Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4khs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 22.A O no hydrogen 3.131 N/A PHE 4.A N ILE 20.A O no hydrogen 3.269 N/A TYR 5.A OH ILE 345.A O no hydrogen 2.663 N/A LEU 6.A N ARG 18.A O no hydrogen 2.714 N/A THR 7.A N ARG 18.A O no hydrogen 3.219 N/A THR 7.A OG1 GLY 259.A O no hydrogen 3.274 N/A GLU 9.A N PHE 16.A O no hydrogen 2.903 N/A GLN 10.A NE2 GLY 12.A O no hydrogen 3.395 N/A ILE 11.A N SER 14.A O no hydrogen 2.898 N/A SER 14.A N ILE 11.A O no hydrogen 3.149 N/A SER 14.A OG GLU 30.A OE2 no hydrogen 2.570 N/A ILE 15.A N VAL 31.A O no hydrogen 2.734 N/A PHE 16.A N GLU 9.A O no hydrogen 2.901 N/A GLU 17.A N ARG 29.A O no hydrogen 2.966 N/A ARG 18.A N THR 7.A O no hydrogen 3.005 N/A ARG 18.A NE GLU 26.A OE2 no hydrogen 3.427 N/A ARG 18.A NH1 PRO 210.A O no hydrogen 2.875 N/A ARG 18.A NH1 GLY 259.A O no hydrogen 2.728 N/A ARG 18.A NH2 GLU 26.A OE2 no hydrogen 2.878 N/A ARG 18.A NH2 THR 209.A O no hydrogen 2.916 N/A ARG 18.A NH2 PRO 210.A O no hydrogen 3.556 N/A TYR 19.A N ARG 27.A O no hydrogen 2.862 N/A ILE 20.A N PHE 4.A O no hydrogen 2.891 N/A ASP 21.A N ARG 25.A O no hydrogen 2.940 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 2.900 N/A GLY 24.A N ASP 21.A O no hydrogen 2.920 N/A ARG 25.A N ASP 21.A OD1 no hydrogen 2.910 N/A ARG 27.A N TYR 19.A O no hydrogen 2.733 N/A ARG 27.A NE ASP 21.A OD2 no hydrogen 2.643 N/A ARG 29.A N GLU 17.A O no hydrogen 2.933 N/A ARG 29.A NE GLU 17.A OE1 no hydrogen 2.904 N/A ARG 29.A NH2 GLU 17.A OE1 no hydrogen 3.045 N/A VAL 31.A N ILE 15.A O no hydrogen 2.740 N/A TYR 33.A N VAL 31.A O no hydrogen 2.806 N/A TYR 33.A OH ASP 95.A OD2 no hydrogen 2.705 N/A LEU 37.A N LYS 60.A O no hydrogen 3.200 N/A PHE 38.A N LEU 83.A O no hydrogen 2.771 N/A ALA 39.A N THR 58.A O.A no hydrogen 3.237 N/A ALA 39.A N THR 58.A O.B no hydrogen 3.242 N/A HIS 40.A NE2 ASP 51.A OD2 no hydrogen 2.949 N/A CYS 41.A N PRO 56.A O no hydrogen 3.172 N/A CYS 41.A SG PRO 42.A O no hydrogen 3.666 N/A GLN 45.A N PRO 42.A O no hydrogen 3.124 N/A THR 47.A OG1 TYR 49.A O no hydrogen 3.506 N/A THR 47.A OG1 CYS 57.A O no hydrogen 2.802 N/A TYR 49.A N THR 47.A OG1 no hydrogen 2.881 N/A ASP 51.A N LYS 55.A O no hydrogen 2.832 N/A TYR 53.A N ASP 51.A OD1 no hydrogen 2.863 N/A GLY 54.A N ASP 51.A O no hydrogen 2.962 N/A LYS 55.A N ASP 51.A OD1 no hydrogen 2.876 N/A CYS 57.A N TYR 49.A O no hydrogen 2.942 N/A CYS 57.A SG LYS 55.A O no hydrogen 3.856 N/A THR 58.A N.A ALA 39.A O no hydrogen 2.891 N/A THR 58.A N.B ALA 39.A O no hydrogen 2.885 N/A ARG 59.A NH1 SER 36.A OG no hydrogen 2.855 N/A LYS 60.A N LEU 37.A O no hydrogen 2.849 N/A PHE 62.A N PRO 35.A O no hydrogen 3.178 N/A ARG 66.A N ASP 13.A OD1 no hydrogen 3.239 N/A ASP 67.A N ASN 64.A OD1 no hydrogen 2.894 N/A ALA 68.A N ASN 64.A O no hydrogen 3.314 N/A SER 69.A N.A MET 65.A O no hydrogen 3.067 N/A SER 69.A N.B MET 65.A O no hydrogen 3.058 N/A SER 69.A OG.A MET 65.A O no hydrogen 3.134 N/A SER 69.A OG.A ARG 66.A O no hydrogen 2.853 N/A SER 69.A OG.B MET 65.A O no hydrogen 3.157 N/A GLN 70.A N ARG 66.A O no hydrogen 2.883 N/A TRP 71.A N ASP 67.A O no hydrogen 3.056 N/A ILE 72.A N ALA 68.A O no hydrogen 3.080 N/A LYS 73.A N SER 69.A O.A no hydrogen 3.256 N/A LYS 73.A N SER 69.A O.B no hydrogen 3.190 N/A ARG 74.A N GLN 70.A O no hydrogen 3.078 N/A MET 75.A N TRP 71.A O no hydrogen 2.885 N/A GLU 76.A N ILE 72.A O no hydrogen 3.066 N/A ASP 77.A N LYS 73.A O no hydrogen 3.037 N/A ILE 78.A N ARG 74.A O no hydrogen 2.989 N/A GLY 79.A N MET 75.A O no hydrogen 2.870 N/A LEU 80.A N MET 75.A O no hydrogen 3.001 N/A ALA 82.A N GLN 374.A OE1 no hydrogen 2.957 N/A LEU 83.A N PHE 38.A O no hydrogen 2.810 N/A GLY 84.A N ILE 372.A O no hydrogen 3.055 N/A ASP 86.A N ASP 86.A OD2 no hydrogen 2.584 N/A LYS 89.A NZ ASP 87.A OD1 no hydrogen 2.929 N/A ALA 91.A N ASP 87.A O no hydrogen 3.277 N/A TYR 92.A N PHE 88.A O no hydrogen 2.750 N/A TYR 92.A OH GLU 17.A OE1 no hydrogen 2.627 N/A LEU 93.A N LYS 89.A O no hydrogen 2.928 N/A SER 94.A N LEU 90.A O no hydrogen 3.025 N/A SER 94.A OG ASN 363.A OD1 no hydrogen 2.722 N/A ASP 95.A N ALA 91.A O no hydrogen 2.970 N/A THR 96.A N TYR 92.A O no hydrogen 2.878 N/A THR 96.A OG1 TYR 92.A O no hydrogen 2.698 N/A TYR 97.A N LEU 93.A O no hydrogen 2.803 N/A TYR 97.A OH GLU 17.A OE2 no hydrogen 2.434 N/A TYR 99.A OH GLU 3.A O no hydrogen 2.705 N/A TYR 103.A OH ASP 338.A OD2 no hydrogen 2.263 N/A THR 106.A N ASP 104.A OD1 no hydrogen 3.158 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 2.728 N/A THR 106.A OG1 ASP 104.A OD2 no hydrogen 3.467 N/A LYS 107.A N ASP 104.A O no hydrogen 3.001 N/A ILE 108.A N HIS 105.A O no hydrogen 2.966 N/A ARG 109.A NH1 ASP 140.A OD1 no hydrogen 2.920 N/A VAL 110.A N SER 141.A OG no hydrogen 2.828 N/A ALA 111.A N ILE 212.A O no hydrogen 2.842 N/A ASN 112.A N TYR 139.A O no hydrogen 2.943 N/A PHE 113.A N THR 214.A O no hydrogen 3.257 N/A ASP 114.A N THR 137.A O no hydrogen 3.066 N/A GLU 116.A N ALA 135.A O no hydrogen 2.802 N/A THR 118.A N ASP 134.A OD2 no hydrogen 3.164 N/A THR 118.A OG1 ASP 134.A OD2 no hydrogen 2.850 N/A THR 118.A OG1 TYR 312.A OH no hydrogen 3.359 N/A SER 119.A OG ASP 121.A OD1 no hydrogen 3.126 N/A SER 119.A OG GLY 122.A O no hydrogen 2.532 N/A SER 127.A OG GLN 128.A OE1 no hydrogen 3.276 N/A GLN 128.A N GLU 125.A O no hydrogen 3.023 N/A ALA 129.A N GLU 125.A O no hydrogen 2.809 N/A HIS 131.A N TYR 225.A OH no hydrogen 3.007 N/A HIS 131.A NE2 ASP 121.A OD1 no hydrogen 2.611 N/A ILE 133.A N GLU 194.A OE2 no hydrogen 2.854 N/A ASP 134.A N GLU 116.A O no hydrogen 3.074 N/A ILE 136.A N PHE 149.A O no hydrogen 2.910 N/A THR 137.A N ASP 114.A O no hydrogen 3.052 N/A HIS 138.A N TYR 147.A O no hydrogen 2.858 N/A HIS 138.A ND1 TYR 201.A OH no hydrogen 2.922 N/A TYR 139.A N ASN 112.A O no hydrogen 2.665 N/A TYR 139.A OH ASP 144.A OD1 no hydrogen 2.466 N/A ASP 140.A N ARG 145.A O no hydrogen 3.127 N/A SER 141.A N VAL 110.A O no hydrogen 2.988 N/A SER 141.A OG ILE 108.A O no hydrogen 3.367 N/A SER 141.A OG VAL 110.A O no hydrogen 3.223 N/A ASP 143.A N ASP 140.A OD2 no hydrogen 2.867 N/A ASP 144.A N ASP 140.A O no hydrogen 2.691 N/A ARG 145.A NH1 ASP 144.A O no hydrogen 3.007 N/A PHE 146.A N LYS 185.A O no hydrogen 2.719 N/A TYR 147.A N HIS 138.A O no hydrogen 2.845 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.577 N/A VAL 148.A N ILE 187.A O no hydrogen 2.844 N/A PHE 149.A N ILE 136.A O no hydrogen 2.653 N/A ASP 150.A N MET 189.A O no hydrogen 2.946 N/A LEU 151.A N ASP 134.A O no hydrogen 3.107 N/A LEU 152.A N PHE 191.A O no hydrogen 2.866 N/A ASN 153.A ND2 ASP 192.A O no hydrogen 3.156 N/A SER 154.A N GLY 157.A O no hydrogen 3.345 N/A TYR 156.A N SER 154.A OG no hydrogen 3.059 N/A GLY 157.A N SER 154.A O no hydrogen 3.022 N/A VAL 159.A N LEU 152.A O no hydrogen 2.896 N/A TRP 162.A N TYR 188.A OH no hydrogen 2.939 N/A TRP 162.A NE1 SER 314.A OG no hydrogen 2.847 N/A SER 163.A N GLN 310.A OE1 no hydrogen 2.815 N/A SER 163.A OG GLU 165.A OE1 no hydrogen 3.047 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.838 N/A ILE 166.A N SER 163.A OG no hydrogen 3.121 N/A ALA 167.A N SER 163.A O no hydrogen 3.005 N/A ALA 168.A N ILE 164.A O no hydrogen 3.234 N/A LYS 169.A N ILE 166.A O no hydrogen 3.144 N/A LEU 170.A N GLN 173.A OE1 no hydrogen 3.101 N/A GLN 171.A N GLU 177.A OE2 no hydrogen 2.747 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.562 N/A GLN 173.A N LEU 170.A O no hydrogen 2.847 N/A GLY 174.A N GLN 171.A O no hydrogen 2.824 N/A GLY 175.A N LEU 170.A O no hydrogen 2.812 N/A ASP 176.A N ILE 166.A O no hydrogen 3.353 N/A GLU 177.A N LYS 169.A O no hydrogen 2.897 N/A VAL 178.A N ALA 167.A O no hydrogen 2.946 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.705 N/A ILE 182.A N PRO 179.A O no hydrogen 3.149 N/A ILE 183.A N SER 180.A O no hydrogen 3.422 N/A LYS 185.A N ILE 182.A O no hydrogen 2.872 N/A LYS 185.A NZ ASP 144.A OD1 no hydrogen 3.422 N/A LYS 185.A NZ ASP 144.A OD2 no hydrogen 2.744 N/A ILE 186.A N ILE 183.A O no hydrogen 3.409 N/A ILE 187.A N PHE 146.A O no hydrogen 2.760 N/A TYR 188.A OH ASP 150.A OD2 no hydrogen 2.552 N/A MET 189.A N VAL 148.A O no hydrogen 2.839 N/A PHE 191.A N ASP 150.A O no hydrogen 2.815 N/A ASN 193.A ND2 GLU 196.A OE2 no hydrogen 3.132 N/A LEU 197.A N ASN 193.A O no hydrogen 3.184 N/A LEU 198.A N GLU 194.A O no hydrogen 2.925 N/A MET 199.A N LYS 195.A O no hydrogen 2.877 N/A GLU 200.A N GLU 196.A O no hydrogen 3.025 N/A TYR 201.A N LEU 197.A O no hydrogen 2.849 N/A TYR 201.A OH HIS 138.A ND1 no hydrogen 2.922 N/A LEU 202.A N LEU 198.A O no hydrogen 2.919 N/A ASN 203.A N MET 199.A O no hydrogen 3.014 N/A PHE 204.A N GLU 200.A O no hydrogen 2.805 N/A TRP 205.A N TYR 201.A O no hydrogen 2.759 N/A TRP 205.A NE1 LEU 242.A O no hydrogen 2.994 N/A GLN 206.A N.A LEU 202.A O no hydrogen 2.914 N/A GLN 206.A N.B LEU 202.A O no hydrogen 2.934 N/A GLN 207.A N ASN 203.A O no hydrogen 3.212 N/A LYS 208.A N PHE 204.A O no hydrogen 2.871 N/A LYS 208.A NZ ASP 143.A OD2 no hydrogen 2.713 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.852 N/A THR 209.A OG1 GLN 206.A O.A no hydrogen 3.121 N/A THR 209.A OG1 GLN 206.A O.B no hydrogen 3.276 N/A VAL 211.A N ARG 109.A O no hydrogen 2.882 N/A ILE 212.A N ARG 109.A O no hydrogen 3.141 N/A LEU 213.A N SER 261.A O no hydrogen 2.953 N/A THR 214.A N ALA 111.A O no hydrogen 2.835 N/A THR 214.A OG1 LEU 263.A O no hydrogen 2.696 N/A GLY 215.A N THR 214.A OG1 no hydrogen 2.612 N/A TRP 216.A NE1 TYR 280.A O no hydrogen 2.861 N/A ASN 217.A ND2 SER 220.A OG no hydrogen 3.272 N/A GLU 219.A N ASP 264.A OD2 no hydrogen 2.903 N/A SER 220.A OG ASN 217.A O no hydrogen 3.534 N/A PHE 221.A N ASN 217.A O no hydrogen 2.887 N/A ILE 223.A N VAL 218.A O no hydrogen 2.763 N/A TYR 225.A N PHE 221.A O no hydrogen 2.810 N/A TYR 225.A OH HIS 131.A O no hydrogen 2.541 N/A VAL 226.A N ALA 222.A O no hydrogen 2.927 N/A TYR 227.A N ILE 223.A O no hydrogen 2.930 N/A ASN 228.A N PRO 224.A O no hydrogen 2.945 N/A ASN 228.A ND2 PRO 126.A O no hydrogen 3.035 N/A ASN 228.A ND2 PRO 224.A O no hydrogen 3.050 N/A ARG 229.A N TYR 225.A O no hydrogen 2.862 N/A ARG 229.A NE GLU 194.A OE2 no hydrogen 2.851 N/A ARG 229.A NH1 ALA 129.A O no hydrogen 2.844 N/A ARG 229.A NH2 GLU 194.A OE1 no hydrogen 2.877 N/A ILE 230.A N VAL 226.A O no hydrogen 3.028 N/A LYS 231.A N TYR 227.A O no hydrogen 2.949 N/A ASN 232.A N ASN 228.A O no hydrogen 2.915 N/A ILE 233.A N ARG 229.A O no hydrogen 3.060 N/A PHE 234.A N ILE 230.A O no hydrogen 2.802 N/A GLY 235.A N LYS 231.A O no hydrogen 2.908 N/A THR 238.A N GLY 235.A O no hydrogen 3.189 N/A ALA 239.A N GLY 235.A O no hydrogen 3.211 N/A LYS 240.A N GLU 236.A O no hydrogen 2.963 N/A LYS 240.A NZ GLU 236.A OE2 no hydrogen 2.971 N/A LYS 240.A NZ THR 248.A OG1 no hydrogen 3.261 N/A ARG 241.A N THR 238.A O no hydrogen 3.028 N/A ARG 241.A NE GLN 206.A OE1.B no hydrogen 2.503 N/A ARG 241.A NH2 ASN 203.A OD1 no hydrogen 2.712 N/A LEU 242.A N ALA 239.A O no hydrogen 3.227 N/A SER 243.A N LYS 240.A O no hydrogen 3.040 N/A SER 243.A OG LYS 247.A O no hydrogen 3.006 N/A SER 243.A OG PHE 258.A O no hydrogen 2.694 N/A HIS 245.A N SER 243.A OG no hydrogen 3.256 N/A ARG 246.A N SER 243.A O no hydrogen 2.943 N/A ARG 246.A NH1 SER 243.A O no hydrogen 2.644 N/A LYS 247.A N SER 243.A OG no hydrogen 3.162 N/A THR 248.A OG1 TYR 227.A OH no hydrogen 2.763 N/A ARG 249.A N THR 256.A O no hydrogen 3.001 N/A ARG 249.A NH2 THR 256.A OG1 no hydrogen 3.235 N/A LYS 251.A N ARG 249.A O no hydrogen 3.529 N/A LYS 251.A N ILE 254.A O no hydrogen 2.906 N/A THR 256.A N ARG 249.A O no hydrogen 2.841 N/A PHE 258.A N LYS 247.A O no hydrogen 3.125 N/A GLY 259.A N GLU 9.A OE2 no hydrogen 2.767 N/A ILE 260.A N LEU 257.A O no hydrogen 3.138 N/A SER 261.A N VAL 211.A O no hydrogen 2.853 N/A SER 261.A OG GLN 348.A OE1 no hydrogen 2.542 N/A LEU 263.A N LEU 213.A O no hydrogen 2.872 N/A TYR 265.A N GLY 215.A O no hydrogen 2.890 N/A TYR 265.A OH ASP 327.A OD1 no hydrogen 2.580 N/A ILE 266.A N ASP 264.A OD1 no hydrogen 3.333 N/A ASP 267.A N ASP 264.A O no hydrogen 3.065 N/A LEU 268.A N ASP 264.A O no hydrogen 3.079 N/A TYR 269.A N TYR 265.A O no hydrogen 2.809 N/A TYR 269.A OH GLU 289.A OE2 no hydrogen 2.565 N/A LYS 270.A N ILE 266.A O no hydrogen 2.957 N/A LYS 271.A N ASP 267.A O no hydrogen 3.067 N/A LYS 271.A NZ PHE 351.A O no hydrogen 3.524 N/A PHE 272.A N LEU 268.A O no hydrogen 2.864 N/A SER 273.A N TYR 269.A O no hydrogen 3.014 N/A SER 273.A OG TYR 269.A O no hydrogen 2.654 N/A SER 273.A OG THR 275.A OG1 no hydrogen 2.848 N/A THR 275.A OG1 SER 273.A OG no hydrogen 2.848 N/A GLN 277.A N TYR 280.A OH no hydrogen 2.981 N/A GLN 277.A NE2 TYR 269.A OH no hydrogen 2.908 N/A SER 281.A N SER 279.A OG no hydrogen 3.297 N/A TYR 284.A N SER 281.A OG no hydrogen 3.082 N/A ILE 285.A N SER 281.A O no hydrogen 3.079 N/A SER 286.A N LEU 282.A O no hydrogen 2.871 N/A SER 286.A OG LEU 282.A O no hydrogen 2.775 N/A GLU 287.A N ASP 283.A O no hydrogen 3.201 N/A PHE 288.A N TYR 284.A O no hydrogen 3.063 N/A GLU 289.A N ILE 285.A O no hydrogen 2.775 N/A LEU 290.A N SER 286.A O no hydrogen 2.785 N/A ASN 291.A N GLU 287.A O no hydrogen 2.942 N/A LYS 303.A N PRO 300.A O no hydrogen 3.229 N/A LEU 304.A N ILE 301.A O no hydrogen 3.037 N/A ARG 305.A NH1 GLY 157.A O no hydrogen 2.768 N/A ARG 305.A NH2 LEU 151.A O no hydrogen 2.868 N/A ARG 305.A NH2 GLY 157.A O no hydrogen 3.087 N/A SER 307.A N LYS 303.A O no hydrogen 2.876 N/A SER 307.A OG LYS 303.A O no hydrogen 2.762 N/A SER 307.A OG LEU 304.A O no hydrogen 3.475 N/A ASN 308.A N LEU 304.A O no hydrogen 2.649 N/A HIS 309.A NE2 ASP 150.A OD1 no hydrogen 2.797 N/A GLN 310.A NE2 SER 163.A O no hydrogen 2.928 N/A GLN 310.A NE2 ASP 176.A OD2 no hydrogen 2.892 N/A ARG 311.A N ASN 308.A OD1 no hydrogen 3.138 N/A ARG 311.A NE ASP 176.A OD1 no hydrogen 3.166 N/A ARG 311.A NH2 GLN 171.A OE1 no hydrogen 2.668 N/A ARG 311.A NH2 ASP 176.A OD1 no hydrogen 3.122 N/A TYR 312.A N ASN 308.A O no hydrogen 2.909 N/A TYR 312.A OH ASP 134.A OD1 no hydrogen 2.595 N/A TYR 312.A OH ASP 134.A OD2 no hydrogen 3.408 N/A ILE 313.A N HIS 309.A O no hydrogen 2.994 N/A SER 314.A N GLN 310.A O no hydrogen 3.157 N/A SER 314.A OG ASP 176.A OD2 no hydrogen 2.544 N/A SER 314.A OG GLN 310.A O no hydrogen 3.267 N/A TYR 315.A N ARG 311.A O no hydrogen 2.788 N/A TYR 315.A OH LYS 296.A O no hydrogen 2.531 N/A ASN 316.A N TYR 312.A O no hydrogen 3.251 N/A ILE 317.A N ILE 313.A O no hydrogen 3.046 N/A ILE 318.A N SER 314.A O no hydrogen 2.956 N/A ALA 319.A N TYR 315.A O no hydrogen 2.921 N/A VAL 320.A N ASN 316.A O no hydrogen 3.344 N/A TYR 321.A N ILE 317.A O no hydrogen 3.106 N/A TYR 321.A OH GLU 181.A OE2 no hydrogen 2.788 N/A ARG 322.A N.A ILE 318.A O no hydrogen 2.795 N/A ARG 322.A N.B ILE 318.A O no hydrogen 2.807 N/A ARG 322.A NH2.A GLY 293.A O no hydrogen 3.214 N/A LEU 324.A N VAL 320.A O no hydrogen 3.368 N/A GLN 325.A N TYR 321.A O no hydrogen 2.859 N/A GLN 325.A NE2 TYR 321.A O no hydrogen 3.646 N/A ILE 326.A N ARG 322.A O.A no hydrogen 2.861 N/A ILE 326.A N ARG 322.A O.B no hydrogen 2.832 N/A ASP 327.A N VAL 323.A O no hydrogen 2.894 N/A ALA 328.A N LEU 324.A O no hydrogen 2.874 N/A LYS 329.A N GLN 325.A O no hydrogen 3.202 N/A LYS 329.A NZ GLU 289.A O no hydrogen 2.687 N/A LYS 329.A NZ GLU 289.A OE1 no hydrogen 3.149 N/A ARG 330.A N ILE 326.A O no hydrogen 2.773 N/A ARG 330.A NE GLU 289.A OE1 no hydrogen 2.729 N/A ARG 330.A NE GLU 289.A OE2 no hydrogen 3.341 N/A ARG 330.A NH1 SER 273.A O no hydrogen 3.234 N/A ARG 330.A NH2 GLU 289.A OE1 no hydrogen 3.495 N/A ARG 330.A NH2 GLU 289.A OE2 no hydrogen 2.664 N/A GLN 331.A N ASP 327.A O no hydrogen 2.683 N/A ILE 333.A N ASP 327.A OD1 no hydrogen 3.072 N/A LEU 335.A N GLN 331.A O no hydrogen 3.203 N/A SER 336.A N PHE 332.A O no hydrogen 2.966 N/A SER 336.A OG PHE 332.A O no hydrogen 2.895 N/A LEU 337.A N ILE 333.A O no hydrogen 3.005 N/A ASP 338.A N ASN 334.A O no hydrogen 2.989 N/A MET 339.A N LEU 335.A O no hydrogen 2.973 N/A GLY 340.A N SER 336.A O no hydrogen 2.834 N/A TYR 341.A N LEU 337.A O no hydrogen 2.992 N/A TYR 341.A OH TYR 5.A O no hydrogen 2.749 N/A TYR 342.A N ASP 338.A O no hydrogen 2.990 N/A ALA 343.A N MET 339.A O no hydrogen 2.980 N/A LYS 344.A NZ TYR 97.A O no hydrogen 2.771 N/A LYS 344.A NZ TYR 99.A O no hydrogen 2.941 N/A ILE 345.A N GLY 340.A O no hydrogen 3.125 N/A GLN 348.A N GLN 348.A OE1 no hydrogen 2.729 N/A SER 349.A N GLN 346.A O no hydrogen 2.847 N/A VAL 350.A N ILE 347.A O no hydrogen 3.186 N/A PHE 351.A N GLN 348.A O no hydrogen 3.501 N/A SER 352.A N SER 349.A O no hydrogen 2.964 N/A LYS 355.A N SER 352.A OG no hydrogen 3.044 N/A LYS 355.A NZ ASP 87.A OD2 no hydrogen 2.588 N/A THR 356.A N SER 352.A O no hydrogen 2.997 N/A THR 356.A OG1 SER 349.A O no hydrogen 3.301 N/A THR 356.A OG1 SER 352.A O no hydrogen 2.837 N/A TRP 357.A N PRO 353.A O no hydrogen 2.915 N/A TRP 357.A NE1 LEU 554.A O no hydrogen 2.754 N/A ASP 358.A N ILE 354.A O no hydrogen 2.962 N/A ALA 359.A N LYS 355.A O no hydrogen 3.110 N/A ILE 360.A N THR 356.A O no hydrogen 3.082 N/A ILE 361.A N TRP 357.A O no hydrogen 2.882 N/A PHE 362.A N ASP 358.A O no hydrogen 2.908 N/A ASN 363.A N ALA 359.A O no hydrogen 2.978 N/A ASN 363.A ND2 ALA 359.A O no hydrogen 2.736 N/A SER 364.A N ILE 360.A O no hydrogen 3.022 N/A SER 364.A OG GLU 466.A OE2 no hydrogen 2.614 N/A LEU 365.A N ILE 361.A O no hydrogen 2.855 N/A LYS 366.A N PHE 362.A O no hydrogen 2.876 N/A LYS 366.A NZ SER 94.A OG no hydrogen 3.036 N/A LYS 366.A NZ ASP 95.A OD1 no hydrogen 2.451 N/A GLU 367.A N ASN 363.A O no hydrogen 3.216 N/A GLN 368.A N LEU 365.A O no hydrogen 3.029 N/A ASN 369.A N LYS 366.A O no hydrogen 2.934 N/A LYS 370.A N LEU 365.A O no hydrogen 2.963 N/A VAL 371.A N PHE 50.A O no hydrogen 2.792 N/A GLN 374.A N GLU 81.A OE2 no hydrogen 2.865 N/A TYR 383.A OH TYR 559.A OH no hydrogen 3.219 N/A LYS 389.A N GLY 612.A O no hydrogen 2.874 N/A LYS 389.A NZ GLU 590.A OE2 no hydrogen 3.276 N/A ASN 394.A N TRP 694.A O no hydrogen 3.249 N/A ARG 395.A N ASN 394.A OD1 no hydrogen 2.961 N/A ARG 395.A NE ALA 879.A O no hydrogen 2.873 N/A ARG 395.A NH2 ALA 879.A O no hydrogen 3.186 N/A TYR 396.A N GLY 692.A O no hydrogen 2.732 N/A TYR 396.A OH ILE 392.A O no hydrogen 2.700 N/A TYR 398.A N ASP 622.A OD1 no hydrogen 3.123 N/A TYR 398.A OH GLU 630.A OE1 no hydrogen 2.520 N/A VAL 399.A N ALA 681.A O no hydrogen 3.062 N/A MET 400.A N VAL 619.A O no hydrogen 2.959 N/A SER 401.A N ALA 679.A O no hydrogen 2.914 N/A PHE 402.A N ILE 617.A O no hydrogen 2.930 N/A ASP 403.A N ASP 676.A O no hydrogen 3.003 N/A LEU 404.A N ASP 615.A O no hydrogen 3.277 N/A THR 405.A N PHE 674.A O no hydrogen 2.949 N/A THR 405.A OG1 PHE 674.A O no hydrogen 3.457 N/A SER 410.A N SER 406.A O.A no hydrogen 2.884 N/A SER 410.A N SER 406.A O.B no hydrogen 2.903 N/A SER 410.A OG THR 405.A O no hydrogen 2.902 N/A SER 410.A OG SER 406.A O.A no hydrogen 2.689 N/A SER 410.A OG SER 406.A O.B no hydrogen 2.665 N/A ILE 411.A N PHE 407.A O no hydrogen 2.938 N/A ILE 412.A N TYR 408.A O no hydrogen 2.978 N/A ARG 413.A N PRO 409.A O no hydrogen 3.043 N/A GLN 414.A N SER 410.A O no hydrogen 2.814 N/A GLN 414.A NE2 ASN 668.A OD1 no hydrogen 3.015 N/A VAL 415.A N ILE 411.A O no hydrogen 2.916 N/A ASN 416.A ND2 TYR 456.A O no hydrogen 2.770 N/A ASN 416.A ND2 ARG 459.A O no hydrogen 2.872 N/A ILE 417.A N ILE 412.A O no hydrogen 2.963 N/A SER 418.A OG GLU 420.A OE1 no hydrogen 2.609 N/A GLU 420.A N GLU 420.A OE1 no hydrogen 2.570 N/A THR 421.A N SER 418.A O no hydrogen 3.322 N/A THR 421.A OG1 ASN 416.A O no hydrogen 2.686 N/A THR 421.A OG1 SER 418.A O no hydrogen 3.276 N/A ALA 423.A N MET 454.A O no hydrogen 2.765 N/A PHE 426.A N GLY 452.A O no hydrogen 2.942 N/A ALA 429.A N TYR 434.A OH no hydrogen 3.092 N/A ASP 433.A N PRO 430.A O no hydrogen 2.922 N/A TYR 434.A N LEU 431.A O no hydrogen 3.120 N/A ILE 435.A N LEU 431.A O no hydrogen 3.053 N/A ASN 436.A N HIS 432.A O no hydrogen 2.894 N/A ALA 437.A N TYR 434.A O no hydrogen 3.163 N/A VAL 438.A N ASP 433.A O no hydrogen 2.853 N/A ALA 439.A N ASP 433.A O no hydrogen 3.173 N/A ARG 441.A NE GLU 664.A O no hydrogen 2.925 N/A ARG 441.A NH2 GLU 664.A O no hydrogen 2.890 N/A VAL 445.A N SER 443.A OG no hydrogen 2.968 N/A TYR 446.A N SER 443.A OG no hydrogen 2.862 N/A SER 447.A N TYR 455.A O no hydrogen 2.822 N/A SER 447.A OG VAL 415.A O no hydrogen 2.832 N/A CYS 448.A N MET 666.A O no hydrogen 2.985 N/A CYS 448.A SG TYR 446.A O no hydrogen 3.442 N/A SER 449.A N MET 453.A O no hydrogen 3.100 N/A SER 449.A OG ASN 451.A OD1 no hydrogen 3.237 N/A SER 449.A OG ALA 577.A O no hydrogen 2.643 N/A ASN 451.A ND2 ARG 573.A O no hydrogen 3.174 N/A ASN 451.A ND2 THR 576.A OG1.B no hydrogen 3.032 N/A GLY 452.A N SER 449.A O no hydrogen 2.981 N/A MET 453.A N ASN 451.A OD1 no hydrogen 3.129 N/A MET 454.A N GLY 424.A O no hydrogen 2.975 N/A TYR 455.A N SER 447.A O no hydrogen 2.641 N/A TYR 455.A OH ASN 574.A OD1 no hydrogen 2.738 N/A TYR 456.A N THR 421.A O no hydrogen 2.876 N/A LYS 457.A NZ ASN 667.A O no hydrogen 3.505 N/A LYS 457.A NZ ASN 667.A OD1 no hydrogen 2.907 N/A VAL 462.A N GLU 420.A OE2 no hydrogen 2.939 N/A VAL 463.A N SER 418.A OG no hydrogen 3.175 N/A THR 465.A N GLY 461.A O no hydrogen 2.830 N/A THR 465.A OG1 GLY 461.A O no hydrogen 2.836 N/A GLU 466.A N VAL 462.A O no hydrogen 3.035 N/A ILE 467.A N VAL 463.A O no hydrogen 3.000 N/A THR 468.A N PRO 464.A O no hydrogen 3.076 N/A THR 468.A OG1 PRO 464.A O no hydrogen 2.593 N/A LYS 469.A NZ GLU 466.A OE2 no hydrogen 2.986 N/A VAL 470.A N GLU 466.A O no hydrogen 3.489 N/A PHE 471.A N ILE 467.A O no hydrogen 2.893 N/A ASN 472.A N THR 468.A O no hydrogen 2.948 N/A GLN 473.A N LYS 469.A O no hydrogen 3.327 N/A ARG 474.A N VAL 470.A O no hydrogen 2.957 N/A ARG 474.A NE GLN 548.A OE1 no hydrogen 2.827 N/A ARG 474.A NH2 GLN 548.A OE1 no hydrogen 3.030 N/A LYS 475.A N PHE 471.A O no hydrogen 2.969 N/A GLU 476.A N ASN 472.A O no hydrogen 3.296 N/A HIS 477.A N GLN 473.A O no hydrogen 3.227 N/A LYS 478.A N ARG 474.A O no hydrogen 2.921 N/A LYS 478.A NZ GLU 708.A OE1 no hydrogen 3.304 N/A GLY 479.A N LYS 475.A O no hydrogen 3.175 N/A TYR 480.A N GLU 476.A O no hydrogen 3.298 N/A TYR 480.A OH GLU 476.A OE2 no hydrogen 2.787 N/A MET 481.A N HIS 477.A O no hydrogen 3.048 N/A LEU 482.A N LYS 478.A O no hydrogen 2.883 N/A ALA 483.A N GLY 479.A O no hydrogen 3.065 N/A ALA 484.A N TYR 480.A O no hydrogen 3.026 N/A GLN 485.A N MET 481.A O no hydrogen 2.975 N/A GLN 485.A NE2 GLU 541.A OE2 no hydrogen 2.977 N/A ARG 486.A N LEU 482.A O no hydrogen 2.811 N/A ARG 486.A NE ASP 513.A OD1 no hydrogen 2.773 N/A ARG 486.A NH2 ASP 513.A OD1 no hydrogen 3.131 N/A ARG 486.A NH2 ASP 513.A OD2 no hydrogen 3.089 N/A ASN 487.A N ALA 483.A O no hydrogen 2.772 N/A ASN 487.A ND2 TYR 510.A O no hydrogen 2.858 N/A ASN 487.A ND2 PHE 512.A O no hydrogen 2.926 N/A GLY 488.A N ALA 484.A O no hydrogen 2.926 N/A GLU 489.A N GLN 485.A O no hydrogen 3.272 N/A ILE 490.A N ARG 486.A O no hydrogen 3.317 N/A ILE 491.A N ASN 487.A O no hydrogen 3.264 N/A LYS 492.A N GLY 488.A O no hydrogen 2.959 N/A LYS 492.A NZ GLU 489.A OE2 no hydrogen 3.195 N/A GLU 493.A N GLU 489.A O no hydrogen 2.951 N/A ALA 494.A N ILE 490.A O no hydrogen 3.151 N/A LEU 495.A N LYS 492.A O no hydrogen 3.230 N/A HIS 496.A N GLU 493.A O no hydrogen 3.171 N/A ASN 499.A N LEU 525.A O no hydrogen 3.215 N/A SER 501.A OG ASP 503.A OD2 no hydrogen 3.363 N/A ARG 511.A N ASP 509.A OD1 no hydrogen 3.061 N/A ARG 511.A NE ASP 509.A OD1 no hydrogen 3.036 N/A ARG 511.A NE ASP 509.A OD2 no hydrogen 3.399 N/A ARG 511.A NH2 ASP 509.A OD2 no hydrogen 2.777 N/A PHE 512.A N ASP 509.A O no hydrogen 3.214 N/A PHE 514.A N ASN 487.A OD1 no hydrogen 3.044 N/A SER 515.A OG GLU 517.A OE1 no hydrogen 3.393 N/A GLU 517.A N GLU 517.A OE1 no hydrogen 2.815 N/A ILE 518.A N SER 515.A OG no hydrogen 3.328 N/A LYS 519.A N SER 515.A O no hydrogen 2.886 N/A GLU 520.A N ASP 516.A O no hydrogen 2.881 N/A LYS 521.A N GLU 517.A O no hydrogen 3.108 N/A ILE 522.A N ILE 518.A O no hydrogen 2.955 N/A LYS 523.A N LYS 519.A O no hydrogen 3.345 N/A LYS 524.A N LYS 521.A O no hydrogen 3.162 N/A LEU 525.A N ILE 522.A O no hydrogen 3.118 N/A SER 526.A N ASP 503.A OD1 no hydrogen 3.443 N/A SER 526.A N ASP 503.A OD2 no hydrogen 3.065 N/A SER 526.A OG ASP 503.A OD1 no hydrogen 2.418 N/A SER 526.A OG SER 529.A OG no hydrogen 3.419 N/A SER 529.A N SER 526.A OG no hydrogen 3.377 N/A SER 529.A OG ASP 503.A OD1 no hydrogen 2.730 N/A SER 529.A OG SER 526.A OG no hydrogen 3.419 N/A LEU 530.A N SER 526.A O no hydrogen 2.988 N/A ASN 531.A N ALA 527.A O no hydrogen 2.920 N/A GLU 532.A N LYS 528.A O no hydrogen 3.166 N/A MET 533.A N SER 529.A O no hydrogen 2.887 N/A LEU 534.A N LEU 530.A O no hydrogen 2.770 N/A PHE 535.A N ASN 531.A O no hydrogen 3.088 N/A ARG 536.A N GLU 532.A O no hydrogen 3.113 N/A ARG 536.A NE GLU 532.A OE2 no hydrogen 3.065 N/A ALA 537.A N MET 533.A O no hydrogen 2.815 N/A GLN 538.A N LEU 534.A O no hydrogen 2.963 N/A ARG 539.A N.A PHE 535.A O no hydrogen 2.944 N/A ARG 539.A N.B PHE 535.A O no hydrogen 2.949 N/A THR 540.A N ARG 536.A O no hydrogen 2.944 N/A THR 540.A OG1 ARG 536.A O no hydrogen 2.759 N/A GLU 541.A N ALA 537.A O no hydrogen 2.869 N/A VAL 542.A N GLN 538.A O no hydrogen 2.964 N/A ALA 543.A N ARG 539.A O.A no hydrogen 3.040 N/A ALA 543.A N ARG 539.A O.B no hydrogen 3.075 N/A GLY 544.A N THR 540.A O no hydrogen 3.044 N/A MET 545.A N GLU 541.A O no hydrogen 2.801 N/A THR 546.A N VAL 542.A O no hydrogen 2.902 N/A THR 546.A OG1 ARG 330.A O no hydrogen 2.764 N/A THR 546.A OG1 VAL 542.A O no hydrogen 3.262 N/A ALA 547.A N ALA 543.A O no hydrogen 3.223 N/A GLN 548.A N GLY 544.A O no hydrogen 2.860 N/A ILE 549.A N MET 545.A O no hydrogen 2.871 N/A ASN 550.A N THR 546.A O no hydrogen 3.368 N/A ASN 550.A ND2 PHE 272.A O no hydrogen 3.246 N/A ASN 550.A ND2 THR 546.A O no hydrogen 2.957 N/A ARG 551.A NE GLN 473.A OE1 no hydrogen 3.188 N/A ARG 551.A NH1 ALA 547.A O no hydrogen 2.978 N/A ARG 551.A NH2 ASP 338.A OD1 no hydrogen 3.370 N/A LYS 552.A N GLN 548.A O no hydrogen 2.984 N/A LEU 553.A N ILE 549.A O no hydrogen 2.997 N/A LEU 554.A N ASN 550.A O no hydrogen 3.052 N/A ILE 555.A N ARG 551.A O no hydrogen 3.051 N/A ASN 556.A N LYS 552.A O no hydrogen 2.977 N/A SER 557.A N LEU 553.A O no hydrogen 2.870 N/A SER 557.A OG LEU 553.A O no hydrogen 2.780 N/A LEU 558.A N LEU 554.A O no hydrogen 3.121 N/A LEU 558.A N ILE 555.A O no hydrogen 3.141 N/A TYR 559.A N ILE 555.A O no hydrogen 3.372 N/A GLY 560.A N ASN 556.A O no hydrogen 2.932 N/A ALA 561.A N SER 557.A O no hydrogen 2.754 N/A LEU 562.A N LEU 558.A O no hydrogen 3.383 N/A LEU 562.A N TYR 559.A O no hydrogen 3.139 N/A GLY 563.A N GLY 560.A O no hydrogen 2.874 N/A ASN 564.A N ALA 561.A O no hydrogen 2.881 N/A TRP 566.A N ASN 564.A OD1 no hydrogen 2.830 N/A PHE 567.A N ASN 564.A O no hydrogen 2.927 N/A ARG 568.A NE ASP 358.A OD1 no hydrogen 2.761 N/A ARG 568.A NH1 PRO 373.A O no hydrogen 2.851 N/A ARG 568.A NH2 ASP 86.A OD2 no hydrogen 3.063 N/A ARG 568.A NH2 ASP 358.A OD2 no hydrogen 3.040 N/A TYR 570.A N PHE 567.A O no hydrogen 3.108 N/A ASP 571.A N LEU 562.A O no hydrogen 2.976 N/A ARG 573.A N ASP 571.A OD1 no hydrogen 2.939 N/A ARG 573.A NE ASP 571.A OD1 no hydrogen 3.102 N/A ARG 573.A NE ASP 571.A OD2 no hydrogen 3.313 N/A ARG 573.A NH2 ASP 571.A OD2 no hydrogen 2.825 N/A ASN 574.A N ASP 571.A O no hydrogen 3.012 N/A ALA 575.A N ASP 571.A O no hydrogen 3.010 N/A THR 576.A N.A LEU 572.A O no hydrogen 2.966 N/A THR 576.A N.B LEU 572.A O no hydrogen 2.973 N/A THR 576.A OG1.A LEU 572.A O no hydrogen 2.816 N/A THR 576.A OG1.B LEU 572.A O no hydrogen 2.606 N/A THR 576.A OG1.B ARG 573.A O no hydrogen 3.316 N/A ALA 577.A N ARG 573.A O no hydrogen 3.057 N/A ILE 578.A N ASN 574.A O no hydrogen 3.219 N/A THR 579.A N ALA 575.A O no hydrogen 3.239 N/A THR 579.A OG1 PRO 384.A O no hydrogen 2.762 N/A THR 579.A OG1 THR 576.A O.A no hydrogen 3.364 N/A THR 579.A OG1 THR 576.A O.B no hydrogen 3.419 N/A THR 580.A N THR 576.A O.A no hydrogen 2.821 N/A THR 580.A N THR 576.A O.B no hydrogen 2.838 N/A THR 580.A OG1 THR 576.A O.A no hydrogen 2.665 N/A THR 580.A OG1 THR 576.A O.B no hydrogen 2.617 N/A PHE 581.A N ALA 577.A O no hydrogen 3.187 N/A GLY 582.A N ILE 578.A O no hydrogen 2.934 N/A GLN 583.A N THR 579.A O no hydrogen 2.872 N/A GLN 583.A NE2 GLY 385.A O no hydrogen 2.681 N/A MET 584.A N THR 580.A O no hydrogen 2.945 N/A ALA 585.A N PHE 581.A O no hydrogen 2.799 N/A LEU 586.A N GLY 582.A O no hydrogen 3.110 N/A GLN 587.A N GLN 583.A O no hydrogen 3.300 N/A GLN 587.A NE2 GLN 583.A O no hydrogen 3.270 N/A TRP 588.A N MET 584.A O no hydrogen 2.739 N/A TRP 588.A NE1 GLY 658.A O no hydrogen 2.929 N/A ILE 589.A N ALA 585.A O no hydrogen 3.037 N/A GLU 590.A N LEU 586.A O no hydrogen 3.021 N/A ARG 591.A N GLN 587.A O no hydrogen 3.307 N/A ARG 591.A NE ILE 435.A O no hydrogen 3.075 N/A ARG 591.A NH1 GLU 595.A OE1 no hydrogen 3.119 N/A ARG 591.A NH2 ILE 435.A O no hydrogen 3.182 N/A LYS 592.A N TRP 588.A O no hydrogen 3.100 N/A LYS 592.A NZ GLU 661.A OE1 no hydrogen 3.066 N/A LYS 592.A NZ GLU 661.A OE2 no hydrogen 3.403 N/A VAL 593.A N ILE 589.A O no hydrogen 2.867 N/A ASN 594.A N GLU 590.A O no hydrogen 2.983 N/A GLU 595.A N ARG 591.A O no hydrogen 2.878 N/A TYR 596.A N LYS 592.A O no hydrogen 2.938 N/A LEU 597.A N VAL 593.A O no hydrogen 3.045 N/A ASN 598.A N ASN 594.A O no hydrogen 3.088 N/A ASN 598.A ND2 ASN 594.A O no hydrogen 2.673 N/A ASN 598.A ND2 GLU 606.A O no hydrogen 3.077 N/A GLU 599.A N GLU 595.A O no hydrogen 3.090 N/A VAL 600.A N TYR 596.A O no hydrogen 3.036 N/A CYS 601.A N LEU 597.A O no hydrogen 2.910 N/A THR 603.A OG1 ASN 598.A OD1 no hydrogen 2.945 N/A GLU 606.A N ASN 598.A OD1 no hydrogen 3.057 N/A PHE 608.A N ASN 594.A OD1 no hydrogen 2.844 N/A VAL 609.A N ASN 594.A OD1 no hydrogen 2.998 N/A LEU 610.A N TYR 618.A O no hydrogen 2.876 N/A ASP 613.A N SER 616.A O no hydrogen 3.326 N/A ASP 613.A N SER 616.A OG no hydrogen 3.398 N/A THR 614.A N PHE 387.A O no hydrogen 2.905 N/A THR 614.A OG1 ASP 613.A OD1 no hydrogen 2.857 N/A ASP 615.A N ASP 613.A O no hydrogen 2.706 N/A SER 616.A N ASP 613.A O no hydrogen 3.292 N/A SER 616.A OG ASP 613.A O no hydrogen 3.145 N/A ILE 617.A N PHE 402.A O no hydrogen 2.951 N/A TYR 618.A N TYR 611.A O no hydrogen 2.857 N/A VAL 619.A N MET 400.A O no hydrogen 2.746 N/A SER 620.A N PHE 608.A O no hydrogen 2.775 N/A ALA 621.A N TYR 398.A O no hydrogen 2.734 N/A ILE 625.A N ALA 621.A O no hydrogen 3.131 N/A ASP 626.A N ASP 622.A O no hydrogen 2.889 N/A LYS 627.A N LYS 623.A O no hydrogen 3.026 N/A LYS 632.A N GLY 629.A O no hydrogen 3.282 N/A PHE 633.A N GLU 630.A O no hydrogen 3.340 N/A ARG 634.A N HIS 638.A ND1 no hydrogen 2.976 N/A HIS 638.A N ASP 635.A O no hydrogen 3.153 N/A HIS 638.A N ASP 635.A OD1 no hydrogen 2.964 N/A VAL 640.A N THR 636.A O no hydrogen 3.180 N/A ASP 641.A N ASN 637.A O no hydrogen 3.058 N/A PHE 642.A N HIS 638.A O no hydrogen 3.145 N/A LEU 643.A N TRP 639.A O no hydrogen 2.945 N/A ASP 644.A N VAL 640.A O no hydrogen 2.808 N/A LYS 645.A N ASP 641.A O no hydrogen 2.834 N/A PHE 646.A N PHE 642.A O no hydrogen 2.836 N/A ALA 647.A N LEU 643.A O no hydrogen 2.888 N/A ARG 648.A N ASP 644.A O no hydrogen 3.219 N/A ARG 648.A NE ASP 644.A OD1 no hydrogen 3.326 N/A GLU 649.A N LYS 645.A O no hydrogen 2.829 N/A ARG 650.A N.A PHE 646.A O no hydrogen 3.009 N/A ARG 650.A N.B PHE 646.A O no hydrogen 2.996 N/A MET 651.A N PHE 646.A O no hydrogen 3.193 N/A GLU 652.A N ALA 647.A O no hydrogen 2.861 N/A ALA 654.A N ARG 650.A O.A no hydrogen 3.452 N/A ALA 654.A N ARG 650.A O.B no hydrogen 3.344 N/A ILE 655.A N MET 651.A O no hydrogen 2.832 N/A ASP 656.A N.A GLU 652.A O no hydrogen 2.842 N/A ASP 656.A N.B GLU 652.A O no hydrogen 2.837 N/A ARG 657.A N PRO 653.A O no hydrogen 3.012 N/A GLY 658.A N ALA 654.A O no hydrogen 2.951 N/A PHE 659.A N ILE 655.A O no hydrogen 2.974 N/A ARG 660.A N ASP 656.A O.A no hydrogen 2.928 N/A ARG 660.A N ASP 656.A O.B no hydrogen 2.918 N/A ARG 660.A NE ASP 656.A OD2.A no hydrogen 3.169 N/A GLU 661.A N ARG 657.A O no hydrogen 3.112 N/A MET 662.A N GLY 658.A O no hydrogen 3.197 N/A CYS 663.A N PHE 659.A O no hydrogen 2.806 N/A CYS 663.A SG ASN 668.A O no hydrogen 4.016 N/A GLU 664.A N ARG 660.A O no hydrogen 3.125 N/A TYR 665.A N GLU 661.A O no hydrogen 2.890 N/A TYR 665.A OH ALA 439.A O no hydrogen 2.429 N/A MET 666.A N MET 662.A O no hydrogen 2.989 N/A ASN 667.A N GLU 664.A O no hydrogen 3.074 N/A ASN 667.A ND2 TYR 446.A O no hydrogen 3.076 N/A ASN 668.A N CYS 663.A O no hydrogen 2.919 N/A ASN 668.A ND2 SER 447.A OG no hydrogen 2.924 N/A ASN 668.A ND2 CYS 448.A O no hydrogen 3.179 N/A LYS 669.A N GLN 414.A O no hydrogen 2.969 N/A LYS 669.A NZ ARG 459.A O no hydrogen 3.074 N/A LYS 669.A NZ ASP 460.A OD1 no hydrogen 3.425 N/A GLN 670.A N GLN 414.A O no hydrogen 3.456 N/A HIS 671.A NE2 ASP 656.A OD1.A no hydrogen 3.147 N/A LEU 672.A N GLN 414.A OE1 no hydrogen 2.838 N/A ASP 676.A N ASP 403.A O no hydrogen 3.119 N/A ARG 677.A N GLU 652.A OE1 no hydrogen 2.927 N/A ARG 677.A NH1 ASP 706.A OD1 no hydrogen 3.132 N/A ARG 677.A NH2 ASP 706.A OD1 no hydrogen 3.176 N/A GLU 678.A N SER 401.A O no hydrogen 2.701 N/A ALA 679.A N SER 401.A OG no hydrogen 2.791 N/A ILE 680.A N ASP 706.A O no hydrogen 2.951 N/A ALA 681.A N VAL 399.A O no hydrogen 2.727 N/A GLY 682.A N ASN 703.A O no hydrogen 2.989 N/A LEU 685.A N THR 636.A OG1 no hydrogen 2.942 N/A SER 687.A N PRO 684.A O no hydrogen 3.157 N/A SER 687.A OG PRO 684.A O no hydrogen 2.486 N/A SER 687.A OG GLN 746.A O no hydrogen 3.556 N/A GLY 689.A N SER 687.A OG no hydrogen 3.319 N/A ILE 690.A N MET 744.A O no hydrogen 3.074 N/A GLY 691.A N LEU 745.A O no hydrogen 3.057 N/A PHE 693.A N ALA 701.A O no hydrogen 2.953 N/A TRP 694.A N ASN 394.A O no hydrogen 3.028 N/A THR 695.A N ARG 699.A O no hydrogen 2.993 N/A LYS 697.A NZ VAL 388.A O no hydrogen 3.214 N/A LYS 698.A N TYR 611.A OH no hydrogen 2.827 N/A LYS 698.A NZ ASP 613.A OD2 no hydrogen 2.941 N/A ARG 699.A N GLY 696.A O no hydrogen 3.259 N/A ARG 699.A NE THR 695.A OG1 no hydrogen 3.037 N/A ARG 699.A NH1 GLU 723.A OE1 no hydrogen 3.566 N/A ARG 699.A NH2 GLU 723.A OE1 no hydrogen 3.286 N/A TYR 700.A N MET 720.A O no hydrogen 3.060 N/A TYR 700.A OH TYR 618.A OH no hydrogen 2.598 N/A ALA 701.A N PHE 693.A O no hydrogen 2.950 N/A LEU 702.A N LYS 718.A O no hydrogen 2.860 N/A ASN 703.A N GLY 691.A O no hydrogen 2.875 N/A ASN 703.A ND2 GLY 682.A O no hydrogen 2.910 N/A VAL 704.A N LYS 716.A O no hydrogen 2.984 N/A TRP 705.A N ILE 680.A O no hydrogen 2.896 N/A TRP 705.A NE1 GLY 682.A O no hydrogen 2.769 N/A MET 707.A N THR 710.A O no hydrogen 3.087 N/A GLU 708.A N GLU 678.A O no hydrogen 2.800 N/A GLY 709.A N ASP 706.A OD1 no hydrogen 3.097 N/A THR 710.A N MET 707.A O no hydrogen 3.054 N/A THR 710.A OG1 GLN 485.A OE1 no hydrogen 2.915 N/A ARG 711.A NE ASP 706.A OD2 no hydrogen 2.812 N/A ARG 711.A NH1 ASN 637.A OD1 no hydrogen 2.893 N/A ARG 711.A NH1 ASP 641.A OD1 no hydrogen 2.840 N/A ARG 711.A NH2 ASP 641.A OD1 no hydrogen 2.715 N/A ARG 711.A NH2 ASP 644.A OD2 no hydrogen 3.165 N/A TYR 712.A N TRP 705.A O no hydrogen 3.111 N/A ALA 713.A N GLU 489.A OE1 no hydrogen 2.769 N/A LYS 716.A N VAL 704.A O no hydrogen 2.989 N/A LYS 718.A N LEU 702.A O no hydrogen 2.792 N/A MET 720.A N TYR 700.A O no hydrogen 2.872 N/A GLU 723.A N GLU 723.A OE1 no hydrogen 2.591 N/A THR 724.A OG1 GLN 725.A OE1 no hydrogen 2.771 N/A GLN 725.A N LEU 722.A O no hydrogen 2.840 N/A LYS 726.A N GLU 723.A O no hydrogen 3.208 N/A LYS 726.A NZ GLY 721.A O no hydrogen 2.941 N/A THR 729.A N LYS 726.A O no hydrogen 3.233 N/A THR 729.A OG1 GLU 723.A O no hydrogen 2.827 N/A ALA 732.A N SER 770.A O no hydrogen 2.752 N/A GLN 734.A N PRO 730.A O no hydrogen 2.930 N/A GLN 734.A NE2 LYS 726.A O no hydrogen 2.654 N/A LYS 735.A N LYS 731.A O no hydrogen 3.167 N/A ALA 736.A N ALA 732.A O no hydrogen 3.040 N/A LEU 737.A N VAL 733.A O no hydrogen 2.768 N/A LYS 738.A N GLN 734.A O no hydrogen 2.862 N/A GLU 739.A N LYS 735.A O no hydrogen 3.058 N/A CYS 740.A N ALA 736.A O no hydrogen 2.955 N/A CYS 740.A SG ALA 736.A O no hydrogen 3.357 N/A ILE 741.A N LEU 737.A O no hydrogen 2.919 N/A ARG 742.A N LYS 738.A O no hydrogen 2.787 N/A ARG 742.A NE GLU 739.A OE1 no hydrogen 3.008 N/A ARG 742.A NE GLU 739.A OE2 no hydrogen 3.263 N/A ARG 742.A NH1 GLN 746.A OE1 no hydrogen 2.940 N/A ARG 742.A NH1 GLU 747.A OE2 no hydrogen 3.032 N/A ARG 742.A NH2 GLU 739.A OE2 no hydrogen 2.887 N/A ARG 742.A NH2 GLU 747.A OE2 no hydrogen 2.953 N/A ARG 743.A N GLU 739.A O no hydrogen 2.996 N/A ARG 743.A NE GLU 739.A OE2 no hydrogen 2.984 N/A ARG 743.A NH1 SER 751.A O no hydrogen 2.959 N/A MET 744.A N CYS 740.A O no hydrogen 3.072 N/A LEU 745.A N ILE 741.A O no hydrogen 2.945 N/A GLN 746.A N ARG 742.A O no hydrogen 2.889 N/A GLN 746.A NE2 ASN 703.A OD1 no hydrogen 2.800 N/A GLU 747.A N ARG 743.A O no hydrogen 2.725 N/A GLY 748.A N ARG 743.A O no hydrogen 2.642 N/A SER 751.A OG GLU 747.A OE1 no hydrogen 2.491 N/A LEU 752.A N GLY 748.A O no hydrogen 3.209 N/A GLN 753.A N GLU 749.A O no hydrogen 2.947 N/A GLU 754.A N GLU 750.A O no hydrogen 3.066 N/A TYR 755.A N SER 751.A O no hydrogen 3.207 N/A PHE 756.A N LEU 752.A O no hydrogen 2.956 N/A LYS 757.A N GLN 753.A O no hydrogen 3.188 N/A GLU 758.A N GLU 754.A O no hydrogen 3.202 N/A PHE 759.A N TYR 755.A O no hydrogen 2.870 N/A GLU 760.A N PHE 756.A O no hydrogen 2.961 N/A LYS 761.A N LYS 757.A O no hydrogen 3.259 N/A GLU 762.A N GLU 758.A O no hydrogen 3.161 N/A GLU 762.A N PHE 759.A O no hydrogen 3.194 N/A PHE 763.A N PHE 759.A O no hydrogen 2.945 N/A ARG 764.A NH1.A GLU 760.A O no hydrogen 3.035 N/A GLN 765.A N GLU 762.A O no hydrogen 3.113 N/A LEU 766.A N PHE 763.A O no hydrogen 3.028 N/A TYR 768.A OH GLU 845.A OE1 no hydrogen 2.283 N/A ILE 769.A N ASN 767.A OD1 no hydrogen 2.943 N/A SER 770.A N ASN 767.A O no hydrogen 2.987 N/A SER 770.A OG ASN 767.A O no hydrogen 2.608 N/A ILE 771.A N TYR 768.A O no hydrogen 3.319 N/A ALA 772.A N ILE 769.A O no hydrogen 3.285 N/A SER 773.A N VAL 824.A O no hydrogen 3.025 N/A VAL 774.A N SER 728.A O no hydrogen 2.943 N/A SER 775.A N VAL 822.A O no hydrogen 2.940 N/A SER 775.A OG SER 776.A O no hydrogen 3.375 N/A ALA 777.A N GLU 820.A O no hydrogen 2.746 N/A ASN 779.A N GLU 818.A OE2 no hydrogen 2.865 N/A ILE 780.A N GLU 818.A OE1 no hydrogen 3.160 N/A TYR 783.A N ILE 780.A O no hydrogen 3.229 N/A ASP 784.A N ALA 781.A O no hydrogen 3.199 N/A VAL 785.A N PHE 788.A O no hydrogen 2.728 N/A GLY 787.A N ASP 784.A OD1 no hydrogen 2.839 N/A PHE 788.A N VAL 785.A O no hydrogen 3.059 N/A GLY 790.A N TYR 783.A O no hydrogen 2.834 N/A CYS 793.A N GLY 790.A O no hydrogen 3.213 N/A CYS 793.A SG PRO 794.A O no hydrogen 3.547 N/A ARG 798.A N PRO 794.A O no hydrogen 2.939 N/A ARG 798.A NH1 ASP 835.A OD1 no hydrogen 3.133 N/A ARG 798.A NH1 ASP 835.A OD2 no hydrogen 3.313 N/A GLY 799.A N PHE 795.A O no hydrogen 3.122 N/A ILE 800.A N HIS 796.A O no hydrogen 3.193 N/A LEU 801.A N ILE 797.A O no hydrogen 3.077 N/A THR 802.A N ARG 798.A O no hydrogen 3.055 N/A THR 802.A OG1 ARG 798.A O no hydrogen 2.822 N/A THR 802.A OG1 CYS 837.A O no hydrogen 3.029 N/A TYR 803.A N GLY 799.A O no hydrogen 3.011 N/A TYR 803.A OH PRO 814.A O no hydrogen 2.551 N/A ASN 804.A N ILE 800.A O no hydrogen 2.847 N/A ARG 805.A N LEU 801.A O no hydrogen 3.071 N/A ARG 805.A NH1 GLY 787.A O no hydrogen 3.016 N/A ARG 805.A NH2 PHE 833.A O no hydrogen 3.279 N/A ALA 806.A N THR 802.A O no hydrogen 3.136 N/A ILE 807.A N TYR 803.A O no hydrogen 3.031 N/A ASN 810.A N ILE 807.A O no hydrogen 3.031 N/A ALA 813.A N ASN 810.A O no hydrogen 3.205 N/A GLY 819.A N ALA 777.A O no hydrogen 2.730 N/A GLU 820.A N VAL 817.A O no hydrogen 3.008 N/A LYS 821.A NZ ASN 276.A OD1 no hydrogen 2.670 N/A LYS 821.A NZ GLN 277.A O no hydrogen 2.793 N/A VAL 822.A N SER 775.A O no hydrogen 2.740 N/A TYR 823.A N TRP 840.A O no hydrogen 2.898 N/A VAL 824.A N SER 773.A O no hydrogen 2.769 N/A LEU 825.A N ILE 838.A O no hydrogen 2.971 N/A LEU 827.A N LYS 836.A O no hydrogen 2.766 N/A ARG 828.A N TRP 857.A O no hydrogen 2.757 N/A ARG 828.A NH2 HIS 856.A O no hydrogen 2.714 N/A ASN 831.A N ARG 828.A O no hydrogen 3.306 N/A ASN 831.A ND2 ARG 828.A O no hydrogen 2.826 N/A ASN 831.A ND2 ASP 835.A O no hydrogen 2.746 N/A PHE 833.A N ASN 831.A OD1 no hydrogen 2.915 N/A GLY 834.A N ASN 831.A O no hydrogen 3.416 N/A LYS 836.A N ASP 835.A OD1 no hydrogen 2.920 N/A CYS 837.A SG PHE 795.A O no hydrogen 3.336 N/A ILE 838.A N LEU 825.A O no hydrogen 2.924 N/A ALA 839.A N GLY 799.A O no hydrogen 2.925 N/A TRP 840.A N TYR 823.A O no hydrogen 3.114 N/A TRP 840.A NE1 THR 844.A O no hydrogen 2.979 N/A SER 842.A N LYS 821.A O no hydrogen 2.968 N/A SER 842.A OG PRO 278.A O no hydrogen 2.682 N/A SER 842.A OG LYS 821.A O no hydrogen 3.233 N/A THR 844.A OG1 PRO 841.A O no hydrogen 2.518 N/A THR 844.A OG1 GLU 845.A O no hydrogen 3.322 N/A ILE 846.A N TYR 768.A OH no hydrogen 3.193 N/A LEU 849.A N THR 847.A OG1 no hydrogen 3.255 N/A ILE 850.A N THR 847.A O no hydrogen 3.114 N/A LYS 851.A NZ GLU 845.A OE1 no hydrogen 2.807 N/A VAL 854.A N ILE 850.A O no hydrogen 3.042 N/A LEU 855.A N LYS 851.A O no hydrogen 2.969 N/A HIS 856.A N ASP 852.A O no hydrogen 3.153 N/A TRP 857.A N ASP 853.A O no hydrogen 3.165 N/A TRP 857.A N VAL 854.A O no hydrogen 3.139 N/A ASP 859.A N PRO 826.A O no hydrogen 2.877 N/A VAL 862.A N ASP 859.A OD1 no hydrogen 3.087 N/A LEU 863.A N ASP 859.A O no hydrogen 2.957 N/A LEU 864.A N TYR 860.A O no hydrogen 2.875 N/A GLU 865.A N THR 861.A O no hydrogen 3.113 N/A LYS 866.A N VAL 862.A O no hydrogen 2.922 N/A THR 867.A N LEU 863.A O no hydrogen 3.115 N/A THR 867.A OG1 LEU 863.A O no hydrogen 2.676 N/A PHE 868.A N LEU 864.A O no hydrogen 2.914 N/A ILE 869.A N LEU 864.A O no hydrogen 2.989 N/A LYS 870.A N GLU 865.A O no hydrogen 3.213 N/A LEU 872.A N PHE 868.A O no hydrogen 3.057 N/A GLU 873.A N ILE 869.A O no hydrogen 2.754 N/A GLY 874.A N LYS 870.A O no hydrogen 3.176 N/A PHE 875.A N PRO 871.A O no hydrogen 3.001 N/A THR 876.A N LEU 872.A O no hydrogen 2.993 N/A THR 876.A OG1 LEU 872.A O no hydrogen 3.006 N/A THR 876.A OG1 GLU 873.A O no hydrogen 3.405 N/A SER 877.A N GLU 873.A O no hydrogen 3.074 N/A SER 877.A OG GLU 873.A O no hydrogen 2.920 N/A SER 877.A OG GLY 874.A O no hydrogen 3.505 N/A ALA 878.A N GLY 874.A O no hydrogen 3.365 N/A ALA 879.A N PHE 875.A O no hydrogen 3.010 N/A LYS 880.A N SER 877.A O no hydrogen 3.272 N/A LEU 881.A N THR 876.A O no hydrogen 2.902 N/A ASP 882.A N GLU 749.A OE2 no hydrogen 2.671 N/A SER 888.A N ASP 891.A OD1 no hydrogen 2.903 N/A PHE 890.A N SER 888.A OG no hydrogen 3.132 N/A ASP 891.A N SER 888.A O no hydrogen 3.197 N/A MET 892.A N LEU 889.A O no hydrogen 3.417 N/A PHE 893.A N PHE 890.A O no hydrogen 3.291 N/A