Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A N PRO 21.A O no hydrogen 2.616 N/A SER 5.A N ASN 3.A OD1 no hydrogen 2.943 N/A SER 5.A OG ASN 3.A OD1 no hydrogen 3.075 N/A GLY 6.A N ASN 3.A O no hydrogen 3.460 N/A SER 7.A OG ASP 38.A OD2 no hydrogen 2.456 N/A CYS 8.A N ASP 38.A OD1 no hydrogen 2.879 N/A CYS 8.A SG ARG 24.A O no hydrogen 3.543 N/A LYS 9.A N SER 7.A OG no hydrogen 3.079 N/A ARG 11.A N CYS 8.A O no hydrogen 2.783 N/A ARG 11.A NE SER 7.A O no hydrogen 3.405 N/A ARG 11.A NH1 GLU 14.A OE2 no hydrogen 2.707 N/A ARG 11.A NH1 CYS 23.A O no hydrogen 3.184 N/A ARG 11.A NH2 SER 7.A O no hydrogen 3.357 N/A ARG 11.A NH2 CYS 23.A O no hydrogen 2.982 N/A PHE 13.A N CYS 25.A O no hydrogen 2.830 N/A GLU 14.A N ARG 11.A O no hydrogen 2.935 N/A ARG 24.A N SER 34.A O no hydrogen 2.811 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 2.658 N/A ARG 24.A NH1 SER 34.A OG no hydrogen 3.354 N/A LEU 28.A N ASP 26.A OD2 no hydrogen 2.702 N/A CYS 29.A N ASP 26.A O no hydrogen 3.165 N/A CYS 29.A SG ASP 26.A O no hydrogen 3.404 N/A LYS 30.A NZ ASP 40.A OD1 no hydrogen 2.872 N/A SER 31.A OG SER 226.A OG.A no hydrogen 2.766 N/A TYR 32.A N LEU 28.A O no hydrogen 3.291 N/A TYR 32.A N CYS 29.A O no hydrogen 2.834 N/A SER 33.A N LYS 30.A O no hydrogen 3.133 N/A SER 34.A N CYS 29.A O no hydrogen 3.131 N/A CYS 36.A N ARG 24.A O no hydrogen 3.034 N/A CYS 36.A SG ARG 24.A O no hydrogen 3.645 N/A HIS 37.A N THR 4.A O no hydrogen 2.919 N/A PHE 39.A N CYS 36.A O no hydrogen 3.057 N/A LEU 42.A N ASP 38.A O no hydrogen 2.786 N/A CYS 43.A N PHE 39.A O no hydrogen 2.755 N/A LYS 45.A NZ GLU 64.A OE2 no hydrogen 3.273 N/A GLY 49.A N THR 46.A O no hydrogen 3.201 N/A CYS 52.A N ASN 82.A OD1 no hydrogen 2.809 N/A CYS 52.A SG HIS 68.A O no hydrogen 3.701 N/A THR 53.A OG1 ASP 55.A OD2 no hydrogen 2.607 N/A ARG 56.A N THR 53.A O no hydrogen 2.760 N/A ARG 56.A NE GLU 59.A OE1 no hydrogen 3.138 N/A ARG 56.A NH2 GLU 59.A OE2 no hydrogen 3.045 N/A ARG 56.A NH2 CYS 67.A O no hydrogen 2.812 N/A CYS 57.A N LYS 54.A O no hydrogen 3.256 N/A CYS 57.A SG THR 53.A O no hydrogen 3.818 N/A CYS 57.A SG LYS 54.A O no hydrogen 3.670 N/A CYS 57.A SG VAL 86.A O no hydrogen 3.609 N/A GLY 58.A N CYS 69.A O no hydrogen 3.305 N/A ARG 61.A NH2 ASP 78.A OD2 no hydrogen 2.667 N/A GLU 64.A N ASN 62.A OD1 no hydrogen 2.824 N/A ASN 65.A N ASN 62.A O no hydrogen 3.118 N/A ALA 66.A N ALA 47.A O no hydrogen 3.010 N/A CYS 67.A SG GLY 49.A O no hydrogen 3.850 N/A HIS 68.A N ASP 78.A O no hydrogen 2.997 N/A CYS 69.A N GLU 59.A OE2 no hydrogen 3.028 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 2.588 N/A CYS 73.A N SER 70.A O no hydrogen 3.014 N/A CYS 73.A SG HIS 68.A O no hydrogen 3.702 N/A CYS 73.A SG SER 70.A O no hydrogen 3.240 N/A SER 75.A N ASP 72.A O no hydrogen 3.083 N/A ARG 76.A N ASP 72.A O no hydrogen 3.347 N/A ARG 76.A NH1 ASP 72.A OD2 no hydrogen 3.402 N/A GLY 77.A N CYS 73.A O no hydrogen 2.763 N/A ASP 78.A N CYS 73.A O no hydrogen 3.189 N/A CYS 80.A N HIS 68.A O no hydrogen 2.943 N/A CYS 80.A SG HIS 68.A O no hydrogen 3.980 N/A ASN 82.A ND2 CYS 52.A O no hydrogen 3.144 N/A TYR 83.A N CYS 80.A O no hydrogen 3.071 N/A GLN 84.A N GLN 294.A OE1 no hydrogen 3.044 N/A VAL 86.A N ASN 82.A O no hydrogen 3.034 N/A CYS 87.A N TYR 83.A O no hydrogen 2.750 N/A LYS 88.A N GLN 84.A O no hydrogen 2.745 N/A LYS 88.A NZ GLU 71.A OE1 no hydrogen 3.224 N/A GLU 90.A N GLN 84.A O no hydrogen 3.146 N/A SER 91.A N GLU 90.A OE1 no hydrogen 2.877 N/A SER 91.A OG GLU 90.A OE1 no hydrogen 3.547 N/A SER 91.A OG ASP 96.A OD1 no hydrogen 2.676 N/A HIS 92.A ND1 ASP 290.A OD2 no hydrogen 2.782 N/A TRP 93.A N ASP 290.A OD1 no hydrogen 2.890 N/A ASP 95.A N HIS 92.A O no hydrogen 3.195 N/A ASP 96.A N TRP 93.A O no hydrogen 3.047 N/A GLU 105.A N ARG 299.A O no hydrogen 2.953 N/A PHE 110.A N PRO 107.A O no hydrogen 3.276 N/A LEU 115.A N SER 251.A O no hydrogen 2.831 N/A ILE 116.A N ASN 302.A O no hydrogen 2.874 N/A ILE 117.A N TYR 253.A O no hydrogen 2.791 N/A PHE 118.A N ILE 304.A O no hydrogen 2.712 N/A SER 119.A N PHE 255.A O no hydrogen 2.827 N/A SER 119.A OG PHE 255.A O no hydrogen 2.938 N/A VAL 120.A N VAL 306.A O no hydrogen 2.932 N/A ASP 121.A N SER 257.A O no hydrogen 3.031 N/A ASP 121.A N GLN 259.A O no hydrogen 3.338 N/A GLY 122.A N ASP 308.A OD1 no hydrogen 2.826 N/A ARG 124.A NH1 MET 311.A O no hydrogen 2.881 N/A ALA 125.A N GLN 425.A O no hydrogen 3.048 N/A TYR 127.A N ARG 124.A O no hydrogen 2.961 N/A MET 128.A N ALA 125.A O no hydrogen 3.142 N/A LYS 129.A N SER 126.A O no hydrogen 3.108 N/A LYS 130.A N TYR 127.A O no hydrogen 2.971 N/A GLY 131.A N MET 128.A O no hydrogen 3.012 N/A VAL 134.A N GLY 131.A O no hydrogen 3.055 N/A MET 135.A N GLY 131.A O no hydrogen 2.837 N/A ASN 137.A N ASP 282.A OD2 no hydrogen 3.056 N/A ASN 137.A ND2 ASP 282.A OD2 no hydrogen 3.048 N/A ILE 138.A N ASP 282.A OD1 no hydrogen 2.698 N/A GLU 139.A N MET 135.A O no hydrogen 2.847 N/A LYS 140.A N PRO 136.A O no hydrogen 2.991 N/A LYS 140.A NZ TRP 93.A O no hydrogen 2.745 N/A LYS 140.A NZ ASP 96.A O no hydrogen 2.727 N/A LEU 141.A N ASN 137.A O no hydrogen 3.062 N/A ARG 142.A N ILE 138.A O no hydrogen 2.853 N/A ARG 142.A NE GLU 139.A OE1 no hydrogen 2.972 N/A ARG 142.A NH2 GLU 139.A OE2 no hydrogen 2.767 N/A SER 143.A N GLU 139.A O no hydrogen 2.888 N/A SER 143.A OG GLU 139.A O no hydrogen 2.911 N/A SER 143.A OG LYS 140.A O no hydrogen 3.553 N/A CYS 144.A N LYS 140.A O no hydrogen 2.916 N/A GLY 145.A N LEU 141.A O no hydrogen 2.934 N/A THR 146.A N GLY 430.A O no hydrogen 2.779 N/A THR 146.A OG1 LYS 436.A O no hydrogen 2.847 N/A HIS 147.A N THR 439.A O no hydrogen 2.960 N/A ALA 148.A N PHE 428.A O no hydrogen 3.316 N/A MET 151.A N THR 426.A O no hydrogen 2.807 N/A ARG 152.A N PHE 444.A O no hydrogen 2.896 N/A ARG 152.A NH1 GLU 445.A OE2 no hydrogen 2.805 N/A VAL 154.A N ASN 162.A OD1 no hydrogen 2.711 N/A TYR 155.A OH HIS 394.A NE2 no hydrogen 2.675 N/A THR 157.A N GLY 416.A O no hydrogen 3.228 N/A THR 157.A OG1 PHE 417.A O no hydrogen 2.714 N/A LYS 158.A N PRO 156.A O no hydrogen 2.821 N/A THR 159.A OG1 ASP 121.A OD2 no hydrogen 3.296 N/A THR 159.A OG1 ASP 308.A OD2 no hydrogen 3.313 N/A PHE 160.A N ASN 180.A OD1 no hydrogen 2.902 N/A ASN 162.A N LYS 158.A O no hydrogen 3.312 N/A ASN 162.A ND2 VAL 154.A O no hydrogen 3.023 N/A ASN 162.A ND2 LYS 158.A O no hydrogen 3.071 N/A LEU 163.A N THR 159.A O no hydrogen 2.813 N/A TYR 164.A N PHE 160.A O no hydrogen 3.144 N/A TYR 164.A OH GLY 205.A O no hydrogen 2.704 N/A THR 165.A N PRO 161.A O no hydrogen 2.998 N/A THR 165.A OG1 PRO 161.A O no hydrogen 3.148 N/A THR 165.A OG1 LEU 170.A O no hydrogen 2.712 N/A THR 165.A OG1 HIS 175.A NE2 no hydrogen 2.914 N/A LEU 166.A N ASN 162.A O no hydrogen 2.883 N/A ALA 167.A N LEU 163.A O no hydrogen 3.074 N/A THR 168.A N THR 165.A O no hydrogen 3.117 N/A THR 168.A OG1 TYR 164.A O no hydrogen 2.743 N/A GLY 169.A N THR 165.A O no hydrogen 2.805 N/A LEU 170.A N THR 168.A OG1 no hydrogen 3.172 N/A TYR 171.A N ASN 465.A OD1 no hydrogen 2.953 N/A SER 174.A N TYR 171.A O no hydrogen 2.841 N/A HIS 175.A N TYR 171.A O no hydrogen 2.960 N/A HIS 175.A NE2 THR 165.A OG1 no hydrogen 2.914 N/A GLY 176.A N PRO 172.A O no hydrogen 2.765 N/A ILE 177.A N HIS 175.A ND1 no hydrogen 3.102 N/A SER 181.A OG HIS 192.A ND1 no hydrogen 3.144 N/A MET 182.A N PHE 191.A O no hydrogen 3.040 N/A TYR 183.A OH ASP 188.A OD1 no hydrogen 2.661 N/A ASP 184.A N ALA 189.A O no hydrogen 3.008 N/A VAL 186.A N ASP 184.A OD1 no hydrogen 2.825 N/A PHE 187.A N ASP 184.A OD1 no hydrogen 2.913 N/A ALA 189.A N ASP 184.A O no hydrogen 3.275 N/A PHE 191.A N MET 182.A O no hydrogen 2.884 N/A HIS 192.A ND1 SER 181.A OG no hydrogen 3.144 N/A LYS 198.A NZ LEU 193.A O no hydrogen 2.687 N/A LYS 198.A NZ GLY 195.A O no hydrogen 2.678 N/A PHE 199.A N ARG 196.A O no hydrogen 2.867 N/A ASN 200.A N GLU 197.A O no hydrogen 2.948 N/A ARG 202.A N ASN 200.A OD1 no hydrogen 2.965 N/A ARG 202.A NE GLU 197.A OE1 no hydrogen 3.198 N/A ARG 202.A NH2 GLU 197.A OE1 no hydrogen 2.799 N/A TRP 203.A NE1 GLU 197.A OE1 no hydrogen 2.680 N/A TRP 204.A N HIS 201.A O no hydrogen 3.112 N/A TRP 204.A NE1 LYS 198.A O no hydrogen 2.842 N/A GLY 205.A N HIS 175.A O no hydrogen 2.760 N/A GLN 207.A NE2 THR 212.A OG1 no hydrogen 2.642 N/A LEU 209.A N ALA 167.A O no hydrogen 2.742 N/A THR 212.A N PRO 208.A O no hydrogen 3.052 N/A THR 212.A OG1 GLN 207.A O no hydrogen 3.526 N/A THR 212.A OG1 PRO 208.A O no hydrogen 3.357 N/A THR 212.A OG1 TYR 450.A OH no hydrogen 2.725 N/A ALA 213.A N LEU 209.A O no hydrogen 2.850 N/A THR 214.A N TRP 210.A O no hydrogen 2.988 N/A THR 214.A OG1 TRP 210.A O no hydrogen 2.805 N/A LYS 215.A N ILE 211.A O no hydrogen 2.820 N/A GLN 216.A N THR 212.A O no hydrogen 3.298 N/A GLN 216.A N ALA 213.A O no hydrogen 2.996 N/A GLN 216.A NE2 LYS 460.A O no hydrogen 2.867 N/A GLY 217.A N THR 214.A O no hydrogen 2.929 N/A VAL 218.A N ALA 213.A O no hydrogen 2.825 N/A ARG 219.A NH1 GLU 248.A O no hydrogen 3.120 N/A GLY 221.A N VAL 252.A O no hydrogen 2.663 N/A THR 222.A OG1 PHE 224.A O no hydrogen 2.716 N/A PHE 224.A N THR 222.A OG1 no hydrogen 3.096 N/A TRP 225.A NE1 ALA 254.A O no hydrogen 2.922 N/A SER 226.A N ASN 27.A O no hydrogen 3.200 N/A SER 226.A OG.A ASN 27.A O no hydrogen 2.817 N/A SER 226.A OG.A SER 31.A OG no hydrogen 2.766 N/A SER 226.A OG.C SER 228.A OG no hydrogen 3.346 N/A SER 228.A OG SER 226.A OG.C no hydrogen 3.346 N/A ILE 229.A N SER 226.A O no hydrogen 2.996 N/A HIS 231.A NE2 GLU 258.A OE2 no hydrogen 2.791 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.717 N/A ARG 233.A N PRO 230.A O no hydrogen 2.914 N/A ARG 233.A NH2 LYS 45.A O no hydrogen 3.052 N/A ARG 233.A NH2 ALA 66.A O no hydrogen 2.955 N/A ARG 234.A N PRO 230.A O no hydrogen 3.118 N/A ARG 234.A NE ILE 229.A O no hydrogen 2.810 N/A ARG 234.A NH1 TYR 256.A O no hydrogen 2.719 N/A ARG 234.A NH2 ILE 229.A O no hydrogen 2.942 N/A ILE 235.A N HIS 231.A O no hydrogen 2.971 N/A LEU 236.A N GLU 232.A O no hydrogen 2.945 N/A THR 237.A N ARG 233.A O no hydrogen 2.844 N/A THR 237.A OG1 ARG 233.A O no hydrogen 2.809 N/A ILE 238.A N ARG 234.A O no hydrogen 3.026 N/A LEU 239.A N ILE 235.A O no hydrogen 3.026 N/A GLN 240.A N LEU 236.A O no hydrogen 2.831 N/A GLN 240.A NE2 ARG 76.A O no hydrogen 2.836 N/A TRP 241.A N THR 237.A O no hydrogen 2.882 N/A TRP 241.A NE1 PHE 13.A O no hydrogen 2.982 N/A LEU 242.A N ILE 238.A O no hydrogen 2.983 N/A SER 243.A N GLN 240.A O no hydrogen 2.998 N/A SER 243.A OG LEU 239.A O no hydrogen 2.848 N/A LEU 244.A N TRP 241.A O no hydrogen 3.127 N/A GLU 248.A N PRO 245.A O no hydrogen 2.853 N/A ARG 249.A N PRO 245.A O no hydrogen 3.065 N/A ARG 249.A NH1 ASP 246.A OD1 no hydrogen 2.823 N/A ARG 249.A NH2 GLY 109.A O no hydrogen 3.086 N/A ARG 249.A NH2 ASP 246.A OD1 no hydrogen 3.313 N/A SER 251.A N ARG 219.A O no hydrogen 2.763 N/A TYR 253.A N LEU 115.A O no hydrogen 2.852 N/A TYR 253.A OH PRO 250.A O no hydrogen 2.720 N/A PHE 255.A N ILE 117.A O no hydrogen 2.733 N/A TYR 256.A OH ASP 121.A OD2 no hydrogen 2.660 N/A SER 257.A N SER 119.A O no hydrogen 3.007 N/A SER 257.A OG GLN 259.A O no hydrogen 3.289 N/A GLU 258.A N GLU 258.A OE2 no hydrogen 2.788 N/A GLN 259.A N SER 257.A OG no hydrogen 3.070 N/A GLN 259.A NE2 SER 263.A OG no hydrogen 2.970 N/A PHE 262.A N GLU 258.A O no hydrogen 3.454 N/A SER 263.A N GLN 259.A OE1 no hydrogen 2.988 N/A GLY 264.A N PRO 260.A O no hydrogen 2.892 N/A HIS 265.A N ASP 261.A O no hydrogen 2.994 N/A HIS 265.A ND1 GLY 413.A O no hydrogen 3.117 N/A LYS 266.A N PHE 262.A O no hydrogen 3.254 N/A LYS 266.A NZ TYR 267.A OH no hydrogen 3.438 N/A TYR 267.A N SER 263.A O no hydrogen 2.852 N/A GLY 268.A N GLY 264.A O no hydrogen 2.737 N/A GLY 271.A N GLY 268.A O no hydrogen 3.371 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.678 N/A MET 274.A N GLY 271.A O no hydrogen 3.162 N/A THR 275.A N PRO 272.A O no hydrogen 3.294 N/A THR 275.A OG1 PRO 272.A O no hydrogen 3.358 N/A ASN 276.A ND2 GLU 280.A OE2 no hydrogen 2.717 N/A LEU 278.A N MET 274.A O no hydrogen 3.300 N/A ARG 279.A N THR 275.A O no hydrogen 2.898 N/A GLU 280.A N ASN 276.A O no hydrogen 2.919 N/A ILE 281.A N PRO 277.A O no hydrogen 3.020 N/A ASP 282.A N LEU 278.A O no hydrogen 3.126 N/A LYS 283.A N ARG 279.A O no hydrogen 2.987 N/A LYS 283.A NZ GLU 51.A OE2 no hydrogen 2.800 N/A THR 284.A N GLU 280.A O no hydrogen 3.041 N/A THR 284.A OG1 GLU 280.A O no hydrogen 3.224 N/A VAL 285.A N ILE 281.A O no hydrogen 2.908 N/A GLY 286.A N ASP 282.A O no hydrogen 2.901 N/A GLN 287.A N LYS 283.A O no hydrogen 2.921 N/A LEU 288.A N THR 284.A O no hydrogen 3.013 N/A MET 289.A N VAL 285.A O no hydrogen 2.905 N/A ASP 290.A N GLY 286.A O no hydrogen 2.727 N/A GLY 291.A N GLN 287.A O no hydrogen 2.820 N/A LEU 292.A N LEU 288.A O no hydrogen 2.833 N/A LYS 293.A N MET 289.A O no hydrogen 2.875 N/A LYS 293.A NZ GLU 90.A OE1 no hydrogen 2.932 N/A LYS 293.A NZ SER 91.A O no hydrogen 2.761 N/A LYS 293.A NZ ASP 96.A OD2 no hydrogen 2.795 N/A GLN 294.A N ASP 290.A O no hydrogen 2.957 N/A LEU 295.A N GLY 291.A O no hydrogen 3.147 N/A LEU 295.A N LEU 292.A O no hydrogen 2.996 N/A LYS 296.A N LYS 293.A O no hydrogen 2.906 N/A LEU 297.A N LEU 292.A O no hydrogen 2.771 N/A ARG 299.A NE GLU 105.A OE1 no hydrogen 3.048 N/A ARG 299.A NE GLU 105.A OE2 no hydrogen 3.052 N/A ARG 299.A NH1 GLU 99.A O no hydrogen 3.121 N/A ARG 299.A NH2 GLU 100.A O no hydrogen 3.096 N/A ARG 299.A NH2 GLU 105.A OE2 no hydrogen 2.758 N/A CYS 300.A N LEU 297.A O no hydrogen 2.819 N/A VAL 301.A N LEU 297.A O no hydrogen 3.127 N/A ASN 302.A N PRO 114.A O no hydrogen 2.871 N/A ASN 302.A ND2 THR 434.A OG1 no hydrogen 2.835 N/A VAL 303.A N TYR 431.A O no hydrogen 2.737 N/A ILE 304.A N ILE 116.A O no hydrogen 2.909 N/A PHE 305.A N VAL 429.A O no hydrogen 2.837 N/A VAL 306.A N PHE 118.A O no hydrogen 3.013 N/A GLY 307.A N VAL 427.A O no hydrogen 3.110 N/A HIS 309.A ND1 GLY 310.A O no hydrogen 2.701 N/A GLY 310.A N MET 424.A O no hydrogen 2.848 N/A MET 311.A N SER 423.A O no hydrogen 3.011 N/A GLU 312.A N ASP 414.A O no hydrogen 2.803 N/A ASP 313.A N GLU 312.A OE1 no hydrogen 2.844 N/A VAL 314.A N GLN 412.A O no hydrogen 3.053 N/A ARG 318.A N THR 315.A O no hydrogen 3.054 N/A ARG 318.A NE ARG 400.A O no hydrogen 2.830 N/A ARG 318.A NH2 ASP 313.A O no hydrogen 2.949 N/A THR 319.A OG1 CYS 316.A O no hydrogen 2.908 N/A GLU 320.A N HIS 402.A O no hydrogen 2.719 N/A LEU 322.A N ALA 404.A O no hydrogen 2.899 N/A SER 323.A N ARG 405.A O no hydrogen 3.031 N/A ASN 324.A N PHE 321.A O no hydrogen 3.048 N/A TYR 325.A N LEU 322.A O no hydrogen 2.829 N/A TYR 325.A OH GLU 320.A OE1 no hydrogen 2.741 N/A LEU 326.A N LEU 322.A O no hydrogen 2.821 N/A ASP 331.A N ASN 328.A O no hydrogen 3.315 N/A ILE 332.A N VAL 329.A O no hydrogen 3.264 N/A THR 333.A N ARG 343.A O no hydrogen 2.829 N/A VAL 335.A N ARG 341.A O no hydrogen 2.829 N/A GLY 337.A N VAL 403.A O no hydrogen 2.891 N/A THR 338.A OG1 HIS 415.A O no hydrogen 2.643 N/A GLY 340.A N LEU 395.A O no hydrogen 2.957 N/A ARG 341.A N VAL 335.A O no hydrogen 3.097 N/A ARG 341.A NE GLU 391.A OE1 no hydrogen 2.653 N/A ARG 341.A NH2 SER 181.A O no hydrogen 2.751 N/A ILE 342.A N LEU 393.A O no hydrogen 3.164 N/A ARG 343.A N THR 333.A O no hydrogen 3.128 N/A ARG 343.A NH1 GLU 391.A OE2 no hydrogen 2.997 N/A LYS 345.A N ASP 331.A O no hydrogen 2.906 N/A ASN 349.A N ILE 346.A O no hydrogen 2.942 N/A LYS 351.A N ASN 349.A OD1 no hydrogen 2.978 N/A TYR 352.A N ASN 349.A O no hydrogen 3.127 N/A ALA 356.A N ASP 353.A OD1 no hydrogen 3.364 N/A ILE 357.A N ASP 353.A O no hydrogen 3.014 N/A ILE 358.A N PRO 354.A O no hydrogen 2.876 N/A ALA 359.A N LYS 355.A O no hydrogen 2.975 N/A ASN 360.A N ALA 356.A O no hydrogen 3.030 N/A ASN 360.A ND2 TYR 325.A O no hydrogen 2.973 N/A LEU 361.A N ILE 358.A O no hydrogen 3.031 N/A THR 362.A N ALA 359.A O no hydrogen 3.275 N/A THR 362.A OG1 ILE 358.A O no hydrogen 2.670 N/A CYS 363.A SG ASP 731.A O no hydrogen 3.590 N/A LYS 364.A N GLN 368.A OE1 no hydrogen 2.732 N/A LYS 365.A N GLN 368.A OE1 no hydrogen 3.171 N/A LYS 365.A NZ GLU 320.A OE2 no hydrogen 2.776 N/A GLN 368.A N LYS 365.A O no hydrogen 3.184 N/A GLN 368.A NE2 LEU 361.A O no hydrogen 2.794 N/A GLN 368.A NE2 PHE 370.A O no hydrogen 3.248 N/A HIS 369.A N GLU 320.A OE2 no hydrogen 2.836 N/A HIS 369.A ND1 GLU 398.A OE1 no hydrogen 2.874 N/A LYS 371.A N LEU 396.A O no hydrogen 2.855 N/A LYS 371.A NZ GLU 732.A O no hydrogen 2.731 N/A TYR 373.A N HIS 394.A O no hydrogen 2.822 N/A TYR 373.A OH GLU 732.A OE2 no hydrogen 2.579 N/A LYS 375.A N ASP 392.A O no hydrogen 2.794 N/A LYS 375.A NZ ALA 385.A O no hydrogen 2.896 N/A LYS 375.A NZ ILE 390.A O no hydrogen 2.996 N/A GLN 376.A N GLN 376.A OE1 no hydrogen 2.818 N/A HIS 377.A N MET 374.A O no hydrogen 2.787 N/A LEU 378.A N LYS 375.A O no hydrogen 3.174 N/A LYS 380.A NZ ASP 668.A OD2 no hydrogen 2.650 N/A ARG 381.A NE MET 750.A O no hydrogen 2.927 N/A ARG 381.A NH1 ASP 418.A OD1 no hydrogen 2.894 N/A ARG 381.A NH2 ASP 418.A OD2 no hydrogen 2.856 N/A ARG 381.A NH2 MET 750.A O no hydrogen 3.179 N/A LEU 382.A N PRO 379.A O no hydrogen 3.061 N/A HIS 383.A N LYS 380.A O no hydrogen 2.952 N/A HIS 383.A NE2 ASP 757.A OD1 no hydrogen 2.744 N/A TYR 384.A OH VAL 178.A O no hydrogen 2.679 N/A ALA 385.A N GLU 173.A OE1 no hydrogen 3.038 N/A ASN 386.A N GLU 173.A OE1 no hydrogen 2.822 N/A ASN 387.A N ALA 385.A O no hydrogen 2.881 N/A ASN 387.A ND2 GLU 173.A O no hydrogen 2.951 N/A ARG 388.A NE ASP 184.A OD1 no hydrogen 3.180 N/A ARG 388.A NE ASP 184.A OD2 no hydrogen 2.910 N/A ARG 388.A NH2 ASP 184.A OD2 no hydrogen 3.236 N/A ARG 389.A N ASN 387.A OD1 no hydrogen 2.865 N/A ARG 389.A NE ASP 184.A OD2 no hydrogen 2.797 N/A ARG 389.A NH1 GLY 176.A O no hydrogen 2.894 N/A ARG 389.A NH1 TRP 203.A O no hydrogen 2.948 N/A ARG 389.A NH2 ASP 184.A OD2 no hydrogen 3.439 N/A ARG 389.A NH2 ARG 202.A O no hydrogen 3.570 N/A ILE 390.A N ASN 387.A O no hydrogen 3.130 N/A GLU 391.A N GLU 391.A OE1 no hydrogen 2.676 N/A HIS 394.A N TYR 373.A O no hydrogen 2.839 N/A HIS 394.A NE2 TYR 155.A OH no hydrogen 2.675 N/A LEU 395.A N GLY 340.A O no hydrogen 2.760 N/A LEU 396.A N LYS 371.A O no hydrogen 3.010 N/A GLU 398.A N HIS 369.A O no hydrogen 2.892 N/A ARG 399.A NH1 GLU 788.A OE1 no hydrogen 2.721 N/A ARG 399.A NH2 GLU 788.A OE1 no hydrogen 3.308 N/A ARG 399.A NH2 GLU 788.A OE2 no hydrogen 2.625 N/A TRP 401.A N GLU 398.A O no hydrogen 3.050 N/A HIS 402.A N ARG 318.A O no hydrogen 2.906 N/A HIS 402.A NE2 ASP 414.A OD2 no hydrogen 2.699 N/A VAL 403.A N GLY 337.A O no hydrogen 2.881 N/A ALA 404.A N GLU 320.A O no hydrogen 2.766 N/A ARG 405.A NH1 VAL 329.A O no hydrogen 3.149 N/A ARG 405.A NH1 ASP 330.A OD1 no hydrogen 2.894 N/A LYS 406.A NZ ASP 330.A OD1 no hydrogen 2.885 N/A CYS 409.A SG PHE 411.A O no hydrogen 3.050 N/A GLN 412.A N HIS 265.A O no hydrogen 2.798 N/A GLY 413.A N HIS 265.A O no hydrogen 3.034 N/A ASP 414.A N GLU 312.A O no hydrogen 3.029 N/A HIS 415.A N ASP 414.A OD1 no hydrogen 2.838 N/A HIS 415.A ND1 THR 157.A O no hydrogen 2.764 N/A HIS 415.A NE2 HIS 265.A NE2 no hydrogen 3.183 N/A ASN 419.A ND2 PRO 153.A O no hydrogen 2.873 N/A LYS 420.A N ASP 418.A OD1 no hydrogen 3.002 N/A LYS 420.A NZ GLU 788.A OE2 no hydrogen 3.417 N/A VAL 421.A N ASP 418.A O no hydrogen 3.091 N/A ASN 422.A N GLU 788.A OE1 no hydrogen 2.999 N/A SER 423.A OG GLU 312.A OE2 no hydrogen 2.666 N/A MET 424.A N VAL 421.A O no hydrogen 2.902 N/A GLN 425.A N ASN 422.A O no hydrogen 3.137 N/A GLN 425.A NE2 ASN 419.A O no hydrogen 2.801 N/A GLN 425.A NE2 VAL 421.A O no hydrogen 2.954 N/A THR 426.A N MET 151.A O no hydrogen 2.909 N/A THR 426.A OG1 PHE 123.A O no hydrogen 2.743 N/A VAL 427.A N THR 426.A OG1 no hydrogen 2.735 N/A VAL 429.A N PHE 305.A O no hydrogen 2.921 N/A GLY 430.A N THR 146.A O no hydrogen 2.754 N/A TYR 431.A N VAL 303.A O no hydrogen 2.888 N/A THR 434.A N ASN 302.A OD1 no hydrogen 2.957 N/A PHE 435.A N GLY 432.A O no hydrogen 3.180 N/A LYS 436.A N LEU 474.A O no hydrogen 3.222 N/A LYS 436.A NZ HIS 473.A O no hydrogen 2.961 N/A ARG 438.A N CYS 144.A O no hydrogen 2.830 N/A ARG 438.A NE TYR 437.A OH no hydrogen 2.979 N/A THR 439.A N GLY 145.A O no hydrogen 3.036 N/A THR 439.A OG1 TYR 437.A O no hydrogen 2.900 N/A VAL 441.A N HIS 147.A O no hydrogen 2.851 N/A ASN 446.A N ARG 152.A O no hydrogen 2.920 N/A ASN 446.A ND2 ASN 162.A OD1 no hydrogen 2.829 N/A GLU 448.A N GLU 445.A O no hydrogen 2.993 N/A LEU 449.A N ASN 446.A O no hydrogen 3.169 N/A TYR 450.A OH THR 212.A OG1 no hydrogen 2.725 N/A MET 453.A N LEU 449.A O no hydrogen 2.808 N/A CYS 454.A N TYR 450.A O no hydrogen 2.927 N/A CYS 454.A SG TYR 450.A O no hydrogen 3.423 N/A ASP 455.A N ASN 451.A O no hydrogen 2.837 N/A LEU 456.A N VAL 452.A O no hydrogen 2.827 N/A LEU 457.A N CYS 454.A O no hydrogen 2.951 N/A GLY 458.A N ASP 455.A O no hydrogen 3.282 N/A LEU 459.A N CYS 454.A O no hydrogen 2.785 N/A LYS 460.A N GLN 216.A OE1 no hydrogen 2.851 N/A ALA 462.A N TYR 450.A OH no hydrogen 2.996 N/A ASN 464.A ND2 ASN 451.A OD1 no hydrogen 2.951 N/A ASN 464.A ND2 ALA 462.A O no hydrogen 2.827 N/A ASN 465.A N GLY 169.A O no hydrogen 2.870 N/A GLY 466.A N ASN 464.A OD1 no hydrogen 2.899 N/A THR 467.A N GLU 448.A OE1 no hydrogen 2.763 N/A HIS 468.A NE2 ASP 455.A OD1 no hydrogen 2.845 N/A HIS 468.A NE2 ASP 455.A OD2 no hydrogen 3.135 N/A SER 470.A N THR 467.A O no hydrogen 2.968 N/A SER 470.A OG GLU 448.A OE1 no hydrogen 2.922 N/A SER 470.A OG THR 467.A O no hydrogen 2.807 N/A ASN 472.A N GLY 469.A O no hydrogen 3.060 N/A ASN 472.A ND2 PHE 480.A O no hydrogen 2.648 N/A ASN 472.A ND2 SER 775.A OG no hydrogen 2.996 N/A LEU 474.A N LEU 471.A O no hydrogen 3.071 N/A LEU 475.A N ASN 472.A O no hydrogen 3.012 N/A ARG 476.A N THR 434.A O no hydrogen 2.895 N/A ARG 476.A NH1 GLU 100.A OE2 no hydrogen 3.311 N/A ARG 476.A NH2 GLU 100.A OE2 no hydrogen 2.772 N/A ASN 478.A ND2 ASP 455.A O no hydrogen 3.201 N/A PHE 480.A N ASN 472.A OD1 no hydrogen 2.942 N/A VAL 488.A N VAL 532.A O no hydrogen 2.946 N/A SER 489.A N VAL 532.A O no hydrogen 3.277 N/A SER 489.A OG TYR 534.A O no hydrogen 2.664 N/A SER 489.A OG THR 536.A O no hydrogen 3.284 N/A ASN 492.A N TYR 538.A O no hydrogen 2.910 N/A ASN 492.A ND2 TYR 538.A O no hydrogen 3.229 N/A ASN 492.A ND2 ASP 539.A OD1 no hydrogen 3.319 N/A MET 497.A N VAL 585.A O no hydrogen 3.261 N/A LEU 499.A N ASP 502.A OD2 no hydrogen 2.568 N/A ASP 502.A N LEU 499.A O no hydrogen 2.570 N/A PHE 503.A N GLN 500.A O no hydrogen 3.102 N/A CYS 509.A SG ASP 511.A O no hydrogen 3.681 N/A LYS 512.A N ASP 511.A OD2 no hydrogen 2.808 N/A HIS 515.A NE2 ASP 623.A OD1 no hydrogen 2.565 N/A THR 516.A N ARG 513.A O no hydrogen 3.107 N/A THR 516.A OG1 ARG 513.A O no hydrogen 2.630 N/A LYS 517.A NZ GLU 521.A OE2 no hydrogen 3.536 N/A THR 520.A N LYS 517.A O no hydrogen 2.779 N/A THR 520.A OG1 LYS 517.A O no hydrogen 3.180 N/A THR 520.A OG1 HIS 543.A O no hydrogen 2.895 N/A ARG 523.A N SER 519.A O no hydrogen 3.286 N/A ARG 523.A N THR 520.A O no hydrogen 3.244 N/A ARG 523.A NE SER 519.A O no hydrogen 3.490 N/A ARG 523.A NE SER 519.A OG no hydrogen 3.236 N/A ARG 523.A NH1 THR 544.A O no hydrogen 3.198 N/A ARG 523.A NH2 THR 544.A O no hydrogen 2.992 N/A HIS 524.A N THR 520.A O no hydrogen 2.834 N/A HIS 524.A NE2 THR 544.A O no hydrogen 2.799 N/A LEU 525.A N GLU 521.A O no hydrogen 2.882 N/A GLY 528.A N LEU 525.A O no hydrogen 3.440 N/A ARG 529.A NH2 GLU 487.A OE1 no hydrogen 2.574 N/A ALA 531.A N ASP 765.A O no hydrogen 3.024 N/A VAL 532.A N GLU 487.A OE2 no hydrogen 3.154 N/A LEU 533.A N GLY 763.A O no hydrogen 2.865 N/A THR 536.A N SER 489.A OG no hydrogen 2.942 N/A TYR 538.A OH GLU 487.A OE2 no hydrogen 3.305 N/A TYR 538.A OH SER 489.A O no hydrogen 3.317 N/A ASP 539.A N TYR 550.A O no hydrogen 2.679 N/A ILE 540.A N ASN 492.A O no hydrogen 2.755 N/A LEU 541.A N SER 548.A O no hydrogen 2.957 N/A HIS 543.A ND1 PHE 546.A O no hydrogen 2.969 N/A GLU 547.A N SER 561.A O no hydrogen 2.966 N/A SER 548.A N LEU 541.A O no hydrogen 3.008 N/A GLY 549.A N TRP 559.A O no hydrogen 2.958 N/A TYR 550.A N ASP 539.A O no hydrogen 2.687 N/A TYR 550.A OH PHE 591.A O no hydrogen 2.684 N/A SER 551.A N MET 556.A O no hydrogen 3.024 N/A GLU 552.A N SER 537.A O no hydrogen 2.974 N/A ILE 553.A N SER 551.A OG no hydrogen 3.188 N/A PHE 554.A N SER 551.A OG no hydrogen 3.104 N/A LEU 555.A N SER 551.A O no hydrogen 2.996 N/A LEU 558.A N GLY 549.A O no hydrogen 2.769 N/A THR 560.A N SER 663.A O no hydrogen 2.843 N/A SER 561.A N GLU 547.A O no hydrogen 2.687 N/A SER 561.A OG HIS 524.A O no hydrogen 2.624 N/A TYR 562.A N VAL 661.A O no hydrogen 2.885 N/A THR 563.A N HIS 524.A ND1 no hydrogen 3.004 N/A THR 563.A OG1 ARG 523.A O no hydrogen 2.766 N/A ILE 564.A N VAL 659.A O no hydrogen 2.844 N/A ALA 568.A N SER 565.A O no hydrogen 3.002 N/A SER 571.A N TYR 613.A O no hydrogen 2.820 N/A LEU 577.A N PRO 574.A O no hydrogen 2.789 N/A THR 578.A N GLU 575.A O no hydrogen 3.292 N/A THR 578.A OG1 GLU 575.A O no hydrogen 2.835 N/A CYS 580.A N LEU 577.A O no hydrogen 2.860 N/A VAL 581.A N THR 508.A O no hydrogen 3.278 N/A ARG 582.A N PHE 625.A O no hydrogen 2.800 N/A ARG 582.A NE TYR 622.A O no hydrogen 3.194 N/A ARG 586.A N ASP 584.A OD1 no hydrogen 2.803 N/A ARG 586.A NE ASP 584.A OD1 no hydrogen 3.073 N/A ARG 586.A NH1 TYR 542.A O no hydrogen 2.978 N/A ARG 586.A NH2 HIS 543.A NE2 no hydrogen 2.891 N/A ARG 586.A NH2 ASP 584.A OD2 no hydrogen 2.835 N/A VAL 587.A N ASP 584.A O no hydrogen 2.851 N/A PHE 591.A N SER 588.A O no hydrogen 2.844 N/A PHE 591.A N SER 588.A OG no hydrogen 3.132 N/A SER 592.A N PRO 589.A O no hydrogen 3.327 N/A SER 592.A OG SER 588.A O no hydrogen 2.944 N/A GLN 593.A NE2 LEU 555.A O no hydrogen 2.683 N/A GLN 593.A NE2 MET 630.A O no hydrogen 2.974 N/A LEU 596.A N LEU 505.A O no hydrogen 3.205 N/A ALA 597.A N ASN 594.A O no hydrogen 3.342 N/A ALA 597.A N ASN 594.A OD1 no hydrogen 2.967 N/A TYR 598.A OH GLN 593.A OE1 no hydrogen 2.658 N/A LYS 599.A N CYS 595.A O no hydrogen 2.806 N/A ASN 600.A N LEU 596.A O no hydrogen 2.867 N/A ASN 600.A N ALA 597.A O no hydrogen 3.231 N/A ASP 601.A N ALA 597.A O no hydrogen 2.911 N/A ASP 601.A N TYR 598.A O no hydrogen 3.155 N/A GLN 603.A N ASP 601.A OD1 no hydrogen 2.905 N/A MET 604.A N ASP 601.A OD1 no hydrogen 2.786 N/A SER 605.A N MET 633.A O no hydrogen 2.998 N/A SER 605.A OG TYR 606.A O no hydrogen 3.562 N/A TYR 606.A N SER 605.A OG no hydrogen 2.470 N/A GLY 607.A N VAL 631.A O no hydrogen 2.765 N/A LEU 609.A N ASN 629.A O no hydrogen 3.028 N/A PHE 610.A N ASN 629.A OD1 no hydrogen 2.981 N/A LEU 614.A N PRO 611.A O no hydrogen 2.970 N/A SER 615.A N PRO 612.A O no hydrogen 3.308 N/A SER 615.A OG PRO 612.A O no hydrogen 3.000 N/A SER 616.A N ASP 545.A OD2 no hydrogen 2.750 N/A SER 616.A OG ASP 545.A OD1 no hydrogen 2.478 N/A SER 616.A OG ASP 545.A OD2 no hydrogen 3.199 N/A ALA 620.A N SER 617.A OG no hydrogen 2.794 N/A LYS 621.A N SER 617.A O no hydrogen 3.021 N/A LYS 621.A NZ SER 615.A OG no hydrogen 3.235 N/A TYR 622.A N GLU 619.A O no hydrogen 3.143 N/A ASP 623.A N ALA 620.A O no hydrogen 2.926 N/A ALA 624.A N LYS 621.A O no hydrogen 3.025 N/A PHE 625.A N TYR 622.A O no hydrogen 3.217 N/A LEU 626.A N ASP 623.A O no hydrogen 3.121 N/A VAL 627.A N ARG 582.A O no hydrogen 2.682 N/A THR 628.A OG1 ASP 584.A OD2 no hydrogen 2.808 N/A ASN 629.A N LEU 626.A O no hydrogen 3.056 N/A ASN 629.A ND2 PHE 610.A O no hydrogen 3.004 N/A ASN 629.A ND2 ALA 624.A O no hydrogen 2.840 N/A VAL 631.A N GLY 607.A O no hydrogen 2.774 N/A MET 633.A N SER 605.A O no hydrogen 3.126 N/A TYR 634.A N HIS 726.A NE2 no hydrogen 3.025 N/A LYS 638.A N TYR 634.A O no hydrogen 2.848 N/A LYS 638.A NZ TYR 606.A O no hydrogen 2.927 N/A ARG 639.A N PRO 635.A O no hydrogen 3.125 N/A ARG 639.A N ALA 636.A O no hydrogen 3.246 N/A ARG 639.A NE GLU 740.A OE2 no hydrogen 2.967 N/A ARG 639.A NH1 SER 736.A O no hydrogen 2.800 N/A ARG 639.A NH2 SER 736.A O no hydrogen 2.830 N/A ARG 639.A NH2 GLU 738.A O no hydrogen 3.240 N/A ARG 639.A NH2 GLU 740.A OE2 no hydrogen 3.349 N/A TRP 641.A N PHE 637.A O no hydrogen 2.843 N/A TRP 641.A NE1 PHE 608.A O no hydrogen 2.944 N/A THR 642.A N LYS 638.A O no hydrogen 2.903 N/A THR 642.A OG1 LYS 638.A O no hydrogen 3.208 N/A PHE 644.A N VAL 640.A O no hydrogen 2.961 N/A GLN 645.A N TRP 641.A O no hydrogen 2.738 N/A GLN 645.A NE2 PHE 608.A O no hydrogen 2.854 N/A GLN 645.A NE2 LEU 609.A O no hydrogen 2.950 N/A ARG 646.A N THR 642.A O no hydrogen 2.746 N/A VAL 647.A N TYR 643.A O no hydrogen 2.810 N/A LEU 648.A N TYR 643.A O no hydrogen 3.166 N/A VAL 649.A N PHE 644.A O no hydrogen 3.003 N/A LYS 650.A NZ ALA 568.A O no hydrogen 2.905 N/A LYS 651.A N VAL 647.A O no hydrogen 3.091 N/A LYS 651.A NZ GLU 745.A OE1 no hydrogen 2.751 N/A LYS 651.A NZ GLU 745.A OE2 no hydrogen 3.084 N/A TYR 652.A N LEU 648.A O no hydrogen 2.800 N/A ALA 653.A N VAL 649.A O no hydrogen 2.915 N/A SER 654.A N LYS 650.A O no hydrogen 2.870 N/A GLU 655.A N LYS 651.A O no hydrogen 3.013 N/A ARG 656.A N TYR 652.A O no hydrogen 2.820 N/A ARG 656.A NE SER 702.A OG no hydrogen 2.801 N/A ARG 656.A NH1 ILE 700.A O no hydrogen 3.560 N/A ARG 656.A NH1 SER 720.A OG no hydrogen 3.060 N/A ARG 656.A NH2 ILE 700.A O no hydrogen 2.931 N/A ARG 656.A NH2 SER 702.A OG no hydrogen 2.985 N/A ASN 657.A ND2 PHE 706.A O no hydrogen 3.053 N/A GLY 658.A N ALA 653.A O no hydrogen 2.658 N/A VAL 659.A N ILE 564.A O no hydrogen 2.916 N/A ASN 660.A N THR 701.A O no hydrogen 2.815 N/A ASN 660.A ND2 HIS 524.A O no hydrogen 3.097 N/A ASN 660.A ND2 THR 563.A OG1 no hydrogen 3.058 N/A VAL 661.A N TYR 562.A O no hydrogen 2.748 N/A ILE 662.A N ILE 699.A O no hydrogen 2.904 N/A SER 663.A N THR 560.A O no hydrogen 2.910 N/A SER 663.A OG SER 698.A OG no hydrogen 2.830 N/A GLY 664.A N TYR 697.A O no hydrogen 3.083 N/A ILE 666.A N HIS 695.A O no hydrogen 2.857 N/A ASP 668.A N THR 694.A OG1 no hydrogen 3.056 N/A TYR 669.A N ASP 676.A OD2 no hydrogen 2.612 N/A TYR 669.A OH VAL 692.A O no hydrogen 2.517 N/A TYR 671.A N ASP 668.A O no hydrogen 3.154 N/A ASN 672.A N ASP 668.A OD1 no hydrogen 3.230 N/A GLY 673.A N ASP 668.A OD2 no hydrogen 2.931 N/A LEU 674.A N ASN 672.A OD1 no hydrogen 3.004 N/A ARG 675.A N HIS 760.A O no hydrogen 2.912 N/A ASP 676.A N PHE 667.A O no hydrogen 2.930 N/A ILE 677.A N GLU 680.A OE1 no hydrogen 3.073 N/A GLU 680.A N ILE 677.A O no hydrogen 2.842 N/A ILE 681.A N GLU 678.A O no hydrogen 3.229 N/A LYS 682.A NZ ASP 679.A O no hydrogen 3.108 N/A GLN 683.A NE2 TYR 634.A OH no hydrogen 2.692 N/A VAL 685.A N ILE 690.A O no hydrogen 2.846 N/A GLU 686.A N ASP 601.A OD2 no hydrogen 2.857 N/A SER 688.A N VAL 685.A O no hydrogen 2.922 N/A SER 688.A OG VAL 685.A O no hydrogen 2.782 N/A ILE 690.A N SER 688.A OG no hydrogen 2.961 N/A VAL 692.A N GLN 683.A O no hydrogen 2.945 N/A THR 694.A N ILE 666.A O no hydrogen 2.891 N/A THR 694.A OG1 ILE 666.A O no hydrogen 3.270 N/A THR 694.A OG1 HIS 695.A ND1 no hydrogen 2.761 N/A HIS 695.A N ILE 666.A O no hydrogen 3.260 N/A HIS 695.A ND1 THR 694.A OG1 no hydrogen 2.761 N/A TYR 696.A N LEU 724.A O no hydrogen 2.966 N/A TYR 696.A OH PRO 632.A O no hydrogen 2.639 N/A TYR 697.A N GLY 664.A O no hydrogen 2.777 N/A TYR 697.A OH LEU 558.A O no hydrogen 2.802 N/A SER 698.A N PHE 722.A O no hydrogen 3.157 N/A SER 698.A OG SER 663.A OG no hydrogen 2.830 N/A ILE 699.A N ILE 662.A O no hydrogen 2.794 N/A ILE 700.A N SER 720.A O no hydrogen 2.802 N/A THR 701.A N ASN 660.A O no hydrogen 2.846 N/A THR 701.A OG1 TYR 767.A OH no hydrogen 2.753 N/A SER 702.A N SER 718.A O no hydrogen 2.866 N/A CYS 703.A SG ASP 705.A O no hydrogen 3.402 N/A CYS 703.A SG GLN 708.A OE1 no hydrogen 3.710 N/A LEU 704.A N PRO 716.A O no hydrogen 2.889 N/A THR 707.A N ASP 705.A OD1 no hydrogen 3.096 N/A THR 707.A OG1 ASP 705.A OD1 no hydrogen 2.733 N/A THR 707.A OG1 ASP 705.A OD2 no hydrogen 3.353 N/A GLN 708.A N ASP 705.A O no hydrogen 3.091 N/A GLN 708.A NE2 ASP 714.A OD1 no hydrogen 3.377 N/A ALA 710.A N ASN 657.A O no hydrogen 3.109 N/A LYS 712.A N PRO 709.A O no hydrogen 2.941 N/A CYS 713.A SG GLY 715.A O no hydrogen 3.650 N/A CYS 713.A SG PRO 716.A O no hydrogen 3.631 N/A ASP 714.A N GLN 708.A OE1 no hydrogen 2.910 N/A SER 718.A N SER 702.A O no hydrogen 2.878 N/A SER 720.A N ILE 700.A O no hydrogen 2.948 N/A PHE 722.A N SER 698.A O no hydrogen 2.948 N/A ILE 723.A N HIS 751.A O no hydrogen 3.048 N/A LEU 724.A N TYR 696.A O no hydrogen 2.862 N/A HIS 726.A N THR 694.A O no hydrogen 2.664 N/A HIS 726.A ND1 PRO 693.A O no hydrogen 2.768 N/A ASN 730.A ND2 ALA 636.A O no hydrogen 3.091 N/A ASP 731.A N ASP 729.A OD1 no hydrogen 2.936 N/A SER 733.A N ASN 730.A O no hydrogen 2.943 N/A SER 736.A N SER 733.A O no hydrogen 3.071 N/A SER 736.A OG ASN 730.A O no hydrogen 3.537 N/A SER 736.A OG SER 733.A O no hydrogen 3.249 N/A GLU 738.A N ASN 735.A O no hydrogen 2.975 N/A GLU 740.A N GLU 740.A OE1 no hydrogen 2.750 N/A SER 741.A N ASP 739.A OD2 no hydrogen 3.081 N/A SER 741.A OG ASP 739.A OD2 no hydrogen 2.699 N/A LYS 742.A N ASP 739.A O no hydrogen 2.652 N/A TRP 743.A N GLU 740.A O no hydrogen 3.217 N/A TRP 743.A NE1 GLU 738.A O no hydrogen 3.011 N/A VAL 744.A N GLU 740.A O no hydrogen 3.017 N/A LEU 747.A N TRP 743.A O no hydrogen 3.183 N/A MET 748.A N VAL 744.A O no hydrogen 2.979 N/A LYS 749.A N GLU 745.A O no hydrogen 2.926 N/A MET 750.A N GLU 746.A O no hydrogen 3.355 N/A HIS 751.A N LEU 747.A O no hydrogen 3.255 N/A HIS 751.A N MET 748.A O no hydrogen 2.936 N/A HIS 751.A NE2 GLU 732.A OE2 no hydrogen 2.857 N/A THR 752.A N LYS 749.A O no hydrogen 3.339 N/A THR 752.A OG1 SER 721.A O no hydrogen 3.494 N/A THR 752.A OG1 HIS 785.A O no hydrogen 2.619 N/A ALA 753.A N SER 721.A O no hydrogen 3.005 N/A ARG 754.A N ASP 757.A OD2 no hydrogen 2.876 N/A ARG 754.A NE ASP 757.A OD1 no hydrogen 3.080 N/A ARG 754.A NE ASP 757.A OD2 no hydrogen 3.373 N/A ARG 754.A NH2 ASP 757.A OD1 no hydrogen 2.871 N/A ARG 756.A N LYS 781.A O no hydrogen 2.914 N/A ARG 756.A NE THR 467.A OG1 no hydrogen 2.919 N/A ARG 756.A NH1 GLU 759.A OE1 no hydrogen 2.916 N/A ASP 757.A N ARG 754.A O no hydrogen 2.972 N/A ILE 758.A N ARG 754.A O no hydrogen 3.408 N/A GLU 759.A N VAL 755.A O no hydrogen 2.886 N/A HIS 760.A N ARG 756.A O no hydrogen 3.106 N/A LEU 761.A N ASP 757.A O no hydrogen 3.129 N/A THR 762.A N GLU 759.A O no hydrogen 3.299 N/A THR 762.A OG1 ILE 758.A O no hydrogen 2.865 N/A GLY 763.A N GLU 759.A O no hydrogen 2.884 N/A LEU 764.A N THR 762.A OG1 no hydrogen 3.202 N/A ASP 765.A N ALA 531.A O no hydrogen 2.862 N/A PHE 766.A N GLU 759.A OE2 no hydrogen 2.906 N/A TYR 767.A OH THR 701.A OG1 no hydrogen 2.753 N/A ARG 768.A NH1 PRO 485.A O no hydrogen 2.814 N/A ARG 768.A NH1 ASP 765.A OD1 no hydrogen 2.952 N/A ARG 768.A NH2 PRO 485.A O no hydrogen 3.116 N/A LYS 769.A N TYR 527.A O no hydrogen 2.959 N/A ARG 772.A N THR 770.A OG1 no hydrogen 3.144 N/A ARG 772.A NH2 GLU 776.A OE2 no hydrogen 3.048 N/A SER 773.A N GLU 776.A OE1 no hydrogen 2.961 N/A GLU 776.A N SER 773.A OG no hydrogen 2.967 N/A ILE 777.A N SER 773.A O no hydrogen 3.106 N/A LEU 778.A N TYR 774.A O no hydrogen 2.967 N/A THR 779.A N SER 775.A O no hydrogen 3.086 N/A THR 779.A OG1 SER 470.A O no hydrogen 2.775 N/A THR 779.A OG1 SER 775.A O no hydrogen 3.137 N/A LEU 780.A N GLU 776.A O no hydrogen 2.991 N/A LYS 781.A N ILE 777.A O no hydrogen 2.893 N/A LYS 781.A NZ GLU 759.A OE2 no hydrogen 2.884 N/A LYS 781.A NZ ASP 765.A OD2 no hydrogen 3.233 N/A LYS 781.A NZ PHE 766.A O no hydrogen 3.442 N/A THR 782.A N LEU 778.A O no hydrogen 3.155 N/A THR 782.A N THR 779.A O no hydrogen 3.186 N/A THR 782.A OG1 LEU 778.A O no hydrogen 3.423 N/A THR 782.A OG1 THR 779.A O no hydrogen 2.919 N/A TYR 783.A N LEU 780.A O no hydrogen 3.236 N/A