Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dt7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LEU 22.A O no hydrogen 2.778 N/A GLY 1.A N ASP 23.A O no hydrogen 2.994 N/A GLY 1.A N LEU 25.A O no hydrogen 2.623 N/A SER 2.A OG GLN 27.A OE1 no hydrogen 3.021 N/A LEU 11.A N GLN 6.A OE1 no hydrogen 2.771 N/A ASP 12.A N GLN 6.A OE1 no hydrogen 2.973 N/A PHE 13.A N GLU 34.A OE1 no hydrogen 2.802 N/A SER 14.A N ASP 12.A OD1 no hydrogen 2.983 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 2.608 N/A LYS 16.A N PHE 13.A O no hydrogen 2.946 N/A VAL 17.A N SER 14.A O no hydrogen 3.096 N/A ILE 18.A N ILE 45.A O no hydrogen 2.773 N/A GLN 19.A NE2 ILE 47.A O no hydrogen 2.990 N/A GLN 19.A NE2 GLU 54.A OE1 no hydrogen 2.662 N/A SER 24.A N SER 21.A O no hydrogen 3.144 N/A SER 24.A N SER 21.A OG no hydrogen 3.297 N/A SER 24.A OG.B SER 21.A O no hydrogen 3.218 N/A LEU 25.A N LEU 22.A O no hydrogen 3.319 N/A ARG 30.A N PRO 26.A O no hydrogen 2.964 N/A ARG 30.A NE GLU 34.A OE2 no hydrogen 2.821 N/A ARG 30.A NH1 GLY 1.A O no hydrogen 2.911 N/A ARG 30.A NH1 ASP 23.A OD1 no hydrogen 3.024 N/A ARG 30.A NH2 GLU 34.A OE1 no hydrogen 2.973 N/A LYS 31.A N GLN 27.A O no hydrogen 3.030 N/A PHE 32.A N GLU 28.A O no hydrogen 3.076 N/A VAL 33.A N VAL 29.A O no hydrogen 2.893 N/A GLU 34.A N ARG 30.A O no hydrogen 2.803 N/A GLY 35.A N LYS 31.A O no hydrogen 2.897 N/A ASN 36.A N PHE 32.A O no hydrogen 3.251 N/A ASN 36.A ND2 PHE 32.A O no hydrogen 3.071 N/A ALA 37.A N VAL 33.A O no hydrogen 2.823 N/A GLN 38.A N GLU 34.A O no hydrogen 2.919 N/A GLN 38.A NE2 LEU 11.A O no hydrogen 2.920 N/A LEU 39.A N GLY 35.A O no hydrogen 3.231 N/A CYS 40.A N ASN 36.A O no hydrogen 2.750 N/A CYS 40.A SG PHE 132.A O no hydrogen 3.973 N/A GLN 41.A N ALA 37.A O no hydrogen 2.832 N/A GLU 43.A N ARG 139.A O no hydrogen 2.818 N/A TYR 44.A N ARG 139.A O no hydrogen 3.448 N/A ILE 45.A N LYS 16.A O no hydrogen 2.921 N/A HIS 46.A N MET 141.A O no hydrogen 2.885 N/A HIS 46.A NE2 GLU 54.A OE1 no hydrogen 2.837 N/A ILE 47.A N GLN 19.A O no hydrogen 2.898 N/A CYS 48.A N VAL 143.A O no hydrogen 2.837 N/A CYS 48.A SG VAL 143.A O no hydrogen 3.403 N/A ASP 49.A N GLU 54.A OE1 no hydrogen 2.931 N/A GLY 50.A N GLU 54.A OE2 no hydrogen 2.789 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.883 N/A SER 51.A OG ASP 49.A OD1 no hydrogen 2.692 N/A SER 51.A OG ASP 49.A OD2 no hydrogen 3.386 N/A GLU 53.A N GLU 53.A OE2 no hydrogen 2.721 N/A GLU 54.A N SER 51.A OG no hydrogen 3.078 N/A TYR 55.A N SER 51.A O no hydrogen 3.170 N/A GLY 56.A N GLU 52.A O no hydrogen 2.870 N/A ARG 57.A N GLU 53.A O no hydrogen 3.095 N/A LEU 58.A N GLU 54.A O no hydrogen 2.916 N/A LEU 59.A N TYR 55.A O no hydrogen 2.931 N/A ALA 60.A N GLY 56.A O no hydrogen 2.936 N/A HIS 61.A N ARG 57.A O no hydrogen 2.923 N/A HIS 61.A ND1 GLU 64.A OE1.A no hydrogen 3.065 N/A MET 62.A N LEU 58.A O no hydrogen 2.927 N/A GLN 63.A N LEU 59.A O no hydrogen 2.911 N/A GLU 64.A N ALA 60.A O no hydrogen 2.929 N/A GLU 65.A N HIS 61.A O no hydrogen 3.061 N/A GLY 66.A N GLN 63.A O no hydrogen 3.039 N/A VAL 67.A N MET 62.A O no hydrogen 2.859 N/A ILE 68.A N MET 62.A O no hydrogen 3.409 N/A ARG 69.A N LEU 79.A O no hydrogen 2.846 N/A ARG 69.A NE GLU 364.A OE1 no hydrogen 2.823 N/A ARG 69.A NH2 GLU 364.A OE1 no hydrogen 3.556 N/A ARG 69.A NH2 GLU 364.A OE2 no hydrogen 2.831 N/A LEU 71.A N CYS 77.A O no hydrogen 2.881 N/A LYS 73.A N GLY 368.A O no hydrogen 3.012 N/A LYS 73.A NZ.A ASP 367.A OD1 no hydrogen 3.154 N/A LYS 73.A NZ.B ASP 367.A OD1 no hydrogen 3.095 N/A TYR 74.A N LEU 71.A O no hydrogen 3.189 N/A CYS 77.A SG ASP 75.A O no hydrogen 3.581 N/A CYS 77.A SG ILE 353.A O no hydrogen 3.726 N/A TRP 78.A N THR 357.A O no hydrogen 2.974 N/A LEU 79.A N ARG 69.A O no hydrogen 2.858 N/A ALA 80.A N PHE 359.A O no hydrogen 2.822 N/A THR 82.A N ASN 361.A OD1 no hydrogen 2.853 N/A THR 82.A OG1 ASP 83.A O no hydrogen 3.014 N/A THR 82.A OG1 ASP 86.A O no hydrogen 3.048 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 2.882 N/A ARG 85.A NE ASP 83.A OD1 no hydrogen 2.996 N/A ARG 85.A NE ASP 83.A OD2 no hydrogen 3.393 N/A ARG 85.A NH2 ASP 83.A OD2 no hydrogen 2.757 N/A ASP 86.A N ASP 83.A O no hydrogen 2.888 N/A ARG 89.A NH1 GLU 91.A OE2 no hydrogen 2.917 N/A GLU 91.A N GLU 471.A OE1 no hydrogen 2.769 N/A SER 92.A N GLU 471.A OE2 no hydrogen 2.836 N/A SER 92.A OG GLU 471.A OE2 no hydrogen 3.361 N/A LYS 93.A N ILE 90.A O no hydrogen 3.223 N/A THR 94.A N GLU 91.A O no hydrogen 3.123 N/A THR 94.A OG1 ILE 90.A O no hydrogen 2.758 N/A VAL 95.A N ILE 221.A O no hydrogen 2.870 N/A ILE 96.A N ARG 117.A O no hydrogen 2.951 N/A ILE 97.A N HIS 223.A O no hydrogen 2.862 N/A THR 98.A OG1 GLU 100.A O no hydrogen 2.768 N/A THR 98.A OG1 THR 104.A OG1 no hydrogen 2.833 N/A ARG 102.A NE ASP 605.A OD1 no hydrogen 3.168 N/A ARG 102.A NE ASP 605.A OD2 no hydrogen 3.015 N/A ARG 102.A NH2 ASP 605.A OD1 no hydrogen 2.776 N/A ASP 103.A N GLU 100.A O no hydrogen 3.099 N/A THR 104.A N GLN 101.A O no hydrogen 2.923 N/A THR 104.A OG1 THR 98.A OG1 no hydrogen 2.833 N/A VAL 105.A N GLN 101.A O no hydrogen 3.032 N/A LYS 109.A N ASP 600.A O no hydrogen 2.772 N/A LYS 109.A NZ GLU 599.A OE1.B no hydrogen 2.424 N/A LYS 109.A NZ GLU 599.A OE2.A no hydrogen 3.206 N/A SER 110.A N ASP 600.A OD2 no hydrogen 2.620 N/A SER 110.A OG ASP 600.A OD1 no hydrogen 3.018 N/A SER 110.A OG ASP 600.A OD2 no hydrogen 3.128 N/A GLY 111.A N PRO 108.A O no hydrogen 3.161 N/A GLN 114.A N GLN 601.A OE1 no hydrogen 2.747 N/A LEU 115.A N SER 113.A OG no hydrogen 2.960 N/A ARG 117.A NE.B SER 92.A O no hydrogen 3.556 N/A ARG 117.A NH2.B TRP 118.A O no hydrogen 3.277 N/A TRP 118.A NE1 THR 98.A O no hydrogen 2.850 N/A MET 119.A N ILE 96.A O no hydrogen 3.058 N/A SER 120.A OG GLU 122.A OE1 no hydrogen 3.384 N/A ASP 123.A N SER 120.A OG no hydrogen 3.038 N/A PHE 124.A N SER 120.A O no hydrogen 2.856 N/A GLU 125.A N GLU 121.A O no hydrogen 2.919 N/A LYS 126.A N GLU 122.A O no hydrogen 3.318 N/A ALA 127.A N ASP 123.A O no hydrogen 3.053 N/A PHE 128.A N PHE 124.A O no hydrogen 2.798 N/A ASN 129.A N GLU 125.A O no hydrogen 2.910 N/A ALA 130.A N LYS 126.A O no hydrogen 3.130 N/A ALA 130.A N ALA 127.A O no hydrogen 3.246 N/A ARG 131.A N PHE 128.A O no hydrogen 3.080 N/A ARG 131.A NE LEU 218.A O no hydrogen 2.756 N/A ARG 131.A NH1 ALA 127.A O no hydrogen 2.891 N/A PHE 132.A N PHE 128.A O no hydrogen 2.991 N/A GLY 134.A N LEU 39.A O no hydrogen 2.958 N/A CYS 135.A N PHE 132.A O no hydrogen 2.916 N/A CYS 135.A SG PHE 132.A O no hydrogen 3.244 N/A CYS 135.A SG SER 197.A OG no hydrogen 3.436 N/A MET 136.A N CYS 40.A O no hydrogen 2.876 N/A LYS 137.A N GLY 134.A O no hydrogen 3.214 N/A ARG 139.A N MET 136.A O no hydrogen 2.890 N/A ARG 139.A NE CYS 200.A O no hydrogen 2.926 N/A ARG 139.A NH2 CYS 200.A O no hydrogen 2.791 N/A MET 141.A N TYR 44.A O no hydrogen 2.814 N/A TYR 142.A N THR 163.A O no hydrogen 2.771 N/A VAL 143.A N HIS 46.A O no hydrogen 2.804 N/A ILE 144.A N GLU 161.A O no hydrogen 2.746 N/A PHE 146.A N GLY 159.A O no hydrogen 2.894 N/A SER 147.A N ARG 177.A O no hydrogen 2.718 N/A SER 147.A OG GLY 149.A O no hydrogen 2.747 N/A MET 148.A N LYS 157.A O no hydrogen 2.849 N/A GLY 149.A N PRO 330.A O no hydrogen 2.780 N/A SER 153.A N PRO 150.A O no hydrogen 3.055 N/A LEU 155.A N SER 153.A OG no hydrogen 3.113 N/A ALA 156.A N SER 153.A O no hydrogen 3.323 N/A LYS 157.A N MET 148.A O no hydrogen 2.981 N/A GLY 159.A N PHE 146.A O no hydrogen 2.846 N/A ILE 160.A N ILE 192.A O no hydrogen 3.017 N/A GLU 161.A N ILE 144.A O no hydrogen 2.900 N/A LEU 162.A N CYS 194.A O no hydrogen 2.805 N/A THR 163.A N TYR 142.A O no hydrogen 3.061 N/A THR 163.A OG1 HIS 196.A ND1 no hydrogen 2.750 N/A SER 165.A N THR 163.A OG1 no hydrogen 3.043 N/A TYR 167.A OH THR 360.A OG1 no hydrogen 2.596 N/A VAL 168.A N SER 165.A OG no hydrogen 3.170 N/A VAL 169.A N SER 165.A O no hydrogen 3.195 N/A ALA 170.A N PRO 166.A O no hydrogen 2.967 N/A SER 171.A N TYR 167.A O no hydrogen 2.997 N/A SER 171.A OG TYR 167.A O no hydrogen 2.993 N/A MET 172.A N VAL 168.A O no hydrogen 2.761 N/A ARG 173.A N VAL 169.A O no hydrogen 2.971 N/A ARG 173.A NE GLY 50.A O no hydrogen 3.138 N/A ARG 173.A NH2 GLY 50.A O no hydrogen 2.972 N/A ILE 174.A N SER 171.A O no hydrogen 3.142 N/A MET 175.A N SER 171.A O no hydrogen 2.895 N/A THR 176.A N MET 172.A O no hydrogen 2.934 N/A THR 176.A OG1 MET 172.A O no hydrogen 2.766 N/A ARG 177.A N SER 147.A O no hydrogen 3.349 N/A ARG 177.A NH1 GLU 331.A O no hydrogen 3.110 N/A ARG 177.A NH2 GLU 423.A OE1 no hydrogen 2.779 N/A GLY 179.A N PRO 145.A O no hydrogen 2.956 N/A THR 180.A N ASP 49.A O no hydrogen 2.990 N/A VAL 182.A N GLY 179.A O no hydrogen 2.985 N/A LEU 183.A N GLY 179.A O no hydrogen 3.498 N/A GLU 184.A N THR 180.A O no hydrogen 3.110 N/A ALA 185.A N SER 181.A O no hydrogen 2.932 N/A LEU 186.A N VAL 182.A O no hydrogen 2.815 N/A GLY 187.A N LEU 183.A O no hydrogen 3.189 N/A GLY 189.A N LEU 186.A O no hydrogen 2.863 N/A ILE 192.A N ILE 158.A O no hydrogen 3.043 N/A LYS 193.A N ARG 228.A O no hydrogen 3.014 N/A CYS 194.A N ILE 160.A O no hydrogen 2.835 N/A CYS 194.A SG ILE 192.A O no hydrogen 3.885 N/A LEU 195.A N ILE 230.A O no hydrogen 2.852 N/A HIS 196.A N LEU 162.A O no hydrogen 2.741 N/A HIS 196.A ND1 THR 163.A OG1 no hydrogen 2.750 N/A HIS 196.A NE2 SER 235.A O no hydrogen 2.797 N/A SER 197.A N SER 232.A O no hydrogen 3.074 N/A SER 197.A OG ASP 164.A OD2 no hydrogen 2.715 N/A VAL 198.A N ASP 164.A OD1 no hydrogen 2.875 N/A GLY 199.A N SER 197.A OG no hydrogen 2.921 N/A CYS 200.A SG VAL 198.A O no hydrogen 3.848 N/A CYS 200.A SG CYS 214.A O no hydrogen 3.059 N/A LEU 202.A N LYS 137.A O no hydrogen 2.904 N/A TRP 212.A N VAL 209.A O no hydrogen 2.978 N/A TRP 212.A NE1 ASP 86.A OD2 no hydrogen 2.746 N/A CYS 214.A SG ASP 83.A OD2 no hydrogen 3.522 N/A CYS 214.A SG TRP 212.A O no hydrogen 3.905 N/A ASN 215.A N GLY 234.A O no hydrogen 2.758 N/A GLU 217.A N GLU 217.A OE2 no hydrogen 2.753 N/A LEU 218.A N ASN 215.A O no hydrogen 3.214 N/A THR 219.A N PRO 216.A O no hydrogen 3.169 N/A THR 219.A OG1 ASN 215.A O no hydrogen 2.908 N/A THR 219.A OG1 PRO 216.A O no hydrogen 3.431 N/A LEU 220.A N PHE 233.A O no hydrogen 2.930 N/A ILE 221.A N LYS 93.A O no hydrogen 2.826 N/A ALA 222.A N ILE 231.A O no hydrogen 2.819 N/A HIS 223.A N VAL 95.A O no hydrogen 2.888 N/A HIS 223.A ND1 VAL 95.A O no hydrogen 2.829 N/A LEU 224.A N GLU 229.A O no hydrogen 2.797 N/A ARG 227.A NE.A GLU 229.A OE2 no hydrogen 3.221 N/A ARG 227.A NE.B GLU 121.A OE1 no hydrogen 2.993 N/A ARG 227.A NH1.A GLU 125.A OE2.A no hydrogen 3.559 N/A ARG 227.A NH2.A GLU 229.A OE2 no hydrogen 3.507 N/A ARG 227.A NH2.B GLU 121.A OE1 no hydrogen 3.056 N/A ARG 228.A N PRO 225.A O no hydrogen 3.091 N/A ARG 228.A NH1 PHE 191.A O no hydrogen 2.812 N/A GLU 229.A N LEU 224.A O no hydrogen 3.137 N/A ILE 230.A N LYS 193.A O no hydrogen 2.863 N/A ILE 231.A N ALA 222.A O no hydrogen 2.842 N/A SER 232.A N LEU 195.A O no hydrogen 2.828 N/A SER 232.A OG ASN 240.A O no hydrogen 2.645 N/A PHE 233.A N LEU 220.A O no hydrogen 2.880 N/A GLY 234.A N SER 197.A O no hydrogen 2.813 N/A SER 235.A OG ASP 86.A OD1 no hydrogen 2.485 N/A SER 235.A OG ASP 86.A OD2 no hydrogen 3.491 N/A SER 235.A OG ASN 240.A OD1 no hydrogen 2.838 N/A GLY 236.A N ASP 86.A OD2 no hydrogen 2.722 N/A TYR 237.A N SER 235.A OG no hydrogen 3.107 N/A TYR 237.A OH ASN 405.A O no hydrogen 2.764 N/A ASN 240.A N TYR 237.A O no hydrogen 2.781 N/A SER 241.A N GLY 238.A O no hydrogen 2.961 N/A SER 241.A OG GLY 236.A O no hydrogen 2.880 N/A SER 241.A OG GLY 238.A O no hydrogen 3.505 N/A LEU 242.A N GLY 238.A O no hydrogen 2.834 N/A LEU 243.A N GLU 161.A OE1 no hydrogen 3.037 N/A LYS 245.A N LEU 242.A O no hydrogen 3.212 N/A LYS 245.A NZ ASP 313.A OD2 no hydrogen 2.838 N/A LYS 245.A NZ GLU 331.A OE2 no hydrogen 2.715 N/A LYS 246.A NZ ASP 313.A OD1 no hydrogen 3.217 N/A LYS 246.A NZ ASP 313.A OD2 no hydrogen 2.744 N/A CYS 247.A SG HIS 223.A NE2 no hydrogen 3.327 N/A CYS 247.A SG GLY 239.A O no hydrogen 3.799 N/A PHE 248.A N LEU 243.A O no hydrogen 2.981 N/A ALA 249.A N GLY 244.A O no hydrogen 2.967 N/A LEU 250.A N LYS 246.A O no hydrogen 3.197 N/A ARG 251.A N LYS 246.A O no hydrogen 2.914 N/A ARG 251.A NE PRO 486.A O no hydrogen 2.955 N/A ARG 251.A NH1 HIS 223.A NE2 no hydrogen 3.053 N/A ARG 251.A NH2 PRO 486.A O no hydrogen 2.930 N/A ILE 252.A N CYS 247.A O no hydrogen 2.998 N/A ALA 253.A N PHE 248.A O no hydrogen 2.880 N/A SER 254.A N LEU 250.A O no hydrogen 2.831 N/A SER 254.A OG LEU 250.A O no hydrogen 2.825 N/A SER 254.A OG ARG 251.A O no hydrogen 3.187 N/A ARG 255.A N ILE 252.A O no hydrogen 3.208 N/A LEU 256.A N ILE 252.A O no hydrogen 3.143 N/A ALA 257.A N ALA 253.A O no hydrogen 2.719 N/A LYS 258.A N SER 254.A O no hydrogen 3.016 N/A LYS 258.A NZ.B LYS 494.A O no hydrogen 2.838 N/A GLU 259.A N ARG 255.A O no hydrogen 3.112 N/A GLU 260.A N LEU 256.A O no hydrogen 2.901 N/A GLU 260.A N ALA 257.A O no hydrogen 3.308 N/A GLY 261.A N ALA 257.A O no hydrogen 2.821 N/A TRP 262.A N ALA 257.A O no hydrogen 3.004 N/A TRP 262.A NE1 GLU 260.A OE1 no hydrogen 2.831 N/A LEU 263.A N MET 317.A O no hydrogen 2.818 N/A GLU 265.A N ALA 315.A O no hydrogen 2.900 N/A HIS 266.A ND1 ALA 483.A O no hydrogen 2.803 N/A LEU 268.A N ALA 284.A O no hydrogen 2.976 N/A ILE 269.A N GLY 311.A O no hydrogen 3.010 N/A LEU 270.A N LEU 282.A O no hydrogen 2.975 N/A GLY 271.A N GLU 308.A O no hydrogen 2.794 N/A ILE 272.A N LYS 280.A O no hydrogen 2.806 N/A THR 273.A N LYS 306.A O no hydrogen 2.831 N/A ASN 274.A N LYS 278.A O no hydrogen 2.855 N/A GLU 276.A N ASN 274.A OD1 no hydrogen 2.950 N/A GLY 277.A N ASN 274.A O no hydrogen 3.132 N/A LYS 278.A N ASN 274.A OD1 no hydrogen 2.983 N/A LYS 278.A NZ GLU 276.A O no hydrogen 3.028 N/A LYS 279.A NZ GLU 308.A OE1 no hydrogen 2.700 N/A LYS 279.A NZ ASP 419.A OD1 no hydrogen 2.673 N/A LYS 280.A N ILE 272.A O no hydrogen 2.916 N/A LYS 280.A NZ GLU 431.A OE1 no hydrogen 2.819 N/A TYR 281.A OH ASP 419.A OD1 no hydrogen 3.186 N/A TYR 281.A OH ASP 419.A OD2 no hydrogen 2.693 N/A LEU 282.A N LEU 270.A O no hydrogen 2.920 N/A ALA 283.A N GLY 432.A O no hydrogen 2.995 N/A ALA 284.A N LEU 268.A O no hydrogen 3.090 N/A ALA 285.A N ILE 434.A O no hydrogen 2.853 N/A CYS 290.A SG SER 288.A O no hydrogen 3.449 N/A CYS 290.A SG SER 464.A OG no hydrogen 3.495 N/A LYS 292.A NZ HIS 266.A NE2 no hydrogen 3.204 N/A LYS 292.A NZ PHE 286.A O no hydrogen 2.863 N/A THR 293.A OG1 ASP 312.A OD2 no hydrogen 2.609 N/A LEU 295.A N GLY 291.A O no hydrogen 2.943 N/A ALA 296.A N LYS 292.A O no hydrogen 2.737 N/A MET 297.A N THR 293.A O no hydrogen 3.326 N/A MET 298.A N LEU 295.A O no hydrogen 3.120 N/A THR 301.A N GLY 533.A O no hydrogen 3.233 N/A THR 301.A OG1 GLY 533.A O no hydrogen 3.341 N/A THR 301.A OG1 GLU 534.A OE1 no hydrogen 2.709 N/A TRP 305.A N LEU 302.A O no hydrogen 3.454 N/A LYS 306.A N THR 273.A O no hydrogen 3.025 N/A GLU 308.A N GLY 271.A O no hydrogen 2.740 N/A CYS 309.A N ILE 417.A O no hydrogen 2.885 N/A VAL 310.A N ILE 269.A O no hydrogen 2.944 N/A GLY 311.A N ILE 269.A O no hydrogen 3.158 N/A ALA 315.A N GLU 265.A O no hydrogen 2.853 N/A TRP 316.A N ILE 328.A O no hydrogen 2.895 N/A TRP 316.A NE1 ALA 249.A O no hydrogen 2.978 N/A MET 317.A N LEU 263.A O no hydrogen 2.823 N/A LYS 318.A N ARG 326.A O no hydrogen 2.913 N/A ASP 320.A N ASN 324.A O no hydrogen 2.802 N/A GLN 322.A N ASP 320.A OD1 no hydrogen 2.899 N/A GLY 323.A N ASP 320.A O no hydrogen 2.861 N/A ASN 324.A N ASP 320.A OD1 no hydrogen 2.930 N/A ARG 326.A N LYS 318.A O no hydrogen 2.804 N/A ALA 327.A N VAL 428.A O no hydrogen 2.811 N/A ILE 328.A N TRP 316.A O no hydrogen 2.814 N/A ASN 329.A ND2 VAL 310.A O no hydrogen 2.951 N/A GLU 331.A N ASN 329.A OD1 no hydrogen 2.881 N/A ASN 332.A N MET 175.A O no hydrogen 2.928 N/A ASN 332.A ND2 THR 176.A O no hydrogen 3.023 N/A PHE 334.A N THR 410.A O no hydrogen 2.865 N/A GLY 336.A N PHE 408.A O no hydrogen 2.877 N/A ALA 338.A N SER 406.A O no hydrogen 2.866 N/A GLY 340.A N GLU 373.A O no hydrogen 2.801 N/A THR 341.A N ALA 338.A O no hydrogen 2.949 N/A THR 341.A OG1 VAL 337.A O no hydrogen 3.282 N/A THR 341.A OG1 ALA 338.A O no hydrogen 2.858 N/A SER 342.A N THR 345.A OG1 no hydrogen 3.042 N/A SER 342.A OG THR 345.A OG1 no hydrogen 3.237 N/A LYS 344.A N SER 342.A OG no hydrogen 3.109 N/A THR 345.A N SER 342.A OG no hydrogen 3.094 N/A THR 345.A OG1 GLY 340.A O no hydrogen 2.783 N/A THR 345.A OG1 SER 342.A OG no hydrogen 3.237 N/A ASN 346.A N SER 342.A O no hydrogen 2.865 N/A ASN 346.A ND2 ASN 294.A OD1.A no hydrogen 3.463 N/A ASN 348.A ND2 MET 297.A O no hydrogen 2.992 N/A ALA 349.A N ASN 346.A OD1 no hydrogen 3.109 N/A ILE 350.A N ASN 346.A O no hydrogen 3.162 N/A LYS 351.A N PRO 347.A O no hydrogen 3.068 N/A THR 352.A N ASN 348.A O no hydrogen 3.079 N/A THR 352.A OG1 ASN 348.A O no hydrogen 2.625 N/A ILE 353.A N ALA 349.A O no hydrogen 3.059 N/A ASN 356.A N ASP 75.A O no hydrogen 2.930 N/A ASN 356.A ND2 GLN 414.A OE1 no hydrogen 2.898 N/A THR 357.A OG1 LYS 355.A O no hydrogen 2.801 N/A THR 357.A OG1 THR 410.A OG1 no hydrogen 2.750 N/A ILE 358.A N CYS 409.A O no hydrogen 3.060 N/A PHE 359.A N TRP 78.A O no hydrogen 2.786 N/A THR 360.A N ARG 407.A O no hydrogen 2.826 N/A THR 360.A OG1 TYR 167.A OH no hydrogen 2.596 N/A ASN 361.A N ALA 80.A O no hydrogen 2.887 N/A ASN 361.A ND2 THR 82.A OG1 no hydrogen 2.851 N/A ALA 363.A N TYR 371.A O no hydrogen 2.975 N/A GLU 364.A N THR 386.A O no hydrogen 2.876 N/A THR 365.A N GLY 369.A O no hydrogen 2.903 N/A THR 365.A OG1 ASP 367.A OD2 no hydrogen 2.628 N/A SER 366.A N THR 384.A O no hydrogen 2.789 N/A GLY 368.A N THR 365.A O no hydrogen 2.864 N/A GLY 369.A N THR 365.A OG1 no hydrogen 2.907 N/A VAL 370.A N TYR 74.A OH no hydrogen 3.207 N/A TYR 371.A N ALA 363.A O no hydrogen 2.960 N/A TYR 371.A OH GLU 377.A O no hydrogen 2.636 N/A TRP 372.A NE1 THR 341.A O no hydrogen 2.818 N/A ILE 375.A N TRP 372.A O no hydrogen 3.105 N/A VAL 383.A N ALA 380.A O no hydrogen 3.048 N/A THR 384.A N SER 366.A OG no hydrogen 3.012 N/A THR 386.A N GLU 364.A O no hydrogen 2.818 N/A THR 386.A OG1 GLU 392.A OE1 no hydrogen 2.910 N/A SER 387.A N LYS 391.A O no hydrogen 2.747 N/A SER 387.A OG LYS 391.A O no hydrogen 3.405 N/A TRP 388.A N CYS 401.A O no hydrogen 2.877 N/A LYS 389.A N SER 387.A OG no hydrogen 3.116 N/A ASN 390.A N SER 387.A O no hydrogen 2.956 N/A TRP 393.A N ILE 385.A O no hydrogen 2.994 N/A TRP 393.A NE1 GLU 399.A O no hydrogen 2.744 N/A ARG 394.A N ASP 397.A OD2 no hydrogen 3.113 N/A ASP 397.A N ARG 394.A O no hydrogen 2.826 N/A CYS 401.A N GLU 373.A OE1 no hydrogen 2.889 N/A CYS 401.A SG GLU 373.A OE1 no hydrogen 3.542 N/A CYS 401.A SG GLU 373.A OE2 no hydrogen 3.650 N/A ALA 402.A N GLU 373.A OE2 no hydrogen 3.145 N/A HIS 403.A N ASN 361.A O no hydrogen 2.960 N/A ASN 405.A N HIS 403.A ND1 no hydrogen 2.874 N/A ASN 405.A ND2 VAL 87.A O no hydrogen 3.039 N/A SER 406.A N HIS 403.A O no hydrogen 2.901 N/A SER 406.A OG HIS 403.A O no hydrogen 2.714 N/A ARG 407.A N THR 360.A O no hydrogen 3.039 N/A ARG 407.A NE ASN 405.A OD1 no hydrogen 3.316 N/A ARG 407.A NH1 PHE 335.A O no hydrogen 2.794 N/A ARG 407.A NH2 ASN 405.A OD1 no hydrogen 2.970 N/A PHE 408.A N GLY 336.A O no hydrogen 2.858 N/A CYS 409.A N ILE 358.A O no hydrogen 2.737 N/A CYS 409.A SG SER 171.A O no hydrogen 3.969 N/A THR 410.A N PHE 334.A O no hydrogen 3.002 N/A THR 410.A OG1 THR 352.A O no hydrogen 3.308 N/A THR 410.A OG1 THR 357.A OG1 no hydrogen 2.750 N/A ALA 412.A N ASN 332.A O no hydrogen 3.120 N/A GLN 414.A N PRO 411.A O no hydrogen 3.128 N/A GLN 414.A NE2 THR 352.A O no hydrogen 2.817 N/A GLN 414.A NE2 LYS 355.A O no hydrogen 2.905 N/A CYS 415.A N ALA 412.A O no hydrogen 3.040 N/A ILE 418.A N CYS 415.A O no hydrogen 3.096 N/A ASP 419.A N CYS 309.A O no hydrogen 2.754 N/A ALA 421.A N ASP 419.A OD2 no hydrogen 3.008 N/A TRP 422.A N ASP 419.A O no hydrogen 2.982 N/A SER 424.A N ALA 421.A O no hydrogen 3.047 N/A SER 424.A OG.A ALA 421.A O no hydrogen 3.103 N/A GLU 426.A N SER 424.A OG.B no hydrogen 3.195 N/A GLY 427.A N SER 424.A O no hydrogen 3.070 N/A VAL 428.A N ALA 327.A O no hydrogen 2.834 N/A ILE 430.A N LEU 325.A O no hydrogen 2.757 N/A GLU 431.A N TYR 281.A O no hydrogen 2.870 N/A ILE 433.A N LYS 512.A O no hydrogen 2.826 N/A ILE 434.A N ALA 283.A O no hydrogen 2.833 N/A PHE 435.A N PHE 514.A O no hydrogen 2.739 N/A ARG 438.A N SER 464.A OG no hydrogen 2.890 N/A ARG 438.A NE ALA 289.A O no hydrogen 3.113 N/A ARG 438.A NH1 ALA 289.A O no hydrogen 2.914 N/A ARG 439.A NH1 GLU 590.A OE2 no hydrogen 2.867 N/A ARG 439.A NH2 GLU 590.A OE1 no hydrogen 2.862 N/A LEU 445.A N LEU 579.A O no hydrogen 3.322 N/A TYR 447.A N HIS 515.A O no hydrogen 2.883 N/A GLU 448.A N TYR 559.A O no hydrogen 2.763 N/A ALA 449.A N ILE 513.A O no hydrogen 2.892 N/A LEU 450.A N HIS 454.A ND1 no hydrogen 2.870 N/A SER 451.A OG GLN 453.A OE1.A no hydrogen 3.518 N/A TRP 452.A NE1 TRP 499.A O no hydrogen 2.980 N/A GLN 453.A NE2.B GLU 609.A OE2.A no hydrogen 2.030 N/A HIS 454.A N SER 451.A OG no hydrogen 2.999 N/A GLY 455.A N SER 451.A O no hydrogen 2.833 N/A VAL 456.A N TRP 452.A O no hydrogen 2.806 N/A PHE 457.A N GLN 453.A O no hydrogen 3.024 N/A VAL 458.A N HIS 454.A O no hydrogen 2.830 N/A GLY 459.A N GLY 455.A O no hydrogen 2.990 N/A ALA 460.A N VAL 456.A O no hydrogen 2.876 N/A ALA 461.A N PHE 457.A O no hydrogen 2.784 N/A ALA 461.A N VAL 458.A O no hydrogen 3.259 N/A MET 462.A N GLY 459.A O no hydrogen 3.302 N/A ARG 463.A NH1 GLU 590.A OE2 no hydrogen 3.021 N/A SER 464.A N MET 478.A O no hydrogen 2.869 N/A GLU 465.A N ARG 438.A O no hydrogen 3.002 N/A ALA 466.A N VAL 476.A O no hydrogen 2.911 N/A THR 467.A OG1 SER 288.A O no hydrogen 3.170 N/A ALA 469.A N THR 467.A OG1 no hydrogen 3.355 N/A GLU 471.A N GLU 471.A OE1 no hydrogen 2.759 N/A HIS 472.A NE2 GLU 91.A OE1 no hydrogen 2.838 N/A LYS 473.A NZ GLU 471.A O no hydrogen 3.446 N/A MET 478.A N SER 464.A O no hydrogen 2.906 N/A HIS 479.A NE2 GLU 593.A OE1 no hydrogen 2.854 N/A HIS 479.A NE2 GLU 593.A OE2 no hydrogen 2.620 N/A ASP 480.A N MET 462.A O no hydrogen 2.947 N/A PHE 482.A N GLY 459.A O no hydrogen 2.969 N/A ALA 483.A N ASP 480.A O no hydrogen 2.932 N/A MET 484.A N PRO 481.A O no hydrogen 2.838 N/A ARG 485.A N ASP 480.A OD1 no hydrogen 2.878 N/A ARG 485.A NH1 HIS 479.A O no hydrogen 2.963 N/A ARG 485.A NH2 GLU 91.A OE1 no hydrogen 2.929 N/A ARG 485.A NH2 GLU 91.A OE2 no hydrogen 3.467 N/A PHE 487.A N MET 484.A O no hydrogen 2.709 N/A GLY 489.A N SER 254.A OG no hydrogen 2.947 N/A ASN 491.A N ASP 103.A O no hydrogen 3.058 N/A ASN 491.A ND2 ARG 102.A O no hydrogen 2.775 N/A ASN 491.A ND2 ASP 605.A OD2 no hydrogen 2.884 N/A LYS 494.A N ASN 491.A OD1 no hydrogen 3.163 N/A LYS 494.A NZ ASP 605.A OD1 no hydrogen 2.845 N/A TYR 495.A N ASN 491.A O no hydrogen 3.028 N/A TYR 495.A OH GLU 265.A OE1 no hydrogen 2.586 N/A TYR 495.A OH GLU 265.A OE2 no hydrogen 3.384 N/A LEU 496.A N PHE 492.A O no hydrogen 2.946 N/A ALA 497.A N GLY 493.A O no hydrogen 3.041 N/A HIS 498.A N LYS 494.A O no hydrogen 2.893 N/A HIS 498.A NE2 TRP 262.A O no hydrogen 2.810 N/A TRP 499.A N TYR 495.A O no hydrogen 2.933 N/A TRP 499.A NE1 GLU 265.A OE2 no hydrogen 2.906 N/A LEU 500.A N LEU 496.A O no hydrogen 2.871 N/A SER 501.A N ALA 497.A O no hydrogen 2.876 N/A SER 501.A OG HIS 498.A O no hydrogen 2.740 N/A MET 502.A N TRP 499.A O no hydrogen 3.209 N/A ALA 503.A N LEU 500.A O no hydrogen 3.112 N/A HIS 504.A N SER 501.A O no hydrogen 2.944 N/A ARG 505.A N MET 502.A O no hydrogen 3.220 N/A ALA 508.A N ARG 505.A O no hydrogen 3.242 N/A LYS 509.A N GLY 323.A O no hydrogen 2.675 N/A LYS 509.A NZ GLN 322.A O no hydrogen 3.286 N/A LYS 512.A N GLU 431.A O no hydrogen 3.180 N/A LYS 512.A NZ GLU 448.A OE2 no hydrogen 2.882 N/A PHE 514.A N ILE 433.A O no hydrogen 2.859 N/A HIS 515.A N TYR 447.A O no hydrogen 2.822 N/A VAL 516.A N PHE 435.A O no hydrogen 2.813 N/A ASN 517.A N LEU 445.A O no hydrogen 2.897 N/A ASN 517.A ND2 GLY 437.A O no hydrogen 3.189 N/A ARG 520.A NH1 LEU 579.A O no hydrogen 3.084 N/A ARG 520.A NH1 GLY 581.A O no hydrogen 2.926 N/A ARG 520.A NH2 GLY 581.A O no hydrogen 3.194 N/A LYS 521.A N PRO 440.A O no hydrogen 2.814 N/A ASP 522.A N LYS 526.A O no hydrogen 2.934 N/A LYS 523.A NZ GLU 578.A OE2 no hydrogen 3.452 N/A ASN 524.A N ASP 522.A OD2 no hydrogen 2.875 N/A GLY 525.A N ASP 522.A O no hydrogen 3.073 N/A LYS 526.A N ASP 522.A OD2 no hydrogen 3.011 N/A LEU 528.A N ARG 520.A O no hydrogen 2.896 N/A TRP 529.A NE1 ASN 535.A OD1 no hydrogen 2.726 N/A GLU 534.A N GLY 531.A O no hydrogen 2.942 N/A ASN 535.A N PHE 532.A O no hydrogen 2.768 N/A SER 536.A N GLY 533.A O no hydrogen 3.107 N/A SER 536.A OG GLY 533.A O no hydrogen 2.782 N/A ARG 537.A N GLU 534.A O no hydrogen 2.935 N/A ARG 537.A NE GLU 534.A OE1 no hydrogen 2.725 N/A ARG 537.A NH1 ASN 567.A O no hydrogen 2.893 N/A ARG 537.A NH1 LYS 569.A O no hydrogen 2.885 N/A ARG 537.A NH2 GLU 534.A OE1 no hydrogen 2.972 N/A ARG 537.A NH2 LYS 569.A O no hydrogen 2.912 N/A VAL 538.A N ASN 535.A O no hydrogen 2.964 N/A LEU 539.A N ASN 535.A O no hydrogen 3.041 N/A GLU 540.A N SER 536.A O no hydrogen 2.824 N/A TRP 541.A N ARG 537.A O no hydrogen 3.418 N/A TRP 541.A NE1 SER 551.A O no hydrogen 2.974 N/A MET 542.A N VAL 538.A O no hydrogen 3.009 N/A PHE 543.A N LEU 539.A O no hydrogen 2.853 N/A GLY 544.A N GLU 540.A O no hydrogen 3.010 N/A ARG 545.A N TRP 541.A O no hydrogen 2.937 N/A ARG 545.A NE GLU 448.A OE1 no hydrogen 2.785 N/A ARG 545.A NH1 GLU 549.A O no hydrogen 2.873 N/A ARG 545.A NH2 GLU 448.A OE1 no hydrogen 3.418 N/A ARG 545.A NH2 GLU 448.A OE2 no hydrogen 2.850 N/A ILE 546.A N MET 542.A O no hydrogen 2.928 N/A GLU 547.A N PHE 543.A O no hydrogen 3.058 N/A GLY 548.A N ARG 545.A O no hydrogen 2.941 N/A GLU 549.A N GLY 544.A O no hydrogen 2.856 N/A LYS 553.A N VAL 560.A O no hydrogen 2.784 N/A THR 555.A N GLY 558.A O no hydrogen 2.977 N/A THR 555.A OG1 GLY 558.A O no hydrogen 2.854 N/A ILE 557.A N THR 555.A OG1 no hydrogen 3.204 N/A GLY 558.A N THR 555.A O no hydrogen 3.282 N/A TYR 559.A N GLU 448.A O no hydrogen 2.857 N/A VAL 560.A N LYS 553.A O no hydrogen 2.849 N/A LYS 562.A N SER 551.A O no hydrogen 2.940 N/A LYS 562.A NZ ASP 550.A O no hydrogen 2.922 N/A LYS 562.A NZ ASP 550.A OD1 no hydrogen 3.405 N/A ALA 565.A N LYS 562.A O no hydrogen 2.893 N/A LYS 569.A N ASN 567.A OD1 no hydrogen 2.812 N/A LEU 571.A N LEU 568.A O no hydrogen 2.979 N/A VAL 574.A N LEU 571.A O no hydrogen 3.247 N/A GLU 578.A N ASN 575.A OD1 no hydrogen 3.116 N/A LEU 579.A N ASN 575.A O no hydrogen 2.999 N/A PHE 580.A N VAL 576.A O no hydrogen 2.956 N/A GLY 581.A N GLU 578.A O no hydrogen 3.252 N/A LYS 584.A NZ SER 622.A O no hydrogen 3.332 N/A LYS 584.A NZ MET 624.A O no hydrogen 2.892 N/A PHE 586.A N SER 583.A OG no hydrogen 3.151 N/A TRP 587.A N SER 583.A O no hydrogen 2.998 N/A TRP 587.A NE1 GLY 442.A O no hydrogen 3.147 N/A GLU 588.A N LYS 584.A O no hydrogen 2.804 N/A LYS 589.A N GLU 585.A O no hydrogen 3.333 N/A GLU 590.A N PHE 586.A O no hydrogen 2.862 N/A VAL 591.A N TRP 587.A O no hydrogen 2.942 N/A GLU 592.A N GLU 588.A O no hydrogen 3.180 N/A GLU 593.A N LYS 589.A O no hydrogen 2.958 N/A ILE 594.A N GLU 590.A O no hydrogen 2.993 N/A ASP 595.A N VAL 591.A O no hydrogen 2.887 N/A LYS 596.A N GLU 592.A O no hydrogen 2.976 N/A TYR 597.A N GLU 593.A O no hydrogen 2.945 N/A LEU 598.A N ILE 594.A O no hydrogen 2.842 N/A GLU 599.A N ASP 595.A O no hydrogen 2.907 N/A ASP 600.A N LYS 596.A O no hydrogen 2.946 N/A GLN 601.A N TYR 597.A O no hydrogen 2.847 N/A GLN 601.A NE2 GLN 112.A O no hydrogen 2.967 N/A GLN 601.A NE2 ASP 600.A OD1 no hydrogen 2.933 N/A VAL 602.A N LEU 598.A O no hydrogen 2.953 N/A ASN 603.A N LEU 598.A O no hydrogen 3.017 N/A ASN 603.A ND2.A ILE 107.A O no hydrogen 3.046 N/A ASN 603.A ND2.B ILE 107.A O no hydrogen 2.386 N/A ASN 603.A ND2.B ASP 600.A O no hydrogen 3.027 N/A ALA 604.A N ASN 603.A OD1.B no hydrogen 2.298 N/A ASP 605.A N VAL 602.A O no hydrogen 2.904 N/A LEU 606.A N ASN 603.A O no hydrogen 3.069 N/A GLU 609.A N GLU 609.A OE1.B no hydrogen 2.733 N/A ILE 610.A N PRO 607.A O no hydrogen 2.961 N/A GLU 611.A N PRO 607.A O no hydrogen 3.212 N/A ARG 612.A N TYR 608.A O no hydrogen 2.880 N/A GLU 613.A N GLU 609.A O no hydrogen 3.056 N/A LEU 614.A N ILE 610.A O no hydrogen 3.000 N/A ARG 615.A N GLU 611.A O no hydrogen 2.872 N/A ALA 616.A N ARG 612.A O no hydrogen 2.847 N/A LEU 617.A N GLU 613.A O no hydrogen 2.827 N/A LYS 618.A N LEU 614.A O no hydrogen 2.979 N/A GLN 619.A N ARG 615.A O no hydrogen 3.006 N/A ARG 620.A N ALA 616.A O no hydrogen 2.902 N/A ARG 620.A NE PRO 556.A O no hydrogen 2.660 N/A ARG 620.A NH2 PRO 556.A O no hydrogen 3.284 N/A ILE 621.A N LEU 617.A O no hydrogen 2.908 N/A SER 622.A N LYS 618.A O no hydrogen 2.932 N/A SER 622.A OG GLN 619.A O no hydrogen 2.580 N/A GLN 623.A N GLN 619.A O no hydrogen 3.201 N/A GLN 623.A N ARG 620.A O no hydrogen 3.127 N/A GLN 623.A NE2 SER 622.A OG no hydrogen 3.253 N/A MET 624.A N ILE 621.A O no hydrogen 2.967 N/A