Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 SER 2.A O no hydrogen 3.186 N/A GLN 1.A NE2 GLU 4.A OE2 no hydrogen 2.928 N/A GLU 4.A N LEU 16.A O no hydrogen 3.046 N/A TYR 6.A N THR 14.A O no hydrogen 2.699 N/A TYR 6.A OH GLU 4.A OE1 no hydrogen 2.775 N/A TYR 6.A OH GLU 4.A OE2 no hydrogen 2.972 N/A LEU 7.A N GLN 82.A O no hydrogen 2.798 N/A ASP 8.A N MET 12.A O no hydrogen 3.119 N/A GLU 9.A N MET 12.A O no hydrogen 3.297 N/A MET 12.A N GLU 9.A O no hydrogen 3.224 N/A ILE 13.A N CYS 57.A O no hydrogen 2.781 N/A THR 14.A N TYR 6.A O no hydrogen 2.669 N/A THR 14.A OG1 ASP 8.A OD2 no hydrogen 2.404 N/A ILE 15.A N TYR 55.A O no hydrogen 2.797 N/A LEU 16.A N GLU 4.A O no hydrogen 2.772 N/A PHE 17.A N ILE 53.A O no hydrogen 2.739 N/A CYS 19.A N SER 51.A O no hydrogen 2.841 N/A LYS 24.A NZ GLU 75.A OE1 no hydrogen 3.222 N/A PHE 30.A N TYR 72.A O no hydrogen 2.812 N/A LEU 31.A N TYR 39.A O no hydrogen 2.761 N/A ARG 32.A N VAL 70.A O no hydrogen 2.856 N/A ARG 32.A NH2 GLN 78.A OE1 no hydrogen 3.423 N/A ASP 33.A N THR 37.A O no hydrogen 3.065 N/A LYS 35.A N ASP 33.A OD1 no hydrogen 2.765 N/A LYS 35.A NZ TYR 39.A OH no hydrogen 3.127 N/A LYS 36.A N ASP 33.A O no hydrogen 2.782 N/A LYS 36.A N ASP 33.A OD1 no hydrogen 2.878 N/A THR 37.A N ASP 33.A OD1 no hydrogen 2.903 N/A TYR 39.A N LEU 31.A O no hydrogen 2.777 N/A LEU 41.A N PHE 29.A O no hydrogen 2.881 N/A THR 42.A N LEU 58.A O no hydrogen 3.272 N/A ARG 44.A N GLU 56.A O no hydrogen 2.748 N/A ARG 44.A NE GLU 56.A OE1 no hydrogen 3.278 N/A ARG 44.A NH2 GLU 56.A OE1 no hydrogen 2.801 N/A GLU 47.A N LYS 54.A O no hydrogen 2.823 N/A LYS 48.A NZ HIS 49.A O no hydrogen 3.091 N/A HIS 49.A N PHE 52.A O no hydrogen 2.762 N/A ILE 53.A N PHE 17.A O no hydrogen 2.804 N/A LYS 54.A N GLU 47.A O no hydrogen 2.761 N/A TYR 55.A N ILE 15.A O no hydrogen 2.761 N/A GLU 56.A N SER 45.A O no hydrogen 2.826 N/A CYS 57.A N ILE 13.A O no hydrogen 2.849 N/A LEU 58.A N THR 42.A O no hydrogen 2.870 N/A VAL 59.A N THR 11.A O no hydrogen 2.906 N/A VAL 63.A N LEU 10.A O no hydrogen 2.920 N/A GLU 64.A N TYR 69.A OH no hydrogen 3.229 N/A LEU 65.A N TYR 96.A OH no hydrogen 3.019 N/A VAL 70.A N ARG 32.A O no hydrogen 2.998 N/A VAL 71.A N VAL 79.A O no hydrogen 2.592 N/A TYR 72.A N PHE 30.A O no hydrogen 2.927 N/A THR 73.A N TRP 77.A O no hydrogen 2.711 N/A GLY 76.A N THR 73.A O no hydrogen 3.292 N/A VAL 79.A N VAL 71.A O no hydrogen 2.884 N/A LEU 81.A N TYR 69.A O no hydrogen 2.992 N/A GLN 82.A N ALA 5.A O no hydrogen 2.821 N/A GLY 84.A N LEU 7.A O no hydrogen 2.846 N/A ALA 85.A N ASP 8.A OD1 no hydrogen 2.870 N/A VAL 86.A N LEU 7.A O no hydrogen 3.393 N/A ARG 88.A N ALA 85.A O no hydrogen 3.069 N/A ARG 88.A NH1 GLY 354.A O no hydrogen 3.186 N/A THR 89.A N VAL 86.A O no hydrogen 3.200 N/A THR 89.A OG1 VAL 86.A O no hydrogen 2.646 N/A ASP 93.A N THR 89.A O no hydrogen 3.204 N/A ASP 94.A N LYS 90.A O no hydrogen 3.050 N/A LEU 95.A N ALA 91.A O no hydrogen 3.066 N/A TYR 96.A N PHE 92.A O no hydrogen 2.770 N/A TYR 96.A N ASP 93.A O no hydrogen 3.271 N/A ALA 97.A N ASP 93.A O no hydrogen 2.788 N/A TYR 98.A OH ASP 102.A OD1 no hydrogen 2.548 N/A GLY 104.A N LYS 115.A O no hydrogen 2.806 N/A THR 106.A N THR 113.A O no hydrogen 2.786 N/A TYR 107.A OH ASP 156.A OD1 no hydrogen 2.797 N/A GLU 110.A N ASP 108.A OD2 no hydrogen 3.053 N/A LYS 111.A N ASP 108.A O no hydrogen 2.779 N/A THR 112.A N VAL 153.A O no hydrogen 3.021 N/A THR 113.A N THR 106.A O no hydrogen 3.111 N/A THR 113.A OG1 THR 152.A OG1 no hydrogen 3.013 N/A PHE 114.A N TYR 151.A O no hydrogen 2.857 N/A LYS 115.A N GLY 104.A O no hydrogen 2.775 N/A LYS 115.A NZ ASP 102.A OD2 no hydrogen 2.532 N/A VAL 116.A N TRP 149.A O no hydrogen 3.018 N/A TRP 117.A NE1 TYR 96.A O no hydrogen 2.975 N/A ALA 118.A N GLY 147.A O no hydrogen 2.912 N/A ALA 121.A N ALA 118.A O no hydrogen 3.343 N/A THR 122.A N TYR 167.A O no hydrogen 3.040 N/A THR 122.A OG1 ASP 123.A OD2 no hydrogen 2.618 N/A LEU 125.A N MET 165.A O no hydrogen 2.738 N/A LEU 126.A N TYR 139.A O no hydrogen 2.826 N/A LYS 127.A N THR 163.A O no hydrogen 2.824 N/A LYS 127.A NZ GLU 174.A OE1 no hydrogen 3.287 N/A LYS 127.A NZ GLU 174.A OE2 no hydrogen 2.622 N/A LEU 128.A N THR 137.A O no hydrogen 3.022 N/A ILE 129.A N LEU 161.A O no hydrogen 2.850 N/A HIS 130.A N GLU 135.A O no hydrogen 2.831 N/A THR 132.A OG1 HIS 130.A NE2 no hydrogen 2.809 N/A LYS 134.A N HIS 130.A O no hydrogen 3.011 N/A GLU 135.A N THR 133.A OG1 no hydrogen 3.013 N/A THR 137.A N LEU 128.A O no hydrogen 3.064 N/A THR 137.A OG1 TYR 139.A OH no hydrogen 3.067 N/A TYR 139.A N LEU 126.A O no hydrogen 2.813 N/A TYR 139.A OH THR 137.A OG1 no hydrogen 3.067 N/A MET 141.A N VAL 124.A O no hydrogen 3.014 N/A THR 142.A N THR 150.A O no hydrogen 3.006 N/A ARG 143.A NH1 PRO 119.A O no hydrogen 3.078 N/A ARG 143.A NH2 PRO 119.A O no hydrogen 2.794 N/A GLU 144.A N LEU 148.A O no hydrogen 2.860 N/A LYS 146.A NZ LEU 95.A O no hydrogen 3.120 N/A LEU 148.A N LYS 145.A O no hydrogen 3.299 N/A TRP 149.A N VAL 116.A O no hydrogen 2.707 N/A TRP 149.A NE1 ALA 118.A O no hydrogen 2.802 N/A THR 150.A N THR 142.A O no hydrogen 2.924 N/A THR 150.A OG1 GLU 144.A OE2 no hydrogen 3.251 N/A TYR 151.A N PHE 114.A O no hydrogen 3.168 N/A THR 152.A OG1 THR 113.A OG1 no hydrogen 3.013 N/A VAL 153.A N THR 112.A O no hydrogen 2.915 N/A ASP 156.A N ASP 155.A OD1 no hydrogen 2.906 N/A GLU 158.A N ASP 156.A OD1 no hydrogen 3.283 N/A ARG 159.A N VAL 192.A O no hydrogen 2.806 N/A PHE 160.A N VAL 157.A O no hydrogen 2.993 N/A LEU 161.A N ILE 129.A O no hydrogen 3.078 N/A TYR 162.A N GLY 190.A O no hydrogen 2.743 N/A TYR 162.A OH ASP 177.A OD2 no hydrogen 2.842 N/A THR 163.A N LYS 127.A O no hydrogen 3.053 N/A THR 163.A OG1 GLU 174.A OE2 no hydrogen 2.505 N/A TYR 164.A N ALA 175.A O no hydrogen 2.930 N/A TYR 164.A OH ASP 177.A OD2 no hydrogen 2.924 N/A MET 165.A N LEU 125.A O no hydrogen 2.763 N/A THR 166.A N ARG 173.A O no hydrogen 2.765 N/A THR 166.A OG1 HIS 350.A O no hydrogen 2.609 N/A TYR 167.A N ASP 123.A O no hydrogen 2.961 N/A VAL 168.A N ILE 171.A O no hydrogen 3.339 N/A ILE 171.A N VAL 168.A O no hydrogen 3.381 N/A ARG 173.A N THR 166.A O no hydrogen 2.914 N/A ARG 173.A NH1 VAL 168.A O no hydrogen 3.044 N/A ALA 175.A N TYR 164.A O no hydrogen 2.860 N/A TYR 179.A N ASP 177.A OD1 no hydrogen 2.669 N/A TYR 179.A OH ASP 388.A OD2 no hydrogen 2.684 N/A ALA 180.A N ASP 177.A O no hydrogen 2.994 N/A LYS 181.A NZ TYR 179.A O no hydrogen 2.893 N/A SER 182.A OG PRO 310.A O no hydrogen 2.769 N/A SER 184.A N TYR 189.A O no hydrogen 2.873 N/A SER 184.A OG TYR 189.A O no hydrogen 3.372 N/A ASN 186.A N GLU 280.A OE1 no hydrogen 2.826 N/A ASN 186.A ND2 ASP 279.A OD1 no hydrogen 3.339 N/A GLY 187.A N SER 184.A O no hydrogen 2.991 N/A TYR 189.A N SER 184.A OG no hydrogen 2.847 N/A GLY 190.A N TYR 162.A O no hydrogen 3.021 N/A VAL 191.A N SER 182.A O no hydrogen 3.052 N/A VAL 192.A N PHE 160.A O no hydrogen 3.006 N/A ASP 194.A N TYR 311.A OH no hydrogen 2.629 N/A ALA 196.A N ASP 194.A OD1 no hydrogen 2.997 N/A LYS 197.A N ASP 194.A O no hydrogen 2.989 N/A LYS 197.A NZ ASP 194.A OD2 no hydrogen 3.444 N/A THR 198.A N LEU 195.A O no hydrogen 2.657 N/A THR 198.A OG1 LEU 195.A O no hydrogen 2.580 N/A THR 198.A OG1 GLU 396.A OE2 no hydrogen 3.564 N/A LYS 202.A NZ GLY 398.A O no hydrogen 3.011 N/A LYS 202.A NZ ASP 400.A OD1 no hydrogen 2.744 N/A SER 210.A OG THR 212.A OG1 no hydrogen 2.848 N/A THR 212.A N SER 210.A OG no hydrogen 3.064 N/A THR 212.A OG1 SER 210.A OG no hydrogen 2.848 N/A THR 212.A OG1 ARG 613.A O no hydrogen 2.870 N/A ASP 213.A N SER 210.A O no hydrogen 3.003 N/A ALA 214.A N MET 211.A O no hydrogen 3.208 N/A ILE 215.A N THR 265.A OG1 no hydrogen 2.687 N/A ILE 216.A N PRO 556.A O no hydrogen 2.939 N/A TYR 217.A N HIS 266.A O no hydrogen 2.730 N/A TYR 217.A OH GLU 563.A OE2 no hydrogen 2.708 N/A GLU 218.A N LEU 558.A O no hydrogen 3.045 N/A MET 219.A N GLN 268.A O no hydrogen 2.849 N/A ARG 222.A NE ASP 579.A OD1 no hydrogen 2.896 N/A ARG 222.A NE ASP 579.A OD2 no hydrogen 3.349 N/A ARG 222.A NH1 PRO 283.A O no hydrogen 2.731 N/A ARG 222.A NH1 MET 286.A O no hydrogen 2.889 N/A ARG 222.A NH2 PRO 283.A O no hydrogen 3.344 N/A ARG 222.A NH2 MET 286.A O no hydrogen 3.088 N/A ARG 222.A NH2 ASP 579.A OD2 no hydrogen 2.836 N/A PHE 224.A N HIS 220.A O no hydrogen 3.184 N/A THR 225.A N ARG 222.A O no hydrogen 3.257 N/A ILE 226.A N ARG 222.A O no hydrogen 3.051 N/A GLU 229.A N HIS 227.A ND1 no hydrogen 3.176 N/A SER 230.A N HIS 227.A O no hydrogen 2.968 N/A SER 230.A OG THR 225.A O no hydrogen 2.764 N/A SER 230.A OG HIS 227.A O no hydrogen 3.274 N/A VAL 232.A N SER 230.A OG no hydrogen 3.188 N/A ARG 233.A N GLU 243.A OE1 no hydrogen 2.701 N/A GLN 234.A N GLU 243.A OE2 no hydrogen 3.060 N/A LYS 235.A NZ VAL 232.A O no hydrogen 2.682 N/A GLY 236.A N THR 225.A OG1 no hydrogen 2.831 N/A LYS 237.A N GLN 234.A O no hydrogen 3.201 N/A LYS 237.A NZ SER 302.A O no hydrogen 3.000 N/A LYS 237.A NZ ALA 304.A O no hydrogen 3.278 N/A TYR 238.A N TYR 303.A O no hydrogen 2.939 N/A TYR 238.A OH GLU 300.A O no hydrogen 2.903 N/A GLY 240.A N LYS 237.A O no hydrogen 2.989 N/A LEU 241.A N TYR 238.A O no hydrogen 3.145 N/A THR 242.A N VAL 239.A O no hydrogen 2.935 N/A THR 242.A OG1 VAL 239.A O no hydrogen 2.625 N/A ARG 244.A NE GLU 327.A OE2 no hydrogen 3.042 N/A ARG 244.A NH1 THR 242.A O no hydrogen 2.986 N/A GLY 245.A N SER 257.A OG no hydrogen 2.978 N/A THR 246.A OG1 THR 254.A O no hydrogen 2.793 N/A THR 246.A OG1 THR 254.A OG1 no hydrogen 2.989 N/A GLY 248.A N THR 252.A O no hydrogen 2.591 N/A GLY 251.A N GLY 248.A O no hydrogen 2.767 N/A THR 252.A N PRO 249.A O no hydrogen 3.274 N/A THR 252.A OG1 GLU 593.A OE1 no hydrogen 2.684 N/A THR 254.A N THR 246.A O no hydrogen 3.071 N/A THR 254.A OG1 SER 230.A O no hydrogen 2.618 N/A THR 254.A OG1 THR 246.A OG1 no hydrogen 2.989 N/A TYR 258.A N THR 254.A O no hydrogen 3.302 N/A TYR 258.A OH GLU 563.A OE2 no hydrogen 2.712 N/A ILE 259.A N GLY 255.A O no hydrogen 3.120 N/A LYS 260.A N LEU 256.A O no hydrogen 2.811 N/A LYS 260.A NZ GLU 327.A OE1 no hydrogen 2.738 N/A GLN 261.A N SER 257.A O no hydrogen 2.897 N/A LEU 262.A N TYR 258.A O no hydrogen 2.723 N/A GLY 263.A N ILE 259.A O no hydrogen 3.374 N/A THR 265.A N ILE 215.A O no hydrogen 2.890 N/A THR 265.A OG1 ILE 215.A O no hydrogen 3.202 N/A THR 265.A OG1 HIS 266.A ND1 no hydrogen 2.672 N/A HIS 266.A N ILE 215.A O no hydrogen 3.114 N/A HIS 266.A ND1 THR 265.A OG1 no hydrogen 2.672 N/A VAL 267.A N ARG 330.A O no hydrogen 2.871 N/A GLN 268.A N TYR 217.A O no hydrogen 2.816 N/A LEU 269.A N ILE 332.A O no hydrogen 2.891 N/A MET 270.A N MET 219.A O no hydrogen 3.118 N/A GLN 273.A NE2 VAL 336.A O no hydrogen 3.650 N/A ASP 274.A N ALA 298.A O no hydrogen 2.879 N/A PHE 275.A N GLU 300.A OE1 no hydrogen 3.201 N/A GLU 276.A N ASN 292.A O no hydrogen 2.929 N/A GLU 280.A N ASN 186.A OD1 no hydrogen 2.872 N/A LEU 281.A N ASP 279.A OD1 no hydrogen 2.873 N/A LYS 285.A N GLN 282.A O no hydrogen 3.182 N/A TYR 287.A OH ASP 223.A OD1 no hydrogen 2.538 N/A TYR 287.A OH ASP 223.A OD2 no hydrogen 3.158 N/A TRP 289.A N TYR 575.A O no hydrogen 2.751 N/A GLY 290.A N ASN 288.A OD1 no hydrogen 3.138 N/A TYR 291.A OH ASP 334.A OD2 no hydrogen 2.682 N/A ASN 292.A ND2 GLU 276.A O no hydrogen 2.922 N/A VAL 294.A N ASP 274.A O no hydrogen 2.754 N/A HIS 295.A N ASP 274.A O no hydrogen 3.154 N/A HIS 295.A NE2 GLY 187.A O no hydrogen 2.885 N/A TYR 296.A OH HIS 339.A O no hydrogen 2.665 N/A GLU 300.A N VAL 272.A O no hydrogen 2.556 N/A GLY 301.A N GLU 280.A OE2 no hydrogen 2.918 N/A SER 302.A N GLU 300.A OE2 no hydrogen 2.802 N/A SER 302.A OG GLU 300.A OE2 no hydrogen 2.729 N/A TYR 303.A OH HIS 220.A NE2 no hydrogen 2.955 N/A ALA 304.A N GLY 301.A O no hydrogen 3.026 N/A THR 305.A N GLU 316.A OE1 no hydrogen 2.824 N/A THR 305.A OG1 GLU 316.A OE1 no hydrogen 3.412 N/A THR 305.A OG1 GLU 316.A OE2 no hydrogen 2.483 N/A ASP 308.A N ASP 306.A OD1 no hydrogen 3.029 N/A ASP 309.A N ASP 306.A O no hydrogen 3.297 N/A TYR 311.A N ASP 309.A OD2 no hydrogen 3.005 N/A TYR 311.A OH GLU 158.A OE2 no hydrogen 2.877 N/A ALA 312.A N ASP 309.A O no hydrogen 3.147 N/A ARG 313.A NH1 PRO 299.A O no hydrogen 2.906 N/A ARG 313.A NH2 GLU 280.A OE1 no hydrogen 3.110 N/A ARG 313.A NH2 PRO 307.A O no hydrogen 2.940 N/A ILE 315.A N TYR 311.A O no hydrogen 2.971 N/A GLU 316.A N ALA 312.A O no hydrogen 2.736 N/A LEU 317.A N ARG 313.A O no hydrogen 3.245 N/A LYS 318.A N ILE 314.A O no hydrogen 3.038 N/A LYS 318.A NZ THR 198.A O no hydrogen 3.237 N/A LYS 318.A NZ THR 198.A OG1 no hydrogen 3.169 N/A LYS 318.A NZ GLU 396.A O no hydrogen 2.987 N/A LYS 318.A NZ GLU 396.A OE2 no hydrogen 2.694 N/A ARG 319.A N ILE 315.A O no hydrogen 2.833 N/A ALA 320.A N GLU 316.A O no hydrogen 3.001 N/A ILE 321.A N LEU 317.A O no hydrogen 2.960 N/A ARG 322.A N LYS 318.A O no hydrogen 2.741 N/A ARG 322.A NE ILE 200.A O no hydrogen 2.818 N/A ARG 322.A NH1 GLN 325.A OE1 no hydrogen 3.025 N/A ARG 322.A NH1 TYR 397.A O no hydrogen 2.876 N/A ARG 322.A NH2 ILE 200.A O no hydrogen 3.119 N/A ARG 322.A NH2 TYR 397.A O no hydrogen 3.395 N/A ALA 323.A N ARG 319.A O no hydrogen 2.815 N/A PHE 324.A N ALA 320.A O no hydrogen 3.183 N/A GLN 325.A N ILE 321.A O no hydrogen 3.090 N/A GLN 325.A NE2 GLY 398.A O no hydrogen 2.772 N/A GLN 325.A NE2 ASP 400.A OD2 no hydrogen 3.104 N/A GLN 326.A N ARG 322.A O no hydrogen 2.803 N/A GLU 327.A N PHE 324.A O no hydrogen 2.927 N/A GLY 328.A N GLN 325.A O no hydrogen 2.898 N/A ILE 329.A N PHE 324.A O no hydrogen 2.899 N/A ARG 330.A N THR 265.A O no hydrogen 2.959 N/A ARG 330.A NH2 SER 206.A O no hydrogen 2.799 N/A VAL 331.A N ASP 400.A OD2 no hydrogen 2.920 N/A ILE 332.A N VAL 267.A O no hydrogen 2.910 N/A LEU 333.A N GLY 401.A O no hydrogen 2.908 N/A ASP 334.A N LEU 269.A O no hydrogen 3.001 N/A VAL 335.A N ARG 403.A O no hydrogen 2.914 N/A TYR 337.A OH SER 389.A OG no hydrogen 2.707 N/A HIS 339.A ND1 VAL 340.A O no hydrogen 3.190 N/A TYR 341.A N THR 293.A O no hydrogen 2.884 N/A GLU 344.A N GLU 344.A OE1 no hydrogen 2.643 N/A THR 345.A N VAL 342.A O no hydrogen 3.264 N/A SER 346.A N ARG 343.A O no hydrogen 3.130 N/A SER 346.A OG ARG 343.A O no hydrogen 2.869 N/A SER 347.A OG VAL 176.A O no hydrogen 2.855 N/A GLU 349.A N SER 346.A OG no hydrogen 3.097 N/A HIS 350.A N SER 346.A O no hydrogen 2.954 N/A HIS 350.A ND1 GLU 174.A O no hydrogen 2.820 N/A LEU 351.A N SER 347.A O no hydrogen 2.817 N/A LEU 351.A N PHE 348.A O no hydrogen 3.183 N/A VAL 352.A N PHE 348.A O no hydrogen 2.857 N/A GLY 354.A N GLU 349.A OE1 no hydrogen 3.097 N/A GLY 354.A N GLU 349.A OE2 no hydrogen 3.303 N/A TYR 355.A N VAL 352.A O no hydrogen 3.203 N/A TYR 355.A OH ASP 93.A OD1 no hydrogen 2.683 N/A ARG 358.A N ASP 374.A O no hydrogen 2.942 N/A ARG 358.A NE GLU 378.A OE1 no hydrogen 2.948 N/A ARG 358.A NE GLU 378.A OE2 no hydrogen 3.372 N/A ARG 358.A NH1 ILE 409.A O no hydrogen 2.866 N/A ARG 358.A NH1 THR 440.A OG1 no hydrogen 2.983 N/A ARG 358.A NH2 GLU 378.A OE1 no hydrogen 2.872 N/A ARG 358.A NH2 ILE 409.A O no hydrogen 3.089 N/A GLU 360.A N TYR 364.A O no hydrogen 2.697 N/A GLY 363.A N GLU 360.A O no hydrogen 2.868 N/A TYR 364.A N ASN 362.A OD1 no hydrogen 2.798 N/A SER 366.A N ARG 358.A O no hydrogen 2.809 N/A SER 366.A OG ARG 358.A O no hydrogen 3.261 N/A SER 366.A OG ASP 374.A OD2 no hydrogen 2.514 N/A GLY 368.A N ASP 374.A OD2 no hydrogen 2.903 N/A THR 369.A N ASP 374.A OD1 no hydrogen 2.857 N/A THR 369.A OG1 ASN 373.A O no hydrogen 2.794 N/A THR 369.A OG1 ASP 374.A OD1 no hydrogen 3.366 N/A GLY 370.A N ASN 367.A O no hydrogen 3.198 N/A VAL 371.A N THR 369.A OG1 no hydrogen 3.077 N/A GLY 372.A N ASN 367.A OD1 no hydrogen 2.680 N/A ASN 373.A ND2 VAL 340.A O no hydrogen 3.570 N/A LEU 375.A N ASN 338.A O no hydrogen 2.935 N/A ALA 376.A N TYR 356.A O no hydrogen 2.854 N/A SER 377.A N LEU 375.A O no hydrogen 2.970 N/A SER 377.A OG ASP 411.A OD1 no hydrogen 2.735 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.544 N/A ARG 379.A N ALA 376.A O no hydrogen 3.033 N/A ARG 379.A NH1 TYR 355.A O no hydrogen 2.914 N/A ARG 379.A NH1 PHE 357.A O no hydrogen 2.809 N/A LYS 380.A N ASP 93.A OD2 no hydrogen 2.900 N/A LYS 380.A NZ ASP 94.A OD1 no hydrogen 3.276 N/A MET 381.A N TYR 355.A OH no hydrogen 2.859 N/A VAL 382.A N ARG 379.A O no hydrogen 2.944 N/A LYS 383.A N ARG 379.A O no hydrogen 2.906 N/A LYS 383.A NZ THR 414.A OG1 no hydrogen 3.169 N/A LYS 384.A N LYS 380.A O no hydrogen 2.868 N/A LYS 384.A NZ GLY 100.A O no hydrogen 2.908 N/A LYS 384.A NZ ASP 388.A OD2 no hydrogen 2.892 N/A PHE 385.A N MET 381.A O no hydrogen 2.871 N/A ILE 386.A N VAL 382.A O no hydrogen 2.864 N/A ILE 387.A N LYS 383.A O no hydrogen 2.975 N/A ASP 388.A N LYS 384.A O no hydrogen 2.862 N/A SER 389.A N PHE 385.A O no hydrogen 2.936 N/A SER 389.A OG TYR 296.A O no hydrogen 3.468 N/A SER 389.A OG TYR 337.A OH no hydrogen 2.707 N/A VAL 390.A N ILE 386.A O no hydrogen 3.006 N/A THR 391.A N ILE 387.A O no hydrogen 3.040 N/A THR 391.A OG1 ILE 387.A O no hydrogen 2.914 N/A THR 391.A OG1 ASP 388.A O no hydrogen 2.975 N/A TYR 392.A N ASP 388.A O no hydrogen 2.888 N/A TRP 393.A N SER 389.A O no hydrogen 2.894 N/A TRP 393.A NE1 TYR 296.A O no hydrogen 2.811 N/A LEU 394.A N VAL 390.A O no hydrogen 3.024 N/A LYS 395.A N THR 391.A O no hydrogen 2.733 N/A GLU 396.A N TYR 392.A O no hydrogen 2.724 N/A TYR 397.A N TRP 393.A O no hydrogen 3.007 N/A GLY 398.A N LEU 394.A O no hydrogen 2.922 N/A ASP 400.A N VAL 331.A O no hydrogen 2.693 N/A PHE 402.A N ILE 430.A O no hydrogen 2.995 N/A ARG 403.A N LEU 333.A O no hydrogen 2.774 N/A ARG 403.A NH1 ASP 334.A OD1 no hydrogen 3.041 N/A ARG 403.A NH1 ASP 405.A OD1 no hydrogen 3.052 N/A PHE 404.A N LEU 432.A O no hydrogen 2.728 N/A ASP 405.A N VAL 335.A O no hydrogen 3.171 N/A LEU 406.A N GLU 434.A OE2 no hydrogen 2.723 N/A GLY 408.A N GLU 434.A O no hydrogen 2.954 N/A ILE 409.A N LEU 406.A O no hydrogen 2.992 N/A LEU 410.A N MET 407.A O no hydrogen 2.782 N/A ASP 411.A N SER 377.A OG no hydrogen 2.985 N/A ILE 412.A N LYS 446.A O no hydrogen 2.726 N/A THR 414.A N ASP 411.A OD2 no hydrogen 2.808 N/A THR 414.A OG1 SER 377.A O no hydrogen 3.200 N/A THR 414.A OG1 ASP 411.A OD1 no hydrogen 2.492 N/A THR 414.A OG1 ASP 411.A OD2 no hydrogen 3.237 N/A MET 415.A N ASP 411.A O no hydrogen 2.994 N/A ASN 416.A N ILE 412.A O no hydrogen 2.878 N/A ASP 417.A N ASP 413.A O no hydrogen 2.871 N/A VAL 418.A N THR 414.A O no hydrogen 2.861 N/A ARG 419.A N MET 415.A O no hydrogen 3.027 N/A ARG 419.A NE ARG 419.A O no hydrogen 3.460 N/A ARG 419.A NH1 ASP 423.A OD1 no hydrogen 2.866 N/A ARG 419.A NH1 VAL 429.A O no hydrogen 2.856 N/A ARG 419.A NH2 VAL 429.A O no hydrogen 3.370 N/A ARG 419.A NH2 ARG 458.A O no hydrogen 2.828 N/A ARG 420.A N ASN 416.A O no hydrogen 2.939 N/A ARG 420.A NH2 ASP 417.A OD1 no hydrogen 2.862 N/A ALA 421.A N ASP 417.A O no hydrogen 2.796 N/A ILE 422.A N VAL 418.A O no hydrogen 2.923 N/A ASP 423.A N ARG 419.A O no hydrogen 2.848 N/A GLU 424.A N ARG 420.A O no hydrogen 3.317 N/A ILE 425.A N ILE 422.A O no hydrogen 2.795 N/A ASP 426.A N ILE 422.A O no hydrogen 2.712 N/A THR 428.A N ASP 426.A OD1 no hydrogen 3.024 N/A THR 428.A OG1 ASP 426.A OD1 no hydrogen 2.687 N/A THR 428.A OG1 ASP 426.A OD2 no hydrogen 3.485 N/A VAL 429.A N ASP 426.A O no hydrogen 3.134 N/A ILE 430.A N ASP 400.A O no hydrogen 3.114 N/A LEU 432.A N PHE 402.A O no hydrogen 3.017 N/A GLY 433.A N ALA 460.A O no hydrogen 3.146 N/A GLU 434.A N PHE 404.A O no hydrogen 3.245 N/A TRP 436.A NE1 GLU 434.A OE1 no hydrogen 2.933 N/A THR 440.A N LEU 438.A O no hydrogen 2.810 N/A THR 440.A OG1 ASP 374.A OD2 no hydrogen 2.649 N/A LEU 442.A N THR 440.A O no hydrogen 2.735 N/A GLU 445.A N GLU 445.A OE1 no hydrogen 2.879 N/A LYS 446.A N PRO 443.A O no hydrogen 2.794 N/A LYS 446.A NZ ASP 413.A OD2 no hydrogen 2.805 N/A LYS 447.A NZ ASP 437.A OD1 no hydrogen 3.300 N/A LYS 447.A NZ LEU 438.A O no hydrogen 2.724 N/A THR 448.A N LEU 410.A O no hydrogen 3.239 N/A THR 448.A OG1 LEU 410.A O no hydrogen 2.770 N/A THR 449.A N LYS 447.A O no hydrogen 2.899 N/A ILE 450.A N GLY 435.A O no hydrogen 3.169 N/A ASN 452.A N THR 449.A O no hydrogen 3.183 N/A ASN 452.A ND2 SER 444.A O no hydrogen 2.774 N/A ASN 452.A ND2 LYS 447.A O no hydrogen 2.964 N/A ALA 453.A N ILE 450.A O no hydrogen 3.094 N/A HIS 455.A N ASN 452.A O no hydrogen 2.787 N/A THR 456.A N ALA 453.A O no hydrogen 3.022 N/A THR 456.A OG1 TYR 461.A OH no hydrogen 2.397 N/A ARG 458.A NH1 PRO 427.A O no hydrogen 3.258 N/A ILE 459.A N THR 456.A O no hydrogen 3.163 N/A ALA 460.A N ILE 431.A O no hydrogen 2.925 N/A TYR 461.A N GLN 509.A O no hydrogen 2.685 N/A TYR 461.A OH THR 456.A OG1 no hydrogen 2.397 N/A PHE 462.A N GLY 433.A O no hydrogen 3.152 N/A ASN 463.A N VAL 511.A O no hydrogen 2.773 N/A ASN 463.A ND2 SER 500.A OG no hydrogen 3.025 N/A ASN 463.A ND2 SER 510.A OG no hydrogen 2.895 N/A ARG 465.A N ASN 463.A OD1 no hydrogen 2.893 N/A ARG 465.A NH1 ASP 464.A OD1 no hydrogen 2.896 N/A PHE 466.A N ASN 463.A OD1 no hydrogen 3.018 N/A ARG 467.A N ASN 463.A O no hydrogen 3.229 N/A ARG 467.A NE ASP 468.A OD1 no hydrogen 2.957 N/A ARG 467.A NH1 TYR 513.A OH no hydrogen 2.979 N/A ARG 467.A NH2 ASP 468.A OD1 no hydrogen 3.325 N/A ARG 467.A NH2 ASP 468.A OD2 no hydrogen 2.853 N/A ASP 468.A N ASP 464.A O no hydrogen 3.044 N/A TYR 469.A N ARG 465.A O no hydrogen 2.870 N/A VAL 470.A N PHE 466.A O no hydrogen 3.112 N/A LYS 471.A N ARG 467.A O no hydrogen 2.929 N/A LYS 471.A NZ THR 474.A OG1 no hydrogen 2.985 N/A SER 473.A N GLU 479.A OE1 no hydrogen 2.776 N/A PHE 475.A N SER 473.A OG no hydrogen 3.076 N/A ASP 476.A N SER 473.A OG no hydrogen 2.802 N/A HIS 478.A N ASP 476.A OD1 no hydrogen 3.299 N/A GLU 479.A N ASP 476.A O no hydrogen 2.904 N/A ARG 480.A NE ALA 529.A O no hydrogen 3.315 N/A ARG 480.A NH2 ALA 529.A O no hydrogen 3.344 N/A GLY 481.A N LYS 471.A O no hydrogen 3.104 N/A PHE 482.A N TYR 469.A O no hydrogen 3.041 N/A ALA 483.A N VAL 470.A O no hydrogen 2.923 N/A LEU 484.A N GLY 481.A O no hydrogen 2.733 N/A GLY 485.A N PHE 482.A O no hydrogen 3.117 N/A ASP 486.A N GLY 481.A O no hydrogen 3.325 N/A CYS 487.A SG GLY 485.A O no hydrogen 4.002 N/A CYS 487.A SG ASN 656.A OD1 no hydrogen 3.755 N/A SER 488.A N ASP 486.A OD1 no hydrogen 2.558 N/A SER 488.A OG ASP 486.A OD1 no hydrogen 2.347 N/A TYR 489.A OH GLU 479.A OE2 no hydrogen 2.438 N/A LYS 490.A N CYS 487.A O no hydrogen 3.043 N/A LYS 490.A NZ HIS 630.A O no hydrogen 3.155 N/A LYS 490.A NZ VAL 633.A O no hydrogen 3.224 N/A VAL 493.A N TYR 489.A O no hydrogen 2.807 N/A ILE 494.A N LYS 490.A O no hydrogen 2.955 N/A GLY 495.A N GLU 491.A O no hydrogen 2.966 N/A ALA 496.A N ALA 492.A O no hydrogen 3.040 N/A ILE 497.A N VAL 493.A O no hydrogen 2.877 N/A ARG 498.A N ILE 494.A O no hydrogen 3.093 N/A GLY 499.A N ALA 496.A O no hydrogen 2.842 N/A SER 500.A N GLY 495.A O no hydrogen 2.911 N/A LEU 503.A N SER 500.A O no hydrogen 2.873 N/A PHE 504.A N SER 500.A O no hydrogen 3.051 N/A ARG 508.A N SER 506.A OG no hydrogen 3.302 N/A ARG 508.A NH1 LEU 615.A O no hydrogen 3.266 N/A GLN 509.A N SER 506.A O no hydrogen 3.524 N/A SER 510.A N PRO 507.A O no hydrogen 2.966 N/A SER 510.A OG ASN 512.A OD1 no hydrogen 2.665 N/A VAL 511.A N TYR 461.A O no hydrogen 2.977 N/A ASN 512.A N ILE 555.A O no hydrogen 2.897 N/A ASN 512.A ND2 GLN 553.A O no hydrogen 2.721 N/A CYS 516.A SG ASP 518.A O no hydrogen 3.872 N/A HIS 517.A N GLU 218.A OE1 no hydrogen 2.913 N/A HIS 517.A ND1 GLU 218.A OE2 no hydrogen 2.649 N/A THR 521.A OG1 ARG 566.A O no hydrogen 3.053 N/A LEU 522.A N GLU 515.A OE1 no hydrogen 2.668 N/A ASP 524.A N THR 521.A OG1 no hydrogen 3.076 N/A LYS 525.A N THR 521.A O no hydrogen 3.120 N/A LYS 525.A NZ SER 473.A O no hydrogen 2.812 N/A LYS 525.A NZ ILE 477.A O no hydrogen 2.891 N/A LYS 525.A NZ GLU 479.A O no hydrogen 2.504 N/A MET 526.A N LEU 522.A O no hydrogen 2.987 N/A ALA 527.A N TRP 523.A O no hydrogen 2.856 N/A VAL 528.A N LYS 525.A O no hydrogen 3.283 N/A ALA 529.A N LYS 525.A O no hydrogen 2.820 N/A ASN 530.A N MET 526.A O no hydrogen 2.680 N/A ASN 530.A ND2 LEU 484.A O no hydrogen 2.806 N/A ASN 530.A ND2 GLU 533.A OE2 no hydrogen 3.250 N/A ALA 531.A N VAL 528.A O no hydrogen 3.406 N/A GLU 533.A N ASN 530.A O no hydrogen 3.091 N/A ILE 537.A N SER 534.A OG no hydrogen 3.200 N/A ARG 538.A N SER 534.A O no hydrogen 2.968 N/A ARG 538.A NE GLU 533.A O no hydrogen 2.939 N/A ARG 538.A NH2 GLU 533.A O no hydrogen 3.000 N/A ARG 539.A N GLU 535.A O no hydrogen 2.768 N/A LYS 540.A N TYR 536.A O no hydrogen 3.144 N/A LYS 540.A NZ TYR 536.A OH no hydrogen 3.140 N/A LYS 540.A NZ GLU 658.A OE2 no hydrogen 3.299 N/A ARG 541.A N ILE 537.A O no hydrogen 3.250 N/A ARG 541.A NE GLU 533.A OE2 no hydrogen 2.711 N/A ARG 541.A NH1 ALA 483.A O no hydrogen 3.174 N/A ARG 541.A NH1 ASN 656.A O no hydrogen 2.743 N/A ARG 541.A NH2 GLU 533.A OE1 no hydrogen 2.596 N/A ARG 541.A NH2 GLU 533.A OE2 no hydrogen 3.530 N/A GLN 542.A N ARG 538.A O no hydrogen 2.850 N/A LYS 543.A N ARG 539.A O no hydrogen 2.886 N/A LYS 543.A NZ ASP 595.A OD2 no hydrogen 2.564 N/A LYS 543.A NZ GLU 598.A OE1 no hydrogen 3.012 N/A LYS 543.A NZ GLU 598.A OE2 no hydrogen 2.908 N/A LEU 544.A N LYS 540.A O no hydrogen 2.893 N/A ALA 545.A N ARG 541.A O no hydrogen 2.813 N/A THR 546.A N GLN 542.A O no hydrogen 2.923 N/A THR 546.A OG1 GLN 542.A O no hydrogen 3.352 N/A ALA 547.A N LYS 543.A O no hydrogen 2.939 N/A ILE 548.A N LEU 544.A O no hydrogen 3.085 N/A VAL 549.A N ALA 545.A O no hydrogen 3.113 N/A LEU 550.A N THR 546.A O no hydrogen 3.021 N/A LEU 551.A N ALA 547.A O no hydrogen 3.129 N/A SER 552.A N ILE 548.A O no hydrogen 3.319 N/A SER 552.A OG ILE 548.A O no hydrogen 2.691 N/A GLN 553.A N ILE 497.A O no hydrogen 3.041 N/A GLN 553.A NE2 ALA 611.A O no hydrogen 2.903 N/A ILE 555.A N SER 510.A O no hydrogen 2.676 N/A PHE 557.A N ASN 512.A O no hydrogen 2.985 N/A LEU 558.A N ILE 216.A O no hydrogen 2.890 N/A HIS 559.A N GLN 562.A OE1 no hydrogen 2.996 N/A HIS 559.A ND1 GLU 515.A OE2 no hydrogen 2.825 N/A SER 560.A N GLU 218.A O no hydrogen 3.010 N/A SER 560.A OG GLU 218.A O no hydrogen 3.115 N/A GLY 561.A N GLU 563.A OE1 no hydrogen 2.871 N/A GLN 562.A N HIS 559.A O no hydrogen 2.910 N/A GLN 562.A NE2 THR 546.A OG1 no hydrogen 2.914 N/A GLU 563.A N GLU 563.A OE1 no hydrogen 2.558 N/A PHE 564.A N GLY 561.A O no hydrogen 2.998 N/A TYR 565.A N GLN 562.A O no hydrogen 3.361 N/A TYR 565.A OH ASP 595.A OD1 no hydrogen 2.495 N/A ARG 566.A N GLY 561.A O no hydrogen 2.954 N/A ARG 566.A NH1 SER 560.A O no hydrogen 2.754 N/A ARG 566.A NH2 ASP 223.A OD2 no hydrogen 3.425 N/A ARG 566.A NH2 ASN 582.A O no hydrogen 2.581 N/A THR 567.A OG1 ASP 524.A OD1 no hydrogen 2.292 N/A THR 567.A OG1 ASP 524.A OD2 no hydrogen 3.038 N/A LYS 568.A N ASP 524.A OD2 no hydrogen 2.759 N/A LYS 568.A NZ SER 574.A OG no hydrogen 3.387 N/A LYS 569.A N THR 567.A OG1 no hydrogen 3.175 N/A GLY 570.A N ASP 524.A OD2 no hydrogen 3.002 N/A VAL 571.A N LYS 568.A O no hydrogen 3.077 N/A SER 574.A OG ASN 582.A OD1 no hydrogen 2.484 N/A SER 577.A N SER 574.A O no hydrogen 3.027 N/A SER 577.A OG SER 574.A O no hydrogen 3.557 N/A GLU 580.A N GLU 580.A OE1 no hydrogen 2.639 N/A VAL 581.A N PRO 578.A O no hydrogen 2.862 N/A ASN 582.A N PRO 578.A O no hydrogen 3.045 N/A ASN 582.A ND2 SER 574.A O no hydrogen 2.845 N/A ASN 582.A ND2 SER 577.A O no hydrogen 3.043 N/A GLN 583.A N ASP 579.A O no hydrogen 2.793 N/A VAL 584.A N ASP 223.A O no hydrogen 2.889 N/A TRP 586.A NE1 PHE 224.A O no hydrogen 2.952 N/A ASN 587.A N ASP 585.A OD1 no hydrogen 2.935 N/A GLU 588.A N ASP 585.A OD1 no hydrogen 3.281 N/A LYS 589.A N ASP 585.A O no hydrogen 3.123 N/A LYS 589.A NZ THR 252.A OG1 no hydrogen 2.960 N/A LYS 589.A NZ LEU 253.A O no hydrogen 2.497 N/A SER 590.A N TRP 586.A O no hydrogen 3.030 N/A SER 590.A OG PRO 249.A O no hydrogen 3.058 N/A SER 590.A OG GLU 593.A OE1 no hydrogen 3.265 N/A ARG 591.A N ASN 587.A O no hydrogen 2.846 N/A ARG 591.A NH1 GLU 588.A OE2 no hydrogen 2.995 N/A TRP 592.A N GLU 588.A O no hydrogen 2.913 N/A TRP 592.A N LYS 589.A O no hydrogen 2.968 N/A TRP 592.A NE1 GLU 588.A OE1 no hydrogen 3.003 N/A GLU 593.A N SER 590.A O no hydrogen 3.424 N/A VAL 596.A N TRP 592.A O no hydrogen 3.025 N/A ARG 597.A N GLU 593.A O no hydrogen 2.877 N/A GLU 598.A N GLU 594.A O no hydrogen 3.203 N/A ILE 599.A N ASP 595.A O no hydrogen 3.111 N/A MET 600.A N VAL 596.A O no hydrogen 3.051 N/A LYS 601.A N ARG 597.A O no hydrogen 2.809 N/A LYS 601.A NZ GLU 604.A OE1 no hydrogen 3.404 N/A LEU 602.A N GLU 598.A O no hydrogen 2.896 N/A ILE 603.A N ILE 599.A O no hydrogen 2.806 N/A GLU 604.A N MET 600.A O no hydrogen 2.851 N/A LEU 605.A N LYS 601.A O no hydrogen 2.886 N/A ARG 606.A N LEU 602.A O no hydrogen 2.964 N/A ARG 606.A NH1 LEU 550.A O no hydrogen 2.597 N/A ARG 606.A NH1 SER 552.A O no hydrogen 2.858 N/A ARG 606.A NH2 THR 212.A O no hydrogen 3.461 N/A ARG 606.A NH2 SER 552.A O no hydrogen 3.483 N/A LYS 607.A N ILE 603.A O no hydrogen 3.108 N/A LYS 607.A NZ GLY 263.A O no hydrogen 2.900 N/A LYS 608.A N GLU 604.A O no hydrogen 2.997 N/A LYS 608.A N LEU 605.A O no hydrogen 3.076 N/A HIS 609.A NE2 TRP 647.A O no hydrogen 2.808 N/A GLY 610.A N TYR 644.A O no hydrogen 2.949 N/A ALA 611.A N HIS 609.A ND1 no hydrogen 2.992 N/A PHE 612.A N HIS 609.A O no hydrogen 3.204 N/A ARG 613.A N GLY 610.A O no hydrogen 2.931 N/A ARG 613.A NE ASP 213.A OD1 no hydrogen 2.773 N/A ARG 613.A NH1 ARG 606.A O no hydrogen 3.202 N/A ARG 613.A NH2 ASP 213.A OD1 no hydrogen 3.119 N/A PHE 614.A N GLN 553.A OE1 no hydrogen 2.781 N/A LEU 615.A N GLN 619.A OE1 no hydrogen 2.827 N/A THR 616.A N GLN 619.A OE1 no hydrogen 2.825 N/A THR 616.A OG1 GLN 619.A OE1 no hydrogen 3.420 N/A GLN 619.A N THR 616.A OG1 no hydrogen 2.950 N/A GLN 619.A NE2 TYR 644.A OH no hydrogen 2.745 N/A VAL 620.A N THR 616.A O no hydrogen 3.218 N/A ARG 621.A N ALA 617.A O no hydrogen 2.764 N/A ARG 622.A N ASP 618.A O no hydrogen 3.033 N/A HIS 623.A N GLN 619.A O no hydrogen 3.181 N/A MET 624.A N VAL 620.A O no hydrogen 3.065 N/A LYS 625.A N GLN 637.A O no hydrogen 2.866 N/A TYR 627.A N ALA 635.A O no hydrogen 2.906 N/A TYR 627.A OH GLN 637.A OE1 no hydrogen 2.524 N/A THR 629.A OG1 VAL 633.A O no hydrogen 2.929 N/A HIS 630.A ND1 SER 632.A OG no hydrogen 2.713 N/A SER 632.A N HIS 630.A ND1 no hydrogen 3.418 N/A SER 632.A OG HIS 630.A ND1 no hydrogen 2.713 N/A SER 632.A OG GLU 657.A OE2 no hydrogen 2.881 N/A VAL 633.A N HIS 630.A O no hydrogen 2.780 N/A ILE 634.A N TYR 654.A O no hydrogen 2.939 N/A TYR 636.A N VAL 652.A O no hydrogen 2.860 N/A GLN 637.A N LYS 625.A O no hydrogen 2.740 N/A GLN 637.A NE2 GLN 649.A OE1 no hydrogen 2.720 N/A LEU 638.A N ILE 650.A O no hydrogen 2.741 N/A VAL 639.A N HIS 623.A O no hydrogen 2.703 N/A ASP 640.A N GLN 649.A OE1 no hydrogen 3.056 N/A VAL 641.A N LYS 648.A O no hydrogen 2.895 N/A TYR 644.A N VAL 641.A O no hydrogen 3.069 N/A LYS 648.A N GLN 696.A O no hydrogen 2.939 N/A GLN 649.A N GLN 696.A O no hydrogen 3.037 N/A GLN 649.A NE2 ASP 640.A OD1 no hydrogen 2.852 N/A ILE 650.A N LEU 638.A O no hydrogen 3.196 N/A VAL 651.A N LEU 694.A O no hydrogen 2.712 N/A VAL 652.A N TYR 636.A O no hydrogen 2.819 N/A VAL 653.A N TRP 692.A O no hydrogen 2.794 N/A TYR 654.A N ILE 634.A O no hydrogen 2.567 N/A TYR 654.A OH ALA 547.A O no hydrogen 2.702 N/A HIS 655.A N GLY 690.A O no hydrogen 2.908 N/A HIS 655.A ND1 GLY 688.A O no hydrogen 2.839 N/A HIS 655.A NE2 GLU 657.A OE2 no hydrogen 3.090 N/A ASN 656.A N SER 632.A O no hydrogen 2.883 N/A ASN 656.A ND2 PHE 482.A O no hydrogen 3.123 N/A ALA 661.A N ASN 687.A OD1 no hydrogen 3.296 N/A LEU 663.A N ILE 684.A O no hydrogen 2.743 N/A LEU 665.A N GLN 682.A O no hydrogen 3.073 N/A TRP 670.A N CYS 680.A O no hydrogen 2.958 N/A TRP 670.A NE1 ALA 666.A O no hydrogen 2.748 N/A LYS 671.A N ILE 695.A O no hydrogen 3.069 N/A VAL 672.A N ASN 678.A O no hydrogen 3.030 N/A MET 673.A N VAL 693.A O no hydrogen 2.729 N/A PHE 674.A N VAL 693.A O no hydrogen 3.309 N/A SER 676.A OG GLU 598.A OE1 no hydrogen 3.051 N/A CYS 680.A N TRP 670.A O no hydrogen 2.720 N/A PHE 683.A N GLU 681.A O no hydrogen 2.634 N/A ILE 684.A N LEU 663.A O no hydrogen 2.914 N/A ILE 686.A N ALA 661.A O no hydrogen 2.597 N/A ASN 687.A ND2 GLU 685.A OE2 no hydrogen 2.761 N/A GLY 688.A N LYS 659.A O no hydrogen 2.990 N/A ILE 689.A N GLU 658.A OE1 no hydrogen 2.770 N/A GLY 690.A N HIS 655.A O no hydrogen 3.053 N/A TRP 692.A N VAL 653.A O no hydrogen 2.836 N/A VAL 693.A N PHE 674.A O no hydrogen 2.961 N/A LEU 694.A N VAL 651.A O no hydrogen 2.790 N/A ILE 695.A N LYS 671.A O no hydrogen 2.934 N/A GLN 696.A N GLN 649.A O no hydrogen 2.896 N/A GLN 696.A NE2 ASP 667.A O no hydrogen 3.055 N/A GLN 696.A NE2 LYS 669.A O no hydrogen 2.961 N/A