Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pjq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A N ALA 4.A O no hydrogen 2.932 N/A SER 7.A OG GLU 376.A OE1 no hydrogen 2.891 N/A SER 8.A N ARG 372.A O no hydrogen 3.288 N/A ARG 9.A NH1 GLU 340.A OE1 no hydrogen 2.898 N/A ARG 9.A NH2 GLU 340.A OE2 no hydrogen 3.169 N/A VAL 10.A N PHE 370.A O no hydrogen 2.913 N/A PHE 13.A N LEU 368.A O no hydrogen 3.141 N/A LYS 14.A N SER 18.A OG no hydrogen 2.742 N/A LYS 14.A NZ GLU 11.A O no hydrogen 3.273 N/A ARG 15.A N SER 367.A OG no hydrogen 2.875 N/A ARG 15.A NH1 VAL 365.A O no hydrogen 2.807 N/A GLN 16.A N VAL 33.A O no hydrogen 2.670 N/A GLN 16.A N HIS 34.A O no hydrogen 3.247 N/A SER 18.A N LYS 14.A O no hydrogen 2.807 N/A SER 18.A OG LYS 14.A O no hydrogen 3.531 N/A VAL 20.A N ARG 31.A O no hydrogen 3.063 N/A PHE 22.A N THR 29.A O no hydrogen 2.635 N/A LYS 24.A N LYS 27.A O no hydrogen 3.015 N/A THR 29.A N PHE 22.A O no hydrogen 2.711 N/A ARG 31.A N VAL 20.A O no hydrogen 2.943 N/A ARG 31.A NH2 GLU 57.A OE2 no hydrogen 3.203 N/A VAL 33.A N SER 18.A O no hydrogen 3.017 N/A HIS 34.A N TYR 56.A O no hydrogen 2.969 N/A HIS 34.A ND1 SER 35.A OG no hydrogen 2.868 N/A SER 35.A N ARG 55.A O no hydrogen 3.117 N/A SER 35.A OG HIS 34.A ND1 no hydrogen 2.868 N/A PHE 36.A N TYR 366.A O no hydrogen 3.012 N/A ARG 37.A N ASP 53.A O no hydrogen 3.308 N/A ARG 37.A NE GLU 359.A OE1 no hydrogen 2.753 N/A ARG 37.A NH1 GLU 359.A OE1 no hydrogen 3.162 N/A ARG 37.A NH1 GLU 359.A OE2 no hydrogen 3.350 N/A LEU 38.A N GLU 359.A OE1 no hydrogen 3.024 N/A ALA 40.A N ILE 51.A O no hydrogen 2.817 N/A LEU 41.A N SER 346.A OG no hydrogen 2.728 N/A VAL 42.A N VAL 49.A O no hydrogen 2.857 N/A VAL 44.A N VAL 47.A O no hydrogen 2.801 N/A GLY 46.A N ASN 43.A OD1 no hydrogen 2.855 N/A VAL 47.A N VAL 44.A O no hydrogen 2.720 N/A MET 48.A N SER 72.A O no hydrogen 3.129 N/A VAL 49.A N VAL 42.A O no hydrogen 2.898 N/A ALA 50.A N LYS 70.A O no hydrogen 2.738 N/A ILE 51.A N ALA 40.A O no hydrogen 2.709 N/A ALA 52.A N VAL 68.A O no hydrogen 3.235 N/A ASP 53.A N ARG 37.A O no hydrogen 2.675 N/A ALA 54.A N ASP 66.A O no hydrogen 2.775 N/A ARG 55.A N SER 35.A O no hydrogen 2.836 N/A ARG 55.A NE ASP 53.A OD2 no hydrogen 2.874 N/A ARG 55.A NH1 SER 59.A O no hydrogen 2.848 N/A ARG 55.A NH1 ASP 61.A OD1 no hydrogen 2.861 N/A ARG 55.A NH2 ASP 53.A OD2 no hydrogen 2.868 N/A TYR 56.A N LEU 64.A O no hydrogen 3.175 N/A TYR 56.A OH ASP 66.A OD2 no hydrogen 2.793 N/A SER 59.A OG GLU 364.A O no hydrogen 2.738 N/A PHE 60.A N THR 58.A OG1 no hydrogen 3.003 N/A SER 63.A OG THR 58.A O no hydrogen 3.440 N/A SER 63.A OG PHE 60.A O no hydrogen 2.632 N/A ILE 65.A N SER 94.A O no hydrogen 3.162 N/A ASP 66.A N ALA 54.A O no hydrogen 3.247 N/A THR 67.A N ILE 85.A O no hydrogen 2.777 N/A VAL 68.A N ALA 52.A O no hydrogen 3.046 N/A ALA 69.A N GLN 82.A O no hydrogen 2.932 N/A LYS 70.A N ALA 50.A O no hydrogen 2.769 N/A LYS 70.A NZ THR 81.A OG1 no hydrogen 2.890 N/A TYR 71.A N GLU 80.A O no hydrogen 2.850 N/A SER 72.A N MET 48.A O no hydrogen 2.927 N/A SER 72.A OG ASP 74.A OD1 no hydrogen 2.610 N/A SER 72.A OG THR 78.A O no hydrogen 3.212 N/A ASP 74.A N SER 72.A OG no hydrogen 3.234 N/A GLY 76.A N SER 72.A OG no hydrogen 2.652 N/A GLU 77.A N ASP 74.A OD1 no hydrogen 2.799 N/A THR 78.A N ASP 74.A OD2 no hydrogen 3.042 N/A THR 78.A OG1 ASP 74.A OD2 no hydrogen 2.848 N/A GLU 80.A N TYR 71.A O no hydrogen 2.924 N/A GLN 82.A N ALA 69.A O no hydrogen 2.998 N/A ALA 84.A N THR 67.A O no hydrogen 2.600 N/A ILE 85.A N THR 67.A O no hydrogen 3.096 N/A ASN 87.A N ASP 66.A OD1 no hydrogen 3.072 N/A ASN 87.A ND2 ILE 65.A O no hydrogen 2.908 N/A SER 88.A OG SER 94.A OG no hydrogen 3.079 N/A SER 88.A OG ASN 116.A OD1 no hydrogen 2.549 N/A ARG 89.A N ASN 87.A OD1 no hydrogen 2.776 N/A ARG 89.A NE GLU 23.A O no hydrogen 2.691 N/A ARG 89.A NH1 ASP 66.A OD1 no hydrogen 2.801 N/A ARG 89.A NH1 ASP 66.A OD2 no hydrogen 3.433 N/A ARG 89.A NH2 GLU 23.A O no hydrogen 2.714 N/A ARG 89.A NH2 ASP 66.A OD2 no hydrogen 2.728 N/A ALA 90.A N SER 94.A OG no hydrogen 3.010 N/A SER 91.A N SER 94.A OG no hydrogen 2.985 N/A SER 91.A OG ASN 116.A O no hydrogen 2.538 N/A VAL 93.A N SER 91.A OG no hydrogen 3.107 N/A SER 94.A N SER 91.A O no hydrogen 3.285 N/A SER 94.A OG SER 88.A OG no hydrogen 3.079 N/A SER 94.A OG ASN 116.A O no hydrogen 2.551 N/A ARG 95.A N TYR 115.A O no hydrogen 2.978 N/A ARG 95.A NH1 VAL 93.A O no hydrogen 2.843 N/A ARG 95.A NH1 SER 118.A O no hydrogen 2.689 N/A ARG 95.A NH2 SER 118.A O no hydrogen 2.795 N/A VAL 96.A N ILE 65.A O no hydrogen 3.100 N/A VAL 97.A N GLY 113.A O no hydrogen 2.950 N/A THR 100.A N LEU 111.A O no hydrogen 2.956 N/A THR 100.A OG1 ASP 98.A O no hydrogen 2.996 N/A VAL 101.A N GLY 182.A O no hydrogen 3.191 N/A ILE 102.A N TYR 109.A O no hydrogen 2.880 N/A LYS 104.A N LYS 107.A O no hydrogen 3.050 N/A LYS 104.A NZ GLY 190.A O no hydrogen 2.683 N/A LYS 104.A NZ GLU 215.A OE1 no hydrogen 3.333 N/A LYS 104.A NZ GLU 215.A OE2 no hydrogen 3.376 N/A ASN 106.A ND2 GLU 139.A OE2 no hydrogen 3.142 N/A ASN 106.A ND2 VAL 140.A O no hydrogen 2.709 N/A LYS 107.A N LYS 104.A O no hydrogen 3.059 N/A LEU 108.A N GLY 138.A O no hydrogen 2.757 N/A TYR 109.A N ILE 102.A O no hydrogen 2.665 N/A VAL 110.A N ALA 136.A O no hydrogen 2.883 N/A LEU 111.A N THR 100.A O no hydrogen 3.026 N/A VAL 112.A N LEU 134.A O no hydrogen 2.853 N/A GLY 113.A N VAL 97.A O no hydrogen 3.066 N/A SER 114.A N ASP 132.A O no hydrogen 2.748 N/A TYR 115.A N ARG 95.A O no hydrogen 2.982 N/A TYR 115.A OH GLN 176.A OE1 no hydrogen 2.800 N/A ASN 116.A N ASP 130.A OD1 no hydrogen 3.203 N/A SER 117.A N ASP 130.A OD1 no hydrogen 2.756 N/A SER 118.A N ASP 130.A OD2 no hydrogen 2.884 N/A SER 118.A OG SER 120.A O no hydrogen 3.318 N/A SER 118.A OG HIS 125.A NE2 no hydrogen 3.129 N/A ARG 119.A NH1 SER 117.A O no hydrogen 3.165 N/A SER 120.A N SER 118.A OG no hydrogen 2.759 N/A SER 124.A N TYR 121.A O no hydrogen 3.050 N/A SER 124.A OG TYR 121.A O no hydrogen 2.892 N/A HIS 125.A N TRP 122.A O no hydrogen 3.104 N/A HIS 125.A NE2 SER 120.A O no hydrogen 3.085 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 2.855 N/A ARG 129.A NE ASP 127.A OD1 no hydrogen 3.096 N/A ARG 129.A NE ASP 127.A OD2 no hydrogen 3.266 N/A ARG 129.A NH2 ASP 127.A OD2 no hydrogen 2.993 N/A TRP 131.A N ALA 128.A O no hydrogen 3.213 N/A TRP 131.A NE1 PHE 177.A O no hydrogen 2.942 N/A ASP 132.A N SER 114.A O no hydrogen 2.799 N/A ILE 133.A N ASP 132.A OD1 no hydrogen 2.801 N/A LEU 134.A N VAL 112.A O no hydrogen 2.821 N/A LEU 135.A N VAL 159.A O no hydrogen 2.743 N/A ALA 136.A N VAL 110.A O no hydrogen 2.948 N/A GLY 138.A N LEU 108.A O no hydrogen 2.835 N/A GLU 139.A N LYS 154.A O no hydrogen 2.828 N/A VAL 140.A N ASN 106.A O no hydrogen 2.894 N/A THR 141.A N SER 152.A O no hydrogen 3.141 N/A LYS 142.A NZ ASP 45.A O no hydrogen 2.765 N/A SER 143.A N THR 150.A O no hydrogen 2.906 N/A THR 150.A N SER 143.A O no hydrogen 2.719 N/A SER 152.A N THR 141.A O no hydrogen 3.339 N/A LYS 154.A N GLU 139.A O no hydrogen 3.021 N/A GLY 156.A N VAL 137.A O no hydrogen 2.949 N/A VAL 159.A N LEU 135.A O no hydrogen 2.714 N/A SER 160.A OG ASP 132.A OD1 no hydrogen 2.738 N/A LEU 161.A N ILE 133.A O no hydrogen 2.876 N/A LYS 162.A N SER 160.A OG no hydrogen 3.310 N/A LYS 162.A NZ TRP 131.A O no hydrogen 3.226 N/A PHE 164.A N LEU 161.A O no hydrogen 3.004 N/A PHE 165.A N LYS 162.A O no hydrogen 3.282 N/A MET 169.A N MET 172.A O no hydrogen 3.491 N/A MET 172.A N MET 169.A O no hydrogen 3.144 N/A THR 174.A N ALA 167.A O no hydrogen 3.076 N/A THR 174.A OG1 PRO 166.A O no hydrogen 2.708 N/A THR 174.A OG1 ALA 167.A O no hydrogen 3.282 N/A ASN 175.A N THR 199.A O no hydrogen 2.789 N/A ASN 175.A ND2 HIS 125.A O no hydrogen 3.128 N/A ASN 175.A ND2 ASN 200.A O no hydrogen 3.072 N/A GLN 176.A N THR 199.A OG1 no hydrogen 3.244 N/A GLN 176.A NE2 HIS 125.A ND1 no hydrogen 3.055 N/A GLN 176.A NE2 ASP 127.A O no hydrogen 2.934 N/A LEU 178.A N GLN 197.A O no hydrogen 2.886 N/A GLY 180.A N PRO 195.A O no hydrogen 3.234 N/A ALA 181.A N THR 100.A OG1 no hydrogen 3.006 N/A ALA 184.A N VAL 101.A O no hydrogen 2.770 N/A ALA 187.A N ASN 191.A O no hydrogen 2.744 N/A SER 188.A N GLU 237.A OE1 no hydrogen 3.264 N/A SER 188.A OG GLU 237.A OE2 no hydrogen 2.866 N/A GLY 190.A N ALA 187.A O no hydrogen 2.664 N/A ASN 191.A N ASN 189.A OD1 no hydrogen 2.972 N/A LEU 192.A N SER 212.A O no hydrogen 2.922 N/A VAL 193.A N ILE 185.A O no hydrogen 3.043 N/A TYR 194.A N PHE 210.A O no hydrogen 2.780 N/A TYR 194.A OH THR 100.A O no hydrogen 3.148 N/A TYR 194.A OH TYR 109.A O no hydrogen 2.546 N/A VAL 196.A N LYS 208.A O no hydrogen 2.901 N/A GLN 197.A N LEU 178.A O no hydrogen 2.805 N/A GLN 197.A NE2 GLY 179.A O no hydrogen 3.035 N/A VAL 198.A N PHE 206.A O no hydrogen 2.833 N/A THR 199.A N GLN 176.A O no hydrogen 3.023 N/A THR 199.A OG1 GLN 176.A O no hydrogen 3.513 N/A ASN 200.A N GLN 204.A O no hydrogen 3.286 N/A ASN 200.A ND2 GLN 204.A OE1 no hydrogen 2.851 N/A LYS 201.A N HIS 173.A O no hydrogen 2.884 N/A LYS 203.A N ASN 200.A O no hydrogen 2.740 N/A GLN 204.A N ASN 200.A OD1 no hydrogen 2.633 N/A PHE 206.A N VAL 198.A O no hydrogen 3.037 N/A SER 207.A N SER 226.A OG no hydrogen 2.734 N/A SER 207.A OG CYS 230.A O no hydrogen 3.112 N/A LYS 208.A N VAL 196.A O no hydrogen 2.888 N/A LYS 208.A NZ GLY 222.A O no hydrogen 2.700 N/A LYS 208.A NZ GLY 224.A O no hydrogen 2.512 N/A PHE 210.A N TYR 194.A O no hydrogen 2.685 N/A TYR 211.A N LYS 220.A O no hydrogen 2.863 N/A SER 212.A N LEU 192.A O no hydrogen 2.950 N/A SER 212.A OG ASP 214.A OD1 no hydrogen 2.458 N/A SER 212.A OG THR 218.A O no hydrogen 2.389 N/A LYS 217.A N ASP 214.A O no hydrogen 3.243 N/A THR 218.A N ASP 214.A OD1 no hydrogen 3.144 N/A THR 218.A OG1 ASP 214.A OD1 no hydrogen 3.360 N/A THR 218.A OG1 ASP 214.A OD2 no hydrogen 2.544 N/A TRP 219.A NE1 GLY 216.A O no hydrogen 2.943 N/A LYS 220.A N TYR 211.A O no hydrogen 2.978 N/A LYS 220.A NZ TYR 211.A OH no hydrogen 3.418 N/A LYS 220.A NZ GLU 213.A OE1 no hydrogen 3.537 N/A GLY 222.A N ILE 209.A O no hydrogen 2.814 N/A LYS 223.A N ASN 263.A OD1 no hydrogen 3.059 N/A GLY 224.A N GLY 262.A O no hydrogen 2.727 N/A ARG 225.A NH1 SER 226.A O no hydrogen 2.882 N/A SER 226.A N SER 207.A O no hydrogen 3.122 N/A SER 226.A OG ALA 227.A O no hydrogen 3.048 N/A ALA 227.A N TYR 256.A OH no hydrogen 2.981 N/A GLY 229.A N VAL 205.A O no hydrogen 2.652 N/A CYS 230.A SG ALA 227.A O no hydrogen 3.485 N/A CYS 230.A SG THR 246.A OG1 no hydrogen 3.376 N/A SER 231.A N ARG 247.A O no hydrogen 2.640 N/A SER 231.A OG ARG 247.A O no hydrogen 3.383 N/A GLU 232.A N GLN 197.A OE1 no hydrogen 2.925 N/A VAL 234.A N ASN 245.A O no hydrogen 3.053 N/A LEU 236.A N ILE 243.A O no hydrogen 2.983 N/A TRP 238.A N LYS 241.A O no hydrogen 2.855 N/A LYS 241.A N TRP 238.A O no hydrogen 2.935 N/A LEU 242.A N SER 258.A O no hydrogen 2.935 N/A ILE 243.A N LEU 236.A O no hydrogen 2.741 N/A ILE 244.A N TYR 256.A O no hydrogen 2.798 N/A ASN 245.A N VAL 234.A O no hydrogen 2.926 N/A THR 246.A N LEU 254.A O no hydrogen 2.790 N/A THR 246.A OG1 LEU 254.A O no hydrogen 2.815 N/A ARG 247.A N SER 231.A O no hydrogen 2.970 N/A ARG 247.A NE ASP 249.A OD2 no hydrogen 2.773 N/A ARG 247.A NH1 GLU 232.A OE1 no hydrogen 2.788 N/A ARG 247.A NH2 ASP 249.A OD1 no hydrogen 3.364 N/A ARG 247.A NH2 ASP 249.A OD2 no hydrogen 2.937 N/A TYR 250.A N GLN 284.A O no hydrogen 3.042 N/A ARG 251.A N VAL 248.A O no hydrogen 3.207 N/A ARG 251.A NH1 TYR 250.A O no hydrogen 3.244 N/A ARG 252.A NE ARG 274.A O no hydrogen 2.822 N/A ARG 252.A NH1 ARG 274.A O no hydrogen 2.875 N/A ARG 252.A NH1 GLN 464.A O no hydrogen 3.022 N/A ARG 252.A NH2 GLN 464.A O no hydrogen 3.091 N/A ARG 253.A N TRP 276.A O no hydrogen 2.926 N/A ARG 253.A NE ASN 245.A OD1 no hydrogen 2.966 N/A ARG 253.A NH1 SER 287.A O no hydrogen 3.037 N/A ARG 253.A NH2 ASN 245.A OD1 no hydrogen 3.019 N/A VAL 255.A N SER 273.A OG no hydrogen 2.992 N/A TYR 256.A N ILE 244.A O no hydrogen 2.781 N/A GLU 257.A N LEU 266.A O no hydrogen 2.683 N/A SER 258.A N LEU 242.A O no hydrogen 3.035 N/A SER 258.A OG ASP 260.A OD1 no hydrogen 3.011 N/A SER 258.A OG THR 264.A O no hydrogen 2.556 N/A ASN 263.A N ASP 260.A O no hydrogen 3.100 N/A THR 264.A N ASP 260.A OD1 no hydrogen 2.852 N/A THR 264.A OG1 ASP 260.A OD1 no hydrogen 3.106 N/A THR 264.A OG1 ASP 260.A OD2 no hydrogen 2.706 N/A TRP 265.A NE1 GLY 262.A O no hydrogen 2.880 N/A LEU 266.A N GLU 257.A O no hydrogen 2.864 N/A ALA 268.A N VAL 255.A O no hydrogen 2.858 N/A THR 271.A N ALA 268.A O no hydrogen 3.195 N/A SER 273.A N ALA 268.A O no hydrogen 2.908 N/A SER 273.A OG VAL 255.A O no hydrogen 3.533 N/A SER 273.A OG GLU 267.A OE2 no hydrogen 2.814 N/A ARG 274.A N ARG 253.A O no hydrogen 2.860 N/A ARG 274.A NE GLU 267.A OE2 no hydrogen 2.715 N/A ARG 274.A NH1 GLU 267.A OE1 no hydrogen 3.203 N/A ARG 274.A NH1 GLU 267.A OE2 no hydrogen 3.450 N/A SER 279.A OG ASN 283.A OD1 no hydrogen 3.253 N/A SER 282.A N SER 279.A O no hydrogen 2.722 N/A SER 282.A OG SER 279.A O no hydrogen 3.564 N/A ASN 283.A N SER 279.A OG no hydrogen 3.208 N/A GLN 284.A NE2 ASN 283.A OD1 no hydrogen 3.294 N/A GLY 286.A N ASP 249.A OD2 no hydrogen 2.942 N/A SER 287.A OG GLN 288.A O no hydrogen 2.979 N/A SER 287.A OG ALA 343.A O no hydrogen 3.304 N/A GLN 288.A NE2 SER 345.A O no hydrogen 3.005 N/A SER 289.A OG THR 305.A O no hydrogen 2.834 N/A SER 290.A N THR 305.A OG1 no hydrogen 3.263 N/A THR 292.A N LEU 303.A O no hydrogen 3.155 N/A VAL 294.A N VAL 301.A O no hydrogen 2.898 N/A ILE 296.A N MET 299.A O no hydrogen 3.004 N/A MET 299.A N ILE 296.A O no hydrogen 3.042 N/A ARG 300.A NH1 THR 295.A OG1 no hydrogen 2.765 N/A VAL 301.A N VAL 294.A O no hydrogen 2.873 N/A MET 302.A N THR 324.A O no hydrogen 2.678 N/A LEU 303.A N THR 292.A O no hydrogen 2.693 N/A PHE 304.A N TRP 322.A O no hydrogen 3.142 N/A THR 305.A N SER 290.A O no hydrogen 3.058 N/A THR 305.A OG1 SER 345.A OG no hydrogen 2.724 N/A HIS 306.A N ASN 320.A O no hydrogen 3.205 N/A HIS 306.A ND1 SER 289.A OG no hydrogen 3.189 N/A LEU 308.A N ARG 318.A O no hydrogen 2.980 N/A ASN 309.A N ASP 317.A O no hydrogen 2.979 N/A ASN 309.A ND2 PRO 285.A O no hydrogen 3.526 N/A ASN 309.A ND2 ARG 313.A O no hydrogen 3.039 N/A PHE 310.A N ASP 317.A OD1 no hydrogen 3.134 N/A LYS 311.A N ASP 317.A OD2 no hydrogen 2.717 N/A LYS 311.A NZ ASP 339.A O no hydrogen 2.722 N/A LYS 311.A NZ ASN 341.A OD1 no hydrogen 2.856 N/A GLY 312.A N ASN 309.A O no hydrogen 3.150 N/A ARG 313.A N GLN 284.A OE1 no hydrogen 3.078 N/A ARG 316.A N ASN 309.A OD1 no hydrogen 2.599 N/A ARG 316.A NE TRP 314.A O no hydrogen 2.954 N/A ARG 316.A NH1 GLY 286.A O no hydrogen 2.784 N/A ARG 318.A NH1 ASP 317.A OD1 no hydrogen 2.949 N/A LEU 319.A N SER 336.A OG no hydrogen 2.910 N/A LEU 319.A N SER 342.A OG no hydrogen 3.170 N/A ASN 320.A N HIS 306.A O no hydrogen 3.123 N/A ASN 320.A ND2 ASN 331.A OD1 no hydrogen 2.852 N/A LEU 321.A N GLY 333.A O no hydrogen 3.130 N/A TRP 322.A N PHE 304.A O no hydrogen 2.706 N/A LEU 323.A N TYR 330.A O no hydrogen 2.750 N/A THR 324.A N MET 302.A O no hydrogen 2.988 N/A THR 324.A OG1 ARG 328.A O no hydrogen 2.546 N/A ASN 326.A N THR 324.A OG1 no hydrogen 2.765 N/A GLN 327.A N ASP 325.A OD2 no hydrogen 2.967 N/A GLN 327.A NE2 ASP 325.A OD1 no hydrogen 3.011 N/A ARG 328.A N ASP 325.A OD2 no hydrogen 2.843 N/A ARG 328.A NE LEU 412.A O no hydrogen 2.993 N/A ARG 328.A NH1 ASP 325.A OD1 no hydrogen 3.244 N/A ARG 328.A NH1 ASP 391.A OD2 no hydrogen 2.830 N/A ARG 328.A NH2 ASP 391.A OD1 no hydrogen 2.756 N/A ARG 328.A NH2 ASP 391.A OD2 no hydrogen 3.353 N/A ARG 328.A NH2 LEU 412.A O no hydrogen 2.884 N/A TYR 330.A N LEU 323.A O no hydrogen 2.896 N/A VAL 332.A N LEU 321.A O no hydrogen 2.773 N/A GLN 334.A NE2 SER 336.A O no hydrogen 3.062 N/A GLN 334.A NE2 GLY 338.A O no hydrogen 2.761 N/A VAL 335.A N LEU 319.A O no hydrogen 2.690 N/A SER 336.A OG SER 342.A OG no hydrogen 2.909 N/A ILE 337.A N GLU 340.A OE1 no hydrogen 2.647 N/A GLU 340.A N ILE 337.A O no hydrogen 3.270 N/A ASN 341.A ND2 ASN 361.A O no hydrogen 2.956 N/A ASN 341.A ND2 ASN 361.A OD1 no hydrogen 3.562 N/A SER 342.A N ARG 316.A O no hydrogen 3.028 N/A SER 342.A OG SER 336.A OG no hydrogen 2.909 N/A SER 342.A OG SER 342.A O no hydrogen 2.689 N/A HIS 344.A N GLU 359.A OE2 no hydrogen 3.210 N/A SER 345.A N GLN 288.A OE1 no hydrogen 2.968 N/A SER 345.A OG THR 305.A OG1 no hydrogen 2.724 N/A SER 346.A N LEU 357.A O no hydrogen 2.709 N/A VAL 347.A N SER 290.A OG no hydrogen 3.016 N/A LEU 348.A N TYR 355.A O no hydrogen 2.787 N/A TYR 349.A OH ASP 352.A OD2 no hydrogen 2.695 N/A LYS 350.A N LYS 353.A O no hydrogen 2.869 N/A LYS 350.A NZ ASP 75.A OD1 no hydrogen 2.740 N/A LYS 350.A NZ ASP 351.A OD2 no hydrogen 2.775 N/A LYS 353.A N LYS 350.A O no hydrogen 3.027 N/A TYR 355.A N LEU 348.A O no hydrogen 2.764 N/A CYS 356.A N ALA 371.A O no hydrogen 3.197 N/A CYS 356.A SG SER 346.A O no hydrogen 3.667 N/A LEU 357.A N SER 346.A O no hydrogen 2.820 N/A HIS 358.A N VAL 369.A O no hydrogen 3.003 N/A HIS 358.A ND1 GLU 359.A O no hydrogen 2.796 N/A GLU 359.A N HIS 344.A O no hydrogen 3.028 N/A ILE 360.A N SER 367.A O no hydrogen 2.832 N/A ASN 361.A N ASN 341.A O no hydrogen 2.682 N/A SER 362.A N VAL 365.A O no hydrogen 3.253 N/A VAL 365.A N SER 362.A O no hydrogen 3.145 N/A TYR 366.A N SER 35.A OG no hydrogen 2.860 N/A TYR 366.A OH GLU 364.A OE1 no hydrogen 2.576 N/A SER 367.A N ILE 360.A O no hydrogen 3.022 N/A SER 367.A OG GLU 11.A OE1 no hydrogen 2.450 N/A SER 367.A OG PHE 13.A O no hydrogen 3.264 N/A LEU 368.A N PHE 13.A O no hydrogen 3.252 N/A VAL 369.A N HIS 358.A O no hydrogen 2.731 N/A PHE 370.A N VAL 10.A O no hydrogen 2.989 N/A ALA 371.A N CYS 356.A O no hydrogen 3.029 N/A ARG 372.A N SER 8.A O no hydrogen 2.900 N/A ARG 372.A NH1 ASP 75.A O no hydrogen 3.212 N/A ARG 372.A NH2 ASP 75.A O no hydrogen 2.989 N/A LEU 373.A N LEU 354.A O no hydrogen 2.863 N/A GLY 375.A N SER 7.A OG no hydrogen 2.540 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 3.062 N/A LEU 377.A N LEU 373.A O no hydrogen 3.243 N/A ARG 378.A N VAL 374.A O no hydrogen 3.039 N/A ARG 378.A NH1 PRO 5.A O no hydrogen 2.698 N/A ILE 379.A N GLY 375.A O no hydrogen 2.883 N/A ILE 380.A N GLU 376.A O no hydrogen 2.928 N/A LYS 381.A N LEU 377.A O no hydrogen 3.005 N/A LYS 381.A NZ ASP 352.A OD1 no hydrogen 3.397 N/A LYS 381.A NZ ASP 352.A OD2 no hydrogen 3.053 N/A SER 382.A N ARG 378.A O no hydrogen 3.092 N/A VAL 383.A N ILE 379.A O no hydrogen 2.860 N/A LEU 384.A N ILE 380.A O no hydrogen 2.771 N/A GLN 385.A N LYS 381.A O no hydrogen 2.961 N/A SER 386.A N SER 382.A O no hydrogen 2.934 N/A SER 386.A OG SER 382.A O no hydrogen 3.396 N/A TRP 387.A N VAL 383.A O no hydrogen 2.896 N/A TRP 387.A NE1 TYR 429.A O no hydrogen 2.850 N/A LYS 388.A N LEU 384.A O no hydrogen 2.821 N/A ASN 389.A N GLN 385.A O no hydrogen 2.796 N/A TRP 390.A N SER 386.A O no hydrogen 3.235 N/A ASP 391.A N TRP 387.A O no hydrogen 3.061 N/A SER 392.A N LYS 388.A O no hydrogen 2.927 N/A HIS 393.A N ASN 389.A O no hydrogen 2.813 N/A LEU 394.A N TRP 390.A O no hydrogen 2.858 N/A SER 395.A N ASP 391.A O no hydrogen 2.971 N/A SER 395.A OG VAL 407.A O no hydrogen 3.303 N/A SER 396.A OG SER 392.A O no hydrogen 2.391 N/A ILE 397.A N LEU 394.A O no hydrogen 3.138 N/A THR 399.A OG1 PRO 405.A O no hydrogen 2.677 N/A GLY 404.A N THR 399.A O no hydrogen 2.689 N/A GLY 411.A N GLN 327.A OE1 no hydrogen 2.793 N/A LEU 412.A N THR 409.A O no hydrogen 3.026 N/A VAL 413.A N LEU 600.A O no hydrogen 2.709 N/A GLY 414.A N LEU 600.A O no hydrogen 3.270 N/A PHE 415.A N ASP 427.A OD1 no hydrogen 3.236 N/A LEU 416.A N VAL 598.A O no hydrogen 2.942 N/A SER 417.A OG ASN 444.A OD1 no hydrogen 3.365 N/A SER 417.A OG THR 622.A OG1 no hydrogen 3.188 N/A HIS 418.A N THR 622.A OG1 no hydrogen 2.797 N/A THR 421.A N GLU 424.A O no hydrogen 2.770 N/A THR 421.A OG1 GLU 424.A O no hydrogen 3.454 N/A THR 423.A N THR 421.A OG1 no hydrogen 3.363 N/A GLU 424.A N THR 421.A OG1 no hydrogen 2.956 N/A TRP 425.A N ALA 434.A O no hydrogen 2.669 N/A TRP 425.A NE1 SER 417.A O no hydrogen 2.881 N/A GLU 426.A N SER 419.A O no hydrogen 3.113 N/A ASP 427.A N ASN 433.A OD1 no hydrogen 3.029 N/A ALA 428.A N PHE 415.A O no hydrogen 2.897 N/A TYR 429.A N ASP 427.A OD1 no hydrogen 2.879 N/A TYR 429.A OH ASP 391.A OD1 no hydrogen 2.613 N/A ARG 430.A N ASP 427.A O no hydrogen 2.884 N/A ARG 430.A NH1 SER 382.A OG no hydrogen 3.340 N/A ARG 430.A NH2 SER 382.A OG no hydrogen 3.014 N/A ARG 430.A NH2 SER 386.A OG no hydrogen 2.772 N/A CYS 431.A N ASP 427.A OD2 no hydrogen 2.988 N/A CYS 431.A SG TYR 429.A O no hydrogen 3.616 N/A VAL 432.A N ASP 427.A OD2 no hydrogen 2.956 N/A ASN 433.A ND2 GLU 424.A OE2 no hydrogen 3.553 N/A ALA 434.A N TRP 425.A O no hydrogen 2.852 N/A SER 435.A N LEU 456.A O no hydrogen 2.977 N/A THR 436.A N THR 423.A O no hydrogen 3.048 N/A ALA 437.A N GLY 454.A O no hydrogen 3.023 N/A ASN 438.A ND2 ALA 449.A O no hydrogen 3.034 N/A ASN 438.A ND2 VAL 451.A O no hydrogen 3.539 N/A GLU 440.A N LYS 447.A O no hydrogen 3.036 N/A ARG 441.A NH1 ALA 420.A O no hydrogen 2.868 N/A VAL 442.A N GLY 445.A O no hydrogen 3.087 N/A ASN 444.A N HIS 418.A ND1 no hydrogen 2.991 N/A GLY 445.A N VAL 442.A O no hydrogen 2.999 N/A LEU 446.A N VAL 595.A O no hydrogen 3.066 N/A LYS 447.A N GLU 440.A O no hydrogen 2.989 N/A PHE 448.A N VAL 593.A O no hydrogen 2.684 N/A ALA 449.A N ASN 438.A O no hydrogen 3.295 N/A GLY 450.A N ASP 590.A OD1 no hydrogen 2.955 N/A GLY 453.A N GLY 450.A O no hydrogen 2.894 N/A GLY 454.A N ALA 437.A O no hydrogen 3.190 N/A ALA 455.A N VAL 579.A O no hydrogen 2.727 N/A LEU 456.A N SER 435.A O no hydrogen 2.831 N/A TRP 457.A N PHE 577.A O no hydrogen 2.952 N/A TRP 457.A NE1 VAL 432.A O no hydrogen 2.767 N/A VAL 459.A N SER 575.A O no hydrogen 2.778 N/A SER 460.A N ILE 574.A O no hydrogen 2.965 N/A GLN 461.A N SER 575.A O no hydrogen 3.293 N/A GLN 462.A N VAL 459.A O no hydrogen 2.959 N/A GLN 462.A NE2 PRO 458.A O no hydrogen 2.760 N/A GLY 463.A N SER 460.A O no hydrogen 3.066 N/A GLN 464.A NE2 GLY 277.A O no hydrogen 3.416 N/A GLN 464.A NE2 LEU 308.A O no hydrogen 2.751 N/A GLN 466.A N VAL 275.A O no hydrogen 2.761 N/A GLN 466.A NE2 GLY 463.A O no hydrogen 2.943 N/A ARG 467.A N GLN 462.A OE1 no hydrogen 2.865 N/A ARG 467.A NE ILE 329.A O no hydrogen 2.844 N/A ARG 467.A NH1 GLN 462.A OE1 no hydrogen 2.924 N/A HIS 469.A N GLN 466.A O no hydrogen 3.286 N/A ALA 471.A N TYR 468.A O no hydrogen 2.984 N/A ASN 472.A N HIS 469.A O no hydrogen 3.206 N/A ASN 472.A ND2 HIS 469.A O no hydrogen 3.235 N/A HIS 473.A N PHE 470.A O no hydrogen 2.730 N/A ALA 474.A N PHE 470.A O no hydrogen 3.088 N/A PHE 475.A N MET 544.A O no hydrogen 3.093 N/A THR 476.A N TYR 601.A O no hydrogen 3.175 N/A THR 476.A OG1 ARG 603.A O no hydrogen 2.635 N/A LEU 477.A N LEU 542.A O no hydrogen 2.862 N/A VAL 478.A N LEU 599.A O no hydrogen 2.969 N/A ALA 479.A N VAL 540.A O no hydrogen 2.969 N/A SER 480.A N ASN 596.A O no hydrogen 2.956 N/A VAL 481.A N TYR 538.A O no hydrogen 2.721 N/A THR 482.A N THR 594.A O no hydrogen 2.943 N/A HIS 484.A N ARG 592.A O no hydrogen 2.788 N/A HIS 484.A NE2 THR 594.A OG1 no hydrogen 2.546 N/A SER 491.A N TYR 511.A O no hydrogen 2.803 N/A LEU 493.A N LEU 509.A O no hydrogen 2.996 N/A GLY 495.A N TYR 578.A O no hydrogen 3.065 N/A ALA 496.A N LEU 507.A O no hydrogen 2.821 N/A SER 497.A N HIS 576.A O no hydrogen 2.835 N/A SER 497.A OG ASP 499.A O no hydrogen 2.537 N/A LEU 498.A N LYS 504.A O no hydrogen 2.781 N/A ASP 499.A N LYS 504.A O no hydrogen 3.386 N/A SER 501.A OG ASP 499.A OD1 no hydrogen 3.441 N/A SER 501.A OG ASP 499.A OD2 no hydrogen 2.491 N/A GLY 502.A N ASP 499.A OD1 no hydrogen 3.143 N/A LYS 504.A N ASP 499.A OD1 no hydrogen 2.972 N/A LYS 504.A NZ.A SER 523.A OG no hydrogen 3.109 N/A LYS 505.A NZ GLY 502.A O no hydrogen 2.527 N/A LYS 505.A NZ TYR 582.A OH no hydrogen 2.825 N/A LEU 506.A N ALA 496.A O no hydrogen 2.974 N/A LEU 507.A N ALA 496.A O no hydrogen 3.483 N/A GLY 508.A N ILE 520.A O no hydrogen 3.020 N/A LEU 509.A N LEU 494.A O no hydrogen 2.726 N/A SER 510.A N GLN 518.A O no hydrogen 2.758 N/A TYR 511.A N SER 491.A O no hydrogen 2.887 N/A ASP 512.A N GLN 516.A O no hydrogen 2.992 N/A ARG 514.A N ASP 512.A OD1 no hydrogen 2.772 N/A HIS 515.A N ASP 512.A O no hydrogen 3.014 N/A GLN 516.A N ASP 512.A OD1 no hydrogen 3.177 N/A TRP 517.A N THR 529.A O no hydrogen 2.950 N/A GLN 518.A N SER 510.A O no hydrogen 2.652 N/A GLN 518.A NE2 ASP 512.A OD2 no hydrogen 2.899 N/A ILE 520.A N GLY 508.A O no hydrogen 2.803 N/A TYR 521.A OH SER 561.A OG no hydrogen 3.264 N/A GLY 522.A N LEU 506.A O no hydrogen 2.814 N/A THR 524.A N TYR 521.A O no hydrogen 2.930 N/A THR 524.A OG1 TYR 521.A O no hydrogen 3.235 N/A THR 529.A N TRP 517.A O no hydrogen 2.883 N/A TRP 532.A N HIS 515.A O no hydrogen 3.087 N/A TRP 532.A NE1 GLN 516.A O no hydrogen 2.991 N/A GLU 533.A N TYR 538.A OH no hydrogen 3.101 N/A GLY 535.A N ILE 483.A O no hydrogen 2.860 N/A LYS 536.A N GLU 533.A O no hydrogen 3.205 N/A ARG 537.A NH1 ASP 618.A OD1 no hydrogen 2.734 N/A ARG 537.A NH2 ASP 618.A OD1 no hydrogen 3.199 N/A ARG 537.A NH2 ASP 618.A OD2 no hydrogen 2.657 N/A TYR 538.A N VAL 481.A O no hydrogen 2.682 N/A HIS 539.A N ASP 554.A OD2 no hydrogen 2.976 N/A VAL 540.A N ALA 479.A O no hydrogen 2.855 N/A VAL 541.A N TYR 552.A O no hydrogen 3.086 N/A LEU 542.A N LEU 477.A O no hydrogen 2.861 N/A THR 543.A N SER 550.A O no hydrogen 3.092 N/A MET 544.A N PHE 475.A O no hydrogen 3.172 N/A ALA 545.A N ILE 548.A O no hydrogen 2.909 N/A ILE 548.A N ALA 545.A O no hydrogen 2.995 N/A GLY 549.A N GLN 563.A O no hydrogen 2.864 N/A SER 550.A N THR 543.A O no hydrogen 2.974 N/A VAL 551.A N SER 561.A OG no hydrogen 2.817 N/A TYR 552.A N VAL 541.A O no hydrogen 2.885 N/A ILE 553.A N GLU 556.A O no hydrogen 3.191 N/A ASP 554.A N HIS 539.A O no hydrogen 2.745 N/A GLU 556.A N ILE 553.A O no hydrogen 3.046 N/A LEU 558.A N VAL 551.A O no hydrogen 2.852 N/A SER 561.A N LEU 558.A O no hydrogen 3.260 N/A SER 561.A OG TYR 521.A OH no hydrogen 3.264 N/A GLN 563.A N GLY 549.A O no hydrogen 2.993 N/A VAL 565.A N LYS 547.A O no hydrogen 3.083 N/A ARG 570.A N ASP 568.A OD2 no hydrogen 3.200 N/A ILE 574.A N ASN 472.A OD1 no hydrogen 2.787 N/A SER 575.A N SER 497.A O no hydrogen 2.813 N/A SER 575.A OG ASP 499.A O no hydrogen 3.425 N/A SER 575.A OG HIS 576.A ND1 no hydrogen 2.502 N/A HIS 576.A N SER 497.A O no hydrogen 3.474 N/A HIS 576.A ND1 SER 575.A OG no hydrogen 2.502 N/A PHE 577.A N TRP 457.A O no hydrogen 2.898 N/A TYR 578.A N GLY 495.A O no hydrogen 3.003 N/A VAL 579.A N ALA 455.A O no hydrogen 3.060 N/A GLY 580.A N LEU 493.A O no hydrogen 2.838 N/A LYS 583.A N GLY 453.A O no hydrogen 2.929 N/A LYS 583.A NZ LYS 583.A O no hydrogen 3.099 N/A ARG 584.A NE SER 500.A O no hydrogen 2.891 N/A ARG 584.A NH2 SER 500.A O no hydrogen 2.810 N/A SER 591.A OG PRO 492.A O no hydrogen 2.523 N/A ARG 592.A NE ASP 590.A OD2 no hydrogen 2.941 N/A ARG 592.A NH2 ASP 590.A OD2 no hydrogen 2.866 N/A VAL 593.A N PHE 448.A O no hydrogen 3.232 N/A THR 594.A N THR 482.A O no hydrogen 2.846 N/A THR 594.A OG1 HIS 484.A NE2 no hydrogen 2.546 N/A VAL 595.A N LEU 446.A O no hydrogen 2.754 N/A ASN 596.A N SER 480.A O no hydrogen 2.789 N/A ASN 597.A N ASN 444.A O no hydrogen 2.980 N/A VAL 598.A N LEU 416.A O no hydrogen 2.817 N/A LEU 599.A N VAL 478.A O no hydrogen 2.976 N/A LEU 600.A N GLY 414.A O no hydrogen 2.917 N/A TYR 601.A N THR 476.A O no hydrogen 2.836 N/A TYR 601.A OH THR 408.A O no hydrogen 2.464 N/A ASN 602.A N GLY 411.A O no hydrogen 2.946 N/A ARG 603.A NE VAL 410.A O no hydrogen 2.807 N/A ARG 603.A NH1 GLU 609.A OE1 no hydrogen 2.883 N/A ARG 603.A NH1 GLU 609.A OE2 no hydrogen 3.506 N/A ARG 603.A NH2 VAL 410.A O no hydrogen 2.612 N/A ARG 603.A NH2 GLU 609.A OE2 no hydrogen 3.289 N/A GLN 604.A NE2 THR 543.A OG1 no hydrogen 2.847 N/A LEU 605.A N THR 476.A OG1 no hydrogen 3.002 N/A ASN 606.A N GLU 609.A OE1 no hydrogen 3.142 N/A GLU 609.A N ASN 606.A OD1 no hydrogen 3.139 N/A ILE 610.A N ASN 606.A O no hydrogen 3.034 N/A ARG 611.A N ALA 607.A O no hydrogen 2.923 N/A THR 612.A N GLU 608.A O no hydrogen 2.846 N/A THR 612.A OG1 GLU 608.A O no hydrogen 2.872 N/A LEU 613.A N GLU 609.A O no hydrogen 3.214 N/A PHE 614.A N ILE 610.A O no hydrogen 3.037 N/A LEU 615.A N ARG 611.A O no hydrogen 3.188 N/A SER 616.A N LEU 613.A O no hydrogen 3.171 N/A SER 616.A OG THR 612.A O no hydrogen 2.647 N/A GLN 617.A N PHE 614.A O no hydrogen 3.160 N/A GLN 617.A NE2 SER 480.A OG no hydrogen 2.546 N/A LEU 619.A N SER 616.A O no hydrogen 2.680 N/A THR 622.A N SER 417.A OG no hydrogen 3.135 N/A GLU 623.A N ASN 444.A OD1 no hydrogen 2.999 N/A HIS 625.A N THR 622.A O no hydrogen 2.725 N/A MET 626.A N ALA 624.A O no hydrogen 3.232 N/A