Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4khq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 22.A O no hydrogen 3.232 N/A PHE 4.A N ILE 20.A O no hydrogen 3.244 N/A TYR 5.A OH ILE 350.A O no hydrogen 2.664 N/A LEU 6.A N ARG 18.A O no hydrogen 2.712 N/A THR 7.A N ARG 18.A O no hydrogen 3.224 N/A THR 7.A OG1 GLY 264.A O no hydrogen 3.385 N/A GLU 9.A N PHE 16.A O no hydrogen 2.923 N/A GLN 10.A NE2 GLY 12.A O no hydrogen 3.203 N/A ILE 11.A N SER 14.A O no hydrogen 2.866 N/A SER 14.A N ILE 11.A O no hydrogen 3.184 N/A SER 14.A OG GLU 30.A OE2 no hydrogen 2.722 N/A ILE 15.A N VAL 31.A O no hydrogen 2.760 N/A PHE 16.A N GLU 9.A O no hydrogen 2.920 N/A GLU 17.A N ARG 29.A O no hydrogen 3.016 N/A ARG 18.A N THR 7.A O no hydrogen 3.080 N/A ARG 18.A NH1 PRO 210.A O no hydrogen 2.881 N/A ARG 18.A NH1 GLY 264.A O no hydrogen 2.806 N/A ARG 18.A NH2 GLU 26.A OE2 no hydrogen 2.885 N/A ARG 18.A NH2 THR 209.A O no hydrogen 2.870 N/A TYR 19.A N ARG 27.A O no hydrogen 2.812 N/A ILE 20.A N PHE 4.A O no hydrogen 2.923 N/A ASP 21.A N ARG 25.A O no hydrogen 2.901 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 2.990 N/A GLY 24.A N ASP 21.A O no hydrogen 2.956 N/A ARG 25.A N ASP 21.A OD1 no hydrogen 2.791 N/A ARG 27.A N TYR 19.A O no hydrogen 2.718 N/A ARG 27.A NE ASP 21.A OD2 no hydrogen 2.674 N/A ARG 29.A N GLU 17.A O no hydrogen 2.915 N/A ARG 29.A NE GLU 17.A OE2 no hydrogen 2.896 N/A ARG 29.A NH2 GLU 17.A OE2 no hydrogen 3.073 N/A VAL 31.A N ILE 15.A O no hydrogen 2.840 N/A TYR 33.A N VAL 31.A O no hydrogen 2.858 N/A TYR 33.A OH ASP 95.A OD1 no hydrogen 2.514 N/A LEU 37.A N LYS 60.A O no hydrogen 3.150 N/A PHE 38.A N LEU 83.A O no hydrogen 2.759 N/A ALA 39.A N THR 58.A O no hydrogen 3.300 N/A HIS 40.A NE2 ASP 51.A OD2 no hydrogen 2.894 N/A CYS 41.A N PRO 56.A O no hydrogen 3.137 N/A CYS 41.A SG PRO 42.A O no hydrogen 3.484 N/A GLN 45.A N PRO 42.A O no hydrogen 3.207 N/A THR 47.A OG1 CYS 57.A O no hydrogen 2.916 N/A TYR 49.A N THR 47.A OG1 no hydrogen 3.150 N/A ASP 51.A N LYS 55.A O no hydrogen 2.825 N/A TYR 53.A N ASP 51.A OD1 no hydrogen 2.896 N/A GLY 54.A N ASP 51.A O no hydrogen 2.987 N/A LYS 55.A N ASP 51.A OD1 no hydrogen 2.820 N/A CYS 57.A N TYR 49.A O no hydrogen 3.060 N/A CYS 57.A SG LYS 55.A O no hydrogen 3.723 N/A THR 58.A N ALA 39.A O no hydrogen 2.991 N/A ARG 59.A NH1 SER 36.A OG no hydrogen 3.104 N/A LYS 60.A N LEU 37.A O no hydrogen 2.782 N/A PHE 62.A N PRO 35.A O no hydrogen 3.228 N/A ARG 66.A N ASP 13.A OD1 no hydrogen 3.049 N/A ASP 67.A N ASN 64.A OD1 no hydrogen 2.933 N/A ALA 68.A N ASN 64.A O no hydrogen 3.344 N/A SER 69.A N MET 65.A O no hydrogen 3.028 N/A SER 69.A OG MET 65.A O no hydrogen 3.165 N/A GLN 70.A N ARG 66.A O no hydrogen 2.949 N/A TRP 71.A N ASP 67.A O no hydrogen 3.047 N/A ILE 72.A N ALA 68.A O no hydrogen 3.133 N/A LYS 73.A N SER 69.A O no hydrogen 3.196 N/A LYS 73.A NZ ASP 77.A OD1 no hydrogen 3.114 N/A LYS 73.A NZ ASP 77.A OD2 no hydrogen 2.682 N/A ARG 74.A N GLN 70.A O no hydrogen 3.026 N/A MET 75.A N TRP 71.A O no hydrogen 2.852 N/A GLU 76.A N ILE 72.A O no hydrogen 3.028 N/A ASP 77.A N LYS 73.A O no hydrogen 2.989 N/A ILE 78.A N ARG 74.A O no hydrogen 2.944 N/A GLY 79.A N MET 75.A O no hydrogen 2.904 N/A LEU 80.A N MET 75.A O no hydrogen 2.996 N/A ALA 82.A N GLN 379.A OE1 no hydrogen 2.856 N/A LEU 83.A N PHE 38.A O no hydrogen 2.839 N/A GLY 84.A N ILE 377.A O no hydrogen 3.124 N/A ASP 86.A N ASP 86.A OD2 no hydrogen 2.571 N/A LYS 89.A N ASP 87.A OD1 no hydrogen 3.354 N/A LYS 89.A NZ ASP 87.A OD1 no hydrogen 3.071 N/A LEU 90.A N ASP 87.A O no hydrogen 3.087 N/A ALA 91.A N ASP 87.A O no hydrogen 3.353 N/A TYR 92.A N PHE 88.A O no hydrogen 2.877 N/A TYR 92.A OH GLU 17.A OE2 no hydrogen 2.613 N/A LEU 93.A N LYS 89.A O no hydrogen 3.011 N/A SER 94.A N LEU 90.A O no hydrogen 2.980 N/A SER 94.A OG ASN 368.A OD1 no hydrogen 2.704 N/A ASP 95.A N ALA 91.A O no hydrogen 2.926 N/A THR 96.A N TYR 92.A O no hydrogen 2.795 N/A THR 96.A OG1 TYR 92.A O no hydrogen 2.689 N/A TYR 97.A N LEU 93.A O no hydrogen 2.833 N/A TYR 97.A OH GLU 17.A OE1 no hydrogen 2.461 N/A TYR 99.A OH GLU 3.A O no hydrogen 2.648 N/A TYR 103.A OH ASP 343.A OD1 no hydrogen 2.466 N/A THR 106.A N ASP 104.A OD1 no hydrogen 3.200 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 2.637 N/A LYS 107.A N ASP 104.A O no hydrogen 3.044 N/A ILE 108.A N HIS 105.A O no hydrogen 2.995 N/A ARG 109.A NH1 ASP 140.A OD2 no hydrogen 2.895 N/A VAL 110.A N SER 141.A OG no hydrogen 2.901 N/A ALA 111.A N ILE 212.A O no hydrogen 2.816 N/A ASN 112.A N.A TYR 139.A O no hydrogen 2.939 N/A ASN 112.A N.B TYR 139.A O no hydrogen 2.953 N/A PHE 113.A N THR 214.A O no hydrogen 3.286 N/A ASP 114.A N THR 137.A O no hydrogen 3.050 N/A GLU 116.A N ALA 135.A O no hydrogen 2.815 N/A THR 118.A N ASP 134.A OD2 no hydrogen 3.253 N/A THR 118.A OG1 ASP 134.A OD2 no hydrogen 2.851 N/A THR 118.A OG1 TYR 317.A OH no hydrogen 3.374 N/A SER 119.A OG ASP 121.A OD1 no hydrogen 3.111 N/A SER 119.A OG GLY 122.A O no hydrogen 2.546 N/A SER 119.A OG HIS 131.A NE2 no hydrogen 3.034 N/A SER 127.A OG GLN 128.A OE1 no hydrogen 3.484 N/A SER 127.A OG SER 256.A O no hydrogen 3.017 N/A GLN 128.A N GLU 125.A O no hydrogen 3.018 N/A ALA 129.A N GLU 125.A O no hydrogen 2.785 N/A HIS 131.A N TYR 225.A OH no hydrogen 2.993 N/A HIS 131.A ND1 TYR 156.A OH no hydrogen 2.640 N/A ILE 133.A N GLU 194.A OE1 no hydrogen 2.932 N/A ASP 134.A N GLU 116.A O no hydrogen 3.157 N/A ILE 136.A N PHE 149.A O no hydrogen 2.904 N/A THR 137.A N ASP 114.A O no hydrogen 3.029 N/A THR 137.A OG1 ASN 321.A OD1 no hydrogen 2.520 N/A HIS 138.A N TYR 147.A O no hydrogen 2.809 N/A HIS 138.A ND1 TYR 201.A OH no hydrogen 2.864 N/A TYR 139.A N ASN 112.A O.A no hydrogen 2.619 N/A TYR 139.A N ASN 112.A O.B no hydrogen 2.790 N/A TYR 139.A OH ASP 144.A OD1 no hydrogen 2.566 N/A ASP 140.A N ARG 145.A O no hydrogen 3.107 N/A SER 141.A N VAL 110.A O no hydrogen 3.048 N/A SER 141.A OG ILE 108.A O no hydrogen 3.375 N/A SER 141.A OG VAL 110.A O no hydrogen 3.310 N/A ASP 143.A N ASP 140.A OD1 no hydrogen 2.854 N/A ARG 145.A N ASP 140.A O no hydrogen 3.401 N/A ARG 145.A NH1 ASP 144.A O no hydrogen 2.968 N/A PHE 146.A N LYS 185.A O no hydrogen 2.740 N/A TYR 147.A N HIS 138.A O no hydrogen 2.855 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.680 N/A VAL 148.A N ILE 187.A O no hydrogen 2.883 N/A PHE 149.A N ILE 136.A O no hydrogen 2.661 N/A ASP 150.A N MET 189.A O no hydrogen 2.870 N/A LEU 151.A N ASP 134.A O no hydrogen 3.153 N/A LEU 152.A N PHE 191.A O no hydrogen 2.975 N/A ASN 153.A ND2 ASP 192.A O no hydrogen 2.970 N/A SER 154.A N GLY 157.A O no hydrogen 3.295 N/A TYR 156.A N SER 154.A OG no hydrogen 3.080 N/A TYR 156.A OH HIS 131.A ND1 no hydrogen 2.640 N/A GLY 157.A N SER 154.A O no hydrogen 3.003 N/A VAL 159.A N LEU 152.A O no hydrogen 2.894 N/A TRP 162.A N TYR 188.A OH no hydrogen 2.960 N/A TRP 162.A NE1 SER 319.A OG no hydrogen 2.906 N/A SER 163.A N GLN 315.A OE1 no hydrogen 2.801 N/A SER 163.A OG GLU 165.A OE1 no hydrogen 3.038 N/A ILE 166.A N SER 163.A OG no hydrogen 3.185 N/A ALA 167.A N SER 163.A O no hydrogen 2.959 N/A ALA 168.A N ILE 164.A O no hydrogen 3.148 N/A LYS 169.A N ILE 166.A O no hydrogen 3.265 N/A LEU 170.A N GLN 173.A OE1 no hydrogen 3.240 N/A GLN 171.A N GLU 177.A OE2 no hydrogen 2.718 N/A GLN 171.A NE2 TYR 320.A OH no hydrogen 3.497 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.794 N/A GLN 173.A N LEU 170.A O no hydrogen 2.883 N/A GLY 174.A N GLN 171.A O no hydrogen 2.893 N/A GLY 175.A N LEU 170.A O no hydrogen 2.771 N/A ASP 176.A N ILE 166.A O no hydrogen 3.295 N/A GLU 177.A N LYS 169.A O no hydrogen 2.906 N/A VAL 178.A N ALA 167.A O no hydrogen 2.963 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.671 N/A ILE 182.A N PRO 179.A O no hydrogen 3.158 N/A LYS 185.A N ILE 182.A O no hydrogen 2.923 N/A LYS 185.A NZ ASP 144.A OD1 no hydrogen 3.425 N/A LYS 185.A NZ ASP 144.A OD2 no hydrogen 2.705 N/A ILE 186.A N ILE 183.A O no hydrogen 3.393 N/A ILE 187.A N PHE 146.A O no hydrogen 2.811 N/A TYR 188.A OH ASP 150.A OD2 no hydrogen 2.545 N/A MET 189.A N VAL 148.A O no hydrogen 2.792 N/A PHE 191.A N ASP 150.A O no hydrogen 2.853 N/A ASN 193.A ND2 GLU 196.A OE2 no hydrogen 2.948 N/A GLU 196.A N ASN 193.A OD1 no hydrogen 3.446 N/A LEU 197.A N ASN 193.A O no hydrogen 3.310 N/A LEU 198.A N GLU 194.A O no hydrogen 2.881 N/A MET 199.A N LYS 195.A O no hydrogen 2.977 N/A GLU 200.A N GLU 196.A O no hydrogen 3.042 N/A TYR 201.A N LEU 197.A O no hydrogen 2.818 N/A TYR 201.A OH HIS 138.A ND1 no hydrogen 2.864 N/A LEU 202.A N LEU 198.A O no hydrogen 2.957 N/A ASN 203.A N MET 199.A O no hydrogen 3.101 N/A PHE 204.A N GLU 200.A O no hydrogen 2.915 N/A TRP 205.A N TYR 201.A O no hydrogen 2.817 N/A TRP 205.A NE1 LEU 242.A O no hydrogen 3.052 N/A GLN 206.A N LEU 202.A O no hydrogen 3.012 N/A GLN 207.A N ASN 203.A O no hydrogen 3.247 N/A LYS 208.A N PHE 204.A O no hydrogen 2.967 N/A LYS 208.A NZ ASP 143.A OD2 no hydrogen 2.712 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.800 N/A THR 209.A OG1 GLN 206.A O no hydrogen 3.260 N/A VAL 211.A N ARG 109.A O no hydrogen 2.825 N/A ILE 212.A N ARG 109.A O no hydrogen 3.133 N/A LEU 213.A N SER 266.A O no hydrogen 3.003 N/A THR 214.A N ALA 111.A O no hydrogen 2.863 N/A THR 214.A OG1 LEU 268.A O no hydrogen 2.738 N/A GLY 215.A N THR 214.A OG1 no hydrogen 2.574 N/A TRP 216.A NE1 TYR 285.A O no hydrogen 2.911 N/A ASN 217.A ND2 SER 220.A OG no hydrogen 3.354 N/A GLU 219.A N ASP 269.A OD2.A no hydrogen 2.907 N/A GLU 219.A N ASP 269.A OD2.B no hydrogen 2.885 N/A SER 220.A OG ASN 217.A O no hydrogen 3.455 N/A PHE 221.A N ASN 217.A O no hydrogen 2.841 N/A ILE 223.A N VAL 218.A O no hydrogen 2.726 N/A TYR 225.A N PHE 221.A O no hydrogen 2.805 N/A TYR 225.A OH HIS 131.A O no hydrogen 2.399 N/A VAL 226.A N ALA 222.A O no hydrogen 2.937 N/A TYR 227.A N ILE 223.A O no hydrogen 2.954 N/A TYR 227.A OH THR 248.A OG1 no hydrogen 2.718 N/A ASN 228.A N PRO 224.A O no hydrogen 3.043 N/A ASN 228.A ND2 PRO 126.A O no hydrogen 2.984 N/A ASN 228.A ND2 PRO 224.A O no hydrogen 2.932 N/A ASN 228.A ND2 GLU 258.A OE2 no hydrogen 2.822 N/A ARG 229.A N TYR 225.A O no hydrogen 2.857 N/A ARG 229.A NE GLU 194.A OE1 no hydrogen 2.732 N/A ARG 229.A NH1 ALA 129.A O no hydrogen 2.863 N/A ARG 229.A NH2 GLU 194.A OE1 no hydrogen 3.553 N/A ARG 229.A NH2 GLU 194.A OE2 no hydrogen 2.814 N/A ILE 230.A N VAL 226.A O no hydrogen 3.040 N/A LYS 231.A N TYR 227.A O no hydrogen 2.930 N/A ASN 232.A N ASN 228.A O no hydrogen 2.925 N/A ILE 233.A N ARG 229.A O no hydrogen 3.130 N/A PHE 234.A N ILE 230.A O no hydrogen 2.804 N/A GLY 235.A N LYS 231.A O no hydrogen 2.855 N/A ALA 239.A N GLY 235.A O no hydrogen 3.256 N/A LYS 240.A N GLU 236.A O no hydrogen 3.029 N/A ARG 241.A N THR 238.A O no hydrogen 3.085 N/A ARG 241.A NE GLN 206.A OE1 no hydrogen 2.639 N/A ARG 241.A NH2 ASN 203.A OD1 no hydrogen 2.620 N/A LEU 242.A N ALA 239.A O no hydrogen 3.225 N/A SER 243.A N LYS 240.A O no hydrogen 3.032 N/A SER 243.A OG LYS 247.A O no hydrogen 3.048 N/A SER 243.A OG PHE 263.A O no hydrogen 2.536 N/A HIS 245.A N SER 243.A OG no hydrogen 3.217 N/A ARG 246.A N.A SER 243.A O no hydrogen 2.901 N/A ARG 246.A N.B SER 243.A O no hydrogen 2.900 N/A ARG 246.A NH1.A SER 243.A O no hydrogen 2.663 N/A ARG 246.A NH1.B SER 237.A O no hydrogen 2.606 N/A ARG 246.A NH2.B SER 237.A O no hydrogen 3.272 N/A LYS 247.A N SER 243.A OG no hydrogen 3.158 N/A THR 248.A OG1 TYR 227.A OH no hydrogen 2.718 N/A ARG 249.A N THR 261.A O no hydrogen 2.929 N/A LYS 251.A N ILE 259.A O no hydrogen 3.153 N/A ILE 253.A N ARG 257.A O no hydrogen 2.843 N/A ARG 257.A N ILE 253.A O no hydrogen 2.972 N/A ILE 259.A N LYS 251.A O no hydrogen 2.991 N/A THR 261.A N ARG 249.A O no hydrogen 2.796 N/A PHE 263.A N LYS 247.A O no hydrogen 3.058 N/A GLY 264.A N GLU 9.A OE2 no hydrogen 2.949 N/A ILE 265.A N LEU 262.A O no hydrogen 3.155 N/A SER 266.A N VAL 211.A O no hydrogen 2.920 N/A SER 266.A OG GLN 353.A OE1 no hydrogen 2.681 N/A LEU 268.A N LEU 213.A O no hydrogen 2.860 N/A TYR 270.A N GLY 215.A O no hydrogen 2.978 N/A TYR 270.A OH ASP 332.A OD1 no hydrogen 2.579 N/A ILE 271.A N ASP 269.A OD1.A no hydrogen 3.304 N/A ILE 271.A N ASP 269.A OD1.B no hydrogen 3.313 N/A ASP 272.A N ASP 269.A O.A no hydrogen 2.996 N/A ASP 272.A N ASP 269.A O.B no hydrogen 2.992 N/A LEU 273.A N ASP 269.A O.A no hydrogen 3.058 N/A LEU 273.A N ASP 269.A O.B no hydrogen 3.060 N/A TYR 274.A N TYR 270.A O no hydrogen 2.770 N/A TYR 274.A OH GLU 294.A OE2 no hydrogen 2.494 N/A LYS 275.A N ILE 271.A O no hydrogen 2.987 N/A LYS 276.A N ASP 272.A O no hydrogen 3.105 N/A LYS 276.A NZ PHE 356.A O no hydrogen 2.945 N/A PHE 277.A N LEU 273.A O no hydrogen 2.906 N/A SER 278.A N TYR 274.A O no hydrogen 2.965 N/A SER 278.A OG TYR 274.A O no hydrogen 2.652 N/A SER 278.A OG THR 280.A OG1 no hydrogen 2.905 N/A THR 280.A OG1 SER 278.A OG no hydrogen 2.905 N/A GLN 282.A N TYR 285.A OH no hydrogen 3.030 N/A GLN 282.A NE2 TYR 274.A OH no hydrogen 2.962 N/A SER 286.A N SER 284.A OG no hydrogen 3.360 N/A TYR 289.A N SER 286.A OG no hydrogen 3.078 N/A ILE 290.A N SER 286.A O no hydrogen 3.089 N/A SER 291.A N LEU 287.A O no hydrogen 2.893 N/A SER 291.A OG LEU 287.A O no hydrogen 2.789 N/A GLU 292.A N ASP 288.A O no hydrogen 3.175 N/A PHE 293.A N TYR 289.A O no hydrogen 3.050 N/A GLU 294.A N ILE 290.A O no hydrogen 2.781 N/A LEU 295.A N SER 291.A O no hydrogen 2.823 N/A ASN 296.A N.A GLU 292.A O no hydrogen 2.985 N/A ASN 296.A N.B GLU 292.A O no hydrogen 2.974 N/A LYS 301.A N TYR 320.A OH no hydrogen 3.239 N/A LYS 308.A N PRO 305.A O no hydrogen 3.260 N/A LEU 309.A N ILE 306.A O no hydrogen 3.148 N/A ARG 310.A NH1 GLY 157.A O no hydrogen 2.767 N/A ARG 310.A NH2 LEU 151.A O no hydrogen 2.789 N/A ARG 310.A NH2 GLY 157.A O no hydrogen 3.109 N/A GLU 311.A OE1 SER 307.A O no hydrogen 2.943 N/A SER 312.A N LYS 308.A O no hydrogen 3.170 N/A SER 312.A OG LYS 308.A O no hydrogen 2.831 N/A SER 312.A OG LEU 309.A O no hydrogen 3.470 N/A ASN 313.A N LEU 309.A O no hydrogen 2.682 N/A HIS 314.A NE2 ASP 150.A OD1 no hydrogen 2.768 N/A GLN 315.A NE2 SER 163.A O no hydrogen 2.916 N/A GLN 315.A NE2 ASP 176.A OD2 no hydrogen 2.943 N/A ARG 316.A N ASN 313.A OD1 no hydrogen 3.196 N/A ARG 316.A NE ASP 176.A OD1 no hydrogen 3.133 N/A ARG 316.A NH2 ASP 176.A OD1 no hydrogen 3.281 N/A TYR 317.A N ASN 313.A O no hydrogen 2.916 N/A TYR 317.A OH ASP 134.A OD1 no hydrogen 2.661 N/A ILE 318.A N HIS 314.A O no hydrogen 3.024 N/A SER 319.A N GLN 315.A O no hydrogen 3.225 N/A SER 319.A OG ASP 176.A OD2 no hydrogen 2.650 N/A SER 319.A OG GLN 315.A O no hydrogen 3.185 N/A TYR 320.A N ARG 316.A O no hydrogen 2.861 N/A TYR 320.A OH LYS 301.A O no hydrogen 2.619 N/A ASN 321.A N TYR 317.A O no hydrogen 3.270 N/A ASN 321.A ND2 ASP 114.A O no hydrogen 3.351 N/A ASN 321.A ND2 GLU 116.A OE2 no hydrogen 3.347 N/A ILE 322.A N ILE 318.A O no hydrogen 3.024 N/A ILE 323.A N SER 319.A O no hydrogen 2.910 N/A ALA 324.A N TYR 320.A O no hydrogen 2.846 N/A VAL 325.A N ASN 321.A O no hydrogen 3.381 N/A TYR 326.A N ILE 322.A O no hydrogen 3.145 N/A TYR 326.A OH GLU 181.A OE2 no hydrogen 2.803 N/A ARG 327.A N.A ILE 323.A O no hydrogen 2.819 N/A ARG 327.A N.C ILE 323.A O no hydrogen 2.816 N/A ARG 327.A NH1.A ASP 288.A OD1 no hydrogen 3.503 N/A ARG 327.A NH1.C GLN 330.A OE1 no hydrogen 2.924 N/A ARG 327.A NH2.A GLY 298.A O no hydrogen 2.970 N/A LEU 329.A N VAL 325.A O no hydrogen 3.405 N/A GLN 330.A N TYR 326.A O no hydrogen 2.863 N/A ILE 331.A N ARG 327.A O.A no hydrogen 2.897 N/A ILE 331.A N ARG 327.A O.C no hydrogen 2.854 N/A ASP 332.A N VAL 328.A O no hydrogen 2.911 N/A ALA 333.A N LEU 329.A O no hydrogen 2.904 N/A LYS 334.A N GLN 330.A O no hydrogen 3.256 N/A LYS 334.A N ILE 331.A O no hydrogen 3.145 N/A LYS 334.A NZ GLU 294.A O no hydrogen 2.855 N/A LYS 334.A NZ GLU 294.A OE1 no hydrogen 2.966 N/A ARG 335.A N ILE 331.A O no hydrogen 2.772 N/A ARG 335.A NE GLU 294.A OE1 no hydrogen 2.845 N/A ARG 335.A NE GLU 294.A OE2 no hydrogen 3.334 N/A ARG 335.A NH1 SER 278.A O no hydrogen 3.257 N/A ARG 335.A NH2 GLU 294.A OE1 no hydrogen 3.507 N/A ARG 335.A NH2 GLU 294.A OE2 no hydrogen 2.679 N/A GLN 336.A N ASP 332.A O no hydrogen 2.610 N/A GLN 336.A NE2 ALA 333.A O no hydrogen 3.454 N/A ILE 338.A N.A ASP 332.A OD1 no hydrogen 3.134 N/A ILE 338.A N.B ASP 332.A OD1 no hydrogen 3.129 N/A LEU 340.A N GLN 336.A O no hydrogen 3.240 N/A SER 341.A N PHE 337.A O no hydrogen 2.931 N/A SER 341.A OG PHE 337.A O no hydrogen 2.936 N/A LEU 342.A N ILE 338.A O.A no hydrogen 3.027 N/A LEU 342.A N ILE 338.A O.B no hydrogen 2.989 N/A ASP 343.A N ASN 339.A O no hydrogen 2.938 N/A MET 344.A N.A LEU 340.A O no hydrogen 2.895 N/A MET 344.A N.B LEU 340.A O no hydrogen 2.914 N/A GLY 345.A N SER 341.A O no hydrogen 2.796 N/A TYR 346.A N LEU 342.A O no hydrogen 3.013 N/A TYR 346.A OH TYR 5.A O no hydrogen 2.703 N/A TYR 347.A N ASP 343.A O no hydrogen 3.082 N/A ALA 348.A N MET 344.A O.A no hydrogen 2.986 N/A ALA 348.A N MET 344.A O.B no hydrogen 3.078 N/A LYS 349.A NZ TYR 97.A O no hydrogen 2.839 N/A LYS 349.A NZ TYR 99.A O no hydrogen 2.988 N/A ILE 350.A N GLY 345.A O no hydrogen 3.161 N/A GLN 351.A NE2 VAL 8.A O no hydrogen 2.610 N/A GLN 351.A NE2 GLU 9.A OE1 no hydrogen 3.458 N/A GLN 353.A N GLN 353.A OE1 no hydrogen 2.747 N/A SER 354.A N GLN 351.A O no hydrogen 2.892 N/A VAL 355.A N ILE 352.A O no hydrogen 3.196 N/A PHE 356.A N GLN 353.A O no hydrogen 3.515 N/A SER 357.A N SER 354.A O no hydrogen 2.934 N/A LYS 360.A N SER 357.A OG no hydrogen 3.174 N/A LYS 360.A NZ ASP 87.A OD2 no hydrogen 2.676 N/A THR 361.A N SER 357.A O no hydrogen 2.950 N/A THR 361.A OG1 SER 354.A O no hydrogen 3.239 N/A THR 361.A OG1 SER 357.A O no hydrogen 2.711 N/A TRP 362.A N PRO 358.A O no hydrogen 2.885 N/A TRP 362.A NE1 LEU 559.A O no hydrogen 2.730 N/A ASP 363.A N ILE 359.A O no hydrogen 2.888 N/A ALA 364.A N LYS 360.A O no hydrogen 3.134 N/A ILE 365.A N THR 361.A O no hydrogen 3.071 N/A ILE 366.A N TRP 362.A O no hydrogen 2.890 N/A PHE 367.A N ASP 363.A O no hydrogen 2.994 N/A ASN 368.A N ALA 364.A O no hydrogen 3.016 N/A ASN 368.A ND2 ALA 364.A O no hydrogen 2.720 N/A SER 369.A N ILE 365.A O no hydrogen 3.055 N/A SER 369.A OG GLU 471.A OE1 no hydrogen 2.583 N/A LEU 370.A N ILE 366.A O no hydrogen 2.910 N/A LYS 371.A N PHE 367.A O no hydrogen 2.824 N/A GLU 372.A N ASN 368.A O no hydrogen 3.255 N/A GLN 373.A N LEU 370.A O no hydrogen 3.002 N/A GLN 373.A NE2 SER 369.A O no hydrogen 3.519 N/A ASN 374.A N LYS 371.A O no hydrogen 3.084 N/A LYS 375.A N LEU 370.A O no hydrogen 3.035 N/A LYS 375.A NZ GLN 373.A OE1 no hydrogen 3.290 N/A VAL 376.A N PHE 50.A O no hydrogen 2.759 N/A GLN 379.A N GLU 81.A OE2 no hydrogen 2.864 N/A TYR 388.A OH TYR 564.A OH no hydrogen 2.989 N/A LYS 394.A N GLY 617.A O no hydrogen 2.863 N/A ASN 399.A N TRP 699.A O no hydrogen 3.267 N/A ARG 400.A NE ALA 884.A O no hydrogen 3.059 N/A ARG 400.A NH2 ALA 884.A O no hydrogen 3.289 N/A ARG 400.A NH2 LYS 885.A O no hydrogen 3.197 N/A TYR 401.A N GLY 697.A O no hydrogen 2.766 N/A TYR 401.A OH ILE 397.A O no hydrogen 2.600 N/A TYR 403.A N ASP 627.A OD1 no hydrogen 3.006 N/A TYR 403.A OH GLU 635.A OE2 no hydrogen 2.595 N/A VAL 404.A N ALA 686.A O no hydrogen 3.076 N/A MET 405.A N VAL 624.A O no hydrogen 2.937 N/A SER 406.A N ALA 684.A O no hydrogen 2.987 N/A PHE 407.A N ILE 622.A O no hydrogen 2.963 N/A ASP 408.A N ASP 681.A O no hydrogen 3.127 N/A LEU 409.A N ASP 620.A OD1 no hydrogen 3.294 N/A THR 410.A N PHE 679.A O no hydrogen 3.146 N/A SER 415.A N SER 411.A O.A no hydrogen 2.862 N/A SER 415.A N SER 411.A O.B no hydrogen 2.871 N/A SER 415.A OG THR 410.A O no hydrogen 2.781 N/A SER 415.A OG SER 411.A O.A no hydrogen 2.727 N/A SER 415.A OG SER 411.A O.B no hydrogen 2.713 N/A ILE 416.A N PHE 412.A O no hydrogen 2.988 N/A ILE 417.A N TYR 413.A O no hydrogen 3.025 N/A ARG 418.A N PRO 414.A O no hydrogen 3.087 N/A GLN 419.A N SER 415.A O no hydrogen 2.823 N/A GLN 419.A NE2 ASN 673.A OD1 no hydrogen 3.010 N/A VAL 420.A N ILE 416.A O no hydrogen 2.922 N/A ASN 421.A ND2 TYR 461.A O no hydrogen 2.844 N/A ASN 421.A ND2 ARG 464.A O no hydrogen 2.696 N/A ILE 422.A N ILE 417.A O no hydrogen 2.964 N/A SER 423.A OG GLU 425.A OE1 no hydrogen 2.585 N/A GLU 425.A N GLU 425.A OE1 no hydrogen 2.586 N/A THR 426.A N SER 423.A O no hydrogen 3.448 N/A THR 426.A OG1 ASN 421.A O no hydrogen 2.749 N/A THR 426.A OG1 SER 423.A O no hydrogen 3.319 N/A ALA 428.A N MET 459.A O no hydrogen 2.836 N/A PHE 431.A N GLY 457.A O no hydrogen 2.952 N/A ALA 434.A N TYR 439.A OH no hydrogen 3.141 N/A ASP 438.A N PRO 435.A O no hydrogen 2.895 N/A TYR 439.A N LEU 436.A O no hydrogen 3.156 N/A ILE 440.A N LEU 436.A O no hydrogen 3.029 N/A ASN 441.A N HIS 437.A O no hydrogen 2.898 N/A ALA 442.A N TYR 439.A O no hydrogen 3.174 N/A VAL 443.A N ASP 438.A O no hydrogen 2.690 N/A ALA 444.A N ASP 438.A O no hydrogen 3.031 N/A ARG 446.A NE GLU 669.A O no hydrogen 2.986 N/A ARG 446.A NH2 GLU 669.A O no hydrogen 2.947 N/A VAL 450.A N SER 448.A OG no hydrogen 2.984 N/A TYR 451.A N SER 448.A OG no hydrogen 2.897 N/A SER 452.A N TYR 460.A O no hydrogen 2.768 N/A SER 452.A OG VAL 420.A O no hydrogen 2.818 N/A CYS 453.A N MET 671.A O no hydrogen 2.975 N/A CYS 453.A SG TYR 451.A O no hydrogen 3.463 N/A SER 454.A N MET 458.A O no hydrogen 3.065 N/A SER 454.A OG ASN 456.A OD1 no hydrogen 3.300 N/A SER 454.A OG ALA 582.A O no hydrogen 2.613 N/A ASN 456.A ND2 ARG 578.A O no hydrogen 3.205 N/A GLY 457.A N SER 454.A O no hydrogen 2.922 N/A MET 458.A N ASN 456.A OD1 no hydrogen 3.150 N/A MET 459.A N GLY 429.A O no hydrogen 2.918 N/A TYR 460.A N SER 452.A O no hydrogen 2.655 N/A TYR 460.A OH ASN 579.A OD1 no hydrogen 2.682 N/A TYR 461.A N THR 426.A O no hydrogen 2.939 N/A LYS 462.A NZ ASN 672.A OD1 no hydrogen 2.848 N/A VAL 467.A N GLU 425.A OE2 no hydrogen 2.871 N/A VAL 468.A N SER 423.A OG no hydrogen 3.254 N/A THR 470.A N GLY 466.A O no hydrogen 2.886 N/A THR 470.A OG1 GLY 466.A O no hydrogen 2.718 N/A GLU 471.A N VAL 467.A O no hydrogen 3.024 N/A ILE 472.A N VAL 468.A O no hydrogen 3.003 N/A THR 473.A N PRO 469.A O no hydrogen 3.085 N/A THR 473.A OG1 PRO 469.A O no hydrogen 2.561 N/A LYS 474.A NZ GLU 471.A OE1 no hydrogen 3.034 N/A VAL 475.A N GLU 471.A O no hydrogen 3.442 N/A PHE 476.A N ILE 472.A O no hydrogen 2.926 N/A ASN 477.A N THR 473.A O no hydrogen 2.958 N/A GLN 478.A N LYS 474.A O no hydrogen 3.311 N/A ARG 479.A N VAL 475.A O no hydrogen 3.000 N/A ARG 479.A NE GLN 553.A OE1 no hydrogen 2.922 N/A ARG 479.A NH2 GLN 553.A OE1 no hydrogen 3.049 N/A LYS 480.A N PHE 476.A O no hydrogen 2.968 N/A GLU 481.A N ASN 477.A O no hydrogen 3.295 N/A HIS 482.A N GLN 478.A O no hydrogen 3.256 N/A LYS 483.A N ARG 479.A O no hydrogen 2.976 N/A LYS 483.A NZ GLU 713.A OE1 no hydrogen 3.120 N/A GLY 484.A N LYS 480.A O no hydrogen 3.259 N/A TYR 485.A N GLU 481.A O no hydrogen 3.369 N/A TYR 485.A OH GLU 481.A OE1 no hydrogen 3.277 N/A MET 486.A N HIS 482.A O no hydrogen 3.041 N/A LEU 487.A N LYS 483.A O no hydrogen 2.917 N/A ALA 488.A N GLY 484.A O no hydrogen 3.121 N/A ALA 489.A N TYR 485.A O no hydrogen 2.984 N/A GLN 490.A N MET 486.A O no hydrogen 2.892 N/A GLN 490.A NE2 GLU 546.A OE2 no hydrogen 2.963 N/A ARG 491.A N LEU 487.A O no hydrogen 2.766 N/A ARG 491.A NE ASP 518.A OD1 no hydrogen 2.717 N/A ARG 491.A NH2 ASP 518.A OD1 no hydrogen 3.175 N/A ARG 491.A NH2 ASP 518.A OD2 no hydrogen 2.927 N/A ASN 492.A N ALA 488.A O no hydrogen 2.822 N/A ASN 492.A ND2 TYR 515.A O no hydrogen 2.886 N/A ASN 492.A ND2 PHE 517.A O no hydrogen 2.852 N/A GLY 493.A N ALA 489.A O no hydrogen 2.949 N/A GLU 494.A N GLN 490.A O no hydrogen 3.274 N/A ILE 495.A N ARG 491.A O no hydrogen 3.264 N/A ILE 496.A N ASN 492.A O no hydrogen 3.164 N/A LYS 497.A N GLY 493.A O no hydrogen 2.970 N/A LYS 497.A NZ GLU 494.A OE2 no hydrogen 3.154 N/A GLU 498.A N GLU 494.A O no hydrogen 2.957 N/A ALA 499.A N ILE 495.A O no hydrogen 3.140 N/A LEU 500.A N ILE 496.A O no hydrogen 3.043 N/A HIS 501.A N GLU 498.A O no hydrogen 3.064 N/A ASN 502.A N.A ALA 499.A O no hydrogen 3.202 N/A ASN 502.A N.B ALA 499.A O no hydrogen 3.205 N/A ASN 504.A N LEU 530.A O no hydrogen 3.178 N/A SER 506.A N ASN 504.A O no hydrogen 2.788 N/A SER 506.A OG ASP 508.A OD2 no hydrogen 3.511 N/A ARG 516.A N ASP 514.A OD2 no hydrogen 3.056 N/A ARG 516.A NE ASP 514.A OD1 no hydrogen 3.417 N/A ARG 516.A NE ASP 514.A OD2 no hydrogen 3.044 N/A ARG 516.A NH2 ASP 514.A OD1 no hydrogen 2.894 N/A PHE 517.A N ASP 514.A O no hydrogen 3.260 N/A PHE 519.A N ASN 492.A OD1 no hydrogen 2.994 N/A LYS 524.A N SER 520.A O no hydrogen 2.941 N/A GLU 525.A N ASP 521.A O no hydrogen 2.962 N/A LYS 526.A N GLU 522.A O no hydrogen 3.108 N/A ILE 527.A N ILE 523.A O no hydrogen 2.835 N/A LYS 528.A N LYS 524.A O no hydrogen 3.256 N/A LYS 529.A N LYS 526.A O no hydrogen 3.015 N/A LEU 530.A N ILE 527.A O no hydrogen 3.179 N/A SER 531.A N ASP 508.A OD2 no hydrogen 3.297 N/A SER 531.A OG ASP 508.A OD1 no hydrogen 2.929 N/A SER 534.A N SER 531.A OG no hydrogen 3.261 N/A SER 534.A OG ASP 508.A OD1 no hydrogen 2.527 N/A LEU 535.A N SER 531.A O no hydrogen 3.022 N/A ASN 536.A N ALA 532.A O no hydrogen 2.990 N/A GLU 537.A N LYS 533.A O no hydrogen 3.242 N/A MET 538.A N SER 534.A O no hydrogen 2.914 N/A LEU 539.A N LEU 535.A O no hydrogen 2.764 N/A PHE 540.A N ASN 536.A O no hydrogen 3.010 N/A ARG 541.A N GLU 537.A O no hydrogen 3.046 N/A ARG 541.A NE GLU 537.A OE1 no hydrogen 2.876 N/A ARG 541.A NH2 GLU 537.A OE1 no hydrogen 3.433 N/A ALA 542.A N MET 538.A O no hydrogen 2.813 N/A GLN 543.A N LEU 539.A O no hydrogen 3.035 N/A ARG 544.A N PHE 540.A O no hydrogen 3.015 N/A THR 545.A N ARG 541.A O no hydrogen 2.992 N/A THR 545.A OG1 ARG 541.A O no hydrogen 2.823 N/A GLU 546.A N ALA 542.A O no hydrogen 2.905 N/A VAL 547.A N GLN 543.A O no hydrogen 2.990 N/A ALA 548.A N ARG 544.A O no hydrogen 3.077 N/A GLY 549.A N THR 545.A O no hydrogen 2.996 N/A MET 550.A N GLU 546.A O no hydrogen 2.738 N/A THR 551.A N VAL 547.A O no hydrogen 2.909 N/A THR 551.A OG1 ARG 335.A O no hydrogen 2.772 N/A THR 551.A OG1 VAL 547.A O no hydrogen 3.301 N/A ALA 552.A N ALA 548.A O no hydrogen 3.252 N/A GLN 553.A N GLY 549.A O no hydrogen 2.947 N/A ILE 554.A N MET 550.A O no hydrogen 2.893 N/A ASN 555.A N THR 551.A O no hydrogen 3.396 N/A ASN 555.A ND2 PHE 277.A O no hydrogen 3.276 N/A ASN 555.A ND2 THR 551.A O no hydrogen 3.039 N/A ARG 556.A NE GLN 478.A OE1 no hydrogen 3.149 N/A ARG 556.A NH1 ALA 552.A O no hydrogen 2.929 N/A ARG 556.A NH2 ASP 343.A OD2 no hydrogen 3.290 N/A LYS 557.A N GLN 553.A O no hydrogen 3.015 N/A LEU 558.A N ILE 554.A O no hydrogen 2.909 N/A LEU 559.A N ASN 555.A O no hydrogen 3.106 N/A ILE 560.A N ARG 556.A O no hydrogen 3.124 N/A ASN 561.A N LYS 557.A O no hydrogen 2.946 N/A SER 562.A N LEU 558.A O no hydrogen 2.893 N/A SER 562.A OG LEU 558.A O no hydrogen 2.721 N/A LEU 563.A N LEU 559.A O no hydrogen 3.105 N/A LEU 563.A N ILE 560.A O no hydrogen 3.154 N/A TYR 564.A N ILE 560.A O no hydrogen 3.365 N/A GLY 565.A N ASN 561.A O no hydrogen 3.010 N/A ALA 566.A N SER 562.A O no hydrogen 2.689 N/A LEU 567.A N LEU 563.A O no hydrogen 3.343 N/A LEU 567.A N TYR 564.A O no hydrogen 3.158 N/A GLY 568.A N GLY 565.A O no hydrogen 2.777 N/A ASN 569.A N ALA 566.A O no hydrogen 2.919 N/A TRP 571.A N ASN 569.A OD1 no hydrogen 2.838 N/A PHE 572.A N ASN 569.A O no hydrogen 3.009 N/A ARG 573.A NE ASP 363.A OD1 no hydrogen 2.702 N/A ARG 573.A NH1 PRO 378.A O no hydrogen 2.930 N/A ARG 573.A NH2 ASP 86.A OD2 no hydrogen 3.103 N/A ARG 573.A NH2 ASP 363.A OD2 no hydrogen 2.990 N/A TYR 575.A N PHE 572.A O no hydrogen 3.030 N/A ASP 576.A N LEU 567.A O no hydrogen 3.039 N/A ARG 578.A N ASP 576.A OD2 no hydrogen 2.964 N/A ARG 578.A NE ASP 576.A OD1 no hydrogen 3.379 N/A ARG 578.A NE ASP 576.A OD2 no hydrogen 3.113 N/A ARG 578.A NH2 ASP 576.A OD1 no hydrogen 2.905 N/A ASN 579.A N ASP 576.A O no hydrogen 3.065 N/A ALA 580.A N ASP 576.A O no hydrogen 3.067 N/A THR 581.A N LEU 577.A O no hydrogen 2.901 N/A THR 581.A OG1 LEU 577.A O no hydrogen 2.813 N/A ALA 582.A N ARG 578.A O no hydrogen 3.008 N/A ILE 583.A N ASN 579.A O no hydrogen 3.136 N/A THR 584.A N ALA 580.A O no hydrogen 3.257 N/A THR 584.A OG1 PRO 389.A O no hydrogen 2.807 N/A THR 584.A OG1 THR 581.A O no hydrogen 3.411 N/A THR 585.A N THR 581.A O no hydrogen 2.880 N/A THR 585.A OG1 THR 581.A O no hydrogen 2.718 N/A PHE 586.A N ALA 582.A O no hydrogen 3.244 N/A GLY 587.A N ILE 583.A O no hydrogen 3.014 N/A GLN 588.A N THR 584.A O no hydrogen 2.932 N/A GLN 588.A NE2 GLY 390.A O no hydrogen 2.739 N/A MET 589.A N THR 585.A O no hydrogen 3.024 N/A ALA 590.A N PHE 586.A O no hydrogen 2.855 N/A LEU 591.A N GLY 587.A O no hydrogen 3.109 N/A GLN 592.A N GLN 588.A O no hydrogen 3.273 N/A GLN 592.A NE2 GLN 588.A O no hydrogen 3.317 N/A TRP 593.A N MET 589.A O no hydrogen 2.686 N/A TRP 593.A NE1 GLY 663.A O no hydrogen 2.929 N/A ILE 594.A N ALA 590.A O no hydrogen 2.992 N/A GLU 595.A N LEU 591.A O no hydrogen 2.979 N/A ARG 596.A N GLN 592.A O no hydrogen 3.410 N/A ARG 596.A NE ILE 440.A O no hydrogen 2.990 N/A ARG 596.A NH1 GLU 600.A OE2 no hydrogen 3.096 N/A ARG 596.A NH2 ILE 440.A O no hydrogen 2.992 N/A LYS 597.A N TRP 593.A O no hydrogen 3.117 N/A LYS 597.A NZ GLU 666.A OE1 no hydrogen 2.953 N/A LYS 597.A NZ GLU 666.A OE2 no hydrogen 3.421 N/A VAL 598.A N ILE 594.A O no hydrogen 2.885 N/A ASN 599.A N GLU 595.A O no hydrogen 3.003 N/A GLU 600.A N ARG 596.A O no hydrogen 2.821 N/A TYR 601.A N LYS 597.A O no hydrogen 2.875 N/A LEU 602.A N VAL 598.A O no hydrogen 2.987 N/A ASN 603.A N ASN 599.A O no hydrogen 3.169 N/A ASN 603.A ND2 ASN 599.A O no hydrogen 2.810 N/A ASN 603.A ND2 GLU 611.A O.A no hydrogen 2.938 N/A ASN 603.A ND2 GLU 611.A O.B no hydrogen 2.942 N/A GLU 604.A N GLU 600.A O no hydrogen 3.173 N/A VAL 605.A N TYR 601.A O no hydrogen 2.946 N/A CYS 606.A N LEU 602.A O no hydrogen 2.938 N/A GLY 607.A N ASN 603.A O no hydrogen 2.774 N/A THR 608.A OG1 ASN 603.A OD1 no hydrogen 2.934 N/A THR 608.A OG1 GLU 611.A OE1.B no hydrogen 3.174 N/A GLU 611.A N.A ASN 603.A OD1 no hydrogen 3.194 N/A GLU 611.A N.B ASN 603.A OD1 no hydrogen 3.183 N/A PHE 613.A N ASN 599.A OD1 no hydrogen 2.892 N/A VAL 614.A N ASN 599.A OD1 no hydrogen 3.108 N/A LEU 615.A N TYR 623.A O no hydrogen 2.838 N/A ASP 618.A N SER 621.A O no hydrogen 3.136 N/A THR 619.A N PHE 392.A O no hydrogen 2.951 N/A THR 619.A OG1 ASP 618.A OD1 no hydrogen 2.756 N/A ASP 620.A N ASP 618.A O no hydrogen 2.626 N/A SER 621.A N ASP 618.A O no hydrogen 3.047 N/A SER 621.A OG ASP 618.A O no hydrogen 2.944 N/A ILE 622.A N PHE 407.A O no hydrogen 2.853 N/A TYR 623.A N TYR 616.A O no hydrogen 2.873 N/A VAL 624.A N MET 405.A O no hydrogen 2.752 N/A SER 625.A N PHE 613.A O no hydrogen 2.705 N/A ALA 626.A N TYR 403.A O no hydrogen 2.878 N/A LYS 628.A NZ GLU 611.A OE1.B no hydrogen 2.995 N/A ILE 630.A N ALA 626.A O no hydrogen 3.046 N/A ASP 631.A N ASP 627.A O no hydrogen 2.913 N/A LYS 632.A N LYS 628.A O no hydrogen 3.033 N/A LYS 632.A NZ CYS 606.A O no hydrogen 2.618 N/A VAL 633.A N ILE 630.A O no hydrogen 3.113 N/A GLY 634.A N ILE 630.A O no hydrogen 2.806 N/A LYS 637.A N GLY 634.A O no hydrogen 3.265 N/A PHE 638.A N GLU 635.A O no hydrogen 3.229 N/A ARG 639.A N HIS 643.A ND1 no hydrogen 3.030 N/A HIS 643.A N ASP 640.A O no hydrogen 3.090 N/A HIS 643.A N ASP 640.A OD1 no hydrogen 3.022 N/A VAL 645.A N THR 641.A O no hydrogen 3.157 N/A ASP 646.A N ASN 642.A O no hydrogen 3.021 N/A PHE 647.A N HIS 643.A O no hydrogen 2.977 N/A LEU 648.A N TRP 644.A O no hydrogen 2.886 N/A ASP 649.A N VAL 645.A O no hydrogen 2.920 N/A LYS 650.A N ASP 646.A O no hydrogen 2.913 N/A PHE 651.A N PHE 647.A O no hydrogen 2.854 N/A ALA 652.A N LEU 648.A O no hydrogen 2.859 N/A ARG 653.A N ASP 649.A O no hydrogen 3.189 N/A ARG 653.A NH2 ASP 649.A OD2 no hydrogen 2.994 N/A GLU 654.A N LYS 650.A O no hydrogen 2.659 N/A ARG 655.A N PHE 651.A O no hydrogen 2.943 N/A MET 656.A N PHE 651.A O no hydrogen 3.160 N/A GLU 657.A N ALA 652.A O no hydrogen 2.832 N/A ALA 659.A N ARG 655.A O no hydrogen 3.453 N/A ILE 660.A N MET 656.A O no hydrogen 2.821 N/A ASP 661.A N GLU 657.A O no hydrogen 2.779 N/A ARG 662.A N PRO 658.A O no hydrogen 2.979 N/A GLY 663.A N ALA 659.A O no hydrogen 2.960 N/A PHE 664.A N ILE 660.A O no hydrogen 3.008 N/A ARG 665.A N ASP 661.A O no hydrogen 2.981 N/A GLU 666.A N ARG 662.A O no hydrogen 3.106 N/A MET 667.A N GLY 663.A O no hydrogen 3.189 N/A CYS 668.A N PHE 664.A O no hydrogen 2.782 N/A GLU 669.A N ARG 665.A O no hydrogen 3.094 N/A TYR 670.A N GLU 666.A O no hydrogen 2.848 N/A TYR 670.A OH ALA 444.A O no hydrogen 2.423 N/A MET 671.A N MET 667.A O no hydrogen 2.978 N/A ASN 672.A N GLU 669.A O no hydrogen 3.081 N/A ASN 672.A ND2 SER 448.A O no hydrogen 3.568 N/A ASN 672.A ND2 TYR 451.A O no hydrogen 3.218 N/A ASN 673.A N CYS 668.A O no hydrogen 2.919 N/A ASN 673.A ND2 SER 452.A OG no hydrogen 2.863 N/A ASN 673.A ND2 CYS 453.A O no hydrogen 3.135 N/A LYS 674.A N GLN 419.A O no hydrogen 2.945 N/A LYS 674.A NZ ARG 464.A O no hydrogen 3.133 N/A LYS 674.A NZ ASP 465.A OD1 no hydrogen 3.318 N/A GLN 675.A N GLN 419.A O no hydrogen 3.411 N/A LEU 677.A N GLN 419.A OE1 no hydrogen 2.867 N/A ASP 681.A N ASP 408.A O no hydrogen 3.085 N/A ARG 682.A N GLU 657.A OE2 no hydrogen 3.115 N/A ARG 682.A NH1 GLU 683.A O no hydrogen 2.816 N/A ARG 682.A NH1 ASP 711.A OD1 no hydrogen 2.734 N/A ARG 682.A NH2 ASP 649.A OD1 no hydrogen 2.896 N/A ARG 682.A NH2 ASP 711.A OD1 no hydrogen 2.827 N/A GLU 683.A N SER 406.A O no hydrogen 2.604 N/A ALA 684.A N SER 406.A OG no hydrogen 2.595 N/A ILE 685.A N ASP 711.A O no hydrogen 2.911 N/A ALA 686.A N VAL 404.A O no hydrogen 2.764 N/A GLY 687.A N ASN 708.A O no hydrogen 3.016 N/A LEU 690.A N THR 641.A OG1 no hydrogen 2.885 N/A SER 692.A N PRO 689.A O no hydrogen 3.133 N/A SER 692.A OG PRO 689.A O no hydrogen 2.622 N/A SER 692.A OG GLN 751.A O no hydrogen 3.402 N/A GLY 694.A N SER 692.A OG no hydrogen 3.263 N/A ILE 695.A N MET 749.A O no hydrogen 3.024 N/A GLY 696.A N LEU 750.A O no hydrogen 3.092 N/A GLY 697.A N ILE 695.A O no hydrogen 2.924 N/A PHE 698.A N ALA 706.A O no hydrogen 3.015 N/A TRP 699.A N ASN 399.A O no hydrogen 3.021 N/A THR 700.A N ARG 704.A O.A no hydrogen 3.025 N/A THR 700.A N ARG 704.A O.B no hydrogen 3.043 N/A LYS 702.A NZ VAL 393.A O no hydrogen 3.202 N/A LYS 703.A N TYR 616.A OH no hydrogen 2.967 N/A LYS 703.A NZ ASP 618.A OD2 no hydrogen 2.857 N/A ARG 704.A N.A GLY 701.A O no hydrogen 3.362 N/A ARG 704.A N.B GLY 701.A O no hydrogen 3.359 N/A ARG 704.A NE.B THR 700.A OG1 no hydrogen 3.022 N/A ARG 704.A NH1.A THR 700.A OG1 no hydrogen 2.776 N/A ARG 704.A NH1.B GLU 728.A OE2 no hydrogen 3.480 N/A ARG 704.A NH2.B GLU 728.A OE1 no hydrogen 3.166 N/A TYR 705.A N MET 725.A O no hydrogen 3.065 N/A TYR 705.A OH TYR 623.A OH no hydrogen 2.695 N/A ALA 706.A N PHE 698.A O no hydrogen 2.998 N/A LEU 707.A N LYS 723.A O no hydrogen 2.814 N/A ASN 708.A N GLY 696.A O no hydrogen 2.875 N/A ASN 708.A ND2 GLY 687.A O no hydrogen 2.978 N/A VAL 709.A N LYS 721.A O no hydrogen 2.969 N/A TRP 710.A N ILE 685.A O no hydrogen 2.867 N/A TRP 710.A NE1 GLY 687.A O no hydrogen 2.679 N/A MET 712.A N THR 715.A O no hydrogen 3.029 N/A GLU 713.A N GLU 683.A O no hydrogen 2.909 N/A GLY 714.A N ASP 711.A OD1 no hydrogen 3.252 N/A THR 715.A N MET 712.A O no hydrogen 3.090 N/A THR 715.A OG1 GLN 490.A OE1 no hydrogen 2.926 N/A ARG 716.A NE ASP 711.A OD2 no hydrogen 2.696 N/A ARG 716.A NH1 ASN 642.A OD1 no hydrogen 2.990 N/A ARG 716.A NH1 ASP 646.A OD2 no hydrogen 2.909 N/A ARG 716.A NH2 ASP 646.A OD2 no hydrogen 2.923 N/A ARG 716.A NH2 ASP 711.A OD2 no hydrogen 3.557 N/A TYR 717.A N TRP 710.A O no hydrogen 3.125 N/A ALA 718.A N GLU 494.A OE1 no hydrogen 2.788 N/A LYS 721.A N VAL 709.A O no hydrogen 3.025 N/A LYS 723.A N LEU 707.A O no hydrogen 2.695 N/A LYS 723.A NZ TYR 623.A OH no hydrogen 3.434 N/A MET 725.A N TYR 705.A O no hydrogen 2.899 N/A GLU 728.A N GLU 728.A OE1 no hydrogen 2.626 N/A THR 729.A OG1 GLN 730.A OE1 no hydrogen 2.759 N/A GLN 730.A N LEU 727.A O no hydrogen 2.805 N/A LYS 731.A N GLU 728.A O no hydrogen 3.199 N/A THR 734.A N LYS 731.A O no hydrogen 3.209 N/A THR 734.A OG1 GLU 728.A O no hydrogen 2.864 N/A ALA 737.A N SER 775.A O no hydrogen 2.790 N/A GLN 739.A N PRO 735.A O no hydrogen 2.907 N/A GLN 739.A NE2 LYS 731.A O no hydrogen 2.693 N/A LYS 740.A N LYS 736.A O no hydrogen 3.098 N/A ALA 741.A N ALA 737.A O no hydrogen 2.983 N/A LEU 742.A N VAL 738.A O no hydrogen 2.801 N/A LYS 743.A N GLN 739.A O no hydrogen 2.865 N/A GLU 744.A N LYS 740.A O no hydrogen 3.102 N/A CYS 745.A N ALA 741.A O no hydrogen 2.924 N/A CYS 745.A SG ALA 741.A O no hydrogen 3.362 N/A ILE 746.A N LEU 742.A O no hydrogen 2.856 N/A ARG 747.A N LYS 743.A O no hydrogen 2.741 N/A ARG 747.A NE GLU 744.A OE1 no hydrogen 3.258 N/A ARG 747.A NE GLU 744.A OE2 no hydrogen 2.905 N/A ARG 747.A NH1 GLN 751.A OE1 no hydrogen 3.040 N/A ARG 747.A NH1 GLU 752.A OE2 no hydrogen 3.067 N/A ARG 747.A NH2 GLU 744.A OE1 no hydrogen 2.823 N/A ARG 747.A NH2 GLU 752.A OE2 no hydrogen 3.175 N/A ARG 748.A N GLU 744.A O no hydrogen 3.028 N/A ARG 748.A NE GLU 744.A OE1 no hydrogen 3.130 N/A ARG 748.A NH1 SER 756.A O no hydrogen 2.966 N/A ARG 748.A NH1 SER 756.A OG no hydrogen 2.826 N/A MET 749.A N CYS 745.A O no hydrogen 3.117 N/A LEU 750.A N ILE 746.A O no hydrogen 3.030 N/A GLN 751.A N ARG 747.A O no hydrogen 2.891 N/A GLN 751.A NE2 ASN 708.A OD1 no hydrogen 2.849 N/A GLU 752.A N ARG 748.A O no hydrogen 2.789 N/A GLY 753.A N ARG 748.A O no hydrogen 2.631 N/A SER 756.A OG GLU 752.A OE1 no hydrogen 2.507 N/A LEU 757.A N GLY 753.A O no hydrogen 3.274 N/A GLN 758.A N GLU 754.A O no hydrogen 3.014 N/A GLN 758.A NE2 ASP 887.A O no hydrogen 2.996 N/A GLU 759.A N GLU 755.A O no hydrogen 3.155 N/A TYR 760.A N SER 756.A O no hydrogen 3.242 N/A PHE 761.A N LEU 757.A O no hydrogen 2.971 N/A LYS 762.A N GLN 758.A O no hydrogen 3.244 N/A GLU 763.A N GLU 759.A O no hydrogen 3.195 N/A PHE 764.A N TYR 760.A O no hydrogen 2.894 N/A GLU 765.A N PHE 761.A O no hydrogen 2.910 N/A LYS 766.A N LYS 762.A O no hydrogen 3.245 N/A GLU 767.A N GLU 763.A O no hydrogen 3.226 N/A PHE 768.A N PHE 764.A O no hydrogen 3.052 N/A ARG 769.A NH1.B GLU 765.A O no hydrogen 2.887 N/A GLN 770.A N GLU 767.A O no hydrogen 3.134 N/A LEU 771.A N PHE 768.A O no hydrogen 3.114 N/A TYR 773.A OH GLU 850.A OE1 no hydrogen 2.301 N/A ILE 774.A N ASN 772.A OD1 no hydrogen 3.048 N/A SER 775.A OG ASN 772.A O no hydrogen 2.711 N/A ILE 776.A N TYR 773.A O no hydrogen 3.387 N/A ALA 777.A N ILE 774.A O no hydrogen 3.224 N/A SER 778.A N VAL 829.A O no hydrogen 2.978 N/A VAL 779.A N SER 733.A O no hydrogen 2.981 N/A SER 780.A N VAL 827.A O no hydrogen 2.978 N/A SER 780.A OG SER 781.A O no hydrogen 3.283 N/A ALA 782.A N GLU 825.A O no hydrogen 2.747 N/A ASN 784.A N GLU 823.A OE2 no hydrogen 2.752 N/A ILE 785.A N GLU 823.A OE1 no hydrogen 3.086 N/A TYR 788.A N ILE 785.A O no hydrogen 3.171 N/A ASP 789.A N ALA 786.A O no hydrogen 3.098 N/A VAL 790.A N PHE 793.A O no hydrogen 2.824 N/A GLY 792.A N ASP 789.A OD2 no hydrogen 2.784 N/A PHE 793.A N VAL 790.A O no hydrogen 3.214 N/A GLY 795.A N TYR 788.A O no hydrogen 2.878 N/A CYS 798.A N GLY 795.A O no hydrogen 3.249 N/A CYS 798.A SG PRO 799.A O no hydrogen 3.524 N/A ARG 803.A N PRO 799.A O no hydrogen 2.910 N/A ARG 803.A NH1 ASP 840.A OD1 no hydrogen 3.059 N/A ARG 803.A NH1 ASP 840.A OD2 no hydrogen 3.349 N/A GLY 804.A N PHE 800.A O no hydrogen 3.111 N/A ILE 805.A N HIS 801.A O no hydrogen 3.196 N/A LEU 806.A N ILE 802.A O no hydrogen 3.055 N/A THR 807.A N ARG 803.A O no hydrogen 3.038 N/A THR 807.A OG1 ARG 803.A O no hydrogen 2.878 N/A THR 807.A OG1 CYS 842.A O no hydrogen 3.041 N/A TYR 808.A N GLY 804.A O no hydrogen 3.145 N/A TYR 808.A OH PRO 819.A O no hydrogen 2.604 N/A ASN 809.A N ILE 805.A O no hydrogen 2.914 N/A ARG 810.A N LEU 806.A O no hydrogen 3.134 N/A ARG 810.A NH1 GLY 792.A O no hydrogen 3.109 N/A ARG 810.A NH2 PHE 838.A O no hydrogen 3.307 N/A ALA 811.A N THR 807.A O no hydrogen 3.170 N/A ILE 812.A N TYR 808.A O no hydrogen 3.030 N/A LYS 813.A N ARG 810.A O no hydrogen 3.480 N/A ASN 815.A N ILE 812.A O no hydrogen 2.996 N/A ASN 815.A ND2 ILE 812.A O no hydrogen 3.442 N/A ALA 818.A N ASN 815.A O no hydrogen 3.319 N/A GLN 820.A NE2 ALA 818.A O no hydrogen 3.189 N/A GLY 824.A N ALA 782.A O no hydrogen 2.768 N/A GLU 825.A N VAL 822.A O no hydrogen 3.107 N/A LYS 826.A NZ ASN 281.A OD1 no hydrogen 2.772 N/A LYS 826.A NZ GLN 282.A O no hydrogen 2.696 N/A VAL 827.A N SER 780.A O no hydrogen 2.809 N/A TYR 828.A N TRP 845.A O no hydrogen 2.862 N/A VAL 829.A N SER 778.A O no hydrogen 2.727 N/A LEU 830.A N ILE 843.A O no hydrogen 2.964 N/A LEU 832.A N LYS 841.A O no hydrogen 2.863 N/A ARG 833.A N TRP 862.A O no hydrogen 2.779 N/A ARG 833.A NH2 HIS 861.A O no hydrogen 2.631 N/A ASN 836.A N ARG 833.A O no hydrogen 3.288 N/A ASN 836.A ND2 ARG 833.A O no hydrogen 2.787 N/A ASN 836.A ND2 ASP 840.A O no hydrogen 2.785 N/A PHE 838.A N ASN 836.A OD1 no hydrogen 2.908 N/A GLY 839.A N ASN 836.A O no hydrogen 3.360 N/A LYS 841.A N ASP 840.A OD1 no hydrogen 2.931 N/A CYS 842.A SG PHE 800.A O no hydrogen 3.316 N/A ILE 843.A N LEU 830.A O no hydrogen 2.903 N/A ALA 844.A N GLY 804.A O no hydrogen 2.805 N/A TRP 845.A N TYR 828.A O no hydrogen 3.140 N/A TRP 845.A NE1 THR 849.A O no hydrogen 2.969 N/A SER 847.A N LYS 826.A O no hydrogen 2.901 N/A SER 847.A OG PRO 283.A O no hydrogen 2.734 N/A SER 847.A OG LYS 826.A O no hydrogen 3.093 N/A THR 849.A OG1 PRO 846.A O no hydrogen 2.521 N/A THR 849.A OG1 GLU 850.A O no hydrogen 3.452 N/A ILE 851.A N TYR 773.A OH no hydrogen 3.161 N/A LEU 854.A N THR 852.A OG1 no hydrogen 3.251 N/A ILE 855.A N THR 852.A O no hydrogen 3.193 N/A LYS 856.A NZ GLU 850.A OE1 no hydrogen 3.047 N/A VAL 859.A N ILE 855.A O no hydrogen 2.931 N/A LEU 860.A N LYS 856.A O no hydrogen 2.940 N/A HIS 861.A N ASP 857.A O no hydrogen 3.169 N/A TRP 862.A N ASP 858.A O no hydrogen 3.158 N/A TRP 862.A N VAL 859.A O no hydrogen 3.151 N/A ASP 864.A N PRO 831.A O no hydrogen 2.884 N/A VAL 867.A N ASP 864.A OD1 no hydrogen 3.103 N/A LEU 868.A N ASP 864.A O no hydrogen 2.978 N/A LEU 869.A N TYR 865.A O no hydrogen 2.849 N/A GLU 870.A N THR 866.A O no hydrogen 3.115 N/A LYS 871.A N VAL 867.A O no hydrogen 2.912 N/A THR 872.A N LEU 868.A O no hydrogen 3.155 N/A THR 872.A OG1 LEU 868.A O no hydrogen 2.615 N/A PHE 873.A N LEU 869.A O no hydrogen 2.943 N/A ILE 874.A N LEU 869.A O no hydrogen 2.880 N/A LYS 875.A N GLU 870.A O no hydrogen 2.989 N/A LEU 877.A N PHE 873.A O no hydrogen 3.102 N/A GLU 878.A N ILE 874.A O no hydrogen 2.798 N/A GLY 879.A N LYS 875.A O no hydrogen 3.230 N/A PHE 880.A N PRO 876.A O no hydrogen 2.966 N/A THR 881.A N LEU 877.A O no hydrogen 2.969 N/A THR 881.A OG1 LEU 877.A O no hydrogen 2.989 N/A THR 881.A OG1 GLU 878.A O no hydrogen 3.241 N/A SER 882.A N.A GLU 878.A O no hydrogen 2.952 N/A SER 882.A N.B GLU 878.A O no hydrogen 2.952 N/A SER 882.A OG.B GLU 878.A O no hydrogen 2.898 N/A SER 882.A OG.B GLU 878.A OE2 no hydrogen 2.312 N/A ALA 883.A N GLY 879.A O no hydrogen 3.331 N/A ALA 884.A N PHE 880.A O no hydrogen 3.036 N/A LYS 885.A N SER 882.A O.A no hydrogen 3.140 N/A LYS 885.A N SER 882.A O.B no hydrogen 3.109 N/A LYS 885.A NZ ASN 399.A OD1 no hydrogen 3.504 N/A LEU 886.A N THR 881.A O no hydrogen 2.766 N/A ASP 887.A N GLU 754.A OE1 no hydrogen 2.962 N/A SER 893.A N ASP 896.A OD1 no hydrogen 2.881 N/A PHE 895.A N SER 893.A OG no hydrogen 3.156 N/A ASP 896.A N SER 893.A O no hydrogen 3.266 N/A PHE 898.A N PHE 895.A O no hydrogen 3.190 N/A