Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4upl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ALA 2.A O no hydrogen 3.488 N/A VAL 3.A N ALA 387.A O no hydrogen 3.184 N/A ASN 5.A N ASP 321.A O no hydrogen 3.062 N/A ILE 6.A N TRP 225.A O no hydrogen 2.877 N/A LEU 7.A N MET 323.A O no hydrogen 2.772 N/A PHE 8.A N CYS 227.A O no hydrogen 2.868 N/A ILE 9.A N VAL 325.A O no hydrogen 2.780 N/A MET 10.A N LEU 229.A O no hydrogen 2.971 N/A PHE 11.A N THR 327.A O no hydrogen 3.025 N/A ASP 12.A N TYR 231.A O no hydrogen 3.149 N/A GLN 13.A N ASP 329.A OD1 no hydrogen 3.028 N/A GLN 13.A NE2 ASP 332.A OD2 no hydrogen 2.927 N/A GLN 13.A NE2 GLU 341.A OE1 no hydrogen 3.158 N/A ARG 15.A N TYR 295.A OH no hydrogen 3.038 N/A ARG 15.A NE ASP 17.A OD1 no hydrogen 2.937 N/A ARG 15.A NH1 ASP 332.A O no hydrogen 2.842 N/A ARG 15.A NH1 ASP 336.A OD2 no hydrogen 3.093 N/A ARG 15.A NH2 ASP 17.A OD1 no hydrogen 3.474 N/A ARG 15.A NH2 ASP 17.A OD2 no hydrogen 3.065 N/A ARG 15.A NH2 ASP 336.A OD2 no hydrogen 2.892 N/A TYR 18.A N ARG 15.A O no hydrogen 3.383 N/A SER 20.A N THR 29.A OG1 no hydrogen 2.998 N/A SER 20.A OG THR 29.A OG1 no hydrogen 3.007 N/A SER 20.A OG ASP 33.A OD1 no hydrogen 3.455 N/A SER 20.A OG ASP 33.A OD2 no hydrogen 2.522 N/A CYS 21.A N ASP 33.A OD1 no hydrogen 3.005 N/A CYS 21.A SG ASP 33.A OD1 no hydrogen 3.246 N/A TYR 22.A N LEU 19.A O no hydrogen 3.044 N/A TYR 22.A OH PHE 42.A O no hydrogen 2.624 N/A GLY 23.A N SER 20.A O no hydrogen 2.952 N/A HIS 24.A N LEU 19.A O no hydrogen 3.265 N/A LYS 25.A NZ GLY 23.A O no hydrogen 2.739 N/A THR 26.A N HIS 24.A ND1 no hydrogen 3.130 N/A THR 26.A OG1 HIS 252.A O no hydrogen 2.616 N/A LEU 27.A N HIS 24.A ND1 no hydrogen 3.034 N/A THR 29.A N SER 20.A OG no hydrogen 2.758 N/A THR 29.A OG1 SER 20.A OG no hydrogen 3.007 N/A THR 29.A OG1 ASP 33.A OD1 no hydrogen 3.076 N/A HIS 31.A N ASP 303.A OD2 no hydrogen 3.083 N/A ILE 32.A N ASP 303.A OD1 no hydrogen 2.853 N/A ASP 33.A N THR 29.A O no hydrogen 2.888 N/A ARG 34.A N PRO 30.A O no hydrogen 2.838 N/A LEU 35.A N HIS 31.A O no hydrogen 3.205 N/A ALA 36.A N ILE 32.A O no hydrogen 3.072 N/A ALA 37.A N ASP 33.A O no hydrogen 2.935 N/A LYS 38.A N ARG 34.A O no hydrogen 3.163 N/A LYS 38.A N LEU 35.A O no hydrogen 3.040 N/A LYS 38.A NZ GLU 314.A OE2 no hydrogen 3.405 N/A GLY 39.A N ALA 36.A O no hydrogen 3.058 N/A VAL 40.A N ILE 356.A O no hydrogen 2.867 N/A ARG 41.A N SER 369.A O no hydrogen 3.156 N/A PHE 42.A N LEU 354.A O no hydrogen 2.878 N/A ASP 43.A N CYS 371.A O no hydrogen 2.849 N/A ARG 44.A NE ASP 372.A O no hydrogen 2.934 N/A ARG 44.A NE ASP 372.A OD1 no hydrogen 3.321 N/A ARG 44.A NH2 ASP 372.A OD2 no hydrogen 2.919 N/A TYR 46.A N VAL 375.A O no hydrogen 2.877 N/A TYR 46.A OH ASP 347.A OD1 no hydrogen 2.845 N/A ILE 47.A N THR 350.A O no hydrogen 3.014 N/A GLN 48.A NE2 TYR 46.A O no hydrogen 3.110 N/A GLN 48.A NE2 ILE 419.A O no hydrogen 3.171 N/A SER 49.A OG SER 54.A OG no hydrogen 2.742 N/A SER 49.A OG GLU 421.A O no hydrogen 2.916 N/A CYS 52.A SG ASP 12.A OD1 no hydrogen 3.803 N/A CYS 52.A SG ASP 12.A OD2 no hydrogen 3.808 N/A CYS 52.A SG HIS 330.A NE2 no hydrogen 3.506 N/A GLY 53.A N ASN 73.A OD1 no hydrogen 2.809 N/A SER 54.A OG SER 49.A OG no hydrogen 2.742 N/A SER 55.A N ILE 51.A O no hydrogen 3.008 N/A SER 55.A OG ASP 329.A O no hydrogen 2.608 N/A ARG 56.A N CYS 52.A O no hydrogen 2.944 N/A ARG 56.A NE ASP 329.A OD2 no hydrogen 3.042 N/A ARG 56.A NH1 TYR 60.A OH no hydrogen 3.095 N/A ARG 56.A NH1 SER 230.A OG no hydrogen 3.124 N/A ARG 56.A NH2 ASP 12.A OD2 no hydrogen 2.881 N/A ARG 56.A NH2 ASP 329.A OD2 no hydrogen 3.394 N/A MET 57.A N GLY 53.A O no hydrogen 2.927 N/A SER 58.A N SER 54.A O no hydrogen 3.072 N/A SER 58.A OG SER 54.A O no hydrogen 3.055 N/A SER 58.A OG ARG 63.A O no hydrogen 3.366 N/A SER 58.A OG HIS 68.A NE2 no hydrogen 2.994 N/A THR 59.A N SER 55.A O no hydrogen 3.091 N/A THR 59.A OG1 SER 55.A O no hydrogen 3.205 N/A THR 59.A OG1 SER 377.A OG no hydrogen 2.691 N/A TYR 60.A N ARG 56.A O no hydrogen 2.825 N/A TYR 60.A OH HIS 228.A NE2 no hydrogen 2.661 N/A THR 61.A N MET 57.A O no hydrogen 2.999 N/A THR 61.A OG1 MET 57.A O no hydrogen 2.812 N/A THR 61.A OG1 SER 58.A O no hydrogen 3.344 N/A ARG 63.A N SER 58.A O no hydrogen 3.236 N/A ARG 63.A N THR 61.A OG1 no hydrogen 3.201 N/A ARG 63.A NE GLU 81.A OE1 no hydrogen 2.910 N/A ARG 63.A NH1 ILE 396.A O no hydrogen 2.813 N/A ARG 63.A NH1 SER 501.A O no hydrogen 3.002 N/A ARG 63.A NH2 GLU 81.A OE2 no hydrogen 3.347 N/A ARG 63.A NH2 SER 501.A O no hydrogen 3.020 N/A TYR 64.A N GLU 398.A OE1 no hydrogen 2.963 N/A TYR 64.A OH GLU 376.A OE1 no hydrogen 2.475 N/A TYR 64.A OH GLU 376.A OE2 no hydrogen 3.370 N/A HIS 66.A N GLU 421.A OE2 no hydrogen 2.891 N/A SER 67.A N TYR 64.A O no hydrogen 2.780 N/A SER 67.A OG GLU 398.A OE1 no hydrogen 2.736 N/A SER 67.A OG GLU 398.A OE2 no hydrogen 3.197 N/A HIS 68.A N TYR 64.A O no hydrogen 2.982 N/A HIS 68.A NE2 SER 58.A OG no hydrogen 2.994 N/A GLY 69.A N VAL 65.A O no hydrogen 2.871 N/A ALA 70.A N HIS 68.A ND1 no hydrogen 3.006 N/A SER 71.A OG ASP 423.A OD2 no hydrogen 2.565 N/A TRP 72.A NE1 TYR 422.A OH no hydrogen 2.918 N/A ILE 75.A N TRP 72.A O no hydrogen 3.113 N/A VAL 79.A N ASP 106.A OD2 no hydrogen 2.940 N/A GLU 81.A N LYS 78.A O no hydrogen 3.332 N/A THR 83.A N ASP 86.A OD2 no hydrogen 3.269 N/A THR 83.A OG1 ASP 86.A OD2 no hydrogen 3.471 N/A THR 83.A OG1 CYS 128.A O no hydrogen 3.381 N/A MET 84.A N TYR 60.A O no hydrogen 2.661 N/A ASP 86.A N THR 83.A O no hydrogen 2.886 N/A HIS 87.A N THR 83.A O no hydrogen 3.280 N/A LEU 88.A N MET 84.A O no hydrogen 2.898 N/A ARG 89.A N GLY 85.A O no hydrogen 2.918 N/A ARG 89.A NH1 GLY 129.A O no hydrogen 2.956 N/A ARG 89.A NH2 ASP 86.A OD1 no hydrogen 3.221 N/A ARG 89.A NH2 GLY 129.A O no hydrogen 2.765 N/A ALA 90.A N ASP 86.A O no hydrogen 3.061 N/A ALA 91.A N LEU 88.A O no hydrogen 2.969 N/A GLY 92.A N ARG 89.A O no hydrogen 2.935 N/A MET 93.A N LEU 88.A O no hydrogen 2.910 N/A GLY 94.A N PRO 224.A O no hydrogen 3.208 N/A TRP 96.A N CYS 226.A O no hydrogen 2.825 N/A LEU 97.A N ASP 131.A O no hydrogen 2.810 N/A VAL 98.A N HIS 228.A O no hydrogen 2.800 N/A GLY 99.A N GLU 134.A O no hydrogen 2.841 N/A LYS 100.A N SER 230.A O no hydrogen 3.040 N/A LYS 100.A NZ ASP 12.A OD2 no hydrogen 2.790 N/A LYS 100.A NZ HIS 102.A ND1 no hydrogen 3.457 N/A THR 101.A N ASP 137.A OD1 no hydrogen 3.037 N/A HIS 102.A N ASP 137.A OD1 no hydrogen 3.190 N/A HIS 102.A NE2 TYR 148.A OH no hydrogen 3.119 N/A MET 103.A N THR 101.A OG1 no hydrogen 3.247 N/A ARG 104.A NH1 MET 103.A O no hydrogen 3.151 N/A GLY 109.A N ASP 106.A OD1 no hydrogen 2.936 N/A MET 110.A N ASP 106.A O no hydrogen 2.968 N/A ALA 111.A N GLU 107.A O no hydrogen 3.014 N/A ARG 112.A N GLU 108.A O no hydrogen 2.957 N/A LEU 113.A N GLY 109.A O no hydrogen 3.116 N/A LEU 113.A N MET 110.A O no hydrogen 3.212 N/A GLY 114.A N ALA 111.A O no hydrogen 3.206 N/A LEU 115.A N MET 110.A O no hydrogen 2.743 N/A SER 119.A N GLU 116.A O no hydrogen 3.127 N/A SER 119.A OG GLU 116.A O no hydrogen 2.820 N/A GLY 122.A N SER 119.A OG no hydrogen 3.009 N/A ALA 123.A N SER 119.A O no hydrogen 2.837 N/A ARG 124.A N LEU 120.A O no hydrogen 3.182 N/A ARG 124.A NE ASP 131.A OD1 no hydrogen 2.862 N/A ARG 124.A NH2 ASP 131.A OD2 no hydrogen 2.933 N/A VAL 125.A N ILE 121.A O no hydrogen 2.988 N/A ALA 126.A N GLY 122.A O no hydrogen 2.966 N/A GLU 127.A N ARG 124.A O no hydrogen 3.045 N/A GLY 129.A N ARG 124.A O no hydrogen 2.728 N/A PHE 130.A N GLU 127.A O no hydrogen 3.247 N/A ASP 131.A N CYS 95.A O no hydrogen 2.940 N/A PHE 133.A N LEU 97.A O no hydrogen 3.065 N/A GLU 134.A N LEU 97.A O no hydrogen 3.148 N/A ARG 135.A NE ASP 137.A OD1 no hydrogen 3.035 N/A ARG 135.A NH1 GLU 127.A OE1 no hydrogen 2.769 N/A ARG 135.A NH2 MET 103.A O no hydrogen 2.843 N/A ARG 135.A NH2 ASP 137.A OD2 no hydrogen 2.995 N/A ASP 136.A N GLY 99.A O no hydrogen 2.942 N/A GLY 138.A N ASP 136.A OD1 no hydrogen 2.782 N/A GLY 143.A N GLY 146.A O no hydrogen 2.889 N/A GLY 146.A N GLY 143.A O no hydrogen 2.952 N/A TYR 148.A OH HIS 102.A NE2 no hydrogen 3.119 N/A ASP 151.A N ASP 149.A OD1 no hydrogen 3.111 N/A GLY 152.A N ASP 149.A O no hydrogen 3.043 N/A ALA 153.A N ASP 136.A OD1 no hydrogen 2.954 N/A TYR 156.A OH ASP 204.A O no hydrogen 2.729 N/A ASN 157.A N ALA 153.A O no hydrogen 2.810 N/A LYS 158.A N LYS 154.A O no hydrogen 3.440 N/A LYS 158.A NZ GLU 155.A OE1 no hydrogen 3.391 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 3.206 N/A PHE 159.A N GLU 155.A O no hydrogen 2.923 N/A LEU 160.A N TYR 156.A O no hydrogen 2.938 N/A ARG 161.A N ASN 157.A O no hydrogen 2.897 N/A ARG 161.A NH2 SER 167.A O no hydrogen 2.760 N/A ALA 162.A N LYS 158.A O no hydrogen 2.927 N/A LYS 163.A N PHE 159.A O no hydrogen 3.301 N/A LYS 163.A N LEU 160.A O no hydrogen 3.093 N/A LYS 163.A NZ ASP 204.A OD1 no hydrogen 2.801 N/A GLY 164.A N LEU 160.A O no hydrogen 3.271 N/A GLY 164.A N ARG 161.A O no hydrogen 3.057 N/A TYR 165.A N LEU 160.A O no hydrogen 3.132 N/A TYR 165.A OH ASP 204.A OD2 no hydrogen 2.858 N/A SER 167.A OG ASP 173.A OD2 no hydrogen 2.506 N/A ASN 169.A N SER 167.A OG no hydrogen 2.880 N/A ASN 169.A ND2 LEU 140.A O no hydrogen 3.174 N/A TRP 171.A N ASN 157.A OD1 no hydrogen 2.982 N/A TRP 171.A NE1 GLU 206.A OE1 no hydrogen 2.883 N/A HIS 172.A N ASN 169.A OD1 no hydrogen 3.043 N/A HIS 172.A ND1 ASP 173.A OD1 no hydrogen 2.903 N/A HIS 172.A NE2 SER 187.A OG no hydrogen 2.723 N/A ASP 173.A N ASN 169.A O no hydrogen 2.937 N/A PHE 174.A N PRO 170.A O no hydrogen 2.941 N/A ALA 175.A N PRO 170.A O no hydrogen 3.498 N/A ASN 176.A N HIS 172.A O no hydrogen 3.311 N/A ASN 176.A ND2 TRP 171.A O no hydrogen 3.111 N/A ASN 176.A ND2 GLU 206.A OE2 no hydrogen 3.046 N/A SER 177.A OG HIS 172.A O no hydrogen 2.716 N/A GLY 178.A N GLN 186.A O no hydrogen 2.820 N/A ASP 180.A N ASN 184.A O no hydrogen 3.121 N/A GLU 182.A N ASP 180.A OD1 no hydrogen 2.891 N/A GLY 183.A N ASP 180.A O no hydrogen 3.400 N/A ASN 184.A N ASP 180.A OD1 no hydrogen 2.708 N/A ASN 184.A ND2 ASP 180.A OD2 no hydrogen 2.896 N/A GLN 186.A N GLY 178.A O no hydrogen 2.840 N/A SER 187.A OG HIS 172.A NE2 no hydrogen 2.723 N/A GLY 188.A N ASN 176.A O no hydrogen 2.803 N/A TRP 189.A N SER 187.A OG no hydrogen 3.074 N/A PHE 190.A N SER 187.A O no hydrogen 3.153 N/A ASN 193.A N PHE 190.A O no hydrogen 2.892 N/A ASN 193.A ND2 SER 187.A O no hydrogen 2.965 N/A ALA 194.A N LEU 191.A O no hydrogen 2.995 N/A THR 195.A OG1 LYS 192.A O no hydrogen 3.208 N/A ARG 196.A N ASN 193.A O no hydrogen 3.089 N/A ARG 196.A NE GLN 186.A OE1 no hydrogen 2.869 N/A ARG 196.A NH2 LEU 179.A O no hydrogen 2.863 N/A ARG 196.A NH2 GLN 186.A OE1 no hydrogen 3.555 N/A ALA 198.A N VAL 240.A O no hydrogen 2.996 N/A ASN 199.A N SER 177.A O no hydrogen 2.839 N/A ILE 200.A N ALA 198.A O no hydrogen 2.846 N/A ALA 201.A N TYR 165.A OH no hydrogen 3.097 N/A ASP 204.A N ALA 201.A O no hydrogen 2.949 N/A SER 205.A N GLU 202.A O no hydrogen 3.208 N/A SER 205.A OG GLU 202.A O no hydrogen 2.754 N/A TYR 209.A N SER 205.A O no hydrogen 3.074 N/A TYR 209.A OH GLU 134.A OE2 no hydrogen 2.570 N/A LEU 210.A N GLU 206.A O no hydrogen 3.005 N/A THR 211.A N THR 207.A O no hydrogen 3.090 N/A THR 211.A OG1 THR 207.A O no hydrogen 2.741 N/A THR 211.A OG1 TYR 231.A OH no hydrogen 2.644 N/A THR 211.A OG1 GLN 305.A OE1 no hydrogen 3.561 N/A SER 212.A N PRO 208.A O no hydrogen 2.947 N/A SER 212.A OG PRO 208.A O no hydrogen 3.242 N/A ARG 213.A N TYR 209.A O no hydrogen 3.077 N/A ARG 213.A NE GLU 134.A OE1 no hydrogen 2.567 N/A ARG 213.A NH1 GLU 216.A OE1 no hydrogen 2.362 N/A ARG 213.A NH2 GLU 134.A OE1 no hydrogen 2.972 N/A ALA 214.A N LEU 210.A O no hydrogen 2.967 N/A MET 215.A N THR 211.A O no hydrogen 3.258 N/A GLU 216.A N SER 212.A O no hydrogen 3.011 N/A PHE 217.A N ARG 213.A O no hydrogen 2.827 N/A ILE 218.A N ALA 214.A O no hydrogen 3.007 N/A GLU 219.A N MET 215.A O no hydrogen 3.043 N/A GLN 220.A N PHE 217.A O no hydrogen 3.024 N/A GLN 221.A N ILE 218.A O no hydrogen 3.117 N/A GLN 221.A NE2 PHE 217.A O no hydrogen 3.024 N/A TRP 225.A N ASN 5.A OD1 no hydrogen 3.349 N/A CYS 226.A N GLY 94.A O no hydrogen 2.863 N/A CYS 226.A SG ILE 6.A O no hydrogen 3.918 N/A CYS 227.A N ILE 6.A O no hydrogen 2.832 N/A HIS 228.A N TRP 96.A O no hydrogen 2.795 N/A HIS 228.A ND1 PHE 8.A O no hydrogen 3.081 N/A HIS 228.A NE2 TYR 60.A OH no hydrogen 2.661 N/A LEU 229.A N PHE 8.A O no hydrogen 2.978 N/A SER 230.A N VAL 98.A O no hydrogen 2.872 N/A SER 230.A OG LYS 100.A O no hydrogen 2.760 N/A TYR 231.A N MET 10.A O no hydrogen 2.901 N/A TYR 231.A OH THR 211.A OG1 no hydrogen 2.644 N/A LYS 233.A NZ ASN 176.A OD1 no hydrogen 2.881 N/A LYS 233.A NZ PRO 237.A O no hydrogen 2.984 N/A HIS 235.A N ILE 232.A O no hydrogen 3.017 N/A HIS 235.A ND1 TRP 236.A O no hydrogen 2.744 N/A TRP 236.A NE1 GLU 341.A OE1 no hydrogen 2.768 N/A TYR 238.A OH ASP 332.A OD2 no hydrogen 2.640 N/A TYR 244.A OH ASP 304.A OD2 no hydrogen 2.580 N/A ALA 245.A N PRO 241.A O no hydrogen 3.085 N/A SER 246.A N GLU 242.A OE1 no hydrogen 3.249 N/A SER 246.A N PRO 243.A O no hydrogen 3.366 N/A SER 246.A OG GLU 242.A OE1 no hydrogen 3.210 N/A SER 246.A OG GLU 242.A OE2 no hydrogen 2.653 N/A MET 247.A N TYR 244.A O no hydrogen 3.241 N/A GLY 249.A N HIS 252.A ND1 no hydrogen 2.936 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.628 N/A HIS 252.A N GLY 249.A O no hydrogen 2.889 N/A VAL 253.A N PRO 250.A O no hydrogen 3.208 N/A GLN 254.A NE2 ASP 17.A OD2 no hydrogen 3.066 N/A VAL 257.A N ASP 336.A OD1 no hydrogen 2.897 N/A ARG 258.A NH1 SER 283.A O no hydrogen 3.122 N/A SER 259.A N GLU 262.A OE1 no hydrogen 3.090 N/A GLU 262.A N SER 259.A OG no hydrogen 2.971 N/A ARG 263.A N SER 259.A O no hydrogen 3.310 N/A GLN 264.A N ASP 260.A O no hydrogen 2.857 N/A ASN 265.A N SER 261.A O no hydrogen 2.913 N/A ALA 266.A N ARG 263.A O no hydrogen 3.282 N/A HIS 267.A NE2 ARG 460.A O no hydrogen 2.761 N/A LEU 269.A N HIS 267.A ND1 no hydrogen 3.155 N/A LYS 271.A N HIS 267.A O no hydrogen 2.736 N/A ALA 272.A N PRO 268.A O no hydrogen 3.028 N/A PHE 273.A N LEU 269.A O no hydrogen 3.383 N/A PHE 273.A N PHE 270.A O no hydrogen 2.968 N/A MET 274.A N PHE 270.A O no hydrogen 3.215 N/A ASP 275.A N LYS 271.A O no hydrogen 2.869 N/A THR 276.A OG1 PHE 273.A O no hydrogen 3.081 N/A GLY 279.A N THR 276.A OG1 no hydrogen 3.156 N/A GLU 280.A N THR 276.A O no hydrogen 2.984 N/A ALA 281.A N LYS 277.A O no hydrogen 2.825 N/A PHE 282.A N VAL 278.A O no hydrogen 2.991 N/A SER 283.A N GLY 279.A O no hydrogen 3.083 N/A SER 283.A N GLU 280.A O no hydrogen 3.297 N/A SER 283.A OG GLY 279.A O no hydrogen 2.916 N/A ARG 284.A N ALA 281.A O no hydrogen 2.988 N/A ARG 284.A NH1 GLU 286.A OE2 no hydrogen 2.780 N/A GLN 285.A NE2 ASP 289.A OD1 no hydrogen 3.003 N/A VAL 287.A N ARG 284.A O no hydrogen 3.098 N/A ARG 288.A N ARG 284.A O no hydrogen 3.195 N/A ARG 288.A NH1 PHE 282.A O no hydrogen 2.923 N/A ASP 289.A N GLN 285.A O no hydrogen 2.796 N/A ALA 290.A N GLU 286.A O no hydrogen 3.218 N/A ALA 290.A N VAL 287.A O no hydrogen 3.179 N/A VAL 291.A N VAL 287.A O no hydrogen 2.906 N/A ILE 292.A N ARG 288.A O no hydrogen 2.925 N/A TYR 295.A N VAL 291.A O no hydrogen 2.946 N/A TYR 295.A OH GLN 13.A O no hydrogen 2.584 N/A MET 296.A N.A ILE 292.A O no hydrogen 2.906 N/A MET 296.A N.B ILE 292.A O no hydrogen 2.896 N/A GLY 297.A N PRO 293.A O no hydrogen 2.944 N/A LEU 298.A N ALA 294.A O no hydrogen 2.853 N/A ILE 299.A N TYR 295.A O no hydrogen 3.189 N/A LYS 300.A N MET 296.A O.A no hydrogen 2.908 N/A LYS 300.A N MET 296.A O.B no hydrogen 2.972 N/A LYS 300.A NZ ASN 28.A O no hydrogen 2.785 N/A GLN 301.A N GLY 297.A O no hydrogen 2.999 N/A GLN 301.A NE2 GLU 202.A OE2 no hydrogen 2.946 N/A GLN 301.A NE2 SER 205.A OG no hydrogen 2.958 N/A ALA 302.A N LEU 298.A O no hydrogen 3.027 N/A ASP 303.A N ILE 299.A O no hydrogen 2.853 N/A ASP 304.A N LYS 300.A O no hydrogen 2.994 N/A GLN 305.A N GLN 301.A O no hydrogen 2.964 N/A MET 306.A N ALA 302.A O no hydrogen 2.825 N/A GLY 307.A N ASP 303.A O no hydrogen 2.939 N/A ARG 308.A N ASP 304.A O no hydrogen 3.053 N/A ARG 308.A NH1 PRO 208.A O no hydrogen 3.371 N/A ARG 308.A NH1 SER 212.A OG no hydrogen 3.183 N/A ARG 308.A NH1 GLN 305.A OE1 no hydrogen 2.880 N/A ARG 308.A NH2 SER 212.A OG no hydrogen 2.860 N/A LEU 309.A N GLN 305.A O no hydrogen 2.909 N/A PHE 310.A N MET 306.A O no hydrogen 2.749 N/A LYS 311.A N GLY 307.A O no hydrogen 2.961 N/A LYS 311.A NZ ASP 315.A OD2 no hydrogen 2.984 N/A TRP 312.A N ARG 308.A O no hydrogen 3.077 N/A LEU 313.A N LEU 309.A O no hydrogen 2.940 N/A GLU 314.A N PHE 310.A O no hydrogen 2.981 N/A ASP 315.A N LYS 311.A O no hydrogen 2.880 N/A THR 316.A N TRP 312.A O no hydrogen 3.044 N/A THR 316.A OG1 TRP 312.A O no hydrogen 2.986 N/A THR 316.A OG1 LEU 313.A O no hydrogen 3.528 N/A GLY 317.A N GLU 314.A O no hydrogen 3.095 N/A ARG 318.A N LEU 313.A O no hydrogen 2.782 N/A ARG 318.A NH1 THR 316.A OG1 no hydrogen 2.837 N/A MET 319.A N LEU 313.A O no hydrogen 3.256 N/A ASP 321.A N ARG 318.A O no hydrogen 2.910 N/A THR 322.A OG1 ARG 318.A O no hydrogen 2.714 N/A MET 323.A N ASN 5.A O no hydrogen 2.962 N/A ILE 324.A N TYR 357.A O no hydrogen 2.964 N/A VAL 325.A N LEU 7.A O no hydrogen 2.885 N/A LEU 326.A N ILE 355.A O no hydrogen 2.924 N/A THR 327.A N ILE 9.A O no hydrogen 2.979 N/A THR 327.A OG1 PRO 353.A O no hydrogen 2.872 N/A SER 328.A N THR 327.A OG1 no hydrogen 2.722 N/A SER 328.A OG PHE 11.A O no hydrogen 3.359 N/A SER 328.A OG LEU 14.A O no hydrogen 2.817 N/A SER 328.A OG HIS 330.A O no hydrogen 2.860 N/A HIS 330.A N SER 328.A OG no hydrogen 3.328 N/A HIS 330.A ND1 GLY 331.A O no hydrogen 2.837 N/A GLY 331.A N SER 349.A O no hydrogen 2.821 N/A PHE 333.A N GLU 341.A O no hydrogen 2.743 N/A LEU 334.A N ASP 332.A OD1 no hydrogen 2.938 N/A GLY 335.A N MET 339.A O no hydrogen 2.874 N/A ASP 336.A N PHE 333.A O no hydrogen 2.795 N/A HIS 337.A N VAL 257.A O no hydrogen 2.778 N/A HIS 337.A ND1 GLU 262.A OE2 no hydrogen 2.657 N/A TRP 338.A N GLY 335.A O no hydrogen 3.197 N/A TRP 338.A NE1 SER 259.A O no hydrogen 2.883 N/A MET 339.A N ASP 336.A O no hydrogen 3.126 N/A LYS 342.A NZ GLN 13.A OE1 no hydrogen 2.883 N/A LYS 342.A NZ GLU 341.A OE2 no hydrogen 2.775 N/A PHE 344.A N LYS 342.A O no hydrogen 2.930 N/A ASP 347.A N GLU 472.A OE1 no hydrogen 2.759 N/A SER 349.A N HIS 346.A O no hydrogen 2.922 N/A SER 349.A OG LYS 342.A O no hydrogen 2.621 N/A THR 350.A N HIS 346.A O no hydrogen 3.034 N/A THR 350.A OG1 PHE 345.A O no hydrogen 2.923 N/A THR 350.A OG1 HIS 346.A O no hydrogen 3.228 N/A ARG 351.A N ASP 347.A O no hydrogen 3.047 N/A VAL 352.A N ALA 45.A O no hydrogen 2.841 N/A LEU 354.A N TYR 22.A OH no hydrogen 2.970 N/A ILE 355.A N LEU 326.A O no hydrogen 2.949 N/A ILE 356.A N VAL 40.A O no hydrogen 2.939 N/A TYR 357.A N ILE 324.A O no hydrogen 2.812 N/A TYR 357.A OH MET 319.A O no hydrogen 3.365 N/A ARG 360.A N ASP 358.A OD1 no hydrogen 3.090 N/A ARG 360.A NE ASP 358.A OD1 no hydrogen 2.980 N/A ARG 360.A NE ASP 358.A OD2 no hydrogen 3.368 N/A ARG 360.A NH1 THR 1.A O no hydrogen 2.962 N/A ARG 360.A NH2 ASP 358.A OD2 no hydrogen 2.846 N/A ALA 363.A N ARG 360.A O no hydrogen 3.088 N/A ASP 364.A N PRO 361.A O no hydrogen 2.968 N/A THR 366.A N ALA 363.A O no hydrogen 3.336 N/A THR 366.A OG1 ALA 363.A O no hydrogen 3.337 N/A THR 366.A OG1 LEU 406.A O no hydrogen 2.724 N/A ARG 367.A N ASP 364.A O no hydrogen 3.398 N/A ARG 367.A NE ASP 364.A OD1 no hydrogen 3.038 N/A ARG 367.A NH1 LYS 38.A O no hydrogen 2.914 N/A ARG 367.A NH1 ASP 358.A O no hydrogen 2.738 N/A ARG 367.A NH2 ASP 358.A O no hydrogen 2.692 N/A ARG 367.A NH2 ASP 364.A OD1 no hydrogen 3.045 N/A GLY 368.A N GLY 39.A O no hydrogen 2.751 N/A SER 369.A N THR 366.A O no hydrogen 3.088 N/A SER 369.A OG THR 366.A O no hydrogen 2.664 N/A CYS 371.A N ARG 41.A O no hydrogen 2.843 N/A CYS 371.A SG ASP 411.A O no hydrogen 3.572 N/A VAL 375.A N ARG 44.A O no hydrogen 2.962 N/A GLU 376.A N ASP 379.A OD2 no hydrogen 3.005 N/A SER 377.A N TYR 46.A O no hydrogen 2.911 N/A SER 377.A OG THR 59.A OG1 no hydrogen 2.691 N/A ILE 378.A N GLN 48.A OE1 no hydrogen 3.090 N/A ASP 379.A N GLU 376.A O no hydrogen 2.849 N/A LEU 380.A N SER 377.A O no hydrogen 3.257 N/A THR 383.A N ASP 379.A O no hydrogen 3.220 N/A THR 383.A OG1 ASP 379.A O no hydrogen 2.653 N/A PHE 384.A N LEU 380.A O no hydrogen 2.818 N/A VAL 385.A N ALA 381.A O no hydrogen 3.033 N/A GLU 386.A N PRO 382.A O no hydrogen 3.028 N/A ALA 387.A N THR 383.A O no hydrogen 2.854 N/A ALA 388.A N PHE 384.A O no hydrogen 2.824 N/A GLY 389.A N GLU 386.A O no hydrogen 2.921 N/A GLY 390.A N VAL 385.A O no hydrogen 2.898 N/A LYS 391.A NZ GLU 509.A OE1 no hydrogen 3.306 N/A ILE 396.A N ALA 393.A O no hydrogen 3.051 N/A LEU 397.A N ALA 393.A O no hydrogen 2.863 N/A GLU 398.A N GLY 62.A O no hydrogen 3.025 N/A GLU 400.A N ASP 379.A OD1 no hydrogen 2.821 N/A SER 401.A OG GLU 386.A OE1 no hydrogen 2.632 N/A LEU 402.A N THR 383.A OG1 no hydrogen 2.866 N/A ILE 403.A N SER 401.A OG no hydrogen 3.227 N/A ILE 405.A N LEU 402.A O no hydrogen 3.043 N/A LEU 406.A N LEU 402.A O no hydrogen 3.070 N/A HIS 407.A N ILE 403.A O no hydrogen 2.898 N/A HIS 407.A NE2 ASP 358.A OD2 no hydrogen 2.906 N/A GLY 408.A N ILE 405.A O no hydrogen 3.152 N/A ALA 409.A N PRO 404.A O no hydrogen 2.817 N/A ARG 410.A N PRO 404.A O no hydrogen 3.482 N/A ARG 410.A NH1 HIS 412.A O no hydrogen 2.965 N/A HIS 412.A ND1 ASP 411.A OD1 no hydrogen 3.191 N/A THR 413.A OG1 LEU 374.A O no hydrogen 2.659 N/A LEU 414.A N GLU 400.A OE1 no hydrogen 2.804 N/A ARG 415.A N GLU 400.A OE2 no hydrogen 3.149 N/A ARG 415.A NH1 LEU 374.A O no hydrogen 3.113 N/A ARG 415.A NH1 ASP 379.A OD2 no hydrogen 2.842 N/A ARG 415.A NH2 ASP 379.A OD1 no hydrogen 2.842 N/A ARG 415.A NH2 ASP 379.A OD2 no hydrogen 3.566 N/A HIS 417.A ND1 ASP 416.A OD1 no hydrogen 3.177 N/A VAL 418.A N ALA 446.A O no hydrogen 2.815 N/A ILE 419.A N GLU 376.A OE2 no hydrogen 2.875 N/A CYS 420.A N MET 444.A O no hydrogen 2.980 N/A CYS 420.A SG ILE 47.A O no hydrogen 3.407 N/A GLU 421.A N GLN 48.A O no hydrogen 2.915 N/A TYR 422.A N MET 442.A O no hydrogen 2.882 N/A PHE 424.A N ALA 440.A O no hydrogen 2.849 N/A SER 425.A N ASP 423.A OD1 no hydrogen 2.997 N/A SER 425.A OG ASP 423.A OD1 no hydrogen 2.678 N/A SER 425.A OG ASP 423.A OD2 no hydrogen 3.549 N/A SER 427.A N PHE 424.A O no hydrogen 3.082 N/A SER 427.A OG PHE 424.A O no hydrogen 2.783 N/A ALA 430.A N SER 427.A O no hydrogen 2.949 N/A HIS 431.A N SER 427.A O no hydrogen 3.458 N/A LEU 432.A N PRO 428.A O no hydrogen 2.823 N/A ASN 433.A N ILE 429.A O no hydrogen 3.069 N/A ASN 433.A ND2 ILE 429.A O no hydrogen 2.958 N/A ASP 434.A N HIS 431.A O no hydrogen 3.474 N/A ILE 435.A N ALA 430.A O no hydrogen 3.029 N/A GLN 439.A N SER 436.A O no hydrogen 3.135 N/A GLN 439.A N SER 436.A OG no hydrogen 3.134 N/A ALA 440.A N VAL 437.A O no hydrogen 3.362 N/A MET 442.A N TYR 422.A O no hydrogen 2.834 N/A PHE 443.A N HIS 454.A O no hydrogen 2.935 N/A MET 444.A N CYS 420.A O no hydrogen 2.728 N/A VAL 445.A N LEU 452.A O no hydrogen 3.010 N/A ALA 446.A N VAL 418.A O no hydrogen 3.153 N/A ASP 447.A N TRP 450.A O no hydrogen 2.951 N/A LYS 448.A NZ ASP 372.A O no hydrogen 3.468 N/A ASN 449.A N ASP 447.A OD1 no hydrogen 2.716 N/A TRP 450.A N ASP 447.A OD1 no hydrogen 2.815 N/A LYS 451.A N PHE 464.A O no hydrogen 3.040 N/A LYS 451.A NZ PHE 345.A O no hydrogen 2.674 N/A LYS 451.A NZ ASP 347.A OD1 no hydrogen 2.911 N/A LYS 451.A NZ GLU 472.A OE1 no hydrogen 3.539 N/A LYS 451.A NZ GLU 472.A OE2 no hydrogen 2.686 N/A LEU 452.A N VAL 445.A O no hydrogen 2.777 N/A ILE 453.A N MET 462.A O no hydrogen 2.840 N/A HIS 454.A N PHE 443.A O no hydrogen 2.850 N/A HIS 454.A ND1 TYR 490.A OH no hydrogen 2.644 N/A HIS 454.A NE2 GLU 456.A OE1 no hydrogen 3.146 N/A GLU 456.A N VAL 441.A O no hydrogen 3.185 N/A ARG 460.A N ASP 458.A OD1 no hydrogen 2.873 N/A MET 462.A N ILE 453.A O no hydrogen 2.996 N/A LEU 463.A N ASP 475.A OD1 no hydrogen 3.147 N/A PHE 464.A N LYS 451.A O no hydrogen 2.931 N/A LEU 466.A N ASN 449.A O no hydrogen 2.828 N/A LYS 467.A NZ ASN 449.A OD1 no hydrogen 3.383 N/A ASN 468.A N ASP 465.A OD1 no hydrogen 2.984 N/A ASN 468.A ND2 ASP 465.A OD2 no hydrogen 2.750 N/A ASP 469.A N ASP 465.A O no hydrogen 2.728 N/A GLU 472.A N ASP 469.A O no hydrogen 2.758 N/A LEU 473.A N ASP 469.A OD1 no hydrogen 3.065 N/A LEU 473.A N ASP 469.A OD2 no hydrogen 3.068 N/A VAL 474.A N ASP 469.A OD2 no hydrogen 2.912 N/A LEU 476.A N LEU 463.A O no hydrogen 2.784 N/A GLY 477.A N ASP 475.A OD1 no hydrogen 2.832 N/A ASP 479.A N LEU 476.A O no hydrogen 3.189 N/A ALA 481.A N ASP 479.A OD1 no hydrogen 3.373 N/A HIS 482.A N ASP 479.A O no hydrogen 3.008 N/A HIS 482.A ND1 ASP 479.A OD2 no hydrogen 2.681 N/A ALA 483.A N PRO 480.A O no hydrogen 3.265 N/A ILE 486.A N HIS 482.A O no hydrogen 2.953 N/A ALA 487.A N ALA 483.A O no hydrogen 2.952 N/A GLY 488.A N ASP 484.A O no hydrogen 2.947 N/A MET 489.A N VAL 485.A O no hydrogen 2.943 N/A TYR 490.A N ILE 486.A O no hydrogen 2.938 N/A TYR 490.A OH HIS 454.A ND1 no hydrogen 2.644 N/A ASP 491.A N ALA 487.A O no hydrogen 2.936 N/A LYS 492.A N GLY 488.A O no hydrogen 3.298 N/A LYS 492.A NZ ASP 416.A O no hydrogen 3.134 N/A LYS 492.A NZ ASP 416.A OD2 no hydrogen 3.053 N/A LYS 492.A NZ ASP 447.A OD2 no hydrogen 2.907 N/A LEU 493.A N MET 489.A O no hydrogen 2.976 N/A PHE 494.A N TYR 490.A O no hydrogen 2.838 N/A ARG 495.A N ASP 491.A O no hydrogen 2.971 N/A TRP 496.A N LYS 492.A O no hydrogen 3.187 N/A THR 497.A N LEU 493.A O no hydrogen 2.958 N/A THR 497.A OG1 PHE 494.A O no hydrogen 2.802 N/A ARG 498.A N PHE 494.A O no hydrogen 3.163 N/A ARG 498.A N ARG 495.A O no hydrogen 3.342 N/A ARG 499.A N TRP 496.A O no hydrogen 3.185 N/A ARG 499.A NE GLU 398.A OE2 no hydrogen 2.827 N/A ARG 499.A NH1 HIS 66.A ND1 no hydrogen 3.252 N/A ARG 499.A NH1 TRP 496.A O no hydrogen 2.994 N/A ARG 499.A NH2 HIS 66.A ND1 no hydrogen 3.218 N/A ARG 499.A NH2 SER 67.A OG no hydrogen 2.764 N/A SER 501.A OG SER 67.A OG no hydrogen 3.206 N/A GLN 502.A NE2 SER 67.A O no hydrogen 2.996 N/A ARG 506.A NH1 THR 505.A O no hydrogen 2.944 N/A SER 507.A N GLN 510.A OE1 no hydrogen 2.933 N/A GLN 510.A N SER 507.A OG no hydrogen 3.162 N/A LEU 511.A N SER 507.A O no hydrogen 2.949 N/A ILE 512.A N GLU 508.A O no hydrogen 3.031 N/A ALA 513.A N GLU 509.A O no hydrogen 3.052 N/A MET 514.A N GLN 510.A O no hydrogen 2.998 N/A ARG 515.A N ILE 512.A O no hydrogen 3.112 N/A LYS 517.A N MET 514.A O no hydrogen 3.377 N/A ARG 521.A N SER 518.A O no hydrogen 3.088 N/A ARG 521.A NH1 LYS 517.A O no hydrogen 3.227 N/A ILE 523.A N SER 518.A O no hydrogen 3.415 N/A TYR 528.A N GLU 532.A OE1 no hydrogen 3.113 N/A ASN 531.A N ASP 529.A OD1 no hydrogen 3.203 N/A ASN 531.A ND2 ASP 529.A OD1 no hydrogen 3.519 N/A GLU 532.A N ASP 529.A O no hydrogen 3.036 N/A LEU 537.A N PRO 534.A O no hydrogen 3.171 N/A THR 538.A N LEU 535.A O no hydrogen 3.076 N/A THR 538.A OG1 LEU 535.A O no hydrogen 3.225 N/A VAL 539.A N GLU 536.A O no hydrogen 3.433 N/A TYR 541.A N THR 538.A O no hydrogen 2.856 N/A TYR 541.A OH GLY 522.A O no hydrogen 2.674 N/A ARG 547.A N TYR 552.A OH no hydrogen 2.875 N/A ASP 551.A N PRO 548.A O no hydrogen 3.022 N/A TYR 552.A N TYR 549.A O no hydrogen 2.996 N/A LEU 553.A N LYS 550.A O no hydrogen 3.134 N/A