hydrogen 2.665 N/A VAL 553.A N ALA 550.A O no hydrogen 2.774 N/A THR 554.A N ALA 550.A O no hydrogen 2.851 N/A MET 555.A N LEU 551.A O no hydrogen 2.837 N/A SER 557.A OG MET 519.A O no hydrogen 3.411 N/A SER 557.A OG LEU 559.A O no hydrogen 2.582 N/A LEU 559.A N SER 557.A OG no hydrogen 2.952 N/A GLN 560.A N VAL 287.A O no hydrogen 2.944 N/A GLN 560.A NE2 MET 555.A O no hydrogen 3.064 N/A GLN 560.A NE2 SER 557.A O no hydrogen 3.162 N/A ALA 562.A N TYR 289.A O no hydrogen 2.914 N/A ALA 563.A N PRO 523.A O no hydrogen 3.076 N/A ASP 564.A N TYR 569.A OH no hydrogen 2.990 N/A ILE 565.A N ASP 564.A OD1 no hydrogen 2.826 N/A ASN 568.A N ILE 565.A O no hydrogen 2.880 N/A ASN 568.A ND2 ASP 564.A OD1 no hydrogen 2.771 N/A TYR 569.A N ILE 565.A O no hydrogen 3.261 N/A TYR 569.A OH GLY 524.A O no hydrogen 2.554 N/A GLU 570.A N PRO 566.A O no hydrogen 2.906 N/A ARG 571.A N ASN 568.A O no hydrogen 3.153 N/A ARG 571.A NH1.A ASN 568.A OD1 no hydrogen 2.770 N/A ARG 571.A NH1.B GLU 527.A OE1 no hydrogen 2.690 N/A ARG 571.A NH2.A ASN 568.A OD1 no hydrogen 3.481 N/A PHE 572.A N TYR 569.A O no hydrogen 3.065 N/A ALA 575.A N ASP 574.A OD1 no hydrogen 2.830 N/A PHE 576.A N PHE 572.A O no hydrogen 3.015 N/A GLN 577.A N ASP 574.A O no hydrogen 3.299 N/A GLN 577.A NE2 ASP 581.A OD1 no hydrogen 2.903 N/A PHE 578.A N ALA 575.A O no hydrogen 3.000 N/A LYS 580.A N PHE 576.A O no hydrogen 3.130 N/A LYS 580.A NZ HIS 345.A ND1 no hydrogen 2.789 N/A ASP 581.A N GLN 577.A O no hydrogen 2.882 N/A VAL 582.A N PHE 578.A O no hydrogen 2.912 N/A TRP 586.A N ASP 585.A OD1 no hydrogen 3.149 N/A ASP 587.A N LYS 605.A O no hydrogen 2.908 N/A THR 589.A OG1 GLU 78.A O no hydrogen 2.639 N/A ASN 590.A N ALA 603.A O no hydrogen 2.724 N/A TYR 591.A OH GLU 78.A OE1 no hydrogen 2.657 N/A LEU 592.A N THR 601.A O no hydrogen 2.858 N/A GLU 593.A N THR 601.A O no hydrogen 3.160 N/A GLU 595.A N TYR 599.A O no hydrogen 2.796 N/A GLY 597.A N THR 507.A O no hydrogen 3.156 N/A GLU 598.A N GLU 595.A O no hydrogen 2.952 N/A TYR 599.A N GLU 595.A O no hydrogen 3.144 N/A ILE 600.A N THR 617.A O no hydrogen 2.971 N/A THR 601.A N GLU 593.A O no hydrogen 2.734 N/A THR 601.A OG1.A GLU 593.A OE1 no hydrogen 2.683 N/A THR 601.A OG1.B GLU 593.A O no hydrogen 3.488 N/A THR 601.A OG1.B GLU 593.A OE1 no hydrogen 3.135 N/A ILE 602.A N GLY 615.A O no hydrogen 2.884 N/A ALA 603.A N ASN 590.A O no hydrogen 2.934 N/A ARG 604.A N TYR 613.A O no hydrogen 2.902 N/A ARG 604.A NE VAL 553.A O no hydrogen 2.944 N/A ARG 604.A NH1 GLU 78.A OE1 no hydrogen 2.740 N/A ARG 604.A NH1 THR 589.A OG1 no hydrogen 2.934 N/A ARG 604.A NH2 GLU 78.A OE1 no hydrogen 3.351 N/A ARG 604.A NH2 VAL 553.A O no hydrogen 3.068 N/A LYS 605.A N GLU 588.A O no hydrogen 2.948 N/A ALA 606.A N ASP 611.A O no hydrogen 2.851 N/A LYS 607.A N ASP 585.A O no hydrogen 2.987 N/A LYS 607.A NZ.A TRP 586.A O no hydrogen 3.498 N/A LYS 607.A NZ.A ASP 587.A OD1 no hydrogen 3.076 N/A LYS 607.A NZ.B ASP 585.A OD2 no hydrogen 2.918 N/A ASP 608.A N ASP 587.A OD2 no hydrogen 2.732 N/A THR 609.A N ALA 606.A O no hydrogen 3.092 N/A THR 609.A OG1 ALA 606.A O no hydrogen 2.893 N/A ASP 611.A N THR 609.A OG1 no hydrogen 2.904 N/A TRP 612.A N ILE 685.A O no hydrogen 2.936 N/A TYR 613.A N ARG 604.A O no hydrogen 2.827 N/A VAL 614.A N ILE 683.A O no hydrogen 2.853 N/A GLY 615.A N ILE 602.A O no hydrogen 2.869 N/A CYS 616.A N TYR 681.A O no hydrogen 2.868 N/A CYS 616.A SG ILE 600.A O no hydrogen 4.004 N/A CYS 616.A SG THR 601.A OG1.A no hydrogen 3.473 N/A THR 617.A N ILE 600.A O no hydrogen 2.853 N/A THR 617.A OG1 THR 506.A OG1 no hydrogen 2.794 N/A ALA 618.A N GLY 679.A O no hydrogen 2.967 N/A GLY 619.A N GLU 598.A O no hydrogen 2.773 N/A ASN 621.A ND2 GLU 598.A OE1.A no hydrogen 3.103 N/A GLY 622.A N GLY 619.A O no hydrogen 3.245 N/A HIS 623.A N ALA 675.A O no hydrogen 2.956 N/A HIS 623.A NE2 GLU 593.A OE2 no hydrogen 2.536 N/A SER 625.A N LEU 673.A O no hydrogen 2.761 N/A SER 625.A OG GLU 593.A OE1 no hydrogen 2.568 N/A SER 625.A OG TYR 681.A OH no hydrogen 2.652 N/A LEU 627.A N LEU 671.A O no hydrogen 2.788 N/A PHE 629.A N SER 669.A O no hydrogen 3.083 N/A LEU 632.A N PHE 629.A O no hydrogen 3.234 N/A THR 633.A N TYR 638.A OH no hydrogen 3.029 N/A THR 633.A OG1 ASP 610.A OD2 no hydrogen 3.133 N/A LYS 636.A N THR 633.A O no hydrogen 3.213 N/A LYS 636.A NZ GLU 687.A OE2 no hydrogen 2.492 N/A TYR 638.A N LEU 665.A O no hydrogen 3.063 N/A TYR 638.A OH ASP 610.A OD1 no hydrogen 2.828 N/A ILE 639.A N LYS 686.A O no hydrogen 2.691 N/A ALA 640.A N GLY 663.A O no hydrogen 2.829 N/A THR 641.A N SER 684.A O no hydrogen 2.813 N/A VAL 642.A N LYS 661.A O no hydrogen 2.835 N/A TYR 643.A N ALA 682.A O no hydrogen 2.816 N/A ALA 644.A N THR 659.A O no hydrogen 2.905 N/A ALA 646.A N ALA 657.A O no hydrogen 3.032 N/A ALA 649.A N ALA 646.A O no hydrogen 2.919 N/A ASP 650.A N ASN 654.A O no hydrogen 2.812 N/A TRP 651.A N ASN 677.A O no hydrogen 3.068 N/A LYS 652.A N ASP 650.A OD2 no hydrogen 2.964 N/A GLU 653.A N ASP 650.A OD2 no hydrogen 2.699 N/A ASN 654.A N ASP 650.A O no hydrogen 2.997 N/A ASN 654.A ND2 ASP 648.A O no hydrogen 3.201 N/A GLN 656.A NE2 PHE 526.A O no hydrogen 3.208 N/A GLN 656.A NE2 GLU 527.A OE1 no hydrogen 2.866 N/A TYR 658.A OH ASP 574.A OD1 no hydrogen 2.572 N/A THR 659.A N ALA 644.A O no hydrogen 2.709 N/A LYS 661.A N VAL 642.A O no hydrogen 2.914 N/A GLY 663.A N ALA 640.A O no hydrogen 2.952 N/A LEU 665.A N TYR 638.A O no hydrogen 2.937 N/A THR 666.A N SER 669.A OG no hydrogen 2.791 N/A LYS 668.A N THR 666.A OG1 no hydrogen 3.143 N/A SER 669.A N THR 666.A O no hydrogen 2.891 N/A SER 669.A OG THR 666.A O no hydrogen 3.106 N/A LEU 671.A N LEU 627.A O no hydrogen 3.002 N/A LEU 673.A N SER 625.A O no hydrogen 2.904 N/A ALA 675.A N HIS 623.A O no hydrogen 2.765 N/A ALA 676.A N ASP 645.A OD2 no hydrogen 2.789 N/A GLY 678.A N GLY 619.A O no hydrogen 2.837 N/A GLY 679.A N ALA 676.A O no hydrogen 2.869 N/A GLY 680.A N ASP 645.A OD2 no hydrogen 2.829 N/A TYR 681.A N CYS 616.A O no hydrogen 3.089 N/A TYR 681.A OH SER 625.A OG no hydrogen 2.652 N/A ALA 682.A N TYR 643.A O no hydrogen 2.890 N/A ILE 683.A N VAL 614.A O no hydrogen 2.844 N/A SER 684.A N THR 641.A O no hydrogen 3.023 N/A ILE 685.A N TRP 612.A O no hydrogen 2.839 N/A LYS 686.A N ILE 639.A O no hydrogen 3.010 N/A GLU 687.A N ASP 611.A OD1 no hydrogen 3.036 N/A VAL 688.A N GLN 637.A O no hydrogen 2.812 N/A