Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3br9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 55.A OD1 no hydrogen 3.158 N/A SER 1.A N ARG 56.A O no hydrogen 3.104 N/A SER 3.A N PHE 54.A O no hydrogen 2.832 N/A SER 3.A OG VAL 52.A O no hydrogen 2.666 N/A SER 3.A OG PHE 54.A O no hydrogen 3.243 N/A THR 5.A N TYR 271.A O no hydrogen 2.861 N/A TRP 6.A NE1 THR 53.A OG1 no hydrogen 2.715 N/A THR 7.A N CYS 269.A O no hydrogen 2.772 N/A THR 7.A OG1 ASN 268.A O no hydrogen 2.711 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.130 N/A THR 12.A OG1 SER 264.A OG no hydrogen 2.676 N/A ASN 24.A N SER 27.A OG no hydrogen 3.065 N/A ASN 24.A ND2 THR 394.A O no hydrogen 2.829 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 2.861 N/A SER 27.A N ASN 24.A O no hydrogen 3.315 N/A SER 27.A N ASN 24.A OD1 no hydrogen 3.132 N/A SER 27.A OG ASN 24.A OD1 no hydrogen 3.396 N/A SER 29.A N LEU 26.A O no hydrogen 3.068 N/A SER 29.A OG LEU 26.A O no hydrogen 2.607 N/A LEU 30.A N SER 27.A O no hydrogen 2.924 N/A LEU 31.A N SER 27.A O no hydrogen 2.943 N/A ARG 32.A N GLY 488.A O no hydrogen 2.989 N/A HIS 33.A N LEU 487.A O no hydrogen 2.898 N/A HIS 33.A ND1 LYS 486.A O no hydrogen 2.803 N/A HIS 34.A N ARG 32.A O no hydrogen 2.871 N/A MET 36.A N HIS 33.A O no hydrogen 2.966 N/A VAL 37.A N HIS 34.A O no hydrogen 3.170 N/A TYR 38.A N PHE 145.A O no hydrogen 3.106 N/A ALA 39.A N SER 19.A O no hydrogen 2.824 N/A THR 40.A N GLU 143.A O no hydrogen 2.893 N/A THR 40.A OG1 LYS 141.A O no hydrogen 2.606 N/A THR 40.A OG1 GLU 143.A O no hydrogen 3.498 N/A SER 42.A N GLU 17.A OE1 no hydrogen 3.249 N/A SER 42.A N GLU 17.A OE2 no hydrogen 2.962 N/A SER 42.A OG GLU 17.A OE1 no hydrogen 2.762 N/A ARG 43.A N THR 41.A OG1 no hydrogen 3.288 N/A SER 44.A N THR 41.A O no hydrogen 3.220 N/A SER 44.A OG THR 41.A O no hydrogen 3.328 N/A ALA 45.A N SER 42.A O no hydrogen 2.971 N/A LEU 47.A N SER 44.A O no hydrogen 3.159 N/A ARG 48.A N SER 44.A O no hydrogen 3.400 N/A ARG 48.A NE ALA 152.A O no hydrogen 3.003 N/A ARG 48.A NH2 PRO 151.A O no hydrogen 2.831 N/A GLN 49.A N ALA 45.A O no hydrogen 2.748 N/A LYS 50.A N GLY 46.A O no hydrogen 3.039 N/A LYS 51.A N LEU 47.A O no hydrogen 3.104 N/A VAL 52.A N ARG 48.A O no hydrogen 2.847 N/A THR 53.A N LYS 50.A O no hydrogen 3.306 N/A THR 53.A OG1 GLN 49.A O no hydrogen 2.345 N/A PHE 54.A N SER 3.A OG no hydrogen 3.104 N/A ARG 56.A N SER 1.A O no hydrogen 2.985 N/A ARG 56.A NE SER 1.A O no hydrogen 2.773 N/A ARG 56.A NH1 SER 221.A O no hydrogen 2.704 N/A ARG 56.A NH1 VAL 223.A O no hydrogen 2.695 N/A ARG 56.A NH1 ARG 273.A O no hydrogen 3.481 N/A ARG 56.A NH2 SER 1.A O no hydrogen 3.483 N/A ARG 56.A NH2 SER 1.A OG no hydrogen 3.090 N/A ARG 56.A NH2 ARG 273.A O no hydrogen 2.884 N/A GLN 58.A NE2 ASP 227.A OD1 no hydrogen 2.857 N/A GLN 58.A NE2 ASP 227.A OD2 no hydrogen 3.470 N/A GLN 58.A NE2 TYR 341.A O no hydrogen 2.877 N/A VAL 59.A N ARG 340.A O no hydrogen 2.816 N/A TYR 64.A N ASP 61.A OD1 no hydrogen 3.219 N/A ARG 65.A N ASP 61.A O no hydrogen 3.055 N/A ARG 65.A NH1 LEU 60.A O no hydrogen 2.976 N/A ARG 65.A NH2 ASP 62.A OD1 no hydrogen 3.332 N/A ASP 66.A N ASP 62.A O no hydrogen 2.651 N/A VAL 67.A N HIS 63.A O no hydrogen 2.990 N/A LEU 68.A N TYR 64.A O no hydrogen 3.040 N/A LYS 69.A N ARG 65.A O no hydrogen 2.953 N/A GLU 70.A N ASP 66.A O no hydrogen 2.919 N/A MET 71.A N VAL 67.A O no hydrogen 2.751 N/A LYS 72.A N LEU 68.A O no hydrogen 2.782 N/A ALA 73.A N LYS 69.A O no hydrogen 2.961 N/A LYS 74.A N GLU 70.A O no hydrogen 3.072 N/A ALA 75.A N MET 71.A O no hydrogen 2.815 N/A SER 76.A N LYS 72.A O no hydrogen 2.808 N/A SER 76.A N ALA 73.A O no hydrogen 3.298 N/A SER 76.A OG ALA 73.A O no hydrogen 2.593 N/A THR 77.A N LYS 74.A O no hydrogen 3.073 N/A THR 77.A OG1 LYS 74.A O no hydrogen 2.669 N/A VAL 78.A N ALA 75.A O no hydrogen 3.214 N/A ALA 80.A N ASP 239.A O no hydrogen 3.068 N/A LYS 81.A N ASP 172.A OD2 no hydrogen 2.811 N/A LEU 83.A N MET 168.A O no hydrogen 2.871 N/A SER 84.A N GLU 87.A OE2 no hydrogen 2.746 N/A SER 84.A OG GLU 87.A OE2 no hydrogen 3.064 N/A GLU 87.A N SER 84.A OG no hydrogen 2.942 N/A ALA 88.A N SER 84.A O no hydrogen 3.040 N/A CYS 89.A N VAL 85.A O no hydrogen 2.774 N/A CYS 89.A SG VAL 85.A O no hydrogen 3.260 N/A LYS 90.A N GLU 86.A O no hydrogen 2.908 N/A LYS 90.A NZ ARG 109.A O no hydrogen 3.204 N/A LEU 91.A N GLU 87.A O no hydrogen 3.296 N/A LEU 91.A N ALA 88.A O no hydrogen 3.141 N/A THR 92.A N CYS 89.A O no hydrogen 3.069 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.547 N/A THR 92.A OG1 CYS 89.A O no hydrogen 3.360 N/A SER 96.A N PRO 93.A O no hydrogen 3.226 N/A SER 96.A OG ASP 554.A OD1 no hydrogen 2.699 N/A SER 96.A OG ASP 554.A OD2 no hydrogen 2.981 N/A SER 99.A N TYR 103.A O no hydrogen 2.771 N/A SER 99.A OG ASP 159.A OD1 no hydrogen 2.996 N/A SER 99.A OG ASP 159.A OD2 no hydrogen 2.655 N/A LYS 100.A N ASP 159.A OD1 no hydrogen 2.777 N/A LYS 100.A NZ ASP 135.A OD2 no hydrogen 2.785 N/A PHE 101.A N SER 99.A OG no hydrogen 3.042 N/A TYR 103.A OH HIS 118.A ND1 no hydrogen 2.467 N/A GLY 104.A N ASP 107.A OD2 no hydrogen 2.838 N/A VAL 108.A N GLY 104.A O no hydrogen 3.137 N/A ARG 109.A N ALA 105.A O no hydrogen 2.778 N/A ARG 109.A NH1 LYS 90.A O no hydrogen 2.715 N/A ARG 109.A NH1 THR 92.A O no hydrogen 2.762 N/A ASN 110.A N LYS 106.A O no hydrogen 2.976 N/A ASN 110.A ND2 ASP 107.A O no hydrogen 3.541 N/A LEU 111.A N VAL 108.A O no hydrogen 3.089 N/A SER 112.A N ASP 107.A O no hydrogen 2.780 N/A SER 112.A OG ASP 107.A O no hydrogen 3.468 N/A LYS 114.A NZ GLY 102.A O no hydrogen 3.362 N/A ALA 115.A N SER 112.A O no hydrogen 3.119 N/A VAL 116.A N SER 112.A O no hydrogen 3.069 N/A ASN 117.A N SER 113.A O no hydrogen 2.962 N/A HIS 118.A N LYS 114.A O no hydrogen 3.343 N/A HIS 118.A ND1 TYR 103.A OH no hydrogen 2.467 N/A ILE 119.A N ALA 115.A O no hydrogen 2.803 N/A HIS 120.A N VAL 116.A O no hydrogen 2.939 N/A SER 121.A N ASN 117.A O no hydrogen 3.068 N/A SER 121.A OG HIS 118.A O no hydrogen 2.575 N/A VAL 122.A N HIS 118.A O no hydrogen 2.782 N/A TRP 123.A N ILE 119.A O no hydrogen 2.924 N/A TRP 123.A NE1 GLU 243.A OE2 no hydrogen 3.059 N/A LYS 124.A N HIS 120.A O no hydrogen 3.007 N/A LYS 124.A NZ GLU 128.A OE1 no hydrogen 2.931 N/A LYS 124.A NZ GLU 128.A OE2 no hydrogen 3.000 N/A ASP 125.A N SER 121.A O no hydrogen 2.897 N/A LEU 126.A N VAL 122.A O no hydrogen 2.763 N/A LEU 127.A N TRP 123.A O no hydrogen 2.884 N/A GLU 128.A N LYS 124.A O no hydrogen 2.951 N/A GLU 128.A N ASP 125.A O no hydrogen 2.895 N/A ASP 129.A N ASP 125.A O no hydrogen 2.792 N/A VAL 131.A N ASP 129.A OD1 no hydrogen 2.848 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.792 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.046 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.422 N/A ILE 134.A N ARG 254.A O no hydrogen 2.749 N/A THR 136.A OG1 PRO 260.A O no hydrogen 2.780 N/A THR 137.A N PHE 157.A O no hydrogen 2.821 N/A ILE 138.A N THR 262.A O no hydrogen 2.917 N/A MET 139.A N ILE 155.A O no hydrogen 2.861 N/A LYS 141.A N ARG 153.A O no hydrogen 2.748 N/A ASN 142.A ND2 GLU 17.A OE2 no hydrogen 2.908 N/A ASN 142.A ND2 THR 40.A O no hydrogen 2.900 N/A GLU 143.A N THR 40.A OG1 no hydrogen 2.969 N/A PHE 145.A N TYR 38.A O no hydrogen 2.995 N/A CYS 146.A SG MET 36.A O no hydrogen 3.967 N/A CYS 146.A SG VAL 147.A O no hydrogen 3.194 N/A VAL 147.A N MET 36.A O no hydrogen 2.711 N/A LYS 150.A N TYR 38.A OH no hydrogen 2.927 N/A ALA 152.A N SER 44.A OG no hydrogen 2.804 N/A ILE 155.A N MET 139.A O no hydrogen 2.818 N/A VAL 156.A N SER 277.A OG no hydrogen 3.277 N/A PHE 157.A N THR 137.A O no hydrogen 2.973 N/A GLY 161.A N ASP 159.A OD2 no hydrogen 2.812 N/A ARG 163.A N ASP 159.A O no hydrogen 3.057 N/A ARG 163.A NE ASP 554.A OD2 no hydrogen 2.744 N/A ARG 163.A NH1 PRO 158.A O no hydrogen 2.825 N/A ARG 163.A NH2 SER 96.A OG no hydrogen 2.540 N/A ARG 163.A NH2 ALA 97.A O no hydrogen 2.834 N/A ARG 163.A NH2 ASP 554.A OD2 no hydrogen 3.541 N/A VAL 164.A N LEU 160.A O no hydrogen 3.126 N/A CYS 165.A N GLY 161.A O no hydrogen 3.207 N/A CYS 165.A SG ILE 119.A O no hydrogen 3.465 N/A CYS 165.A SG GLY 161.A O no hydrogen 3.429 N/A GLU 166.A N VAL 162.A O no hydrogen 2.733 N/A LYS 167.A N ARG 163.A O no hydrogen 3.059 N/A LYS 167.A NZ ASP 554.A O no hydrogen 2.876 N/A LYS 167.A NZ ASP 554.A OD2 no hydrogen 3.446 N/A MET 168.A N VAL 164.A O no hydrogen 2.956 N/A ALA 169.A N CYS 165.A O no hydrogen 3.061 N/A LEU 170.A N GLU 166.A O no hydrogen 2.728 N/A TYR 171.A N LYS 167.A O no hydrogen 2.897 N/A TYR 171.A OH HIS 557.A NE2 no hydrogen 2.885 N/A VAL 174.A N LEU 170.A O no hydrogen 2.917 N/A SER 175.A N TYR 171.A O no hydrogen 3.007 N/A SER 175.A N ASP 172.A O no hydrogen 3.299 N/A SER 175.A OG TYR 171.A O no hydrogen 2.531 N/A SER 175.A OG TYR 550.A OH no hydrogen 2.937 N/A THR 176.A N ASP 172.A O no hydrogen 2.998 N/A THR 176.A N VAL 173.A O no hydrogen 3.190 N/A THR 176.A OG1 ASP 172.A O no hydrogen 3.045 N/A LEU 177.A N VAL 173.A O no hydrogen 2.858 N/A GLN 179.A NE2 GLN 189.A OE1 no hydrogen 3.242 N/A VAL 180.A N THR 176.A O no hydrogen 3.439 N/A VAL 181.A N LEU 177.A O no hydrogen 2.848 N/A MET 182.A N PRO 178.A O no hydrogen 2.784 N/A GLY 183.A N GLN 179.A O no hydrogen 2.866 N/A SER 185.A N MET 182.A O no hydrogen 2.989 N/A SER 185.A OG MET 308.A O no hydrogen 2.871 N/A TYR 186.A N GLY 183.A O no hydrogen 2.900 N/A GLY 187.A N VAL 310.A O no hydrogen 2.770 N/A GLN 189.A N TYR 186.A O no hydrogen 3.523 N/A GLN 189.A NE2 GLY 183.A O no hydrogen 2.847 N/A GLN 189.A NE2 TYR 186.A O no hydrogen 2.654 N/A TYR 190.A N GLY 187.A O no hydrogen 3.237 N/A TYR 190.A OH SER 184.A O no hydrogen 2.558 N/A SER 191.A N GLN 194.A OE1 no hydrogen 2.894 N/A GLN 194.A N SER 191.A OG no hydrogen 3.205 N/A ARG 195.A N SER 191.A O no hydrogen 2.793 N/A ARG 195.A NH1 ASN 311.A OD1 no hydrogen 2.793 N/A ARG 195.A NH2 SER 360.A OG no hydrogen 2.835 N/A VAL 196.A N PRO 192.A O no hydrogen 3.009 N/A GLU 197.A N GLY 193.A O no hydrogen 2.847 N/A PHE 198.A N GLN 194.A O no hydrogen 2.908 N/A LEU 199.A N ARG 195.A O no hydrogen 3.012 N/A VAL 200.A N VAL 196.A O no hydrogen 2.777 N/A ASN 201.A N GLU 197.A O no hydrogen 2.913 N/A THR 202.A N PHE 198.A O no hydrogen 3.066 N/A THR 202.A OG1 PHE 198.A O no hydrogen 2.609 N/A TRP 203.A N LEU 199.A O no hydrogen 2.932 N/A LYS 204.A N VAL 200.A O no hydrogen 2.943 N/A SER 205.A N THR 202.A O no hydrogen 3.127 N/A SER 205.A OG THR 202.A O no hydrogen 2.694 N/A LYS 206.A N TRP 203.A O no hydrogen 3.341 N/A LYS 206.A NZ ASP 305.A O no hydrogen 2.616 N/A LYS 206.A NZ THR 307.A OG1 no hydrogen 2.773 N/A LYS 207.A N GLU 320.A OE2 no hydrogen 2.657 N/A ASN 208.A N GLU 320.A OE1 no hydrogen 2.843 N/A MET 210.A N CYS 319.A O no hydrogen 2.866 N/A GLY 211.A N GLU 352.A O no hydrogen 2.943 N/A PHE 212.A N VAL 317.A O no hydrogen 3.013 N/A SER 213.A OG THR 359.A O no hydrogen 3.336 N/A TYR 214.A N LEU 315.A O no hydrogen 2.896 N/A TYR 214.A OH ALA 343.A O no hydrogen 2.664 N/A ARG 217.A N PRO 344.A O no hydrogen 2.799 N/A SER 221.A OG VAL 52.A O no hydrogen 3.100 N/A THR 222.A N PHE 219.A O no hydrogen 2.866 N/A THR 222.A OG1 PHE 219.A O no hydrogen 2.675 N/A THR 222.A OG1 SER 342.A O no hydrogen 3.223 N/A VAL 223.A N PHE 219.A O no hydrogen 3.156 N/A VAL 223.A N ASP 220.A O no hydrogen 3.240 N/A THR 224.A N ASP 227.A OD2 no hydrogen 2.873 N/A THR 224.A OG1 GLN 58.A OE1 no hydrogen 2.830 N/A ASN 226.A ND2 GLN 58.A OE1 no hydrogen 3.582 N/A ASN 226.A ND2 TYR 64.A OH no hydrogen 3.324 N/A ASN 226.A ND2 ASP 227.A OD1 no hydrogen 3.537 N/A ASP 227.A N THR 224.A OG1 no hydrogen 2.926 N/A ILE 228.A N THR 224.A O no hydrogen 3.004 N/A ARG 229.A N GLU 225.A O no hydrogen 2.891 N/A ARG 229.A NE GLU 225.A OE2 no hydrogen 2.595 N/A ARG 229.A NH1 GLU 253.A OE1 no hydrogen 3.244 N/A ARG 229.A NH1 GLU 253.A OE2 no hydrogen 2.632 N/A ARG 229.A NH2 GLU 225.A OE2 no hydrogen 2.905 N/A ARG 229.A NH2 GLU 253.A OE1 no hydrogen 2.923 N/A VAL 230.A N ASN 226.A O no hydrogen 2.778 N/A GLU 231.A N ASP 227.A O no hydrogen 3.016 N/A GLU 232.A N ILE 228.A O no hydrogen 3.070 N/A SER 233.A N ARG 229.A O no hydrogen 2.872 N/A SER 233.A OG VAL 230.A O no hydrogen 2.512 N/A ILE 234.A N VAL 230.A O no hydrogen 2.945 N/A TYR 235.A N GLU 231.A O no hydrogen 2.931 N/A TYR 235.A OH GLU 231.A OE2 no hydrogen 3.195 N/A GLN 236.A N GLU 232.A O no hydrogen 2.849 N/A GLN 236.A NE2 GLU 232.A OE1 no hydrogen 2.676 N/A GLN 236.A NE2 ARG 245.A O no hydrogen 2.875 N/A CYS 237.A N ILE 234.A O no hydrogen 3.121 N/A CYS 237.A SG LYS 72.A O no hydrogen 3.682 N/A CYS 237.A SG SER 233.A O no hydrogen 3.269 N/A CYS 238.A N TYR 235.A O no hydrogen 2.916 N/A CYS 238.A SG ALA 75.A O no hydrogen 3.824 N/A CYS 238.A SG TYR 235.A O no hydrogen 3.174 N/A ASP 239.A N VAL 78.A O no hydrogen 2.741 N/A ARG 245.A N ALA 241.A O no hydrogen 3.009 N/A ARG 245.A NH1 GLN 236.A O no hydrogen 2.708 N/A ARG 245.A NH1 GLN 236.A OE1 no hydrogen 3.129 N/A ARG 245.A NH2 CYS 238.A O no hydrogen 2.754 N/A GLN 246.A N PRO 242.A O no hydrogen 3.099 N/A GLN 246.A NE2 LEU 127.A O no hydrogen 3.023 N/A ALA 247.A N GLU 243.A O no hydrogen 2.833 N/A ILE 248.A N ALA 244.A O no hydrogen 2.939 N/A LYS 249.A N ARG 245.A O no hydrogen 3.000 N/A SER 250.A N GLN 246.A O no hydrogen 2.919 N/A SER 250.A OG LEU 126.A O no hydrogen 2.959 N/A SER 250.A OG ASP 129.A O no hydrogen 2.981 N/A LEU 251.A N ALA 247.A O no hydrogen 2.814 N/A THR 252.A N ILE 248.A O no hydrogen 2.866 N/A THR 252.A OG1 ILE 248.A O no hydrogen 2.713 N/A GLU 253.A N LYS 249.A O no hydrogen 2.907 N/A ARG 254.A N SER 250.A O no hydrogen 2.797 N/A ARG 254.A NE THR 132.A O no hydrogen 2.581 N/A ARG 254.A NH1 ASP 125.A O no hydrogen 3.274 N/A ARG 254.A NH1 ASP 125.A OD2 no hydrogen 2.918 N/A ARG 254.A NH1 ASP 129.A O no hydrogen 2.704 N/A ARG 254.A NH2 ASP 125.A OD2 no hydrogen 2.599 N/A ARG 254.A NH2 THR 132.A O no hydrogen 3.520 N/A LEU 255.A N LEU 251.A O no hydrogen 2.678 N/A TYR 256.A N LEU 251.A O no hydrogen 2.780 N/A TYR 256.A OH GLU 166.A OE1 no hydrogen 2.704 N/A ILE 257.A N THR 252.A O no hydrogen 3.005 N/A GLY 258.A N LEU 255.A O no hydrogen 3.108 N/A GLY 259.A N ARG 272.A O no hydrogen 2.969 N/A LEU 261.A N GLY 270.A O no hydrogen 2.864 N/A THR 262.A N THR 136.A O no hydrogen 2.810 N/A THR 262.A OG1 ASP 135.A OD1 no hydrogen 2.708 N/A ASN 263.A N GLN 267.A O no hydrogen 2.890 N/A ASN 263.A ND2 LEU 10.A O no hydrogen 2.855 N/A ASN 263.A ND2 GLN 267.A OE1 no hydrogen 2.697 N/A SER 264.A OG THR 12.A O no hydrogen 3.197 N/A SER 264.A OG THR 12.A OG1 no hydrogen 2.676 N/A SER 264.A OG PRO 13.A O no hydrogen 2.904 N/A GLY 266.A N ASN 263.A O no hydrogen 2.895 N/A GLN 267.A N ASN 263.A OD1 no hydrogen 2.743 N/A ASN 268.A ND2 LEU 261.A O no hydrogen 2.948 N/A ASN 268.A ND2 GLY 270.A O no hydrogen 3.015 N/A CYS 269.A N LEU 261.A O no hydrogen 2.750 N/A CYS 269.A SG ALA 9.A O no hydrogen 3.694 N/A CYS 269.A SG LEU 10.A O no hydrogen 3.663 N/A TYR 271.A N THR 5.A O no hydrogen 2.630 N/A ARG 272.A N GLY 259.A O no hydrogen 2.825 N/A ARG 272.A NH1 LEU 255.A O no hydrogen 3.262 N/A ARG 272.A NH1 TYR 256.A O no hydrogen 3.012 N/A ARG 272.A NH1 CYS 274.A O no hydrogen 2.782 N/A ARG 272.A NH2 LEU 255.A O no hydrogen 2.589 N/A ARG 273.A N SER 3.A O no hydrogen 2.806 N/A ARG 273.A NH1 MET 2.A O no hydrogen 2.883 N/A ARG 273.A NH1 THR 5.A OG1 no hydrogen 3.085 N/A ARG 273.A NH2 THR 5.A OG1 no hydrogen 2.893 N/A CYS 274.A SG SER 3.A O no hydrogen 3.733 N/A CYS 274.A SG ARG 275.A O no hydrogen 3.876 N/A ARG 275.A N ASP 220.A O no hydrogen 3.164 N/A ARG 275.A NE ASN 286.A OD1 no hydrogen 2.659 N/A ARG 275.A NH1 GLU 231.A OE1 no hydrogen 2.843 N/A ARG 275.A NH1 GLU 231.A OE2 no hydrogen 2.884 N/A ARG 275.A NH2 GLU 231.A OE1 no hydrogen 2.626 N/A ARG 275.A NH2 ASN 286.A OD1 no hydrogen 3.411 N/A SER 277.A OG LEU 154.A O no hydrogen 2.964 N/A VAL 279.A N THR 282.A OG1 no hydrogen 3.116 N/A LEU 280.A N GLU 166.A OE1 no hydrogen 2.753 N/A THR 282.A N VAL 279.A O no hydrogen 2.945 N/A THR 282.A OG1 ALA 276.A O no hydrogen 2.746 N/A THR 282.A OG1 VAL 279.A O no hydrogen 2.953 N/A GLY 285.A N THR 281.A O no hydrogen 2.713 N/A ASN 286.A N THR 282.A O no hydrogen 2.918 N/A ASN 286.A ND2 ASP 220.A OD1 no hydrogen 2.812 N/A THR 287.A N SER 283.A O no hydrogen 2.850 N/A THR 287.A OG1 SER 283.A O no hydrogen 2.596 N/A LEU 288.A N CYS 284.A O no hydrogen 2.845 N/A THR 289.A N GLY 285.A O no hydrogen 2.863 N/A THR 289.A OG1 GLY 285.A O no hydrogen 2.789 N/A CYS 290.A N ASN 286.A O no hydrogen 2.624 N/A TYR 291.A N THR 287.A O no hydrogen 2.768 N/A LEU 292.A N LEU 288.A O no hydrogen 2.697 N/A LYS 293.A N THR 289.A O no hydrogen 2.968 N/A LYS 293.A NZ ASP 227.A OD1 no hydrogen 3.381 N/A LYS 293.A NZ ASP 227.A OD2 no hydrogen 2.663 N/A LYS 293.A NZ TYR 341.A O no hydrogen 2.864 N/A LYS 293.A NZ SER 342.A O no hydrogen 3.135 N/A ALA 294.A N CYS 290.A O no hydrogen 2.896 N/A SER 295.A N TYR 291.A O no hydrogen 2.786 N/A SER 295.A OG TYR 291.A O no hydrogen 2.422 N/A ALA 296.A N LEU 292.A O no hydrogen 3.121 N/A ALA 297.A N LYS 293.A O no hydrogen 2.747 N/A CYS 298.A N ALA 294.A O no hydrogen 2.765 N/A CYS 298.A SG ALA 294.A O no hydrogen 3.176 N/A ARG 299.A N SER 295.A O no hydrogen 3.259 N/A ARG 299.A NH1 GLU 70.A OE2 no hydrogen 2.877 N/A ARG 299.A NH2 GLU 70.A OE1 no hydrogen 2.770 N/A ARG 299.A NH2 GLU 70.A OE2 no hydrogen 2.764 N/A ALA 300.A N ALA 296.A O no hydrogen 2.950 N/A ALA 301.A N ALA 297.A O no hydrogen 2.977 N/A LYS 302.A N ARG 299.A O no hydrogen 2.988 N/A LEU 303.A N CYS 298.A O no hydrogen 3.013 N/A THR 307.A N ILE 318.A O no hydrogen 2.726 N/A LEU 309.A N VAL 316.A O no hydrogen 2.683 N/A VAL 310.A N SER 185.A O no hydrogen 2.855 N/A ASN 311.A N ASP 314.A O no hydrogen 2.816 N/A GLY 312.A N THR 287.A OG1 no hydrogen 2.815 N/A ASP 314.A N ASN 311.A O no hydrogen 2.862 N/A VAL 316.A N LEU 309.A O no hydrogen 2.880 N/A VAL 317.A N PHE 212.A O no hydrogen 2.988 N/A ILE 318.A N THR 307.A O no hydrogen 2.772 N/A CYS 319.A N MET 210.A O no hydrogen 2.752 N/A CYS 319.A SG MET 210.A O no hydrogen 3.787 N/A CYS 319.A SG GLU 320.A O no hydrogen 3.988 N/A GLU 320.A N GLN 304.A O no hydrogen 2.817 N/A SER 321.A N ASN 208.A O no hydrogen 2.598 N/A SER 321.A OG ASP 327.A OD1 no hydrogen 3.536 N/A SER 321.A OG ASP 327.A OD2 no hydrogen 2.590 N/A ALA 322.A N ASP 327.A OD1 no hydrogen 2.889 N/A GLY 323.A N SER 321.A OG no hydrogen 2.856 N/A ASP 327.A N GLY 323.A O no hydrogen 2.833 N/A ALA 328.A N THR 324.A O no hydrogen 2.981 N/A ALA 329.A N GLN 325.A O no hydrogen 3.148 N/A SER 330.A N GLU 326.A O no hydrogen 2.838 N/A SER 330.A OG GLU 326.A O no hydrogen 3.089 N/A LEU 331.A N ASP 327.A O no hydrogen 2.928 N/A ARG 332.A N ALA 328.A O no hydrogen 3.045 N/A VAL 333.A N ALA 329.A O no hydrogen 3.090 N/A PHE 334.A N SER 330.A O no hydrogen 2.814 N/A THR 335.A N LEU 331.A O no hydrogen 2.739 N/A THR 335.A OG1 LEU 331.A O no hydrogen 2.646 N/A GLU 336.A N ARG 332.A O no hydrogen 2.808 N/A ALA 337.A N VAL 333.A O no hydrogen 2.802 N/A MET 338.A N PHE 334.A O no hydrogen 2.919 N/A THR 339.A N THR 335.A O no hydrogen 2.786 N/A THR 339.A OG1 THR 335.A O no hydrogen 2.753 N/A ARG 340.A N GLU 336.A O no hydrogen 2.796 N/A TYR 341.A N ALA 337.A O no hydrogen 2.945 N/A TYR 341.A OH ASP 61.A OD1 no hydrogen 2.632 N/A SER 342.A N THR 339.A O no hydrogen 2.858 N/A SER 342.A OG THR 222.A O no hydrogen 2.595 N/A ALA 343.A N MET 338.A O no hydrogen 2.832 N/A GLY 346.A N ASP 215.A O no hydrogen 2.718 N/A ASP 347.A N ASP 215.A OD2 no hydrogen 3.303 N/A GLU 352.A N GLY 211.A O no hydrogen 2.752 N/A TYR 353.A OH ASP 327.A OD2 no hydrogen 2.505 N/A GLU 356.A N ASP 354.A OD1 no hydrogen 3.202 N/A LEU 357.A N ASP 354.A O no hydrogen 2.896 N/A ILE 358.A N LEU 355.A O no hydrogen 2.971 N/A SER 360.A N SER 363.A O no hydrogen 2.834 N/A CYS 361.A N ASP 314.A OD1 no hydrogen 2.824 N/A CYS 361.A N ASP 314.A OD2 no hydrogen 2.903 N/A SER 363.A N SER 360.A O no hydrogen 3.116 N/A SER 363.A OG CYS 361.A O no hydrogen 2.798 N/A SER 363.A OG TYR 410.A OH no hydrogen 2.728 N/A ASN 364.A N THR 380.A O no hydrogen 2.841 N/A ASN 364.A ND2 VAL 365.A O no hydrogen 2.953 N/A SER 366.A N TYR 378.A O no hydrogen 2.729 N/A VAL 367.A N SER 366.A OG no hydrogen 2.794 N/A ALA 368.A N VAL 376.A O no hydrogen 3.009 N/A HIS 369.A N HIS 470.A O no hydrogen 2.714 N/A HIS 369.A ND1 GLY 373.A O no hydrogen 3.154 N/A ASP 370.A N LYS 374.A O no hydrogen 2.952 N/A SER 372.A OG ASP 370.A OD1 no hydrogen 3.356 N/A GLY 373.A N ASP 370.A O no hydrogen 3.068 N/A VAL 376.A N ALA 368.A O no hydrogen 2.838 N/A TYR 378.A N SER 366.A O no hydrogen 2.862 N/A THR 380.A N ASN 364.A O no hydrogen 2.952 N/A THR 380.A OG1 ARG 381.A O no hydrogen 3.366 N/A THR 380.A OG1 GLU 476.A OE2 no hydrogen 2.678 N/A ARG 381.A NE ASP 382.A O no hydrogen 2.688 N/A THR 384.A N ASP 382.A OD1 no hydrogen 2.806 N/A THR 384.A OG1 ASP 382.A OD1 no hydrogen 2.742 N/A LEU 387.A N PRO 383.A O no hydrogen 2.855 N/A ALA 388.A N THR 384.A O no hydrogen 2.859 N/A ARG 389.A N THR 385.A O no hydrogen 2.899 N/A ARG 389.A NE VAL 144.A O no hydrogen 2.670 N/A ARG 389.A NH2 VAL 144.A O no hydrogen 2.964 N/A ALA 390.A N PRO 386.A O no hydrogen 2.763 N/A ALA 391.A N LEU 387.A O no hydrogen 2.776 N/A TRP 392.A N ALA 388.A O no hydrogen 3.098 N/A GLU 393.A N ARG 389.A O no hydrogen 2.826 N/A THR 394.A N ALA 390.A O no hydrogen 2.806 N/A THR 394.A N ALA 391.A O no hydrogen 3.216 N/A THR 394.A OG1 ALA 390.A O no hydrogen 2.710 N/A THR 394.A OG1 HIS 423.A NE2 no hydrogen 2.809 N/A ALA 395.A N TRP 392.A O no hydrogen 3.171 N/A ARG 396.A N TRP 392.A O no hydrogen 2.869 N/A ARG 396.A NE GLU 18.A OE1 no hydrogen 2.707 N/A ARG 396.A NH2 GLU 18.A OE1 no hydrogen 3.066 N/A ARG 396.A NH2 GLU 18.A OE2 no hydrogen 2.460 N/A THR 398.A OG1 VAL 400.A O no hydrogen 2.857 N/A ASN 401.A N ASP 439.A O no hydrogen 2.745 N/A ASN 401.A ND2 ASP 439.A O no hydrogen 2.872 N/A SER 402.A N GLU 393.A OE2 no hydrogen 2.719 N/A SER 402.A OG GLU 393.A OE1 no hydrogen 3.193 N/A SER 402.A OG GLU 393.A OE2 no hydrogen 3.004 N/A TRP 403.A N GLU 393.A OE1 no hydrogen 2.838 N/A LEU 404.A N ASN 401.A O no hydrogen 2.861 N/A GLY 405.A N ASN 401.A O no hydrogen 3.002 N/A ASN 406.A N SER 402.A O no hydrogen 2.705 N/A ILE 407.A N TRP 403.A O no hydrogen 2.886 N/A ILE 408.A N LEU 404.A O no hydrogen 3.027 N/A MET 409.A N GLY 405.A O no hydrogen 2.776 N/A TYR 410.A N ASN 406.A O no hydrogen 2.705 N/A TYR 410.A OH SER 363.A OG no hydrogen 2.728 N/A THR 413.A N TYR 410.A O no hydrogen 2.896 N/A THR 413.A OG1 TYR 410.A O no hydrogen 2.740 N/A TRP 415.A NE1 THR 380.A OG1 no hydrogen 3.008 N/A ALA 416.A N THR 413.A OG1 no hydrogen 3.127 N/A ARG 417.A N THR 413.A O no hydrogen 3.307 N/A ARG 417.A NH1 LEU 469.A O no hydrogen 2.859 N/A ARG 417.A NH1 TYR 472.A OH no hydrogen 2.791 N/A MET 418.A N LEU 414.A O no hydrogen 3.013 N/A ILE 419.A N TRP 415.A O no hydrogen 3.190 N/A LEU 420.A N TRP 415.A O no hydrogen 3.356 N/A MET 421.A N ALA 416.A O no hydrogen 2.868 N/A THR 422.A OG1 ARG 417.A O no hydrogen 3.522 N/A THR 422.A OG1 MET 418.A O no hydrogen 2.638 N/A HIS 423.A N ILE 419.A O no hydrogen 2.864 N/A HIS 423.A NE2 THR 394.A OG1 no hydrogen 2.809 N/A PHE 424.A N LEU 420.A O no hydrogen 2.944 N/A PHE 425.A N MET 421.A O no hydrogen 2.895 N/A SER 426.A N THR 422.A O no hydrogen 2.924 N/A ILE 427.A N HIS 423.A O no hydrogen 2.901 N/A LEU 428.A N PHE 424.A O no hydrogen 2.817 N/A LEU 429.A N PHE 425.A O no hydrogen 2.898 N/A ALA 430.A N SER 426.A O no hydrogen 3.106 N/A GLN 431.A N ILE 427.A O no hydrogen 3.207 N/A GLN 431.A N LEU 428.A O no hydrogen 3.221 N/A GLU 432.A N LEU 429.A O no hydrogen 2.861 N/A GLN 433.A N LEU 428.A O no hydrogen 2.814 N/A LYS 436.A N GLN 433.A O no hydrogen 3.218 N/A LEU 438.A N ILE 449.A O no hydrogen 2.554 N/A CYS 440.A N TYR 447.A O no hydrogen 2.844 N/A ILE 442.A N ALA 445.A O no hydrogen 2.863 N/A TYR 443.A OH TYR 190.A O no hydrogen 2.614 N/A ALA 445.A N ILE 442.A O no hydrogen 2.963 N/A CYS 446.A N ILE 555.A O no hydrogen 2.863 N/A CYS 446.A SG HIS 95.A NE2 no hydrogen 3.551 N/A TYR 447.A N CYS 440.A O no hydrogen 2.774 N/A TYR 447.A OH GLY 544.A O no hydrogen 2.959 N/A ILE 449.A N LEU 438.A O no hydrogen 2.591 N/A ASP 453.A N GLU 450.A O no hydrogen 2.774 N/A LEU 454.A N PRO 451.A O no hydrogen 2.932 N/A GLN 456.A N GLN 456.A OE1 no hydrogen 2.852 N/A GLN 456.A NE2 ASP 453.A OD2 no hydrogen 2.697 N/A ILE 457.A N ASP 453.A O no hydrogen 2.829 N/A ILE 458.A N LEU 454.A O no hydrogen 2.767 N/A GLU 459.A N PRO 455.A O no hydrogen 2.848 N/A ARG 460.A N GLN 456.A O no hydrogen 2.868 N/A ARG 460.A NH1 ALA 537.A O no hydrogen 2.664 N/A ARG 460.A NH1 LEU 540.A O no hydrogen 2.815 N/A ARG 460.A NH2 LEU 540.A O no hydrogen 2.826 N/A LEU 461.A N ILE 457.A O no hydrogen 2.822 N/A HIS 462.A N ILE 458.A O no hydrogen 2.780 N/A HIS 462.A NE2 ILE 408.A O no hydrogen 2.766 N/A GLY 463.A N GLU 459.A O no hydrogen 2.833 N/A ALA 466.A N GLY 463.A O no hydrogen 2.933 N/A PHE 467.A N LEU 464.A O no hydrogen 3.047 N/A SER 468.A N SER 465.A O no hydrogen 2.901 N/A SER 468.A OG LEU 464.A O no hydrogen 3.555 N/A HIS 470.A N HIS 369.A O no hydrogen 2.845 N/A HIS 470.A ND1 SER 471.A OG no hydrogen 2.578 N/A HIS 470.A NE2 ASP 370.A O no hydrogen 2.615 N/A SER 471.A OG HIS 470.A ND1 no hydrogen 2.578 N/A TYR 472.A OH PRO 412.A O no hydrogen 2.533 N/A GLU 476.A N SER 473.A OG no hydrogen 2.901 N/A ILE 477.A N SER 473.A O no hydrogen 2.857 N/A ASN 478.A N PRO 474.A O no hydrogen 2.756 N/A ARG 479.A N GLY 475.A O no hydrogen 2.979 N/A ARG 479.A NH1 ASN 364.A OD1 no hydrogen 3.235 N/A ARG 479.A NH2 ASN 364.A OD1 no hydrogen 2.651 N/A ARG 479.A NH2 GLU 476.A OE1 no hydrogen 2.977 N/A VAL 480.A N GLU 476.A O no hydrogen 2.990 N/A ALA 481.A N ILE 477.A O no hydrogen 2.881 N/A SER 482.A N ASN 478.A O no hydrogen 2.901 N/A CYS 483.A N ARG 479.A O no hydrogen 2.913 N/A CYS 483.A SG THR 384.A OG1 no hydrogen 3.391 N/A LEU 484.A N VAL 480.A O no hydrogen 2.844 N/A ARG 485.A N ALA 481.A O no hydrogen 3.037 N/A LYS 486.A N SER 482.A O no hydrogen 3.096 N/A LYS 486.A NZ THR 384.A OG1 no hydrogen 2.756 N/A LEU 487.A N CYS 483.A O no hydrogen 3.099 N/A VAL 489.A N LEU 484.A O no hydrogen 2.781 N/A VAL 494.A N PRO 491.A O no hydrogen 2.837 N/A TRP 495.A N PRO 491.A O no hydrogen 3.318 N/A ARG 496.A N LEU 492.A O no hydrogen 2.899 N/A HIS 497.A N ARG 493.A O no hydrogen 3.199 N/A ARG 498.A N VAL 494.A O no hydrogen 2.797 N/A ARG 498.A NH1 SER 29.A O no hydrogen 2.654 N/A ALA 499.A N TRP 495.A O no hydrogen 2.791 N/A ARG 500.A N ARG 496.A O no hydrogen 3.052 N/A ARG 500.A N HIS 497.A O no hydrogen 2.989 N/A ARG 500.A NE ALA 524.A O no hydrogen 2.980 N/A SER 501.A N HIS 497.A O no hydrogen 3.304 N/A VAL 502.A N ARG 498.A O no hydrogen 2.745 N/A ARG 503.A N ALA 499.A O no hydrogen 2.729 N/A ALA 504.A N ARG 500.A O no hydrogen 3.157 N/A ARG 505.A N SER 501.A O no hydrogen 2.918 N/A LEU 506.A N VAL 502.A O no hydrogen 2.935 N/A LEU 507.A N ARG 503.A O no hydrogen 2.802 N/A SER 508.A N ALA 504.A O no hydrogen 2.978 N/A SER 508.A OG ALA 504.A O no hydrogen 2.787 N/A GLN 509.A N LEU 506.A O no hydrogen 2.986 N/A GLN 509.A NE2 ARG 505.A O no hydrogen 3.345 N/A GLY 510.A N LEU 507.A O no hydrogen 2.994 N/A ARG 512.A NH1 GLU 450.A OE1 no hydrogen 3.167 N/A ARG 512.A NH1 ASP 453.A OD2 no hydrogen 2.684 N/A ARG 512.A NH2 GLU 450.A OE1 no hydrogen 2.851 N/A ALA 514.A N GLY 510.A O no hydrogen 3.183 N/A THR 515.A N GLY 511.A O no hydrogen 2.882 N/A THR 515.A OG1 GLY 511.A O no hydrogen 2.984 N/A CYS 516.A N ARG 512.A O no hydrogen 2.765 N/A CYS 516.A SG PRO 451.A O no hydrogen 3.969 N/A CYS 516.A SG LEU 452.A O no hydrogen 3.640 N/A CYS 516.A SG ARG 512.A O no hydrogen 3.509 N/A GLY 517.A N ALA 513.A O no hydrogen 2.832 N/A LYS 518.A N ALA 514.A O no hydrogen 2.826 N/A LYS 518.A NZ LYS 530.A O no hydrogen 3.451 N/A TYR 519.A N THR 515.A O no hydrogen 2.849 N/A TYR 519.A OH THR 532.A O no hydrogen 2.601 N/A LEU 520.A N CYS 516.A O no hydrogen 3.003 N/A PHE 521.A N GLY 517.A O no hydrogen 3.327 N/A ASN 522.A N TYR 519.A O no hydrogen 3.500 N/A ASN 522.A ND2 LEU 529.A O no hydrogen 2.948 N/A ALA 524.A N PHE 521.A O no hydrogen 2.847 N/A VAL 525.A N ASN 522.A O no hydrogen 3.511 N/A LEU 529.A N ASN 522.A OD1 no hydrogen 2.839 N/A THR 532.A OG1 PRO 533.A O no hydrogen 3.342 N/A ILE 534.A N GLU 459.A OE2 no hydrogen 2.821 N/A ALA 537.A N ILE 534.A O no hydrogen 3.012 N/A SER 538.A N PRO 535.A O no hydrogen 3.145 N/A GLN 539.A N ALA 536.A O no hydrogen 2.879 N/A LEU 540.A N ALA 537.A O no hydrogen 3.305 N/A SER 543.A OG ASP 541.A OD2 no hydrogen 2.756 N/A GLY 549.A N TYR 186.A OH no hydrogen 3.137 N/A TYR 550.A N TYR 443.A O no hydrogen 2.858 N/A TYR 550.A OH SER 175.A OG no hydrogen 2.937 N/A GLY 553.A N TYR 550.A O no hydrogen 2.709 N/A TYR 556.A N LEU 91.A O no hydrogen 2.584 N/A HIS 557.A N CYS 446.A O no hydrogen 2.726 N/A HIS 557.A ND1 TYR 447.A OH no hydrogen 3.127 N/A HIS 557.A NE2 TYR 171.A OH no hydrogen 2.885 N/A