Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 180.A OD2 no hydrogen 2.452 N/A GLU 4.A N PRO 440.A O no hydrogen 2.892 N/A TRP 7.A NE1 SER 187.A OG no hydrogen 2.805 N/A LEU 8.A N PRO 5.A O no hydrogen 3.087 N/A ARG 9.A NE GLN 476.A O no hydrogen 2.982 N/A TYR 10.A N GLN 124.A OE1 no hydrogen 2.734 N/A TYR 10.A OH GLU 39.A OE2 no hydrogen 2.631 N/A ARG 12.A NE SER 46.A O no hydrogen 2.830 N/A ARG 12.A NH2 ARG 45.A O.A no hydrogen 3.107 N/A ARG 12.A NH2 ARG 45.A O.B no hydrogen 3.114 N/A ARG 12.A NH2 SER 46.A O no hydrogen 3.512 N/A LYS 13.A N MET 47.A O no hydrogen 2.926 N/A LYS 13.A NZ LEU 123.A O no hydrogen 2.943 N/A LYS 13.A NZ GLN 124.A O no hydrogen 3.106 N/A GLN 15.A N.B GLN 15.A OE1.B no hydrogen 2.613 N/A TYR 16.A N ASP 14.A OD1 no hydrogen 2.759 N/A SER 17.A N ASP 14.A O no hydrogen 3.159 N/A SER 17.A OG ASP 14.A OD1 no hydrogen 2.835 N/A ARG 18.A NE LYS 13.A O no hydrogen 2.957 N/A ARG 18.A NE ASP 14.A O no hydrogen 2.978 N/A ARG 18.A NH1 GLU 49.A OE1 no hydrogen 3.272 N/A ARG 18.A NH2 LYS 13.A O no hydrogen 2.857 N/A GLU 22.A N ASN 63.A O no hydrogen 2.871 N/A GLU 23.A N ASN 63.A O no hydrogen 3.218 N/A ILE 24.A N GLN 53.A O no hydrogen 2.865 N/A VAL 25.A N ILE 65.A O no hydrogen 2.883 N/A ALA 26.A N VAL 55.A O no hydrogen 2.723 N/A LYS 27.A N LEU 67.A O no hydrogen 3.043 N/A LYS 27.A NZ GLN 56.A O no hydrogen 2.992 N/A ARG 28.A NE.A THR 69.A OG1 no hydrogen 3.089 N/A ARG 28.A NE.B ASP 109.A OD1 no hydrogen 2.529 N/A ARG 28.A NE.B ASP 109.A OD2 no hydrogen 3.182 N/A ARG 28.A NH2.A THR 69.A OG1 no hydrogen 2.646 N/A ARG 28.A NH2.A GLU 71.A OE1.A no hydrogen 2.734 N/A ARG 28.A NH2.A GLU 71.A OE1.B no hydrogen 1.808 N/A ARG 28.A NH2.B ASP 109.A OD2 no hydrogen 3.054 N/A SER 30.A OG ASP 109.A OD2 no hydrogen 2.536 N/A PHE 33.A N SER 30.A OG no hydrogen 3.262 N/A GLN 34.A N SER 30.A O no hydrogen 3.027 N/A GLN 34.A N PRO 31.A O no hydrogen 3.243 N/A ALA 35.A N PRO 31.A O no hydrogen 3.274 N/A VAL 36.A N ILE 32.A O no hydrogen 2.922 N/A VAL 37.A N PHE 33.A O no hydrogen 2.995 N/A GLU 38.A N GLN 34.A O no hydrogen 3.037 N/A GLU 39.A N ALA 35.A O no hydrogen 2.822 N/A LEU 40.A N VAL 36.A O no hydrogen 2.907 N/A GLN 41.A N VAL 37.A O no hydrogen 2.862 N/A LYS 42.A N GLU 38.A O no hydrogen 2.863 N/A GLY 43.A N GLU 39.A O no hydrogen 2.931 N/A LEU 44.A N LEU 40.A O no hydrogen 3.032 N/A ARG 45.A N.A GLN 41.A O no hydrogen 2.989 N/A ARG 45.A N.B GLN 41.A O no hydrogen 2.993 N/A ARG 45.A NE.B GLU 51.A OE2 no hydrogen 2.676 N/A SER 46.A N LYS 42.A O no hydrogen 2.952 N/A SER 46.A OG TYR 10.A O no hydrogen 2.668 N/A MET 47.A N GLY 43.A O no hydrogen 2.791 N/A MET 48.A N LEU 44.A O no hydrogen 2.803 N/A GLU 49.A N ARG 45.A O.A no hydrogen 3.031 N/A GLU 49.A N ARG 45.A O.B no hydrogen 3.000 N/A ILE 50.A N LEU 44.A O no hydrogen 3.456 N/A GLN 53.A N GLU 22.A O no hydrogen 2.870 N/A VAL 55.A N ILE 24.A O no hydrogen 2.850 N/A THR 61.A N ASN 59.A OD1 no hydrogen 2.963 N/A THR 61.A OG1 ASN 59.A OD1 no hydrogen 3.142 N/A ALA 62.A N ASN 59.A O no hydrogen 2.953 N/A ASN 63.A N GLU 22.A OE1 no hydrogen 2.926 N/A ASN 63.A ND2 GLU 22.A OE2 no hydrogen 2.824 N/A SER 64.A N.A PHE 100.A O no hydrogen 2.997 N/A SER 64.A N.B PHE 100.A O no hydrogen 2.989 N/A SER 64.A OG.B ALA 62.A O no hydrogen 3.076 N/A ILE 65.A N GLU 23.A O no hydrogen 3.166 N/A TRP 66.A N ILE 102.A O no hydrogen 2.671 N/A LEU 67.A N VAL 25.A O no hydrogen 2.734 N/A GLY 68.A N ILE 104.A O no hydrogen 3.307 N/A THR 69.A N ASP 72.A OD2 no hydrogen 2.781 N/A THR 69.A OG1 ASP 72.A OD2 no hydrogen 2.888 N/A ASP 72.A N THR 69.A O no hydrogen 2.827 N/A GLU 73.A N LEU 70.A O no hydrogen 2.926 N/A ARG 77.A N GLU 80.A OE2 no hydrogen 2.910 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.881 N/A THR 82.A N LEU 79.A O no hydrogen 2.852 N/A THR 82.A OG1 LEU 79.A O no hydrogen 2.718 N/A LEU 83.A N GLU 80.A O no hydrogen 3.393 N/A VAL 84.A N GLN 137.A OE1 no hydrogen 2.990 N/A HIS 85.A N GLN 137.A OE1 no hydrogen 2.917 N/A HIS 85.A NE2 GLU 87.A OE1 no hydrogen 3.211 N/A GLY 88.A N HIS 85.A O no hydrogen 2.939 N/A TYR 89.A N GLU 136.A O no hydrogen 2.932 N/A TYR 89.A OH HIS 118.A ND1 no hydrogen 2.701 N/A VAL 90.A N ILE 105.A O no hydrogen 2.679 N/A ILE 91.A N ILE 134.A O no hydrogen 2.812 N/A ARG 92.A N TYR 103.A O no hydrogen 2.980 N/A ARG 92.A NE GLU 80.A OE1 no hydrogen 3.064 N/A ARG 92.A NH2 GLU 80.A OE2 no hydrogen 2.937 N/A SER 93.A N LEU 132.A O no hydrogen 3.056 N/A SER 93.A OG ILE 129.A O no hydrogen 2.849 N/A ASP 94.A N ARG 101.A O no hydrogen 2.768 N/A ASP 96.A N ASP 94.A OD1 no hydrogen 2.810 N/A GLY 98.A N ASP 96.A OD2 no hydrogen 2.694 N/A PHE 100.A N ASN 63.A OD1 no hydrogen 2.974 N/A ARG 101.A NH1 ASP 94.A OD2 no hydrogen 3.358 N/A ILE 102.A N SER 64.A O.A no hydrogen 3.007 N/A ILE 102.A N SER 64.A O.B no hydrogen 3.000 N/A TYR 103.A N ARG 92.A O no hydrogen 2.806 N/A TYR 103.A OH ASP 94.A OD2 no hydrogen 3.323 N/A ILE 104.A N TRP 66.A O no hydrogen 2.844 N/A ILE 105.A N VAL 90.A O no hydrogen 2.802 N/A GLY 106.A N GLY 68.A O no hydrogen 3.001 N/A LYS 107.A N GLY 88.A O no hydrogen 2.944 N/A LYS 107.A NZ LEU 83.A O no hydrogen 3.479 N/A THR 108.A OG1 PRO 86.A O no hydrogen 2.485 N/A VAL 112.A N THR 108.A O no hydrogen 3.221 N/A LEU 113.A N ASP 109.A O no hydrogen 3.060 N/A TYR 114.A N ALA 110.A O no hydrogen 3.073 N/A GLY 115.A N GLY 111.A O no hydrogen 2.893 N/A VAL 116.A N VAL 112.A O no hydrogen 2.875 N/A PHE 117.A N LEU 113.A O no hydrogen 3.097 N/A HIS 118.A N TYR 114.A O no hydrogen 3.037 N/A HIS 118.A ND1 TYR 89.A OH no hydrogen 2.701 N/A PHE 119.A N GLY 115.A O no hydrogen 2.831 N/A LEU 120.A N VAL 116.A O no hydrogen 2.911 N/A ARG 121.A N PHE 117.A O no hydrogen 2.906 N/A LEU 122.A N HIS 118.A O no hydrogen 2.891 N/A LEU 123.A N PHE 119.A O no hydrogen 3.133 N/A GLN 124.A N LEU 120.A O no hydrogen 2.884 N/A GLN 124.A NE2 TRP 7.A O no hydrogen 2.891 N/A MET 125.A N.A ARG 121.A O no hydrogen 3.034 N/A MET 125.A N.B ARG 121.A O no hydrogen 3.002 N/A GLY 126.A N LEU 123.A O no hydrogen 3.005 N/A GLU 127.A N LEU 122.A O no hydrogen 2.904 N/A ALA 130.A N ASN 128.A OD1 no hydrogen 3.011 N/A LEU 132.A N SER 93.A OG no hydrogen 2.880 N/A ILE 134.A N ILE 91.A O no hydrogen 2.746 N/A GLU 136.A N TYR 89.A O no hydrogen 3.027 N/A LYS 139.A N TRP 460.A O no hydrogen 2.860 N/A LYS 139.A NZ ASN 461.A OD1 no hydrogen 2.978 N/A ASN 140.A ND2 ALA 459.A O no hydrogen 2.710 N/A ARG 141.A NH1 ARG 426.A O no hydrogen 3.030 N/A LEU 142.A N.A SER 428.A O no hydrogen 2.971 N/A LEU 142.A N.B SER 428.A O no hydrogen 2.957 N/A ARG 143.A N ASN 191.A OD1 no hydrogen 3.045 N/A ARG 143.A NE GLY 189.A O no hydrogen 2.699 N/A ARG 143.A NH1 GLU 87.A OE1 no hydrogen 2.905 N/A ARG 143.A NH1 ASN 140.A O no hydrogen 2.668 N/A ARG 143.A NH2 GLU 87.A OE2 no hydrogen 2.734 N/A ARG 143.A NH2 GLY 189.A O no hydrogen 3.027 N/A MET 144.A N ILE 430.A O no hydrogen 2.972 N/A ILE 145.A N ALA 192.A O no hydrogen 3.028 N/A ASN 146.A N GLY 432.A O no hydrogen 2.765 N/A ASN 146.A ND2 SER 194.A OG no hydrogen 2.967 N/A HIS 147.A N SER 194.A O no hydrogen 2.906 N/A HIS 147.A ND1 ASP 149.A OD1 no hydrogen 2.845 N/A HIS 147.A NE2 TYR 181.A OH no hydrogen 2.634 N/A ASN 150.A N SER 154.A O no hydrogen 2.795 N/A ASN 150.A ND2 SER 154.A OG no hydrogen 3.031 N/A MET 151.A N GLU 204.A OE2 no hydrogen 2.772 N/A GLY 153.A N ASN 150.A O no hydrogen 3.064 N/A SER 154.A N ASP 152.A OD1 no hydrogen 2.841 N/A SER 154.A OG ASP 152.A OD1 no hydrogen 2.728 N/A GLU 156.A N TRP 148.A O no hydrogen 2.992 N/A ARG 157.A NH1 GLY 515.A O no hydrogen 2.951 N/A ARG 157.A NH2 GLY 515.A O no hydrogen 3.559 N/A GLY 158.A N ILE 155.A O no hydrogen 2.971 N/A ARG 162.A N SER 438.A OG no hydrogen 2.846 N/A ARG 162.A NH2 ASP 152.A O no hydrogen 3.106 N/A SER 163.A N.A GLY 153.A O no hydrogen 2.911 N/A SER 163.A N.B GLY 153.A O no hydrogen 2.861 N/A SER 163.A OG.A GLY 153.A O no hydrogen 3.516 N/A SER 163.A OG.B ASP 149.A OD2 no hydrogen 2.651 N/A PHE 165.A N SER 163.A OG.B no hydrogen 2.906 N/A PHE 166.A N SER 163.A OG.A no hydrogen 3.131 N/A PHE 166.A N SER 163.A OG.B no hydrogen 2.976 N/A VAL 167.A N GLN 170.A O no hydrogen 2.859 N/A ASP 169.A N MET 151.A O no hydrogen 2.724 N/A GLN 170.A N VAL 167.A O no hydrogen 2.958 N/A VAL 172.A N PHE 165.A O no hydrogen 2.865 N/A GLN 176.A N GLN 174.A OE1 no hydrogen 3.302 N/A GLN 176.A NE2 ASP 180.A OD2 no hydrogen 3.121 N/A ARG 177.A NH1 SER 438.A O no hydrogen 2.913 N/A ARG 177.A NH2 ASP 439.A O no hydrogen 2.801 N/A LYS 179.A N ASN 175.A O no hydrogen 3.026 N/A ASP 180.A N GLN 176.A O no hydrogen 3.036 N/A TYR 181.A N ARG 177.A O no hydrogen 2.869 N/A TYR 181.A OH HIS 147.A NE2 no hydrogen 2.634 N/A ALA 182.A N ILE 178.A O no hydrogen 2.861 N/A ARG 183.A N LYS 179.A O no hydrogen 2.954 N/A ARG 183.A NE GLU 39.A OE1 no hydrogen 2.848 N/A ARG 183.A NH1 ASP 180.A OD1 no hydrogen 2.836 N/A ARG 183.A NH2 GLU 39.A OE2 no hydrogen 3.168 N/A LEU 184.A N ASP 180.A O no hydrogen 3.089 N/A LEU 185.A N TYR 181.A O no hydrogen 2.955 N/A ALA 186.A N ALA 182.A O no hydrogen 2.831 N/A SER 187.A N ARG 183.A O no hydrogen 2.921 N/A SER 187.A OG LEU 184.A O no hydrogen 2.592 N/A VAL 188.A N LEU 185.A O no hydrogen 3.226 N/A GLY 189.A N ALA 186.A O no hydrogen 2.952 N/A ILE 190.A N LEU 185.A O no hydrogen 2.987 N/A ASN 191.A N ARG 143.A O no hydrogen 2.938 N/A ASN 191.A ND2 GLU 87.A OE2 no hydrogen 3.077 N/A ASN 191.A ND2 ARG 141.A O no hydrogen 2.837 N/A ILE 193.A N LYS 229.A O no hydrogen 2.961 N/A SER 194.A N ILE 145.A O no hydrogen 2.970 N/A SER 194.A OG ILE 145.A O no hydrogen 3.565 N/A ASN 196.A ND2 SER 233.A O no hydrogen 2.964 N/A ASN 197.A N ASP 149.A O no hydrogen 2.888 N/A ASN 197.A ND2 ASN 150.A OD1 no hydrogen 3.013 N/A ASN 197.A ND2 GLU 156.A OE1 no hydrogen 2.764 N/A ASN 199.A N ASN 197.A OD1 no hydrogen 3.120 N/A ASN 199.A ND2 GLU 156.A OE1 no hydrogen 3.037 N/A THR 203.A OG1 ASP 169.A OD1 no hydrogen 3.408 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.670 N/A THR 205.A N HIS 201.A O no hydrogen 3.033 N/A THR 205.A OG1 HIS 201.A O no hydrogen 2.783 N/A LYS 206.A N THR 203.A O no hydrogen 2.981 N/A LEU 207.A N GLU 204.A O no hydrogen 3.007 N/A THR 209.A N LYS 206.A O no hydrogen 2.926 N/A THR 209.A OG1 LYS 206.A O no hydrogen 2.588 N/A PHE 212.A N THR 209.A O no hydrogen 3.178 N/A LEU 213.A N THR 209.A O no hydrogen 2.881 N/A VAL 216.A N PHE 212.A O no hydrogen 3.010 N/A ALA 217.A N LEU 213.A O no hydrogen 2.814 N/A GLU 218.A N PRO 214.A O no hydrogen 3.122 N/A VAL 219.A N ASP 215.A O no hydrogen 3.164 N/A ALA 220.A N VAL 216.A O no hydrogen 2.906 N/A ASP 221.A N ALA 217.A O no hydrogen 2.816 N/A PHE 223.A N VAL 219.A O no hydrogen 3.182 N/A ARG 224.A N ALA 220.A O no hydrogen 2.814 N/A ARG 224.A NE ASP 272.A OD1 no hydrogen 3.416 N/A ARG 224.A NE ASP 272.A OD2 no hydrogen 2.625 N/A ARG 224.A NH1 ASP 221.A OD1 no hydrogen 2.696 N/A ARG 224.A NH2 ASP 272.A OD1 no hydrogen 2.865 N/A THR 225.A N.A ASP 221.A O no hydrogen 3.357 N/A THR 225.A N.A ILE 222.A O no hydrogen 3.205 N/A THR 225.A N.B ASP 221.A O no hydrogen 3.311 N/A THR 225.A OG1.A ILE 222.A O no hydrogen 2.641 N/A THR 225.A OG1.B ASP 221.A O no hydrogen 3.073 N/A TYR 226.A N PHE 223.A O no hydrogen 2.983 N/A GLY 227.A N ARG 224.A O no hydrogen 3.009 N/A ILE 228.A N PHE 223.A O no hydrogen 2.819 N/A LYS 229.A N ASN 191.A O no hydrogen 2.951 N/A PHE 231.A N ILE 193.A O no hydrogen 2.730 N/A LEU 232.A N GLY 275.A O no hydrogen 3.221 N/A SER 233.A N ASN 196.A OD1 no hydrogen 2.934 N/A SER 233.A OG ASN 196.A O no hydrogen 2.707 N/A ILE 234.A N VAL 277.A O no hydrogen 3.073 N/A ASN 235.A ND2 THR 205.A OG1 no hydrogen 3.155 N/A TYR 236.A OH GLY 294.A O no hydrogen 2.764 N/A ALA 237.A N ASN 235.A OD1 no hydrogen 2.800 N/A SER 238.A N ASN 235.A O no hydrogen 2.993 N/A SER 238.A OG ASN 235.A O no hydrogen 2.587 N/A ILE 240.A N ALA 237.A O no hydrogen 2.885 N/A GLU 241.A N ALA 237.A O no hydrogen 3.011 N/A ILE 242.A N SER 238.A O no hydrogen 2.854 N/A GLY 243.A N SER 238.A O no hydrogen 3.054 N/A GLY 244.A N ILE 240.A O no hydrogen 3.288 N/A LEU 245.A N PRO 239.A O no hydrogen 2.933 N/A ALA 248.A N TYR 287.A OH no hydrogen 2.892 N/A ASP 249.A N THR 247.A OG1 no hydrogen 3.078 N/A LEU 251.A N ASP 249.A OD1 no hydrogen 2.920 N/A ASP 252.A N ASP 249.A O no hydrogen 2.906 N/A VAL 255.A N ASP 252.A OD2 no hydrogen 3.005 N/A ARG 256.A N ASP 252.A O no hydrogen 3.130 N/A ARG 256.A NH1 PRO 250.A O no hydrogen 2.869 N/A ARG 257.A N PRO 253.A O no hydrogen 3.087 N/A TRP 258.A N GLU 254.A O.A no hydrogen 2.819 N/A TRP 258.A N GLU 254.A O.B no hydrogen 2.802 N/A TRP 259.A N VAL 255.A O no hydrogen 3.157 N/A LYS 260.A N ARG 256.A O no hydrogen 3.212 N/A GLU 261.A N ARG 257.A O no hydrogen 2.938 N/A THR 262.A N TRP 258.A O no hydrogen 2.899 N/A THR 262.A OG1 TRP 258.A O no hydrogen 3.101 N/A ALA 263.A N TRP 259.A O no hydrogen 2.866 N/A LYS 264.A N LYS 260.A O no hydrogen 3.002 N/A ARG 265.A N GLU 261.A O no hydrogen 2.958 N/A ARG 265.A NE ILE 208.A O no hydrogen 3.345 N/A ARG 265.A NH2 ILE 208.A O no hydrogen 2.689 N/A ARG 265.A NH2 THR 262.A OG1 no hydrogen 3.100 N/A ILE 266.A N THR 262.A O no hydrogen 3.003 N/A TYR 267.A N ALA 263.A O no hydrogen 3.034 N/A TYR 267.A OH PHE 273.A O no hydrogen 2.870 N/A GLN 268.A N ARG 265.A O no hydrogen 3.228 N/A GLN 268.A NE2 LYS 264.A O no hydrogen 3.652 N/A TYR 269.A N ILE 266.A O no hydrogen 2.887 N/A TYR 269.A OH ASP 210.A OD1 no hydrogen 2.533 N/A ILE 270.A N ILE 266.A O no hydrogen 2.748 N/A PHE 273.A N ILE 270.A O no hydrogen 2.924 N/A GLY 274.A N THR 230.A O no hydrogen 2.807 N/A PHE 276.A N LEU 308.A O no hydrogen 2.960 N/A VAL 277.A N LEU 232.A O no hydrogen 2.966 N/A VAL 278.A N ILE 310.A O no hydrogen 2.696 N/A LYS 279.A NZ ASN 199.A OD1 no hydrogen 2.576 N/A GLY 283.A N THR 286.A OG1 no hydrogen 2.758 N/A THR 286.A N GLY 283.A O no hydrogen 2.774 N/A TYR 287.A N PRO 284.A O no hydrogen 2.992 N/A GLY 288.A N PHE 285.A O no hydrogen 3.024 N/A ARG 289.A N PRO 284.A O no hydrogen 2.992 N/A ARG 289.A NE ASP 249.A OD1 no hydrogen 2.935 N/A ARG 289.A NE ASP 249.A OD2 no hydrogen 3.420 N/A ARG 289.A NH2 ASP 249.A OD2 no hydrogen 2.766 N/A ASP 290.A N GLU 293.A OE1 no hydrogen 2.966 N/A GLU 293.A N ASP 290.A OD1 no hydrogen 2.725 N/A GLY 294.A N ASP 290.A O no hydrogen 3.000 N/A ALA 295.A N HIS 291.A O no hydrogen 2.743 N/A ASN 296.A N ALA 292.A O no hydrogen 2.793 N/A ASN 296.A ND2 GLN 339.A O no hydrogen 2.863 N/A MET 297.A N GLU 293.A O no hydrogen 3.398 N/A ALA 299.A N ALA 295.A O no hydrogen 2.911 N/A GLU 300.A N ASN 296.A O no hydrogen 2.852 N/A ALA 301.A N MET 297.A O no hydrogen 3.326 N/A LEU 302.A N LEU 298.A O no hydrogen 3.165 N/A ALA 303.A N ALA 299.A O no hydrogen 2.825 N/A PHE 305.A N LEU 302.A O no hydrogen 2.973 N/A GLY 306.A N ALA 303.A O no hydrogen 3.086 N/A GLY 307.A N LEU 302.A O no hydrogen 3.135 N/A LEU 308.A N GLY 274.A O no hydrogen 2.879 N/A VAL 309.A N ASN 343.A O no hydrogen 2.956 N/A ILE 310.A N PHE 276.A O no hydrogen 2.751 N/A TRP 311.A N ILE 345.A O no hydrogen 2.876 N/A TRP 311.A NE1 HIS 291.A ND1 no hydrogen 2.981 N/A ARG 312.A N VAL 278.A O no hydrogen 2.995 N/A ARG 312.A NE GLU 376.A OE1 no hydrogen 2.859 N/A ARG 312.A NH2 GLU 376.A OE1 no hydrogen 3.437 N/A ARG 312.A NH2 GLU 376.A OE2 no hydrogen 2.939 N/A CYS 313.A N GLN 347.A O no hydrogen 2.894 N/A CYS 313.A SG TRP 311.A O no hydrogen 4.025 N/A CYS 313.A SG GLN 347.A O no hydrogen 3.807 N/A ARG 319.A N ASP 317.A OD1 no hydrogen 2.871 N/A ARG 319.A NH1 ASP 317.A OD1 no hydrogen 3.006 N/A ARG 319.A NH1 ASP 317.A OD2 no hydrogen 3.269 N/A ASP 320.A N ASP 317.A O no hydrogen 3.327 N/A THR 322.A N ASP 320.A OD1 no hydrogen 2.935 N/A THR 322.A OG1 ASP 320.A OD1 no hydrogen 2.502 N/A THR 322.A OG1 ASP 320.A OD2 no hydrogen 3.002 N/A THR 323.A N ASP 320.A O no hydrogen 3.331 N/A THR 323.A OG1 ASP 320.A OD2 no hydrogen 2.790 N/A ARG 325.A NH1 TRP 530.A O no hydrogen 2.849 N/A ARG 325.A NH2 MET 353.A O no hydrogen 3.559 N/A ALA 326.A N ASP 324.A OD1 no hydrogen 3.008 N/A LYS 327.A N ASP 324.A O no hydrogen 2.991 N/A LYS 327.A NZ THR 551.A O no hydrogen 2.624 N/A ALA 328.A N ARG 325.A O no hydrogen 3.201 N/A ASP 331.A N LYS 327.A O no hydrogen 2.980 N/A HIS 332.A N ALA 328.A O no hydrogen 2.824 N/A PHE 333.A N ALA 329.A O no hydrogen 2.906 N/A LYS 334.A N TYR 330.A O no hydrogen 2.919 N/A LYS 334.A NZ TYR 330.A OH no hydrogen 3.295 N/A LEU 336.A N PHE 333.A O no hydrogen 2.791 N/A ASP 337.A N LYS 334.A O no hydrogen 2.979 N/A GLN 339.A N LEU 336.A O no hydrogen 2.997 N/A ARG 341.A N ASN 296.A OD1 no hydrogen 2.734 N/A ASN 343.A ND2 ALA 299.A O no hydrogen 2.939 N/A ASN 343.A ND2 GLY 307.A O no hydrogen 3.127 N/A VAL 344.A N ARG 341.A O no hydrogen 3.187 N/A ILE 345.A N VAL 309.A O no hydrogen 2.932 N/A LEU 346.A N ASN 372.A O no hydrogen 3.021 N/A GLN 347.A N TRP 311.A O no hydrogen 2.828 N/A GLN 347.A NE2 ASN 146.A OD1 no hydrogen 2.840 N/A GLN 347.A NE2 GLU 376.A OE1 no hydrogen 2.921 N/A ILE 348.A N MET 374.A O no hydrogen 2.951 N/A LYS 349.A NZ ASP 354.A OD1 no hydrogen 2.635 N/A ASN 350.A N GLU 376.A O no hydrogen 3.033 N/A MET 353.A N GLU 359.A OE1 no hydrogen 2.916 N/A ASP 354.A N GLU 359.A OE2 no hydrogen 2.793 N/A GLN 356.A N GLU 359.A OE2 no hydrogen 2.795 N/A GLN 356.A NE2 ASP 354.A O no hydrogen 2.873 N/A ARG 358.A NE GLU 500.A OE1 no hydrogen 3.306 N/A ARG 358.A NE GLU 500.A OE2 no hydrogen 2.855 N/A ARG 358.A NH1 GLU 399.A OE1 no hydrogen 3.128 N/A ARG 358.A NH2 GLU 500.A OE1 no hydrogen 2.866 N/A SER 362.A N ASN 350.A O no hydrogen 2.980 N/A SER 362.A OG LYS 349.A O no hydrogen 2.807 N/A PHE 365.A N SER 362.A O no hydrogen 3.224 N/A ALA 367.A N LEU 364.A O no hydrogen 3.054 N/A LYS 370.A N ASP 337.A OD1 no hydrogen 3.154 N/A LYS 370.A N ASP 337.A OD2 no hydrogen 3.320 N/A THR 371.A N MET 368.A O no hydrogen 3.126 N/A THR 371.A OG1 ASP 337.A OD1 no hydrogen 2.708 N/A ASN 372.A ND2 GLU 342.A O no hydrogen 2.638 N/A ASN 372.A ND2 VAL 344.A O no hydrogen 3.151 N/A GLN 373.A NE2 LEU 364.A O no hydrogen 2.996 N/A MET 374.A N LEU 346.A O no hydrogen 2.937 N/A MET 375.A N GLY 429.A O no hydrogen 3.146 N/A GLU 376.A N ILE 348.A O no hydrogen 2.694 N/A VAL 377.A N ALA 431.A O no hydrogen 2.806 N/A GLN 378.A NE2 GLU 382.A OE1 no hydrogen 2.923 N/A ILE 379.A N VAL 433.A O no hydrogen 3.005 N/A THR 380.A N VAL 433.A O no hydrogen 3.149 N/A THR 380.A OG1 ARG 157.A O no hydrogen 2.591 N/A GLN 381.A N GLN 387.A OE1 no hydrogen 2.955 N/A GLN 381.A NE2 THR 384.A O no hydrogen 2.847 N/A GLN 381.A NE2 HIS 389.A O no hydrogen 3.050 N/A GLU 382.A N THR 380.A O no hydrogen 3.094 N/A TYR 383.A OH ASP 354.A OD2 no hydrogen 2.859 N/A THR 384.A N GLN 381.A O no hydrogen 3.326 N/A GLN 386.A N GLN 381.A O no hydrogen 2.636 N/A GLN 386.A NE2 GLU 382.A O no hydrogen 3.097 N/A GLN 386.A NE2 HIS 516.A O.A no hydrogen 2.911 N/A GLN 386.A NE2 HIS 516.A O.B no hydrogen 2.891 N/A GLN 387.A NE2 THR 443.A O no hydrogen 3.125 N/A LYS 388.A N GLY 385.A O no hydrogen 2.800 N/A HIS 389.A N GLY 385.A O no hydrogen 3.170 N/A HIS 389.A ND1 TYR 502.A OH no hydrogen 2.716 N/A HIS 389.A NE2 HIS 641.A ND1 no hydrogen 2.825 N/A LEU 390.A N GLN 638.A OE1 no hydrogen 2.868 N/A PHE 392.A N SER 495.A OG no hydrogen 2.854 N/A LEU 393.A N ASN 451.A OD1 no hydrogen 2.806 N/A TRP 397.A N LEU 393.A O no hydrogen 3.044 N/A LYS 398.A N ILE 394.A O no hydrogen 2.952 N/A LYS 398.A NZ LEU 464.A O no hydrogen 2.725 N/A GLU 399.A N PRO 395.A O no hydrogen 3.075 N/A VAL 400.A N GLN 396.A O no hydrogen 3.127 N/A LEU 401.A N TRP 397.A O no hydrogen 2.835 N/A ASP 402.A N LYS 398.A O no hydrogen 2.771 N/A PHE 403.A N VAL 400.A O no hydrogen 3.073 N/A THR 405.A N SER 412.A O no hydrogen 3.096 N/A THR 405.A OG1 SER 412.A O no hydrogen 2.721 N/A TYR 406.A N ASP 404.A OD1 no hydrogen 2.905 N/A ALA 407.A N THR 405.A OG1 no hydrogen 3.122 N/A LYS 408.A N SER 412.A OG no hydrogen 2.919 N/A LYS 408.A NZ LEU 422.A O no hydrogen 3.246 N/A GLY 409.A N TYR 406.A O no hydrogen 2.977 N/A GLY 411.A N ASP 404.A OD2 no hydrogen 2.762 N/A SER 412.A N ASP 404.A OD1 no hydrogen 2.923 N/A SER 412.A OG GLY 409.A O no hydrogen 2.802 N/A GLU 413.A N GLU 413.A OE1 no hydrogen 2.660 N/A VAL 414.A N PHE 403.A O no hydrogen 2.873 N/A LYS 415.A N LEU 401.A O no hydrogen 2.972 N/A LYS 415.A NZ ASP 402.A OD1 no hydrogen 2.904 N/A LYS 415.A NZ ASP 463.A OD1 no hydrogen 2.682 N/A LYS 416.A N.A GLU 413.A O no hydrogen 2.814 N/A LYS 416.A N.B GLU 413.A O no hydrogen 2.799 N/A LYS 416.A NZ.A GLY 411.A O no hydrogen 2.980 N/A LYS 416.A NZ.A GLU 413.A OE1 no hydrogen 3.255 N/A VAL 417.A N GLU 413.A O no hydrogen 3.262 N/A VAL 417.A N VAL 414.A O no hydrogen 2.807 N/A ILE 418.A N VAL 414.A O no hydrogen 2.890 N/A ASP 419.A N LYS 415.A O no hydrogen 2.892 N/A GLY 420.A N VAL 417.A O no hydrogen 3.265 N/A SER 421.A N ASP 419.A OD1 no hydrogen 2.765 N/A SER 421.A OG LYS 416.A O.A no hydrogen 3.303 N/A SER 421.A OG LYS 416.A O.B no hydrogen 3.285 N/A SER 421.A OG ASP 419.A OD1 no hydrogen 2.757 N/A LEU 422.A N LYS 416.A O.A no hydrogen 3.030 N/A LEU 422.A N LYS 416.A O.B no hydrogen 3.009 N/A TYR 425.A N GLY 420.A O no hydrogen 2.948 N/A TYR 425.A OH MET 368.A O no hydrogen 2.665 N/A TYR 427.A N ASN 372.A OD1 no hydrogen 3.519 N/A SER 428.A OG ILE 418.A O no hydrogen 2.849 N/A ILE 430.A N LEU 142.A O.A no hydrogen 2.927 N/A ILE 430.A N LEU 142.A O.B no hydrogen 2.929 N/A ALA 431.A N MET 375.A O no hydrogen 2.757 N/A GLY 432.A N MET 144.A O no hydrogen 2.892 N/A VAL 433.A N VAL 377.A O no hydrogen 2.944 N/A SER 434.A N ASN 146.A O no hydrogen 2.799 N/A ASN 435.A ND2 ALA 448.A O no hydrogen 3.036 N/A ILE 436.A N SER 434.A OG no hydrogen 3.182 N/A GLY 437.A N TRP 442.A O no hydrogen 2.837 N/A SER 438.A N ARG 162.A O no hydrogen 2.548 N/A SER 438.A OG ARG 162.A O no hydrogen 3.497 N/A ASP 439.A N ALA 160.A O no hydrogen 2.962 N/A ASN 441.A ND2 GLY 444.A O no hydrogen 2.879 N/A TRP 442.A N ASP 439.A O no hydrogen 2.781 N/A TRP 442.A NE1 GLU 4.A O no hydrogen 2.800 N/A THR 443.A N ASN 441.A O no hydrogen 2.692 N/A THR 443.A OG1 HIS 445.A O no hydrogen 2.693 N/A GLY 444.A N ASN 441.A OD1 no hydrogen 3.024 N/A HIS 445.A N THR 443.A O no hydrogen 2.734 N/A LEU 447.A N HIS 445.A ND1 no hydrogen 3.134 N/A ALA 448.A N HIS 445.A O no hydrogen 2.846 N/A GLN 449.A N THR 446.A O no hydrogen 3.179 N/A GLN 449.A NE2 GLU 4.A OE1 no hydrogen 2.904 N/A GLN 449.A NE2 ASN 441.A O no hydrogen 2.931 N/A ALA 450.A N LEU 447.A O no hydrogen 3.101 N/A ASN 451.A N ALA 448.A O no hydrogen 2.974 N/A ASN 451.A ND2 CYS 391.A O no hydrogen 3.022 N/A LEU 452.A N GLN 449.A O no hydrogen 3.154 N/A TYR 453.A N GLN 449.A O no hydrogen 3.113 N/A TYR 453.A OH GLU 472.A OE1 no hydrogen 2.742 N/A GLY 454.A N ALA 450.A O no hydrogen 2.785 N/A PHE 455.A N ASN 451.A O no hydrogen 2.936 N/A GLY 456.A N LEU 452.A O no hydrogen 3.226 N/A ARG 457.A N TYR 453.A O no hydrogen 3.055 N/A ARG 457.A NE GLU 472.A OE1 no hydrogen 2.743 N/A ARG 457.A NH2 GLU 472.A OE1 no hydrogen 3.364 N/A ARG 457.A NH2 GLU 472.A OE2 no hydrogen 2.918 N/A LEU 458.A N GLY 454.A O no hydrogen 2.982 N/A ALA 459.A N PHE 455.A O no hydrogen 2.861 N/A TRP 460.A N GLY 456.A O no hydrogen 2.939 N/A TRP 460.A NE1 GLU 136.A OE1 no hydrogen 2.804 N/A ASN 461.A N ARG 457.A O no hydrogen 2.892 N/A ASP 463.A N ASN 461.A OD1 no hydrogen 2.888 N/A LEU 464.A N ASN 461.A O no hydrogen 3.041 N/A SER 465.A N GLU 468.A OE2 no hydrogen 2.952 N/A SER 465.A OG GLU 468.A OE2 no hydrogen 3.388 N/A GLU 468.A N SER 465.A OG no hydrogen 2.929 N/A ILE 469.A N SER 465.A O no hydrogen 3.202 N/A ALA 470.A N ALA 466.A O no hydrogen 2.997 N/A ASN 471.A N GLU 467.A O no hydrogen 2.953 N/A GLU 472.A N GLU 468.A O no hydrogen 2.811 N/A TRP 473.A N ILE 469.A O no hydrogen 3.008 N/A VAL 474.A N ALA 470.A O no hydrogen 2.819 N/A VAL 475.A N ASN 471.A O no hydrogen 2.970 N/A GLN 476.A N GLU 472.A O no hydrogen 3.049 N/A GLN 476.A NE2 TYR 453.A OH no hydrogen 2.902 N/A GLN 476.A NE2 GLU 472.A O no hydrogen 2.971 N/A THR 477.A N TRP 473.A O no hydrogen 2.924 N/A THR 477.A OG1 TRP 473.A O no hydrogen 2.932 N/A PHE 478.A N VAL 474.A O no hydrogen 2.637 N/A GLY 479.A N VAL 475.A O no hydrogen 2.934 N/A GLN 483.A N ASP 481.A OD1 no hydrogen 2.840 N/A VAL 484.A N ASP 481.A OD1 no hydrogen 3.307 N/A VAL 485.A N ASP 481.A O no hydrogen 2.859 N/A GLU 486.A N SER 482.A O no hydrogen 2.981 N/A THR 487.A N GLN 483.A O no hydrogen 2.877 N/A THR 487.A OG1 GLN 483.A O no hydrogen 2.908 N/A ILE 488.A N VAL 484.A O no hydrogen 3.017 N/A SER 489.A N VAL 485.A O no hydrogen 3.099 N/A SER 489.A OG VAL 485.A O no hydrogen 2.610 N/A TRP 490.A N GLU 486.A O no hydrogen 3.040 N/A MET 491.A N THR 487.A O no hydrogen 3.009 N/A LEU 492.A N ILE 488.A O no hydrogen 2.983 N/A LEU 493.A N SER 489.A O no hydrogen 2.897 N/A SER 494.A N.A TRP 490.A O no hydrogen 3.060 N/A SER 494.A N.B TRP 490.A O no hydrogen 3.060 N/A SER 494.A OG.A TRP 490.A O no hydrogen 2.833 N/A SER 494.A OG.B TRP 490.A O no hydrogen 3.055 N/A SER 495.A N MET 491.A O no hydrogen 2.991 N/A SER 495.A N LEU 492.A O no hydrogen 3.265 N/A SER 495.A OG LEU 492.A O no hydrogen 2.649 N/A TRP 496.A NE1 VAL 357.A O no hydrogen 2.937 N/A ARG 497.A NH1 GLU 500.A OE1 no hydrogen 2.885 N/A ILE 498.A N SER 494.A O.A no hydrogen 3.152 N/A ILE 498.A N SER 494.A O.B no hydrogen 3.150 N/A TYR 499.A N SER 495.A O no hydrogen 2.969 N/A GLU 500.A N TRP 496.A O no hydrogen 2.912 N/A ASN 501.A N ARG 497.A O no hydrogen 2.848 N/A ASN 501.A ND2 GLN 608.A OE1 no hydrogen 2.947 N/A TYR 502.A N TYR 499.A O no hydrogen 3.303 N/A TYR 502.A OH HIS 389.A ND1 no hydrogen 2.716 N/A THR 503.A N GLU 500.A O no hydrogen 3.093 N/A THR 503.A OG1 TYR 499.A O no hydrogen 2.842 N/A THR 503.A OG1 GLU 500.A O no hydrogen 3.224 N/A SER 504.A OG.A GLY 509.A O no hydrogen 2.702 N/A VAL 508.A N PRO 505.A O no hydrogen 3.149 N/A TRP 510.A N GLN 356.A OE1 no hydrogen 2.792 N/A ASN 513.A N GLY 519.A O no hydrogen 2.858 N/A ASN 513.A ND2 TYR 518.A O no hydrogen 2.794 N/A GLY 515.A N TYR 525.A OH no hydrogen 2.913 N/A HIS 516.A NE2.B TYR 518.A O no hydrogen 3.004 N/A HIS 517.A ND1 GLU 382.A OE2 no hydrogen 2.696 N/A HIS 517.A NE2 TYR 525.A OH no hydrogen 2.807 N/A ASN 521.A N MET 511.A O no hydrogen 2.916 N/A ASN 521.A ND2 ASN 513.A OD1 no hydrogen 2.860 N/A GLY 524.A N ASN 521.A O no hydrogen 2.853 N/A TYR 525.A OH HIS 517.A NE2 no hydrogen 2.807 N/A GLU 526.A N ASP 523.A O no hydrogen 3.153 N/A SER 528.A N.A TYR 525.A O no hydrogen 3.145 N/A SER 528.A N.B TYR 525.A O no hydrogen 3.122 N/A SER 528.A OG.A TYR 525.A O no hydrogen 2.723 N/A TRP 530.A N SER 528.A OG.A no hydrogen 3.388 N/A GLY 531.A N TYR 533.A OH no hydrogen 2.979 N/A THR 532.A OG1 THR 532.A O no hydrogen 2.639 N/A TYR 533.A OH SER 528.A O.A no hydrogen 2.661 N/A TYR 533.A OH SER 528.A O.B no hydrogen 2.654 N/A HIS 534.A N GLU 526.A OE1 no hydrogen 2.872 N/A HIS 534.A NE2 VAL 522.A O no hydrogen 2.804 N/A TYR 535.A N GLU 526.A OE2 no hydrogen 2.746 N/A ALA 536.A N HIS 534.A ND1 no hydrogen 3.070 N/A ASP 537.A N GLY 540.A O no hydrogen 2.947 N/A ASP 539.A N ASP 537.A OD1 no hydrogen 2.890 N/A GLY 540.A N ASP 537.A OD1 no hydrogen 2.897 N/A ILE 541.A N VAL 582.A O no hydrogen 2.812 N/A GLY 542.A N HIS 534.A O no hydrogen 2.854 N/A VAL 543.A N LEU 577.A O no hydrogen 3.031 N/A ARG 545.A N PHE 579.A O no hydrogen 2.824 N/A ARG 545.A NE ASP 324.A OD1 no hydrogen 3.194 N/A ARG 545.A NE ASP 324.A OD2 no hydrogen 2.854 N/A ARG 545.A NH1 PHE 578.A O no hydrogen 2.769 N/A ARG 545.A NH2 ASP 324.A OD1 no hydrogen 3.071 N/A THR 546.A N ASP 544.A OD1 no hydrogen 3.068 N/A THR 546.A OG1 ASP 544.A OD1 no hydrogen 2.613 N/A THR 546.A OG1 THR 549.A OG1 no hydrogen 3.204 N/A VAL 547.A N GLU 566.A OE1 no hydrogen 2.894 N/A ALA 548.A N GLU 566.A OE2 no hydrogen 3.060 N/A THR 549.A N THR 546.A OG1 no hydrogen 3.112 N/A THR 549.A OG1 ASP 544.A OD2 no hydrogen 2.569 N/A THR 549.A OG1 THR 546.A OG1 no hydrogen 3.204 N/A GLY 550.A N THR 546.A OG1 no hydrogen 3.040 N/A THR 551.A N ASP 544.A O no hydrogen 3.042 N/A THR 551.A OG1 ASP 324.A OD2 no hydrogen 2.797 N/A GLY 552.A N THR 546.A O no hydrogen 2.940 N/A TYR 553.A N THR 551.A OG1 no hydrogen 3.357 N/A TYR 553.A OH TYR 557.A OH no hydrogen 2.831 N/A THR 554.A N.A ARG 545.A O no hydrogen 3.227 N/A THR 554.A N.B ARG 545.A O no hydrogen 3.245 N/A THR 554.A OG1.A ALA 562.A O no hydrogen 2.704 N/A THR 554.A OG1.B GLU 566.A OE1 no hydrogen 2.788 N/A ALA 555.A N GLY 552.A O no hydrogen 3.164 N/A GLN 556.A N TYR 553.A O no hydrogen 2.945 N/A GLN 556.A NE2 LYS 327.A O no hydrogen 3.197 N/A TYR 557.A N THR 554.A O.A no hydrogen 3.248 N/A TYR 557.A N THR 554.A O.B no hydrogen 3.271 N/A TYR 557.A OH VAL 361.A O no hydrogen 2.600 N/A TYR 557.A OH TYR 553.A OH no hydrogen 2.831 N/A GLU 560.A N GLU 560.A OE1 no hydrogen 2.595 N/A ASN 561.A ND2 ASP 404.A O no hydrogen 2.890 N/A ALA 562.A N PHE 558.A O no hydrogen 2.963 N/A ALA 563.A N PRO 559.A O no hydrogen 2.943 N/A MET 564.A N.A GLU 560.A O no hydrogen 3.417 N/A MET 564.A N.B GLU 560.A O no hydrogen 3.422 N/A TYR 565.A N ASN 561.A O no hydrogen 3.115 N/A GLU 566.A N ALA 562.A O no hydrogen 2.747 N/A SER 567.A N ALA 563.A O no hydrogen 3.276 N/A SER 567.A OG ASP 569.A OD1 no hydrogen 2.465 N/A ASP 569.A N SER 567.A OG no hydrogen 3.281 N/A THR 570.A N.A SER 567.A OG no hydrogen 3.418 N/A THR 570.A N.B SER 567.A OG no hydrogen 3.417 N/A THR 570.A OG1.A MET 564.A O.A no hydrogen 2.679 N/A THR 570.A OG1.A MET 564.A O.B no hydrogen 2.702 N/A CYS 571.A N SER 567.A O no hydrogen 2.937 N/A CYS 571.A SG TYR 565.A O no hydrogen 4.028 N/A CYS 571.A SG PRO 572.A O no hydrogen 3.761 N/A GLU 574.A N GLU 574.A OE1 no hydrogen 2.811 N/A LEU 575.A N PRO 572.A O no hydrogen 3.181 N/A LEU 576.A N ASP 573.A O no hydrogen 2.979 N/A LEU 577.A N LEU 506.A O no hydrogen 3.137 N/A PHE 578.A N LEU 575.A O no hydrogen 2.990 N/A PHE 579.A N LEU 576.A O no hydrogen 3.103 N/A HIS 580.A N LEU 576.A O no hydrogen 2.801 N/A HIS 580.A NE2 TYR 565.A O no hydrogen 2.685 N/A HIS 581.A ND1 GLY 542.A O no hydrogen 2.592 N/A VAL 582.A N ILE 541.A O no hydrogen 2.791 N/A TYR 584.A N ASP 539.A O no hydrogen 2.962 N/A TYR 584.A OH ASP 537.A O no hydrogen 2.808 N/A HIS 586.A N PRO 583.A O no hydrogen 2.919 N/A ARG 587.A NH1 GLY 591.A O no hydrogen 2.855 N/A LEU 588.A N GLU 592.A O no hydrogen 2.820 N/A HIS 589.A N ASP 573.A OD1 no hydrogen 2.935 N/A HIS 589.A NE2 CYS 571.A O no hydrogen 3.175 N/A SER 590.A N ASP 573.A OD2 no hydrogen 3.185 N/A SER 590.A OG GLU 592.A OE1 no hydrogen 2.597 N/A GLY 591.A N LEU 588.A O no hydrogen 2.784 N/A GLU 592.A N SER 590.A OG no hydrogen 3.303 N/A VAL 594.A N HIS 586.A O no hydrogen 2.889 N/A ILE 595.A N TYR 584.A O no hydrogen 3.028 N/A GLN 596.A N THR 593.A OG1 no hydrogen 2.982 N/A GLN 596.A NE2 ASN 600.A OD1 no hydrogen 2.909 N/A GLN 596.A NE2 ASP 661.A OD1 no hydrogen 2.761 N/A HIS 597.A N THR 593.A O no hydrogen 2.855 N/A HIS 597.A ND1 GLU 592.A OE1 no hydrogen 2.781 N/A ILE 598.A N VAL 594.A O no hydrogen 3.126 N/A TYR 599.A N ILE 595.A O no hydrogen 3.155 N/A TYR 599.A OH ILE 659.A O no hydrogen 2.660 N/A ASN 600.A N GLN 596.A O no hydrogen 2.785 N/A ASN 600.A ND2 GLU 592.A OE2 no hydrogen 2.917 N/A THR 601.A N HIS 597.A O no hydrogen 2.978 N/A THR 601.A OG1 ASN 501.A O no hydrogen 2.899 N/A THR 601.A OG1 HIS 597.A O no hydrogen 3.285 N/A THR 601.A OG1 ILE 598.A O no hydrogen 3.449 N/A THR 601.A OG1 HIS 602.A ND1 no hydrogen 3.336 N/A HIS 602.A N ILE 598.A O no hydrogen 3.200 N/A HIS 602.A ND1 ILE 598.A O no hydrogen 2.587 N/A HIS 602.A NE2 THR 503.A O no hydrogen 2.668 N/A PHE 603.A N TYR 599.A O no hydrogen 2.964 N/A GLU 604.A N ASN 600.A O no hydrogen 2.914 N/A GLY 605.A N THR 601.A O no hydrogen 2.773 N/A GLU 607.A N.A PHE 603.A O no hydrogen 3.380 N/A GLU 607.A N.B PHE 603.A O no hydrogen 3.364 N/A GLN 608.A N GLU 604.A O no hydrogen 2.911 N/A ALA 609.A N GLY 605.A O no hydrogen 2.954 N/A LYS 610.A N VAL 606.A O no hydrogen 2.986 N/A LYS 610.A NZ GLU 607.A OE2.A no hydrogen 3.199 N/A GLN 611.A N GLU 607.A O.A no hydrogen 3.128 N/A GLN 611.A N GLU 607.A O.B no hydrogen 3.158 N/A LEU 612.A N GLN 608.A O no hydrogen 2.991 N/A ARG 613.A N ALA 609.A O no hydrogen 3.189 N/A LYS 614.A N LYS 610.A O no hydrogen 2.922 N/A ARG 615.A N GLN 611.A O no hydrogen 2.874 N/A ARG 615.A NH2 GLU 486.A OE1 no hydrogen 2.902 N/A ARG 615.A NH2 THR 487.A OG1 no hydrogen 3.023 N/A TRP 616.A N LEU 612.A O no hydrogen 3.146 N/A TRP 616.A NE1 TYR 628.A O no hydrogen 2.945 N/A GLU 617.A N ARG 613.A O no hydrogen 2.929 N/A GLN 618.A N LYS 614.A O no hydrogen 3.161 N/A LEU 619.A N TRP 616.A O no hydrogen 2.800 N/A LYS 620.A N GLU 617.A O no hydrogen 3.112 N/A LYS 620.A NZ GLU 625.A OE2 no hydrogen 3.321 N/A LYS 622.A N LEU 619.A O no hydrogen 2.750 N/A LYS 622.A NZ ASP 481.A OD1 no hydrogen 3.065 N/A LYS 622.A NZ ASP 481.A OD2 no hydrogen 3.155 N/A LYS 622.A NZ GLN 483.A OE1 no hydrogen 2.762 N/A ARG 627.A N ASP 624.A OD2 no hydrogen 2.954 N/A ARG 627.A NE ASP 624.A OD1 no hydrogen 2.695 N/A ARG 627.A NH1 THR 477.A O no hydrogen 2.933 N/A ARG 627.A NH2 THR 477.A O no hydrogen 3.145 N/A ARG 627.A NH2 ASP 624.A OD1 no hydrogen 3.344 N/A TYR 628.A N ASP 624.A O no hydrogen 2.958 N/A TYR 628.A OH GLU 617.A O no hydrogen 3.383 N/A HIS 629.A N GLU 625.A O no hydrogen 2.965 N/A HIS 629.A NE2 GLU 625.A OE1 no hydrogen 2.709 N/A ASP 630.A N LYS 626.A O no hydrogen 2.920 N/A VAL 631.A N ARG 627.A O no hydrogen 3.115 N/A LEU 632.A N TYR 628.A O no hydrogen 2.996 N/A GLU 633.A N HIS 629.A O no hydrogen 2.948 N/A ARG 634.A NH1 GLN 387.A O no hydrogen 2.845 N/A LEU 635.A N VAL 631.A O no hydrogen 2.875 N/A THR 636.A N LEU 632.A O no hydrogen 2.923 N/A THR 636.A OG1 LEU 632.A O no hydrogen 3.312 N/A ILE 637.A N GLU 633.A O no hydrogen 3.090 N/A GLN 638.A N ARG 634.A O no hydrogen 2.793 N/A GLN 638.A NE2 TYR 502.A OH no hydrogen 2.942 N/A VAL 639.A N LEU 635.A O no hydrogen 2.927 N/A GLU 640.A N THR 636.A O no hydrogen 3.096 N/A HIS 641.A N ILE 637.A O no hydrogen 3.027 N/A HIS 641.A ND1 HIS 389.A NE2 no hydrogen 2.825 N/A ALA 642.A N GLN 638.A O no hydrogen 2.780 N/A LYS 643.A N VAL 639.A O no hydrogen 3.202 N/A LYS 643.A NZ GLU 640.A OE2 no hydrogen 3.151 N/A TRP 645.A N HIS 641.A O no hydrogen 2.950 N/A ARG 646.A N ALA 642.A O no hydrogen 2.865 N/A ARG 646.A NE ASP 647.A OD1 no hydrogen 2.900 N/A ARG 646.A NH2 ASP 647.A OD1 no hydrogen 3.356 N/A ARG 646.A NH2 ASP 647.A OD2 no hydrogen 3.049 N/A ASP 647.A N LYS 643.A O no hydrogen 2.989 N/A VAL 648.A N GLU 644.A O no hydrogen 2.902 N/A ILE 649.A N TRP 645.A O no hydrogen 3.097 N/A ASN 650.A N ARG 646.A O no hydrogen 2.941 N/A THR 651.A N ASP 647.A O no hydrogen 2.925 N/A THR 651.A OG1 ASP 647.A O no hydrogen 3.027 N/A THR 651.A OG1 TYR 668.A O no hydrogen 2.658 N/A TYR 652.A N VAL 648.A O no hydrogen 2.948 N/A TYR 652.A OH ASP 523.A OD1 no hydrogen 2.587 N/A PHE 653.A N ILE 649.A O no hydrogen 3.080 N/A TYR 654.A N ASN 650.A O no hydrogen 2.876 N/A ARG 655.A N THR 651.A O no hydrogen 2.772 N/A ARG 655.A NE ARG 669.A O no hydrogen 2.772 N/A ARG 655.A NH2 ARG 669.A OXT no hydrogen 2.773 N/A LYS 656.A N TYR 652.A O no hydrogen 3.034 N/A LYS 656.A NZ ALA 536.A O no hydrogen 2.914 N/A LYS 656.A NZ TYR 652.A OH no hydrogen 2.747 N/A SER 657.A N PHE 653.A O no hydrogen 2.753 N/A SER 657.A OG PHE 653.A O no hydrogen 2.687 N/A GLY 658.A N TYR 654.A O no hydrogen 2.703 N/A ILE 659.A N SER 657.A OG no hydrogen 3.027 N/A GLN 662.A N GLN 596.A OE1 no hydrogen 2.780 N/A TYR 663.A N ASP 661.A OD1 no hydrogen 3.409 N/A GLY 664.A N ASP 661.A O no hydrogen 2.974 N/A ARG 665.A N ASP 661.A OD2 no hydrogen 2.749 N/A ARG 665.A NE ASP 661.A OD2 no hydrogen 2.997 N/A ARG 665.A NH1 GLU 604.A OE2 no hydrogen 2.963 N/A ARG 665.A NH2 ASN 600.A OD1 no hydrogen 2.902 N/A ARG 665.A NH2 ASP 661.A OD1 no hydrogen 2.995 N/A