Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pjl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLY 15.A O no hydrogen 2.793 N/A TRP 4.A N PHE 45.A O no hydrogen 2.794 N/A ALA 5.A N GLN 13.A O no hydrogen 3.021 N/A HIS 7.A N GLY 11.A O no hydrogen 3.188 N/A THR 9.A N HIS 7.A ND1 no hydrogen 3.238 N/A ASP 10.A N HIS 7.A ND1 no hydrogen 2.947 N/A GLY 11.A N HIS 7.A O no hydrogen 3.110 N/A GLN 13.A N ALA 5.A O no hydrogen 2.898 N/A GLN 13.A NE2 PRO 6.A O no hydrogen 2.963 N/A GLY 15.A N VAL 3.A O no hydrogen 3.009 N/A ASN 16.A N GLU 28.A O no hydrogen 2.982 N/A VAL 18.A N THR 26.A O no hydrogen 2.955 N/A ILE 20.A N ASP 19.A OD1 no hydrogen 2.804 N/A GLY 21.A N SER 24.A O no hydrogen 3.026 N/A SER 24.A N GLY 21.A O no hydrogen 3.286 N/A LEU 25.A N ALA 39.A O no hydrogen 2.879 N/A THR 26.A N ASP 19.A O no hydrogen 2.871 N/A ILE 27.A N PHE 37.A O no hydrogen 2.790 N/A GLU 28.A N ASN 16.A O no hydrogen 2.830 N/A LEU 30.A N VAL 14.A O no hydrogen 3.094 N/A GLN 32.A N PRO 29.A O no hydrogen 3.080 N/A GLY 34.A N GLU 28.A OE1 no hydrogen 3.110 N/A LYS 35.A N GLN 32.A O no hydrogen 3.297 N/A LYS 35.A NZ GLN 32.A OE1 no hydrogen 2.800 N/A PHE 37.A N ILE 27.A O no hydrogen 2.938 N/A ALA 39.A N LEU 25.A O no hydrogen 3.030 N/A GLN 43.A N LEU 40.A O no hydrogen 2.938 N/A VAL 44.A N ILE 41.A O no hydrogen 3.373 N/A PHE 45.A N TRP 4.A O no hydrogen 2.944 N/A LYS 52.A N ASP 50.A OD1 no hydrogen 3.078 N/A LYS 53.A N ASP 50.A OD1 no hydrogen 3.258 N/A LYS 53.A NZ GLU 48.A OE1 no hydrogen 2.773 N/A VAL 55.A N ASN 72.A OD1 no hydrogen 2.780 N/A ASN 58.A N TYR 85.A O no hydrogen 2.939 N/A ASN 58.A ND2 TYR 85.A O no hydrogen 2.849 N/A CYS 59.A N ASP 57.A OD1 no hydrogen 3.098 N/A SER 60.A N ASP 57.A O no hydrogen 2.949 N/A SER 60.A OG ASP 57.A O no hydrogen 3.168 N/A LEU 61.A N ASN 58.A O no hydrogen 3.221 N/A MET 62.A N GLU 48.A OE1 no hydrogen 3.016 N/A TYR 63.A N GLU 48.A OE2 no hydrogen 2.802 N/A ASN 65.A N THR 68.A OG1 no hydrogen 3.210 N/A ASN 65.A ND2 PRO 46.A O no hydrogen 3.183 N/A THR 68.A N ASN 65.A OD1 no hydrogen 3.013 N/A THR 68.A OG1 TYR 63.A O no hydrogen 2.655 N/A THR 68.A OG1 ASN 65.A O no hydrogen 3.238 N/A LEU 69.A N ASN 65.A O no hydrogen 2.958 N/A LEU 70.A N GLU 66.A O no hydrogen 3.055 N/A HIS 71.A N ALA 67.A O no hydrogen 3.038 N/A HIS 71.A NE2 SER 51.A O no hydrogen 2.808 N/A ASN 72.A N THR 68.A O no hydrogen 2.982 N/A ASN 72.A ND2 VAL 55.A O no hydrogen 2.900 N/A ASN 72.A ND2 ASN 58.A OD1 no hydrogen 2.753 N/A ILE 73.A N LEU 69.A O no hydrogen 3.087 N/A LYS 74.A N LEU 70.A O no hydrogen 2.946 N/A LYS 74.A NZ HIS 71.A ND1 no hydrogen 2.819 N/A VAL 75.A N HIS 71.A O no hydrogen 2.923 N/A ARG 76.A N ASN 72.A O no hydrogen 3.195 N/A ARG 76.A NE THR 84.A OG1 no hydrogen 2.947 N/A ARG 76.A NH1 ASP 54.A OD1 no hydrogen 2.771 N/A ARG 76.A NH2 TYR 83.A O no hydrogen 2.758 N/A TYR 77.A N ILE 73.A O no hydrogen 2.922 N/A TYR 77.A OH ASN 94.A O no hydrogen 2.770 N/A SER 78.A N LYS 74.A O no hydrogen 3.047 N/A SER 78.A OG VAL 75.A O no hydrogen 2.654 N/A LYS 79.A N ARG 76.A O no hydrogen 3.073 N/A ASP 80.A N TYR 77.A O no hydrogen 2.992 N/A ARG 81.A N ARG 76.A O no hydrogen 2.832 N/A TYR 83.A OH TYR 103.A OH no hydrogen 2.631 N/A TYR 83.A OH ASN 156.A OD1 no hydrogen 2.807 N/A THR 84.A N ILE 91.A O no hydrogen 3.077 N/A TYR 85.A N GLU 56.A O no hydrogen 2.960 N/A VAL 86.A N ILE 89.A O no hydrogen 2.908 N/A ALA 87.A N ASP 57.A OD1 no hydrogen 2.851 N/A ILE 89.A N VAL 86.A O no hydrogen 3.072 N/A LEU 90.A N PHE 636.A O no hydrogen 3.072 N/A ILE 91.A N THR 84.A O no hydrogen 2.772 N/A ALA 92.A N ARG 638.A O no hydrogen 2.872 N/A VAL 93.A N ILE 82.A O no hydrogen 2.875 N/A ASN 94.A N ILE 640.A O no hydrogen 2.876 N/A ASN 94.A ND2 GLY 150.A O no hydrogen 2.850 N/A TYR 96.A N ASN 94.A OD1 no hydrogen 2.942 N/A TYR 103.A OH TYR 83.A OH no hydrogen 2.631 N/A SER 104.A N LYS 101.A O no hydrogen 3.118 N/A SER 104.A OG LYS 101.A O no hydrogen 2.893 N/A SER 104.A OG THR 107.A OG1 no hydrogen 2.795 N/A SER 105.A OG GLU 166.A OE2 no hydrogen 2.773 N/A THR 107.A N SER 104.A OG no hydrogen 3.171 N/A THR 107.A OG1 LYS 101.A O no hydrogen 2.818 N/A THR 107.A OG1 SER 104.A OG no hydrogen 2.795 N/A ILE 108.A N SER 104.A O no hydrogen 2.932 N/A LYS 109.A N SER 105.A O no hydrogen 3.066 N/A SER 110.A N GLU 106.A O no hydrogen 3.139 N/A SER 110.A OG THR 107.A O no hydrogen 2.641 N/A TYR 111.A N ILE 108.A O no hydrogen 3.148 N/A TYR 111.A OH PRO 120.A O no hydrogen 2.681 N/A GLN 112.A N LYS 109.A O no hydrogen 3.192 N/A GLN 112.A NE2 SER 167.A OG no hydrogen 2.937 N/A GLY 113.A N ASP 128.A OD2 no hydrogen 2.998 N/A LYS 114.A N TYR 111.A O no hydrogen 3.359 N/A LYS 114.A NZ SER 110.A O no hydrogen 2.798 N/A SER 115.A OG ASP 738.A OD2 no hydrogen 2.664 N/A THR 118.A N SER 115.A O no hydrogen 3.189 N/A THR 118.A OG1 SER 115.A O no hydrogen 3.441 N/A HIS 122.A NE2 ILE 102.A O no hydrogen 2.817 N/A PHE 124.A N HIS 122.A ND1 no hydrogen 2.881 N/A ALA 125.A N HIS 122.A O no hydrogen 3.131 N/A ALA 127.A N VAL 123.A O no hydrogen 3.078 N/A ASP 128.A N PHE 124.A O no hydrogen 2.878 N/A LYS 129.A N ALA 125.A O no hydrogen 2.954 N/A LYS 129.A NZ ASP 133.A OD2 no hydrogen 2.818 N/A ALA 130.A N ILE 126.A O no hydrogen 3.024 N/A PHE 131.A N ALA 127.A O no hydrogen 3.098 N/A ARG 132.A N ASP 128.A O no hydrogen 2.878 N/A ARG 132.A NH2 ASP 128.A OD2 no hydrogen 2.564 N/A ASP 133.A N LYS 129.A O no hydrogen 2.901 N/A MET 134.A N ALA 130.A O no hydrogen 2.997 N/A LYS 135.A N PHE 131.A O no hydrogen 2.927 N/A VAL 136.A N ARG 132.A O no hydrogen 2.982 N/A LEU 137.A N ASP 133.A O no hydrogen 2.822 N/A LEU 139.A N MET 134.A O no hydrogen 3.346 N/A GLN 141.A N PHE 437.A O no hydrogen 2.873 N/A GLN 141.A NE2 LEU 139.A O no hydrogen 2.921 N/A SER 142.A N.A GLY 633.A O no hydrogen 2.801 N/A SER 142.A N.B GLY 633.A O no hydrogen 2.809 N/A SER 142.A OG.A THR 632.A OG1 no hydrogen 2.843 N/A ILE 143.A N GLY 439.A O no hydrogen 2.724 N/A ILE 144.A N SER 635.A O no hydrogen 2.858 N/A VAL 145.A N LEU 441.A O no hydrogen 3.093 N/A SER 146.A N ILE 637.A O no hydrogen 2.964 N/A ALA 151.A N GLU 148.A O no hydrogen 3.053 N/A LYS 153.A NZ GLY 147.A O no hydrogen 3.122 N/A LYS 153.A NZ GLU 444.A OE2 no hydrogen 3.178 N/A THR 154.A OG1 SER 200.A OG no hydrogen 2.887 N/A THR 154.A OG1 ASP 442.A OD2 no hydrogen 2.779 N/A ASN 156.A N GLY 152.A O no hydrogen 3.046 N/A ASN 156.A ND2 GLY 152.A O no hydrogen 2.883 N/A THR 157.A N LYS 153.A O no hydrogen 2.963 N/A THR 157.A OG1 LYS 153.A O no hydrogen 2.818 N/A LYS 158.A N THR 154.A O no hydrogen 3.162 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 2.827 N/A LYS 158.A NZ GLU 186.A OE1 no hydrogen 3.423 N/A LYS 158.A NZ GLU 186.A OE2 no hydrogen 2.782 N/A PHE 159.A N GLU 155.A O no hydrogen 2.983 N/A VAL 160.A N ASN 156.A O no hydrogen 3.003 N/A LEU 161.A N THR 157.A O no hydrogen 3.015 N/A ARG 162.A N LYS 158.A O no hydrogen 2.869 N/A ARG 162.A NH1 TYR 103.A O no hydrogen 2.744 N/A ARG 162.A NH2 TYR 103.A O no hydrogen 2.797 N/A TYR 163.A N PHE 159.A O no hydrogen 2.840 N/A TYR 163.A OH ASP 128.A OD1 no hydrogen 2.579 N/A LEU 164.A N VAL 160.A O no hydrogen 3.001 N/A THR 165.A N LEU 161.A O no hydrogen 3.082 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.844 N/A THR 165.A OG1 ARG 162.A O no hydrogen 3.432 N/A GLU 166.A N ARG 162.A O no hydrogen 3.085 N/A SER 167.A N TYR 163.A O no hydrogen 2.944 N/A SER 167.A OG TYR 163.A O no hydrogen 2.779 N/A TYR 168.A N LEU 164.A O no hydrogen 2.859 N/A TYR 168.A OH ASP 128.A OD1 no hydrogen 2.598 N/A THR 170.A N ASP 175.A OD1 no hydrogen 3.173 N/A GLY 171.A N ASP 175.A OD2 no hydrogen 2.732 N/A ARG 177.A N ASP 173.A O no hydrogen 3.333 N/A ARG 177.A N ILE 174.A O no hydrogen 3.220 N/A ARG 177.A NH1 CYS 428.A O no hydrogen 2.991 N/A GLU 180.A N ASP 176.A O no hydrogen 2.713 N/A ASN 182.A N.A VAL 179.A O no hydrogen 3.273 N/A ASN 182.A N.B VAL 179.A O no hydrogen 3.274 N/A ASN 182.A ND2.A VAL 179.A O no hydrogen 3.155 N/A LEU 185.A N ALA 181.A O no hydrogen 3.159 N/A GLU 186.A N ASN 182.A O.A no hydrogen 2.970 N/A GLU 186.A N ASN 182.A O.B no hydrogen 2.969 N/A ALA 187.A N PRO 183.A O no hydrogen 3.166 N/A GLY 189.A N LEU 185.A O no hydrogen 2.878 N/A ASN 190.A N GLU 186.A O no hydrogen 2.990 N/A ASN 190.A ND2 ASN 198.A O no hydrogen 3.101 N/A ASN 190.A ND2 ASN 198.A OD1 no hydrogen 3.169 N/A ALA 191.A N SER 199.A O no hydrogen 2.964 N/A LYS 192.A NZ GLU 237.A O no hydrogen 2.749 N/A THR 193.A N ASN 196.A O no hydrogen 2.935 N/A THR 193.A OG1 ASN 196.A O no hydrogen 3.255 N/A VAL 194.A N GLU 238.A OE2 no hydrogen 2.947 N/A ASN 196.A N THR 193.A OG1 no hydrogen 3.318 N/A ASN 197.A ND2 ASP 304.A OD1 no hydrogen 2.743 N/A ASN 198.A N ASN 196.A OD1 no hydrogen 2.898 N/A ASN 198.A ND2 GLU 186.A OE1 no hydrogen 3.078 N/A SER 199.A N ALA 191.A O no hydrogen 3.066 N/A SER 200.A OG THR 154.A OG1 no hydrogen 2.887 N/A ARG 201.A N GLY 189.A O no hydrogen 2.821 N/A ARG 201.A NE GLU 227.A OE1 no hydrogen 2.795 N/A ARG 201.A NH1 SER 199.A OG no hydrogen 2.867 N/A ARG 201.A NH2 GLU 227.A OE1 no hydrogen 3.015 N/A GLY 203.A N TYR 224.A O no hydrogen 2.848 N/A LYS 204.A N ASP 442.A O no hydrogen 3.048 N/A LYS 204.A NZ ASP 442.A OD2 no hydrogen 2.733 N/A PHE 205.A N SER 222.A O no hydrogen 3.000 N/A VAL 206.A N VAL 440.A O no hydrogen 2.997 N/A GLU 207.A N PHE 220.A O no hydrogen 2.795 N/A ILE 208.A N ILE 438.A O no hydrogen 2.820 N/A HIS 209.A N GLY 218.A O no hydrogen 2.782 N/A HIS 209.A ND1 SER 434.A OG no hydrogen 2.798 N/A HIS 209.A NE2 GLU 207.A OE1 no hydrogen 2.799 N/A PHE 210.A N TYR 436.A O no hydrogen 2.904 N/A ASN 211.A N SER 215.A O no hydrogen 3.063 N/A SER 214.A N ASN 211.A O no hydrogen 3.117 N/A SER 215.A N ASN 211.A OD1 no hydrogen 3.182 N/A VAL 216.A N TYR 168.A O no hydrogen 3.213 N/A VAL 217.A N HIS 209.A O no hydrogen 2.792 N/A GLY 219.A N PHE 429.A O no hydrogen 3.031 N/A PHE 220.A N GLU 207.A O no hydrogen 2.940 N/A VAL 221.A N ASN 426.A OD1 no hydrogen 2.829 N/A SER 222.A N PHE 205.A O no hydrogen 2.923 N/A HIS 223.A NE2 ASP 419.A OD1 no hydrogen 2.720 N/A TYR 224.A N GLY 203.A O no hydrogen 2.812 N/A GLU 227.A N ARG 201.A O no hydrogen 2.842 N/A LYS 228.A NZ SER 415.A OG no hydrogen 3.244 N/A SER 229.A OG GLU 455.A OE2 no hydrogen 3.159 N/A ARG 230.A NE GLU 227.A OE1 no hydrogen 2.840 N/A ARG 230.A NH1 GLU 227.A OE1 no hydrogen 3.118 N/A ARG 230.A NH1 GLU 238.A OE1 no hydrogen 3.040 N/A ARG 230.A NH2 GLU 238.A OE1 no hydrogen 3.199 N/A ARG 230.A NH2 ARG 239.A O no hydrogen 2.943 N/A ILE 231.A N LYS 228.A O no hydrogen 3.239 N/A CYS 232.A N SER 229.A O no hydrogen 3.317 N/A CYS 232.A SG ASP 407.A O no hydrogen 3.826 N/A VAL 233.A N SER 229.A O no hydrogen 3.451 N/A GLN 234.A NE2 ARG 230.A O no hydrogen 2.734 N/A GLN 234.A NE2 TYR 269.A O no hydrogen 2.883 N/A GLU 238.A N GLY 235.A O no hydrogen 2.910 N/A ARG 239.A N LYS 192.A O no hydrogen 2.969 N/A ARG 239.A NH1 ARG 276.A O no hydrogen 3.055 N/A ARG 239.A NH1 ASP 309.A OD2 no hydrogen 2.750 N/A ARG 239.A NH2 HIS 242.A ND1 no hydrogen 3.460 N/A ARG 239.A NH2 ASP 309.A OD1 no hydrogen 3.028 N/A ARG 239.A NH2 ASP 309.A OD2 no hydrogen 3.477 N/A ASN 240.A N TYR 245.A OH no hydrogen 2.887 N/A ASN 240.A ND2 ILE 231.A O no hydrogen 2.827 N/A ASN 240.A ND2 TYR 269.A O no hydrogen 2.945 N/A TYR 241.A N ASN 240.A OD1 no hydrogen 2.811 N/A TYR 241.A OH GLU 227.A O no hydrogen 2.645 N/A HIS 242.A N ASN 190.A O no hydrogen 3.017 N/A HIS 242.A NE2 ASN 198.A OD1 no hydrogen 2.802 N/A ILE 243.A N ALA 187.A O no hydrogen 2.871 N/A PHE 244.A N TYR 241.A O no hydrogen 3.347 N/A ARG 246.A N HIS 242.A O no hydrogen 2.926 N/A ARG 246.A NH1 PRO 183.A O no hydrogen 3.466 N/A LEU 247.A N ILE 243.A O no hydrogen 2.891 N/A CYS 248.A N PHE 244.A O no hydrogen 2.997 N/A CYS 248.A SG PHE 244.A O no hydrogen 3.340 N/A CYS 248.A SG SER 262.A O no hydrogen 3.555 N/A ALA 249.A N TYR 245.A O no hydrogen 2.797 N/A GLY 250.A N ARG 246.A O no hydrogen 2.806 N/A ALA 251.A N LEU 247.A O no hydrogen 2.949 N/A ILE 255.A N SER 252.A OG no hydrogen 3.304 N/A ARG 256.A N SER 252.A O no hydrogen 2.941 N/A ARG 256.A NE GLU 253.A OE1 no hydrogen 3.066 N/A ARG 256.A NH2 LEU 261.A O no hydrogen 2.912 N/A GLU 257.A N GLU 253.A O no hydrogen 2.847 N/A ARG 258.A N ASP 254.A O no hydrogen 3.007 N/A LEU 259.A N ILE 255.A O no hydrogen 2.812 N/A HIS 260.A N GLU 257.A O no hydrogen 3.301 N/A LEU 261.A N ARG 256.A O no hydrogen 2.957 N/A SER 263.A OG ASP 265.A OD1 no hydrogen 2.537 N/A ASN 266.A N SER 263.A O no hydrogen 3.069 N/A ASN 266.A ND2 SER 263.A O no hydrogen 3.111 N/A PHE 267.A N PRO 264.A O no hydrogen 3.155 N/A ARG 268.A N ASN 345.A OD1 no hydrogen 2.934 N/A ARG 268.A NH1 ASP 347.A OD2 no hydrogen 2.866 N/A ARG 268.A NH2 GLY 344.A O no hydrogen 2.890 N/A TYR 269.A OH ASP 407.A OD1 no hydrogen 2.708 N/A LEU 270.A N PHE 267.A O no hydrogen 3.004 N/A ASN 271.A N PHE 267.A O no hydrogen 2.750 N/A ASN 271.A ND2 ASP 265.A O no hydrogen 2.983 N/A ARG 272.A NE ARG 268.A O no hydrogen 2.813 N/A ARG 272.A NH1 CYS 232.A O no hydrogen 2.764 N/A ARG 272.A NH1 ARG 268.A O no hydrogen 3.160 N/A GLY 273.A N LEU 270.A O no hydrogen 3.263 N/A CYS 274.A N GLU 238.A O no hydrogen 2.838 N/A THR 275.A OG1 SER 293.A OG no hydrogen 2.786 N/A ARG 276.A NE GLY 300.A O no hydrogen 2.967 N/A ARG 276.A NH1 GLY 300.A O no hydrogen 3.429 N/A ARG 276.A NH1 SER 301.A O no hydrogen 3.225 N/A TYR 277.A OH ARG 291.A O no hydrogen 2.662 N/A PHE 278.A N ASP 309.A OD2 no hydrogen 2.871 N/A ALA 279.A N LEU 302.A O no hydrogen 3.211 N/A ASN 280.A N THR 283.A OG1 no hydrogen 3.041 N/A THR 283.A N ASN 280.A OD1 no hydrogen 2.921 N/A THR 283.A OG1 ASN 280.A OD1 no hydrogen 3.364 N/A THR 283.A OG1 ASP 308.A OD1 no hydrogen 2.660 N/A THR 283.A OG1 ASP 308.A OD2 no hydrogen 3.325 N/A ASP 284.A N ASN 280.A O no hydrogen 3.014 N/A LYS 285.A N GLU 282.A O no hydrogen 3.260 N/A GLN 286.A N THR 283.A O no hydrogen 2.920 N/A ILE 287.A N ASP 284.A O no hydrogen 3.282 N/A ASN 290.A ND2 GLU 253.A OE2 no hydrogen 3.214 N/A ARG 291.A N LEU 288.A O no hydrogen 3.140 N/A ARG 291.A NE GLU 253.A OE2 no hydrogen 3.287 N/A ARG 291.A NE ASN 290.A OD1 no hydrogen 3.037 N/A ARG 291.A NH1 CYS 248.A O no hydrogen 2.965 N/A ARG 291.A NH1 ALA 251.A O no hydrogen 2.785 N/A ARG 291.A NH2 ALA 251.A O no hydrogen 2.799 N/A ARG 291.A NH2 GLU 253.A OE2 no hydrogen 2.836 N/A LYS 292.A N GLN 289.A O no hydrogen 3.188 N/A LYS 292.A NZ ASP 284.A O no hydrogen 2.837 N/A LYS 292.A NZ ASP 284.A OD1 no hydrogen 3.092 N/A LYS 292.A NZ ILE 287.A O no hydrogen 3.353 N/A SER 293.A OG THR 275.A O no hydrogen 3.349 N/A SER 293.A OG THR 275.A OG1 no hydrogen 2.786 N/A TYR 296.A N SER 293.A OG no hydrogen 3.206 N/A TYR 296.A OH ASP 284.A OD1 no hydrogen 2.610 N/A LEU 297.A N SER 293.A O no hydrogen 3.059 N/A LYS 298.A N PRO 294.A O no hydrogen 2.987 N/A ALA 299.A N GLU 295.A O no hydrogen 2.789 N/A GLY 300.A N TYR 296.A O no hydrogen 2.865 N/A SER 301.A OG ALA 279.A O no hydrogen 2.740 N/A LEU 302.A N TYR 277.A O no hydrogen 2.883 N/A LYS 303.A NZ SER 301.A O no hydrogen 3.068 N/A LYS 303.A NZ SER 301.A OG no hydrogen 3.029 N/A LEU 306.A N ASP 304.A OD2 no hydrogen 3.012 N/A LEU 307.A N ASP 304.A OD2 no hydrogen 2.944 N/A ASP 308.A N ASP 312.A OD2 no hydrogen 2.866 N/A ASP 309.A N PHE 278.A O no hydrogen 2.908 N/A GLY 311.A N ASP 308.A OD2 no hydrogen 2.819 N/A ASP 312.A N ASP 308.A O no hydrogen 2.725 N/A PHE 313.A N ASP 309.A O no hydrogen 3.022 N/A ILE 314.A N HIS 310.A O no hydrogen 3.297 N/A ARG 315.A N GLY 311.A O no hydrogen 3.012 N/A ARG 315.A NE ASP 312.A OD1 no hydrogen 3.306 N/A ARG 315.A NH2 ASP 312.A OD1 no hydrogen 2.754 N/A MET 316.A N ASP 312.A O no hydrogen 2.869 N/A CYS 317.A N PHE 313.A O no hydrogen 3.068 N/A CYS 317.A SG PHE 313.A O no hydrogen 3.334 N/A THR 318.A N ILE 314.A O no hydrogen 3.050 N/A THR 318.A OG1 ILE 314.A O no hydrogen 3.093 N/A ALA 319.A N ARG 315.A O no hydrogen 2.932 N/A MET 320.A N MET 316.A O no hydrogen 2.852 N/A LYS 321.A N CYS 317.A O no hydrogen 3.163 N/A LYS 322.A N THR 318.A O no hydrogen 2.956 N/A LYS 322.A NZ GLU 180.A OE2 no hydrogen 3.085 N/A ILE 323.A N ALA 319.A O no hydrogen 3.053 N/A GLY 324.A N LYS 321.A O no hydrogen 3.058 N/A LEU 325.A N MET 320.A O no hydrogen 2.894 N/A GLU 329.A N ASP 326.A O no hydrogen 2.998 N/A LYS 330.A N ASP 326.A O no hydrogen 3.284 N/A LYS 330.A NZ ASP 327.A OD1 no hydrogen 3.040 N/A LEU 331.A N ASP 327.A O no hydrogen 3.157 N/A ASP 332.A N GLU 328.A O no hydrogen 2.937 N/A LEU 333.A N GLU 329.A O no hydrogen 2.987 N/A PHE 334.A N LYS 330.A O no hydrogen 3.079 N/A ARG 335.A N LEU 331.A O no hydrogen 2.919 N/A ARG 335.A NH1 LEU 374.A O no hydrogen 2.845 N/A ARG 335.A NH2 ASP 332.A OD1 no hydrogen 2.798 N/A ARG 335.A NH2 ASP 600.A OD2 no hydrogen 3.109 N/A VAL 336.A N ASP 332.A O no hydrogen 3.298 N/A VAL 337.A N LEU 333.A O no hydrogen 3.232 N/A ALA 338.A N PHE 334.A O no hydrogen 3.074 N/A GLY 339.A N ARG 335.A O no hydrogen 2.896 N/A VAL 340.A N VAL 336.A O no hydrogen 3.015 N/A LEU 341.A N VAL 337.A O no hydrogen 3.090 N/A HIS 342.A N ALA 338.A O no hydrogen 2.866 N/A HIS 342.A NE2 LEU 259.A O no hydrogen 2.874 N/A LEU 343.A N GLY 339.A O no hydrogen 2.900 N/A GLY 344.A N VAL 340.A O no hydrogen 3.221 N/A ASN 345.A N HIS 342.A O no hydrogen 3.035 N/A ASN 345.A ND2 ASN 266.A O no hydrogen 2.862 N/A ILE 346.A N LEU 343.A O no hydrogen 3.116 N/A ASP 347.A N SER 364.A OG no hydrogen 2.866 N/A GLU 349.A N ASN 359.A O no hydrogen 2.824 N/A ALA 351.A N GLY 357.A O no hydrogen 3.151 N/A SER 355.A N GLY 352.A O no hydrogen 3.005 N/A SER 355.A OG GLU 350.A OE1 no hydrogen 3.022 N/A GLY 357.A N ALA 351.A O no hydrogen 2.866 N/A CYS 358.A SG LEU 397.A O no hydrogen 3.339 N/A ASN 359.A N GLU 349.A O no hydrogen 2.904 N/A LYS 361.A N ASP 347.A O no hydrogen 2.805 N/A SER 364.A N LYS 361.A O no hydrogen 2.873 N/A SER 364.A OG ASP 347.A O no hydrogen 3.430 N/A THR 365.A N ASN 362.A O no hydrogen 3.404 N/A THR 365.A OG1 ASN 362.A O no hydrogen 2.697 N/A LEU 368.A N SER 364.A O no hydrogen 2.980 N/A GLU 369.A N THR 365.A O no hydrogen 3.090 N/A TYR 370.A N GLN 366.A O no hydrogen 2.815 N/A CYS 371.A N ALA 367.A O no hydrogen 2.902 N/A CYS 371.A SG GLY 339.A O no hydrogen 3.655 N/A ALA 372.A N LEU 368.A O no hydrogen 2.998 N/A GLU 373.A N GLU 369.A O no hydrogen 3.102 N/A LEU 374.A N TYR 370.A O no hydrogen 2.938 N/A LEU 375.A N CYS 371.A O no hydrogen 2.954 N/A LEU 377.A N ALA 372.A O no hydrogen 2.734 N/A ASP 381.A N ASP 378.A OD2 no hydrogen 2.855 N/A LEU 382.A N ASP 378.A O no hydrogen 3.177 N/A ARG 383.A N GLN 379.A O no hydrogen 2.988 N/A ARG 383.A NH1 ASP 380.A OD1 no hydrogen 2.931 N/A VAL 384.A N ASP 380.A O no hydrogen 2.882 N/A SER 385.A N ASP 381.A O no hydrogen 2.895 N/A SER 385.A OG ASP 381.A O no hydrogen 3.094 N/A LEU 386.A N LEU 382.A O no hydrogen 3.002 N/A THR 387.A N VAL 384.A O no hydrogen 3.203 N/A THR 387.A OG1 ARG 383.A O no hydrogen 2.729 N/A THR 387.A OG1 VAL 384.A O no hydrogen 3.557 N/A THR 388.A N VAL 384.A O no hydrogen 3.073 N/A THR 388.A OG1 VAL 384.A O no hydrogen 2.692 N/A ARG 389.A N VAL 395.A O no hydrogen 2.779 N/A MET 391.A N ILE 393.A O no hydrogen 2.959 N/A ILE 393.A N MET 391.A O no hydrogen 3.288 N/A VAL 395.A N ARG 389.A O no hydrogen 2.798 N/A LEU 397.A N THR 387.A O no hydrogen 2.987 N/A LYS 398.A N GLN 401.A OE1 no hydrogen 2.870 N/A ALA 402.A N LYS 398.A O no hydrogen 2.934 N/A ASN 403.A N VAL 399.A O no hydrogen 2.932 N/A ASN 404.A N GLU 400.A O no hydrogen 3.092 N/A ALA 405.A N GLN 401.A O no hydrogen 3.046 N/A ARG 406.A N ALA 402.A O no hydrogen 3.067 N/A ARG 406.A NE TYR 269.A OH no hydrogen 3.550 N/A ARG 406.A NE ASP 407.A OD1 no hydrogen 3.006 N/A ARG 406.A NH1 ILE 346.A O no hydrogen 2.795 N/A ARG 406.A NH2 ASP 407.A OD1 no hydrogen 3.069 N/A ASP 407.A N ASN 403.A O no hydrogen 3.070 N/A ALA 408.A N ASN 404.A O no hydrogen 2.863 N/A LEU 409.A N ALA 405.A O no hydrogen 2.998 N/A ALA 410.A N ARG 406.A O no hydrogen 2.883 N/A LYS 411.A N ASP 407.A O no hydrogen 2.962 N/A THR 412.A N ALA 408.A O no hydrogen 3.056 N/A THR 412.A OG1 ALA 408.A O no hydrogen 2.908 N/A VAL 413.A N LEU 409.A O no hydrogen 3.033 N/A TYR 414.A N ALA 410.A O no hydrogen 3.002 N/A TYR 414.A OH PHE 188.A O no hydrogen 2.696 N/A SER 415.A N LYS 411.A O no hydrogen 2.892 N/A HIS 416.A N THR 412.A O no hydrogen 2.897 N/A HIS 416.A ND1 LEU 606.A O no hydrogen 2.822 N/A LEU 417.A N VAL 413.A O no hydrogen 2.903 N/A PHE 418.A N TYR 414.A O no hydrogen 2.908 N/A ASP 419.A N SER 415.A O no hydrogen 2.961 N/A HIS 420.A N HIS 416.A O no hydrogen 2.980 N/A HIS 420.A NE2 GLU 329.A OE1 no hydrogen 2.780 N/A VAL 421.A N LEU 417.A O no hydrogen 2.947 N/A VAL 422.A N PHE 418.A O no hydrogen 2.993 N/A ASN 423.A N ASP 419.A O no hydrogen 3.003 N/A ARG 424.A N HIS 420.A O no hydrogen 2.822 N/A ARG 424.A NE GLU 329.A OE2 no hydrogen 2.866 N/A ARG 424.A NH2 ARG 424.A O no hydrogen 2.955 N/A VAL 425.A N VAL 421.A O no hydrogen 2.970 N/A ASN 426.A N VAL 422.A O no hydrogen 3.055 N/A ASN 426.A ND2 VAL 221.A O no hydrogen 3.221 N/A GLN 427.A N ASN 423.A O no hydrogen 2.983 N/A CYS 428.A N VAL 425.A O no hydrogen 3.090 N/A CYS 428.A SG VAL 425.A O no hydrogen 3.099 N/A PHE 429.A N ASN 426.A O no hydrogen 3.461 N/A SER 434.A OG HIS 209.A ND1 no hydrogen 2.798 N/A SER 435.A N PHE 210.A O no hydrogen 2.874 N/A TYR 436.A N PHE 210.A O no hydrogen 3.366 N/A PHE 437.A N SER 140.A OG no hydrogen 2.849 N/A ILE 438.A N ILE 208.A O no hydrogen 2.925 N/A GLY 439.A N GLN 141.A O no hydrogen 2.780 N/A VAL 440.A N VAL 206.A O no hydrogen 2.797 N/A LEU 441.A N ILE 143.A O no hydrogen 2.812 N/A ASP 442.A N LYS 204.A O no hydrogen 2.991 N/A GLU 447.A N ASN 460.A OD1 no hydrogen 2.820 N/A PHE 449.A N ASN 452.A OD1 no hydrogen 2.803 N/A HIS 451.A ND1 GLU 575.A OE1 no hydrogen 2.855 N/A HIS 451.A ND1 GLU 575.A OE2 no hydrogen 3.099 N/A ASN 452.A ND2 PHE 449.A O no hydrogen 3.174 N/A ASN 452.A ND2 CYS 573.A O no hydrogen 2.830 N/A SER 453.A N GLN 456.A OE1 no hydrogen 2.839 N/A SER 453.A OG GLU 455.A OE1 no hydrogen 3.524 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.779 N/A GLN 456.A NE2 GLU 447.A OE1 no hydrogen 2.818 N/A PHE 457.A N SER 453.A O no hydrogen 3.192 N/A CYS 458.A N PHE 454.A O no hydrogen 3.005 N/A CYS 458.A SG PHE 454.A O no hydrogen 3.339 N/A ILE 459.A N GLU 455.A O no hydrogen 3.115 N/A ASN 460.A N GLN 456.A O no hydrogen 2.809 N/A ASN 460.A ND2 GLU 447.A O no hydrogen 2.834 N/A ASN 460.A ND2 TYR 574.A OH no hydrogen 3.025 N/A TYR 461.A N PHE 457.A O no hydrogen 2.949 N/A TYR 461.A OH GLU 505.A OE1 no hydrogen 2.657 N/A CYS 462.A N CYS 458.A O no hydrogen 3.002 N/A ASN 463.A N.A ILE 459.A O no hydrogen 2.908 N/A ASN 463.A N.B ILE 459.A O no hydrogen 2.947 N/A ASN 463.A ND2.B GLU 444.A O no hydrogen 2.953 N/A ASN 463.A ND2.B ILE 459.A O no hydrogen 2.960 N/A GLU 464.A N ASN 460.A O no hydrogen 3.168 N/A LYS 465.A N TYR 461.A O no hydrogen 3.295 N/A LYS 465.A NZ GLU 505.A OE1 no hydrogen 2.779 N/A LYS 465.A NZ GLU 505.A OE2 no hydrogen 3.510 N/A LYS 465.A NZ ASN 623.A OD1 no hydrogen 2.696 N/A LEU 466.A N CYS 462.A O no hydrogen 2.956 N/A GLN 467.A N ASN 463.A O.A no hydrogen 2.746 N/A GLN 467.A N ASN 463.A O.B no hydrogen 2.818 N/A GLN 467.A NE2 ASN 471.A OD1 no hydrogen 2.816 N/A GLN 468.A N GLU 464.A O no hydrogen 3.237 N/A GLN 468.A NE2 ASP 496.A OD1 no hydrogen 3.245 N/A GLN 468.A NE2 GLN 498.A OE1 no hydrogen 2.780 N/A PHE 469.A N LYS 465.A O no hydrogen 3.318 N/A PHE 470.A N LEU 466.A O no hydrogen 3.066 N/A ASN 471.A N GLN 467.A O no hydrogen 2.950 N/A GLU 472.A N GLN 468.A O no hydrogen 2.915 N/A ARG 473.A N PHE 469.A O no hydrogen 2.914 N/A ARG 473.A NE GLU 477.A OE2 no hydrogen 3.115 N/A ARG 473.A NH1 THR 632.A O no hydrogen 2.824 N/A ARG 473.A NH2 LEU 629.A O no hydrogen 3.208 N/A ARG 473.A NH2 THR 632.A O no hydrogen 3.110 N/A ILE 474.A N PHE 470.A O no hydrogen 2.820 N/A LEU 475.A N ASN 471.A O no hydrogen 2.882 N/A LYS 476.A N ASN 471.A O no hydrogen 2.950 N/A GLU 477.A N GLU 472.A O no hydrogen 2.756 N/A GLN 479.A N LEU 475.A O no hydrogen 3.210 N/A GLN 479.A NE2 LEU 475.A O no hydrogen 2.988 N/A GLN 479.A NE2 VAL 492.A O no hydrogen 2.807 N/A GLU 480.A N LYS 476.A O no hydrogen 3.090 N/A LEU 481.A N GLU 477.A O no hydrogen 3.326 N/A TYR 482.A N GLU 478.A O no hydrogen 3.146 N/A GLN 483.A N GLN 479.A O no hydrogen 2.826 N/A LYS 484.A N GLU 480.A O no hydrogen 2.872 N/A GLU 485.A N LEU 481.A O no hydrogen 3.001 N/A GLY 486.A N GLN 483.A O no hydrogen 3.001 N/A LEU 487.A N TYR 482.A O no hydrogen 3.018 N/A VAL 492.A N GLN 479.A OE1 no hydrogen 2.774 N/A ASN 497.A ND2 GLU 464.A O no hydrogen 2.812 N/A ASN 497.A ND2 GLU 464.A OE1 no hydrogen 2.793 N/A GLN 498.A NE2 GLN 498.A O no hydrogen 3.473 N/A GLN 498.A NE2 ASP 502.A OD1 no hydrogen 3.154 N/A CYS 500.A N ASN 497.A O no hydrogen 3.072 N/A ILE 501.A N ASN 497.A O no hydrogen 3.107 N/A ASP 502.A N GLN 498.A O no hydrogen 2.810 N/A LEU 503.A N ASP 499.A O no hydrogen 3.082 N/A ILE 504.A N ILE 501.A O no hydrogen 3.179 N/A GLU 505.A N ILE 501.A O no hydrogen 2.848 N/A ALA 506.A N ASP 502.A O no hydrogen 2.952 N/A LEU 508.A N ASP 513.A OD2 no hydrogen 2.728 N/A VAL 509.A N ARG 507.A O no hydrogen 2.775 N/A GLY 510.A N ALA 506.A O no hydrogen 2.922 N/A ILE 511.A N LEU 503.A O no hydrogen 2.922 N/A LEU 512.A N ILE 504.A O no hydrogen 2.974 N/A ILE 514.A N GLY 510.A O no hydrogen 3.049 N/A LEU 515.A N ILE 511.A O no hydrogen 2.842 N/A ASP 516.A N LEU 512.A O no hydrogen 3.072 N/A GLU 517.A N ASP 513.A O no hydrogen 3.154 N/A GLU 518.A N ILE 514.A O no hydrogen 3.148 N/A ASN 519.A N LEU 515.A O no hydrogen 3.144 N/A ASN 519.A ND2 VAL 580.A O no hydrogen 2.804 N/A ARG 520.A N ASP 516.A O no hydrogen 3.190 N/A ARG 520.A N GLU 517.A O no hydrogen 3.159 N/A LEU 521.A N GLU 517.A O no hydrogen 3.225 N/A LEU 521.A N GLU 518.A O no hydrogen 3.265 N/A SER 525.A N GLU 518.A OE2 no hydrogen 2.825 N/A SER 525.A OG GLN 527.A OE1 no hydrogen 3.349 N/A GLN 527.A N GLN 527.A OE1 no hydrogen 2.895 N/A HIS 528.A N SER 525.A OG no hydrogen 2.816 N/A HIS 528.A ND1 GLU 518.A OE1 no hydrogen 2.732 N/A PHE 529.A N SER 525.A O no hydrogen 3.096 N/A THR 530.A N ASP 526.A O no hydrogen 3.101 N/A THR 530.A OG1 ASP 526.A O no hydrogen 2.655 N/A THR 530.A OG1 ASP 560.A O no hydrogen 3.324 N/A THR 530.A OG1 THR 576.A OG1 no hydrogen 2.666 N/A SER 531.A N GLN 527.A O no hydrogen 3.011 N/A SER 531.A OG GLN 527.A O no hydrogen 3.065 N/A ALA 532.A N HIS 528.A O no hydrogen 3.064 N/A VAL 533.A N PHE 529.A O no hydrogen 3.012 N/A HIS 534.A N THR 530.A O no hydrogen 3.073 N/A HIS 534.A NE2 GLY 562.A O no hydrogen 3.017 N/A GLN 535.A N SER 531.A O no hydrogen 2.877 N/A LYS 536.A N ALA 532.A O no hydrogen 3.011 N/A LYS 536.A N VAL 533.A O no hydrogen 3.289 N/A HIS 537.A N VAL 533.A O no hydrogen 2.970 N/A HIS 537.A NE2 VAL 509.A O no hydrogen 2.707 N/A HIS 540.A N HIS 537.A O no hydrogen 3.059 N/A ARG 542.A N HIS 540.A ND1 no hydrogen 3.119 N/A ARG 542.A NE ASP 499.A OD2 no hydrogen 3.263 N/A ARG 542.A NH1 ARG 566.A O no hydrogen 3.202 N/A ARG 542.A NH2 ASP 499.A OD1 no hydrogen 2.907 N/A LEU 543.A N HIS 540.A O no hydrogen 3.319 N/A SER 544.A N ILE 564.A O no hydrogen 3.285 N/A LYS 548.A N ILE 545.A O no hydrogen 3.185 N/A SER 549.A N PRO 546.A O no hydrogen 3.253 N/A SER 549.A OG HIS 554.A ND1 no hydrogen 2.862 N/A LEU 551.A N SER 549.A OG no hydrogen 3.335 N/A HIS 554.A ND1 SER 549.A OG no hydrogen 2.862 N/A ARG 555.A N ALA 552.A O no hydrogen 3.397 N/A ILE 557.A N HIS 554.A O no hydrogen 3.055 N/A ARG 558.A N GLU 561.A OE1 no hydrogen 3.241 N/A GLU 561.A N ARG 558.A O no hydrogen 2.896 N/A PHE 563.A N TYR 574.A O no hydrogen 3.025 N/A ILE 564.A N SER 544.A O no hydrogen 2.938 N/A ILE 565.A N VAL 572.A O no hydrogen 2.907 N/A ARG 566.A N ARG 542.A O no hydrogen 2.787 N/A HIS 567.A ND1 GLU 464.A OE2 no hydrogen 2.764 N/A HIS 567.A NE2 TYR 574.A OH no hydrogen 2.759 N/A GLY 570.A N HIS 567.A O no hydrogen 2.951 N/A VAL 572.A N ILE 565.A O no hydrogen 2.934 N/A TYR 574.A N PHE 563.A O no hydrogen 2.810 N/A TYR 574.A OH HIS 567.A NE2 no hydrogen 2.759 N/A GLU 575.A N ASN 452.A O no hydrogen 2.974 N/A THR 576.A N GLU 561.A O no hydrogen 3.159 N/A THR 576.A OG1 THR 530.A OG1 no hydrogen 2.666 N/A GLN 578.A N ASP 526.A OD2 no hydrogen 2.765 N/A PHE 579.A N THR 576.A O no hydrogen 3.253 N/A VAL 580.A N ASP 526.A OD1 no hydrogen 3.007 N/A LYS 582.A N GLN 578.A O no hydrogen 2.791 N/A LYS 582.A NZ SER 453.A OG no hydrogen 2.804 N/A LYS 582.A NZ GLU 455.A OE1 no hydrogen 2.884 N/A LYS 582.A NZ GLU 455.A OE2 no hydrogen 3.148 N/A LYS 582.A NZ GLN 578.A OE1 no hydrogen 3.538 N/A ASN 583.A N PHE 579.A O no hydrogen 2.866 N/A ASN 583.A ND2 ASP 516.A OD1 no hydrogen 2.919 N/A ASN 583.A ND2 ASN 519.A OD1 no hydrogen 2.902 N/A ASN 584.A N GLU 581.A O no hydrogen 3.282 N/A ASN 584.A ND2 SER 610.A O no hydrogen 3.072 N/A ASP 585.A N ILE 612.A O no hydrogen 2.813 N/A ALA 586.A N ASN 584.A OD1 no hydrogen 2.841 N/A SER 590.A N HIS 588.A ND1 no hydrogen 3.094 N/A LEU 591.A N HIS 588.A O no hydrogen 3.128 N/A GLU 592.A N HIS 588.A O no hydrogen 2.998 N/A SER 593.A N MET 589.A O no hydrogen 2.841 N/A SER 593.A OG MET 589.A O no hydrogen 3.032 N/A SER 593.A OG SER 590.A O no hydrogen 3.316 N/A LEU 594.A N SER 590.A O no hydrogen 3.234 N/A ILE 595.A N LEU 591.A O no hydrogen 3.092 N/A CYS 596.A N GLU 592.A O no hydrogen 2.832 N/A CYS 596.A SG GLU 592.A O no hydrogen 3.320 N/A GLU 597.A N SER 593.A O no hydrogen 3.006 N/A SER 598.A N ILE 595.A O no hydrogen 3.356 N/A SER 598.A OG LEU 375.A O no hydrogen 2.675 N/A SER 598.A OG GLY 376.A O no hydrogen 3.388 N/A ARG 599.A N GLY 376.A O no hydrogen 2.810 N/A ARG 599.A NH1 LEU 377.A O no hydrogen 3.221 N/A ASP 600.A N SER 598.A OG no hydrogen 3.060 N/A ILE 603.A N ASP 600.A OD2 no hydrogen 2.973 N/A ARG 604.A N ASP 600.A O no hydrogen 3.079 N/A ARG 604.A NH1 SER 598.A O no hydrogen 2.835 N/A ARG 604.A NH1 ARG 599.A O no hydrogen 2.924 N/A GLU 605.A N LYS 601.A O no hydrogen 2.868 N/A LEU 606.A N PHE 602.A O no hydrogen 3.106 N/A LEU 606.A N ILE 603.A O no hydrogen 2.938 N/A PHE 607.A N ARG 604.A O no hydrogen 3.113 N/A GLU 608.A N GLU 605.A O no hydrogen 3.388 N/A SER 610.A OG LEU 587.A O no hydrogen 3.155 N/A ILE 612.A N ASN 584.A OD1 no hydrogen 3.120 N/A SER 613.A OG ASP 516.A OD1 no hydrogen 2.742 N/A SER 613.A OG ASP 516.A OD2 no hydrogen 3.220 N/A VAL 614.A N ASN 583.A O no hydrogen 2.746 N/A GLY 615.A N ASN 583.A OD1 no hydrogen 3.107 N/A ASN 616.A N SER 613.A OG no hydrogen 2.911 N/A ASN 616.A ND2 ASP 513.A OD1 no hydrogen 3.222 N/A ASN 616.A ND2 ASP 516.A OD2 no hydrogen 2.747 N/A LYS 617.A N SER 613.A O no hydrogen 3.096 N/A LYS 617.A NZ ASP 585.A OD2 no hydrogen 3.310 N/A PHE 618.A N VAL 614.A O no hydrogen 3.046 N/A LYS 619.A N GLY 615.A O no hydrogen 2.902 N/A LYS 619.A NZ GLU 505.A O no hydrogen 2.876 N/A THR 620.A N ASN 616.A O no hydrogen 2.970 N/A THR 620.A OG1 ASN 616.A O no hydrogen 3.010 N/A GLN 621.A N LYS 617.A O no hydrogen 3.090 N/A LEU 622.A N PHE 618.A O no hydrogen 2.801 N/A ASN 623.A N LYS 619.A O no hydrogen 2.994 N/A LEU 624.A N THR 620.A O no hydrogen 3.202 N/A LEU 625.A N GLN 621.A O no hydrogen 3.081 N/A LEU 626.A N LEU 622.A O no hydrogen 2.807 N/A ASP 627.A N ASN 623.A O no hydrogen 2.936 N/A LYS 628.A N LEU 624.A O no hydrogen 3.243 N/A LYS 628.A NZ GLU 207.A OE2 no hydrogen 2.796 N/A LEU 629.A N LEU 625.A O no hydrogen 3.002 N/A ARG 630.A N LEU 626.A O no hydrogen 2.930 N/A SER 631.A N ASP 627.A O no hydrogen 3.206 N/A SER 631.A N LYS 628.A O no hydrogen 3.230 N/A SER 631.A OG ASP 627.A O no hydrogen 3.162 N/A SER 631.A OG LYS 628.A O no hydrogen 3.074 N/A THR 632.A N LEU 629.A O no hydrogen 3.414 N/A THR 632.A OG1 SER 142.A OG.A no hydrogen 2.843 N/A THR 632.A OG1 LYS 628.A O no hydrogen 3.122 N/A THR 632.A OG1 LEU 629.A O no hydrogen 3.182 N/A GLY 633.A N SER 140.A O no hydrogen 3.230 N/A SER 635.A N SER 142.A O.A no hydrogen 2.894 N/A SER 635.A N SER 142.A O.B no hydrogen 2.891 N/A ILE 637.A N ILE 144.A O no hydrogen 2.898 N/A ARG 638.A N LEU 90.A O no hydrogen 2.770 N/A CYS 639.A N SER 146.A O no hydrogen 2.738 N/A ILE 640.A N ALA 92.A O no hydrogen 2.775 N/A LYS 641.A N GLN 659.A OE1 no hydrogen 2.900 N/A LYS 641.A NZ SER 149.A O no hydrogen 2.816 N/A ASN 643.A ND2 THR 647.A O no hydrogen 2.837 N/A ASN 643.A ND2 HIS 650.A O no hydrogen 2.956 N/A LYS 645.A N ASN 643.A OD1 no hydrogen 2.853 N/A THR 647.A N ASN 643.A OD1 no hydrogen 3.279 N/A GLU 652.A N PRO 642.A O no hydrogen 2.917 N/A ALA 654.A N THR 9.A O no hydrogen 3.086 N/A ILE 656.A N GLU 652.A O no hydrogen 2.964 N/A LEU 657.A N GLY 653.A O no hydrogen 2.844 N/A SER 658.A N ALA 654.A O no hydrogen 3.024 N/A GLN 659.A N GLN 655.A O no hydrogen 3.258 N/A GLN 659.A NE2 LYS 641.A O no hydrogen 2.827 N/A GLN 659.A NE2 GLN 655.A O no hydrogen 3.140 N/A LEU 660.A N ILE 656.A O no hydrogen 2.898 N/A GLN 661.A N LEU 657.A O no hydrogen 2.936 N/A GLN 661.A NE2 GLU 66.A OE2 no hydrogen 2.819 N/A CYS 662.A N SER 658.A O no hydrogen 2.853 N/A CYS 662.A SG SER 658.A O no hydrogen 3.284 N/A SER 663.A N GLN 659.A O no hydrogen 2.939 N/A SER 663.A OG GLN 659.A O no hydrogen 2.965 N/A SER 663.A OG LEU 660.A O no hydrogen 3.029 N/A GLY 664.A N GLN 661.A O no hydrogen 3.085 N/A MET 665.A N SER 663.A OG no hydrogen 3.143 N/A VAL 666.A N LEU 660.A O no hydrogen 3.168 N/A SER 667.A OG GLY 664.A O no hydrogen 2.950 N/A LEU 669.A N VAL 666.A O no hydrogen 3.253 N/A MET 672.A N VAL 668.A O no hydrogen 2.855 N/A GLN 673.A N LEU 669.A O no hydrogen 2.993 N/A GLN 673.A NE2 CYS 59.A O no hydrogen 3.041 N/A GLN 673.A NE2 LEU 61.A O no hydrogen 3.067 N/A GLY 674.A N ASP 670.A O no hydrogen 2.818 N/A PHE 676.A N TYR 482.A OH no hydrogen 2.850 N/A SER 678.A N PHE 729.A O no hydrogen 3.453 N/A ARG 679.A NH1 GLU 478.A OE1 no hydrogen 2.719 N/A ARG 679.A NH1 GLU 478.A OE2 no hydrogen 3.492 N/A ARG 679.A NH1 PHE 676.A O no hydrogen 2.764 N/A ARG 679.A NH2 GLU 478.A OE2 no hydrogen 2.920 N/A ALA 680.A N VAL 727.A O no hydrogen 3.227 N/A SER 681.A N GLU 684.A OE2 no hydrogen 3.143 N/A PHE 682.A N THR 725.A O no hydrogen 3.097 N/A GLU 684.A N SER 681.A OG no hydrogen 3.052 N/A LEU 685.A N SER 681.A O no hydrogen 3.280 N/A TYR 686.A N PHE 682.A O no hydrogen 2.926 N/A TYR 686.A OH ALA 698.A O no hydrogen 2.621 N/A ASN 687.A N HIS 683.A O no hydrogen 2.930 N/A MET 688.A N GLU 684.A O no hydrogen 3.117 N/A MET 688.A N LEU 685.A O no hydrogen 3.213 N/A TYR 689.A N LEU 685.A O no hydrogen 3.242 N/A TYR 689.A OH ILE 740.A O no hydrogen 2.857 N/A LYS 690.A N TYR 686.A O no hydrogen 2.798 N/A LYS 690.A NZ TYR 686.A OH no hydrogen 3.173 N/A TYR 692.A N TYR 689.A O no hydrogen 2.976 N/A MET 693.A N LYS 690.A O no hydrogen 3.331 N/A LEU 697.A N PRO 694.A O no hydrogen 3.055 N/A ALA 698.A N PRO 694.A O no hydrogen 3.164 N/A ARG 699.A N ASP 695.A O no hydrogen 2.990 N/A ARG 699.A NE ASP 695.A OD2 no hydrogen 2.944 N/A LEU 700.A N LEU 697.A O no hydrogen 3.092 N/A ARG 703.A NH1 GLY 723.A O no hydrogen 3.097 N/A PHE 705.A N ASP 701.A O no hydrogen 2.986 N/A CYS 706.A N PRO 702.A O no hydrogen 3.096 N/A CYS 706.A SG PHE 682.A O no hydrogen 3.997 N/A CYS 706.A SG PRO 702.A O no hydrogen 3.415 N/A LYS 707.A N ARG 703.A O no hydrogen 3.160 N/A ALA 708.A N LEU 704.A O no hydrogen 3.058 N/A LEU 709.A N PHE 705.A O no hydrogen 2.827 N/A PHE 710.A N CYS 706.A O no hydrogen 2.941 N/A LYS 711.A N LYS 707.A O no hydrogen 2.950 N/A ALA 712.A N ALA 708.A O no hydrogen 2.983 N/A LEU 713.A N LEU 709.A O no hydrogen 3.208 N/A GLY 714.A N LYS 711.A O no hydrogen 3.054 N/A LEU 715.A N PHE 710.A O no hydrogen 2.940 N/A LYS 721.A N PHE 728.A O no hydrogen 2.797 N/A GLY 723.A N LYS 726.A O no hydrogen 2.785 N/A LEU 724.A N GLU 485.A O no hydrogen 3.091 N/A THR 725.A N GLU 485.A OE1 no hydrogen 2.870 N/A THR 725.A OG1 GLU 485.A OE2 no hydrogen 2.754 N/A LYS 726.A N GLU 485.A OE1 no hydrogen 3.028 N/A VAL 727.A N ALA 680.A O no hydrogen 2.838 N/A PHE 728.A N LYS 721.A O no hydrogen 2.816 N/A PHE 729.A N SER 678.A O no hydrogen 2.735 N/A ARG 730.A N ASP 719.A O no hydrogen 3.102 N/A ARG 730.A NE ILE 718.A O no hydrogen 2.809 N/A LYS 733.A N ARG 730.A O no hydrogen 3.262 N/A LYS 733.A NZ ASP 719.A OD1 no hydrogen 3.321 N/A GLU 736.A N GLU 736.A OE2 no hydrogen 2.720 N/A PHE 737.A N LYS 733.A O no hydrogen 3.049 N/A ASP 738.A N PHE 734.A O no hydrogen 2.870 N/A GLN 739.A N ALA 735.A O no hydrogen 3.093 N/A ILE 740.A N GLU 736.A O no hydrogen 3.195 N/A MET 741.A N PHE 737.A O no hydrogen 2.996 N/A LYS 742.A N ASP 738.A O no hydrogen 3.007 N/A HIS 747.A N ASP 744.A OD2 no hydrogen 3.316 N/A HIS 747.A NE2 GLN 739.A O no hydrogen 2.747 N/A LEU 748.A N ASP 744.A O no hydrogen 2.846 N/A ALA 749.A N PRO 745.A O no hydrogen 2.951 N/A GLU 750.A N ASP 746.A O no hydrogen 3.091 N/A LEU 751.A N HIS 747.A O no hydrogen 3.099 N/A VAL 752.A N LEU 748.A O no hydrogen 3.201 N/A LYS 753.A N ALA 749.A O no hydrogen 3.045 N/A ARG 754.A N GLU 750.A O no hydrogen 3.056 N/A VAL 755.A N LEU 751.A O no hydrogen 2.948 N/A ASN 756.A N VAL 752.A O no hydrogen 2.846 N/A HIS 757.A N LYS 753.A O no hydrogen 2.972 N/A TRP 758.A N ARG 754.A O no hydrogen 2.969 N/A LEU 759.A N VAL 755.A O no hydrogen 3.058 N/A