Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pyl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 53.A OD1 no hydrogen 3.084 N/A ARG 2.A NH1 HIS 112.A O no hydrogen 3.379 N/A ARG 2.A NH2 ALA 52.A O no hydrogen 2.929 N/A ARG 2.A NH2 ASP 53.A OD1 no hydrogen 3.535 N/A ARG 2.A NH2 HIS 112.A O no hydrogen 2.922 N/A LYS 3.A NZ GLU 33.A OE1 no hydrogen 3.050 N/A TYR 5.A N ASP 53.A O no hydrogen 2.860 N/A TYR 5.A OH GLU 33.A OE2 no hydrogen 2.570 N/A SER 6.A N MET 26.A O no hydrogen 2.852 N/A SER 6.A OG ILE 166.A O no hydrogen 2.813 N/A CYS 7.A N TYR 55.A O no hydrogen 2.786 N/A ALA 8.A N GLY 24.A O no hydrogen 3.063 N/A GLU 10.A N ALA 22.A O no hydrogen 2.856 N/A THR 12.A N ARG 19.A O no hydrogen 2.828 N/A THR 12.A OG1 ASP 17.A O no hydrogen 2.592 N/A THR 12.A OG1 ARG 19.A O no hydrogen 3.425 N/A LYS 14.A NZ GLU 147.A OE1 no hydrogen 3.398 N/A LYS 14.A NZ GLU 147.A OE2 no hydrogen 3.535 N/A CYS 18.A SG VAL 561.A O no hydrogen 3.860 N/A ARG 19.A N THR 12.A OG1 no hydrogen 2.918 N/A ARG 19.A NE ASP 17.A OD1 no hydrogen 2.967 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 3.126 N/A ARG 19.A NH1 ARG 148.A O no hydrogen 3.099 N/A ARG 19.A NH2 ASP 17.A OD2 no hydrogen 2.964 N/A ARG 19.A NH2 ARG 148.A O no hydrogen 2.707 N/A TRP 21.A N GLU 10.A O no hydrogen 2.877 N/A ALA 22.A N GLU 10.A O no hydrogen 3.276 N/A TYR 23.A N GLY 37.A O no hydrogen 2.981 N/A TYR 23.A OH GLU 42.A OE2 no hydrogen 2.741 N/A GLY 24.A N ALA 8.A O no hydrogen 2.958 N/A TYR 25.A N LYS 35.A O no hydrogen 3.127 N/A MET 26.A N SER 6.A O no hydrogen 2.870 N/A ASN 27.A N GLU 33.A O no hydrogen 2.777 N/A ILE 28.A N MET 4.A O no hydrogen 2.787 N/A ASP 30.A N ASN 27.A O no hydrogen 3.228 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.832 N/A GLU 33.A N ASP 30.A O no hydrogen 2.882 N/A TYR 34.A OH TYR 159.A OH no hydrogen 2.572 N/A LYS 35.A N TYR 25.A O no hydrogen 2.984 N/A LYS 35.A NZ ILE 36.A O no hydrogen 3.241 N/A GLY 37.A N TYR 23.A O no hydrogen 3.307 N/A ASN 38.A ND2 TYR 152.A O no hydrogen 3.024 N/A GLU 42.A N SER 39.A OG no hydrogen 3.360 N/A PHE 43.A N SER 39.A O no hydrogen 3.086 N/A MET 44.A N LEU 40.A O no hydrogen 2.800 N/A ALA 45.A N ASP 41.A O no hydrogen 3.045 N/A TRP 46.A N GLU 42.A O no hydrogen 3.294 N/A VAL 47.A N PHE 43.A O no hydrogen 2.862 N/A LEU 48.A N MET 44.A O no hydrogen 3.035 N/A LYS 49.A N TRP 46.A O no hydrogen 3.164 N/A VAL 50.A N TRP 46.A O no hydrogen 2.912 N/A ASP 53.A N LYS 3.A O no hydrogen 2.842 N/A LEU 54.A N VAL 114.A O no hydrogen 2.750 N/A TYR 55.A N TYR 5.A O no hydrogen 2.931 N/A PHE 56.A N TYR 116.A O no hydrogen 3.144 N/A HIS 57.A ND1 SER 118.A OG no hydrogen 2.855 N/A HIS 57.A NE2 PHE 124.A O no hydrogen 2.701 N/A ASN 58.A N ASP 117.A OD1 no hydrogen 3.006 N/A LEU 59.A N ASP 117.A OD1 no hydrogen 3.110 N/A LYS 60.A NZ GLY 94.A O no hydrogen 3.086 N/A PHE 61.A N ASN 58.A O no hydrogen 3.005 N/A GLY 63.A N LEU 59.A O no hydrogen 2.661 N/A PHE 65.A N ALA 62.A O no hydrogen 3.052 N/A ILE 66.A N ALA 62.A O no hydrogen 3.082 N/A ILE 67.A N GLY 63.A O no hydrogen 2.787 N/A ASN 68.A N ALA 64.A O no hydrogen 3.199 N/A ASN 68.A ND2 GLY 406.A O no hydrogen 3.176 N/A TRP 69.A N PHE 65.A O no hydrogen 3.235 N/A TRP 69.A NE1 ASP 41.A OD1 no hydrogen 2.865 N/A LEU 70.A N ILE 66.A O no hydrogen 3.002 N/A GLU 71.A N ILE 67.A O no hydrogen 2.909 N/A ARG 72.A N TRP 69.A O no hydrogen 3.100 N/A ARG 72.A NH1 ASN 68.A O no hydrogen 3.297 N/A ARG 72.A NH1 GLY 406.A O no hydrogen 3.557 N/A ARG 72.A NH2 GLY 406.A O no hydrogen 2.939 N/A ASN 73.A N LEU 70.A O no hydrogen 3.061 N/A ASN 73.A ND2 TRP 69.A O no hydrogen 2.761 N/A PHE 75.A N LEU 70.A O no hydrogen 3.045 N/A TRP 77.A NE1 THR 88.A OG1 no hydrogen 2.920 N/A SER 78.A N TYR 86.A O no hydrogen 2.926 N/A ASP 80.A N SER 78.A OG no hydrogen 3.133 N/A THR 85.A OG1 LEU 82.A O no hydrogen 2.658 N/A TYR 86.A N LYS 76.A O no hydrogen 3.050 N/A TYR 86.A OH GLU 71.A OE2 no hydrogen 2.600 N/A ASN 87.A N ASP 100.A O no hydrogen 2.769 N/A ILE 89.A N MET 98.A O no hydrogen 2.957 N/A SER 91.A N GLN 95.A O no hydrogen 2.802 N/A GLY 94.A N SER 91.A O no hydrogen 2.809 N/A GLN 95.A N SER 91.A OG no hydrogen 3.000 N/A TYR 97.A N ILE 89.A O no hydrogen 2.902 N/A ILE 99.A N ILE 115.A O no hydrogen 2.870 N/A ASP 100.A N ASN 87.A O no hydrogen 2.839 N/A ILE 101.A N THR 113.A O no hydrogen 2.811 N/A CYS 102.A N THR 85.A O no hydrogen 2.863 N/A CYS 102.A SG GLY 81.A O no hydrogen 3.702 N/A CYS 102.A SG LEU 82.A O no hydrogen 3.487 N/A CYS 102.A SG GLY 104.A O no hydrogen 3.957 N/A LEU 103.A N ILE 111.A O no hydrogen 2.734 N/A GLY 104.A N ILE 111.A O no hydrogen 3.402 N/A LYS 106.A N ARG 109.A O no hydrogen 2.942 N/A LYS 110.A NZ ASP 100.A OD1 no hydrogen 3.091 N/A ILE 111.A N GLY 104.A O no hydrogen 2.701 N/A HIS 112.A ND1 ASP 100.A OD2 no hydrogen 2.807 N/A THR 113.A N ILE 101.A O no hydrogen 2.987 N/A THR 113.A OG1 VAL 47.A O no hydrogen 2.509 N/A VAL 114.A N ALA 52.A O no hydrogen 3.110 N/A ILE 115.A N ILE 99.A O no hydrogen 2.758 N/A TYR 116.A N LEU 54.A O no hydrogen 2.631 N/A SER 118.A N PHE 56.A O no hydrogen 3.055 N/A SER 118.A OG HIS 57.A ND1 no hydrogen 2.855 N/A LEU 119.A N ASP 117.A OD1 no hydrogen 2.996 N/A LYS 120.A NZ TRP 96.A O no hydrogen 2.794 N/A LYS 120.A NZ ASP 117.A OD2 no hydrogen 2.640 N/A LYS 121.A N SER 118.A O no hydrogen 3.093 N/A LYS 121.A NZ ASP 189.A OD2 no hydrogen 2.217 N/A LEU 122.A N SER 118.A O no hydrogen 2.836 N/A PHE 124.A N LEU 122.A O no hydrogen 2.708 N/A LYS 127.A NZ LEU 138.A O no hydrogen 2.576 N/A LYS 127.A NZ GLY 140.A O no hydrogen 3.179 N/A ILE 129.A N PRO 125.A O no hydrogen 3.075 N/A ALA 130.A N VAL 126.A O no hydrogen 3.047 N/A LYS 131.A N LYS 127.A O no hydrogen 2.935 N/A ASP 132.A N LYS 128.A O no hydrogen 2.933 N/A PHE 133.A N ILE 129.A O no hydrogen 2.834 N/A LYS 134.A N LYS 131.A O no hydrogen 3.333 N/A LEU 135.A N ALA 130.A O no hydrogen 2.856 N/A LEU 138.A N ASN 164.A OD1 no hydrogen 2.833 N/A ILE 142.A N ASP 141.A OD1 no hydrogen 2.692 N/A LYS 146.A NZ TYR 152.A OH no hydrogen 2.833 N/A LYS 146.A NZ GLU 158.A OE2 no hydrogen 2.779 N/A ARG 148.A NH1 ASP 143.A O no hydrogen 3.030 N/A ARG 148.A NH2 ASP 143.A O no hydrogen 2.823 N/A ARG 148.A NH2 GLU 158.A OE2 no hydrogen 2.987 N/A TYR 152.A N PRO 149.A O no hydrogen 3.121 N/A TYR 152.A OH GLU 158.A OE1 no hydrogen 2.595 N/A TYR 152.A OH GLU 158.A OE2 no hydrogen 2.835 N/A THR 155.A N GLU 158.A OE1 no hydrogen 3.016 N/A GLU 158.A N THR 155.A OG1 no hydrogen 3.210 N/A TYR 159.A N THR 155.A O no hydrogen 2.999 N/A TYR 159.A OH TYR 34.A OH no hydrogen 2.572 N/A ALA 160.A N PRO 156.A O no hydrogen 3.125 N/A TYR 161.A N GLU 157.A O no hydrogen 3.051 N/A TYR 161.A OH LYS 139.A O no hydrogen 2.540 N/A ILE 162.A N GLU 158.A O no hydrogen 2.999 N/A LYS 163.A N TYR 159.A O no hydrogen 3.023 N/A ASN 164.A N ALA 160.A O no hydrogen 2.924 N/A ASN 164.A ND2 THR 136.A O no hydrogen 2.959 N/A ASP 165.A N TYR 161.A O no hydrogen 3.007 N/A ILE 166.A N ILE 162.A O no hydrogen 3.144 N/A GLN 167.A N LYS 163.A O no hydrogen 3.026 N/A ILE 168.A N ASN 164.A O no hydrogen 2.901 N/A ILE 169.A N ASP 165.A O no hydrogen 3.444 N/A ALA 170.A N ILE 166.A O no hydrogen 3.041 N/A GLU 171.A N GLN 167.A O no hydrogen 2.890 N/A ALA 172.A N ILE 168.A O no hydrogen 2.988 N/A LEU 173.A N ILE 169.A O no hydrogen 2.817 N/A LEU 174.A N ALA 170.A O no hydrogen 3.013 N/A ILE 175.A N GLU 171.A O no hydrogen 3.044 N/A GLN 176.A N ALA 172.A O no hydrogen 3.262 N/A PHE 177.A N LEU 173.A O no hydrogen 2.953 N/A LYS 178.A N LEU 174.A O no hydrogen 3.078 N/A GLN 179.A N GLN 176.A O no hydrogen 3.046 N/A GLN 179.A NE2 ILE 175.A O no hydrogen 2.961 N/A GLY 180.A N PHE 177.A O no hydrogen 3.032 N/A LEU 181.A N GLN 176.A O no hydrogen 3.202 N/A ARG 183.A N ASP 189.A OD1 no hydrogen 3.048 N/A ARG 183.A NH1 SER 188.A OG no hydrogen 3.230 N/A ALA 186.A N LYS 120.A O no hydrogen 3.111 N/A SER 188.A N THR 185.A OG1 no hydrogen 3.058 N/A ASP 189.A N THR 185.A O no hydrogen 3.238 N/A SER 190.A N ALA 186.A O no hydrogen 3.175 N/A SER 190.A OG MET 381.A O no hydrogen 2.642 N/A LEU 191.A N GLY 187.A O no hydrogen 3.090 N/A LYS 192.A N SER 188.A O no hydrogen 3.014 N/A LYS 192.A NZ GLY 180.A O no hydrogen 3.383 N/A GLY 193.A N ASP 189.A O no hydrogen 2.804 N/A PHE 194.A N SER 190.A O no hydrogen 2.938 N/A LYS 195.A N LEU 191.A O no hydrogen 3.008 N/A ASP 196.A N LYS 192.A O no hydrogen 3.069 N/A ILE 197.A N PHE 194.A O no hydrogen 3.158 N/A ILE 198.A N PHE 194.A O no hydrogen 3.193 N/A PHE 203.A N THR 199.A O no hydrogen 2.925 N/A LYS 204.A N THR 200.A O no hydrogen 3.217 N/A VAL 206.A N LYS 202.A O no hydrogen 3.049 N/A PHE 207.A N PHE 203.A O no hydrogen 2.710 N/A LEU 214.A N SER 211.A OG no hydrogen 2.965 N/A ASP 215.A N SER 211.A O no hydrogen 3.070 N/A LYS 216.A N LEU 212.A O no hydrogen 3.041 N/A GLU 217.A N GLY 213.A O no hydrogen 3.260 N/A GLU 217.A N LEU 214.A O no hydrogen 3.247 N/A VAL 218.A N LEU 214.A O no hydrogen 3.019 N/A ARG 219.A N ASP 215.A O no hydrogen 2.987 N/A ARG 219.A NH1 ALA 390.A O no hydrogen 3.201 N/A ARG 219.A NH2 ASP 215.A OD1 no hydrogen 3.438 N/A ARG 219.A NH2 ALA 390.A O no hydrogen 3.505 N/A TYR 220.A N GLU 217.A O no hydrogen 3.205 N/A ALA 221.A N VAL 218.A O no hydrogen 3.025 N/A TYR 222.A N ARG 219.A O no hydrogen 2.971 N/A TYR 222.A OH TYR 386.A OH no hydrogen 2.705 N/A ARG 223.A NH1 TRP 323.A O no hydrogen 2.999 N/A ARG 223.A NH2 TRP 323.A O no hydrogen 2.849 N/A THR 227.A OG1 ASP 452.A OD1 no hydrogen 2.951 N/A TRP 228.A N CYS 451.A O no hydrogen 2.888 N/A ASN 230.A N ILE 449.A O no hydrogen 3.086 N/A ASN 230.A ND2 ILE 448.A O no hydrogen 2.950 N/A ARG 232.A N ASN 230.A OD1 no hydrogen 3.158 N/A PHE 233.A N ASN 230.A O no hydrogen 2.997 N/A LYS 234.A N ASP 231.A O no hydrogen 3.295 N/A GLU 235.A N TYR 490.A O no hydrogen 2.752 N/A LYS 236.A N PHE 233.A O no hydrogen 3.121 N/A ILE 238.A N ALA 488.A O no hydrogen 2.801 N/A GLY 241.A N PHE 485.A O no hydrogen 3.206 N/A MET 242.A N LEU 458.A O no hydrogen 2.898 N/A VAL 243.A N SER 483.A O no hydrogen 3.007 N/A PHE 244.A N ILE 456.A O no hydrogen 2.859 N/A ASP 245.A N ALA 480.A O no hydrogen 2.717 N/A VAL 246.A N ASP 454.A O no hydrogen 2.740 N/A ASN 247.A N TYR 478.A O no hydrogen 2.876 N/A ASN 247.A ND2 ASP 472.A O no hydrogen 3.092 N/A ASN 247.A ND2 LYS 475.A O no hydrogen 2.698 N/A ALA 252.A N SER 248.A O no hydrogen 2.948 N/A GLN 253.A N LEU 249.A O no hydrogen 3.194 N/A GLN 253.A NE2 LEU 249.A O no hydrogen 2.924 N/A MET 254.A N TYR 250.A O no hydrogen 3.069 N/A TYR 255.A N PRO 251.A O no hydrogen 2.845 N/A TYR 255.A OH ASP 361.A OD1 no hydrogen 2.830 N/A TYR 255.A OH ASP 361.A OD2 no hydrogen 3.412 N/A SER 256.A OG ALA 252.A O no hydrogen 3.250 N/A ARG 257.A N GLN 253.A O no hydrogen 2.929 N/A ARG 257.A NE GLN 253.A OE1 no hydrogen 2.939 N/A ARG 257.A NH2 THR 436.A OG1 no hydrogen 3.040 N/A LEU 259.A N THR 352.A O no hydrogen 2.958 N/A TYR 261.A N LYS 350.A O no hydrogen 3.050 N/A GLY 262.A N VAL 206.A O no hydrogen 2.760 N/A ILE 265.A N LYS 348.A O no hydrogen 3.044 N/A PHE 267.A N GLY 346.A O no hydrogen 3.012 N/A GLY 269.A N ILE 344.A O no hydrogen 2.903 N/A TYR 271.A N GLN 282.A OE1 no hydrogen 2.968 N/A TYR 271.A OH TYR 277.A O no hydrogen 2.736 N/A ASP 274.A N TYR 271.A OH no hydrogen 3.179 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 3.141 N/A TYR 277.A N ASP 274.A O no hydrogen 2.939 N/A LEU 279.A N PHE 349.A O no hydrogen 3.389 N/A HIS 280.A N ASN 326.A OD1 no hydrogen 3.064 N/A ILE 281.A N LEU 347.A O no hydrogen 2.695 N/A GLN 282.A N LEU 324.A O no hydrogen 2.794 N/A GLN 282.A NE2 GLY 269.A O no hydrogen 3.048 N/A GLN 282.A NE2 HIS 283.A O no hydrogen 3.197 N/A HIS 283.A N SER 345.A O no hydrogen 2.700 N/A HIS 283.A NE2 ASP 321.A OD1 no hydrogen 2.700 N/A ILE 284.A N LEU 322.A O no hydrogen 2.841 N/A ARG 285.A N GLU 342.A O no hydrogen 2.866 N/A ARG 285.A NE ASP 321.A OD2 no hydrogen 2.820 N/A ARG 285.A NH2 ASP 321.A OD2 no hydrogen 3.074 N/A CYS 286.A N ALA 320.A O no hydrogen 2.967 N/A CYS 286.A SG GLU 287.A O no hydrogen 3.888 N/A GLU 287.A N TYR 339.A O no hydrogen 2.798 N/A PHE 288.A N SER 315.A OG no hydrogen 3.043 N/A GLU 289.A N ASP 337.A O no hydrogen 2.964 N/A LEU 290.A N LYS 313.A O no hydrogen 2.696 N/A LYS 291.A N HIS 335.A O no hydrogen 2.900 N/A TYR 294.A N LYS 291.A O no hydrogen 3.259 N/A ILE 295.A N GLN 442.A OE1 no hydrogen 2.958 N/A THR 297.A N TYR 336.A OH no hydrogen 2.989 N/A ILE 298.A N TYR 336.A OH no hydrogen 3.125 N/A LYS 301.A NZ GLY 308.A O no hydrogen 2.989 N/A PHE 305.A N SER 303.A OG no hydrogen 3.394 N/A TYR 306.A OH SER 315.A O no hydrogen 2.641 N/A GLU 310.A N LYS 307.A O no hydrogen 3.184 N/A LEU 312.A N ILE 298.A O no hydrogen 2.784 N/A SER 314.A OG GLU 289.A OE2 no hydrogen 2.837 N/A SER 315.A N PHE 288.A O no hydrogen 3.094 N/A SER 315.A OG PHE 288.A O no hydrogen 3.485 N/A GLY 316.A N SER 314.A OG no hydrogen 2.955 N/A GLU 318.A N SER 315.A O no hydrogen 3.280 N/A ALA 320.A N CYS 286.A O no hydrogen 2.823 N/A LEU 322.A N ILE 284.A O no hydrogen 2.846 N/A LEU 324.A N GLN 282.A O no hydrogen 2.919 N/A SER 325.A OG ASP 328.A OD2 no hydrogen 2.711 N/A ASN 326.A N HIS 280.A O no hydrogen 3.019 N/A ASP 328.A N SER 325.A OG no hydrogen 3.141 N/A LEU 329.A N SER 325.A O no hydrogen 2.916 N/A GLU 330.A N ASN 326.A O no hydrogen 3.075 N/A LEU 331.A N VAL 327.A O no hydrogen 3.153 N/A MET 332.A N ASP 328.A O no hydrogen 2.838 N/A LYS 333.A N LEU 329.A O no hydrogen 3.026 N/A GLU 334.A N GLU 330.A O no hydrogen 3.188 N/A GLU 334.A N LEU 331.A O no hydrogen 3.130 N/A HIS 335.A N LEU 331.A O no hydrogen 3.178 N/A HIS 335.A ND1 ILE 295.A O no hydrogen 2.610 N/A TYR 336.A N MET 332.A O no hydrogen 2.903 N/A TYR 336.A OH LEU 312.A O no hydrogen 2.572 N/A ASP 337.A N GLU 289.A O no hydrogen 2.868 N/A TYR 339.A N GLU 287.A O no hydrogen 2.802 N/A ASN 340.A ND2 GLU 287.A OE1 no hydrogen 2.742 N/A GLU 342.A N ARG 285.A O no hydrogen 2.745 N/A ILE 344.A N HIS 283.A O no hydrogen 2.985 N/A GLY 346.A N PHE 267.A O no hydrogen 3.081 N/A LEU 347.A N ILE 281.A O no hydrogen 2.908 N/A LYS 348.A N ILE 265.A O no hydrogen 2.990 N/A LYS 348.A NZ ASP 274.A OD2 no hydrogen 2.833 N/A PHE 349.A N LEU 279.A O no hydrogen 2.639 N/A THR 352.A N LEU 259.A O no hydrogen 3.053 N/A THR 352.A OG1 THR 353.A O no hydrogen 3.446 N/A LYS 357.A NZ ASP 361.A OD2 no hydrogen 3.118 N/A ILE 360.A N PHE 356.A O no hydrogen 3.013 N/A ASP 361.A N LYS 357.A O no hydrogen 2.781 N/A LYS 362.A N ASP 358.A O no hydrogen 3.054 N/A TRP 363.A N PHE 359.A O no hydrogen 3.242 N/A THR 364.A N ILE 360.A O no hydrogen 2.905 N/A THR 364.A OG1 ILE 360.A O no hydrogen 2.630 N/A THR 364.A OG1 ASP 361.A O no hydrogen 3.442 N/A TYR 365.A N ASP 361.A O no hydrogen 3.410 N/A ILE 366.A N LYS 362.A O no hydrogen 3.142 N/A LYS 367.A N TRP 363.A O no hydrogen 2.949 N/A THR 368.A N THR 364.A O no hydrogen 3.026 N/A THR 368.A OG1 THR 364.A O no hydrogen 3.012 N/A THR 369.A N TYR 365.A O no hydrogen 3.103 N/A THR 369.A OG1 TYR 365.A O no hydrogen 2.703 N/A THR 369.A OG1 ILE 366.A O no hydrogen 3.393 N/A SER 370.A N LYS 367.A O no hydrogen 3.450 N/A SER 370.A OG ILE 366.A O no hydrogen 2.597 N/A ALA 373.A N ASP 132.A OD2 no hydrogen 2.755 N/A LYS 375.A N GLU 371.A O no hydrogen 3.195 N/A LYS 375.A NZ LYS 367.A O no hydrogen 3.107 N/A LYS 375.A NZ SER 370.A O no hydrogen 3.120 N/A GLN 376.A N GLY 372.A O no hydrogen 2.975 N/A LEU 377.A N ALA 373.A O no hydrogen 2.895 N/A ALA 378.A N ILE 374.A O no hydrogen 3.278 N/A LYS 379.A N LYS 375.A O no hydrogen 2.965 N/A LEU 380.A N GLN 376.A O no hydrogen 2.910 N/A MET 381.A N LEU 377.A O no hydrogen 2.987 N/A LEU 382.A N ALA 378.A O no hydrogen 3.251 N/A ASN 383.A N LYS 379.A O no hydrogen 3.025 N/A SER 384.A N LEU 380.A O no hydrogen 2.808 N/A SER 384.A OG LEU 380.A O no hydrogen 2.591 N/A SER 384.A OG MET 381.A O no hydrogen 3.562 N/A LEU 385.A N MET 381.A O no hydrogen 3.280 N/A TYR 386.A OH TYR 222.A OH no hydrogen 2.705 N/A GLY 387.A N ASN 383.A O no hydrogen 3.325 N/A LYS 388.A N SER 384.A O no hydrogen 2.688 N/A PHE 389.A N LEU 385.A O no hydrogen 3.295 N/A ALA 390.A N TYR 386.A O no hydrogen 3.394 N/A SER 391.A N LYS 388.A O no hydrogen 3.101 N/A SER 391.A OG LYS 388.A O no hydrogen 2.656 N/A VAL 395.A N GLU 416.A O no hydrogen 2.938 N/A THR 396.A N ASP 394.A OD1 no hydrogen 3.408 N/A THR 396.A OG1 ASP 394.A OD1 no hydrogen 2.889 N/A LYS 398.A N ILE 90.A O no hydrogen 2.862 N/A VAL 399.A N ARG 411.A O no hydrogen 2.703 N/A TYR 401.A N GLY 409.A O no hydrogen 2.913 N/A LYS 403.A N ALA 407.A O no hydrogen 2.866 N/A GLY 406.A N LYS 403.A O no hydrogen 3.241 N/A GLY 409.A N TYR 401.A O no hydrogen 2.739 N/A ARG 411.A N VAL 399.A O no hydrogen 2.915 N/A GLY 413.A N GLY 397.A O no hydrogen 2.848 N/A GLU 416.A N THR 396.A OG1 no hydrogen 3.000 N/A LYS 418.A N PRO 393.A O no hydrogen 2.920 N/A LYS 418.A NZ ASP 419.A O no hydrogen 2.849 N/A TYR 422.A N PHE 389.A O no hydrogen 3.119 N/A TYR 422.A OH GLY 262.A O no hydrogen 2.550 N/A THR 423.A OG1 ASP 215.A OD2 no hydrogen 2.544 N/A MET 425.A N TYR 422.A O no hydrogen 3.166 N/A VAL 427.A N THR 423.A O no hydrogen 3.154 N/A PHE 428.A N PRO 424.A O no hydrogen 3.168 N/A ILE 429.A N MET 425.A O no hydrogen 2.962 N/A THR 430.A N GLY 426.A O no hydrogen 3.306 N/A THR 430.A OG1 ARG 223.A O no hydrogen 2.752 N/A THR 430.A OG1 GLY 426.A O no hydrogen 3.282 N/A THR 430.A OG1 VAL 427.A O no hydrogen 3.199 N/A ALA 431.A N VAL 427.A O no hydrogen 3.197 N/A TRP 432.A N PHE 428.A O no hydrogen 2.895 N/A TRP 432.A NE1 LEU 258.A O no hydrogen 2.988 N/A ALA 433.A N ILE 429.A O no hydrogen 3.055 N/A ARG 434.A N THR 430.A O no hydrogen 2.856 N/A ARG 434.A NE ASP 328.A OD1 no hydrogen 3.165 N/A ARG 434.A NH1 ARG 223.A O no hydrogen 3.108 N/A ARG 434.A NH1 GLY 224.A O no hydrogen 2.737 N/A ARG 434.A NH1 THR 430.A OG1 no hydrogen 3.302 N/A ARG 434.A NH2 ASP 328.A OD1 no hydrogen 3.225 N/A ARG 434.A NH2 ASP 328.A OD2 no hydrogen 2.878 N/A TYR 435.A N ALA 431.A O no hydrogen 3.004 N/A THR 436.A N TRP 432.A O no hydrogen 2.988 N/A THR 436.A OG1 GLN 253.A OE1 no hydrogen 3.559 N/A THR 436.A OG1 TRP 432.A O no hydrogen 2.788 N/A THR 437.A N ALA 433.A O no hydrogen 3.013 N/A THR 437.A OG1 ALA 433.A O no hydrogen 3.437 N/A THR 437.A OG1 THR 453.A O no hydrogen 2.667 N/A ILE 438.A N ARG 434.A O no hydrogen 2.760 N/A THR 439.A N TYR 435.A O no hydrogen 3.028 N/A THR 439.A OG1 TYR 435.A O no hydrogen 2.835 N/A THR 439.A OG1 THR 436.A O no hydrogen 3.225 N/A ALA 441.A N THR 437.A O no hydrogen 2.997 N/A GLN 442.A N ILE 438.A O no hydrogen 2.785 N/A GLN 442.A NE2 GLY 293.A O no hydrogen 2.937 N/A ALA 443.A N THR 439.A O no hydrogen 2.964 N/A CYS 444.A N ALA 440.A O no hydrogen 3.188 N/A CYS 444.A N ALA 441.A O no hydrogen 3.189 N/A CYS 444.A SG ALA 440.A O no hydrogen 3.420 N/A TYR 445.A N GLN 442.A O no hydrogen 3.307 N/A ARG 447.A N CYS 444.A O no hydrogen 2.802 N/A ARG 447.A NE THR 459.A O no hydrogen 2.891 N/A ARG 447.A NH1 GLU 462.A O no hydrogen 2.942 N/A ARG 447.A NH2 THR 459.A O no hydrogen 2.846 N/A ARG 447.A NH2 GLU 462.A O no hydrogen 2.846 N/A ILE 448.A N CYS 444.A O no hydrogen 2.832 N/A ILE 449.A N HIS 457.A O no hydrogen 2.765 N/A CYS 451.A N TRP 228.A O no hydrogen 2.962 N/A THR 453.A N PHE 226.A O no hydrogen 2.792 N/A THR 453.A OG1 ASP 452.A OD1 no hydrogen 2.886 N/A ASP 454.A N ASP 452.A O no hydrogen 2.829 N/A SER 455.A OG ASP 452.A O no hydrogen 3.045 N/A ILE 456.A N PHE 244.A O no hydrogen 2.942 N/A HIS 457.A N TYR 450.A O no hydrogen 2.834 N/A HIS 457.A ND1 TYR 490.A OH no hydrogen 2.667 N/A LEU 458.A N MET 242.A O no hydrogen 2.785 N/A THR 459.A N ARG 447.A O no hydrogen 3.032 N/A THR 459.A OG1 ARG 447.A O no hydrogen 3.368 N/A GLY 460.A N GLU 240.A O no hydrogen 2.879 N/A THR 461.A OG1 GLU 462.A OE2 no hydrogen 3.136 N/A ILE 467.A N PRO 464.A O no hydrogen 3.273 N/A LYS 468.A N ASP 465.A O no hydrogen 3.465 N/A ILE 470.A N ILE 467.A O no hydrogen 2.961 N/A ASP 472.A N TRP 479.A O no hydrogen 2.675 N/A LYS 474.A N ASP 472.A OD1 no hydrogen 2.947 N/A LYS 475.A N ASP 472.A OD1 no hydrogen 2.767 N/A GLY 477.A N ASN 247.A O no hydrogen 2.923 N/A TYR 478.A N LYS 475.A O no hydrogen 3.095 N/A TRP 479.A N ILE 470.A O no hydrogen 2.901 N/A ALA 480.A N ASP 245.A O no hydrogen 2.817 N/A HIS 481.A NE2 THR 484.A OG1 no hydrogen 2.828 N/A GLU 482.A N VAL 243.A O no hydrogen 2.829 N/A THR 484.A OG1 HIS 481.A NE2 no hydrogen 2.828 N/A PHE 485.A N GLY 241.A O no hydrogen 2.852 N/A LYS 486.A N ASP 499.A O no hydrogen 2.685 N/A ARG 487.A NE ASP 499.A OD2 no hydrogen 2.898 N/A ARG 487.A NH2 ASP 499.A OD2 no hydrogen 3.484 N/A ALA 488.A N ILE 238.A O no hydrogen 2.966 N/A LYS 489.A N ILE 497.A O no hydrogen 3.135 N/A LYS 489.A NZ PHE 539.A O no hydrogen 2.936 N/A LYS 489.A NZ PHE 542.A O no hydrogen 2.870 N/A TYR 490.A OH HIS 457.A ND1 no hydrogen 2.667 N/A LEU 491.A N THR 495.A O no hydrogen 2.875 N/A ARG 492.A NE THR 495.A OG1 no hydrogen 3.078 N/A LYS 494.A N TYR 450.A OH no hydrogen 2.680 N/A LYS 494.A NZ ASP 452.A OD1 no hydrogen 3.298 N/A LYS 494.A NZ ASP 452.A OD2 no hydrogen 2.847 N/A THR 495.A N ARG 492.A O no hydrogen 3.259 N/A THR 495.A OG1 GLN 493.A O no hydrogen 2.889 N/A TYR 496.A N LYS 525.A O no hydrogen 2.719 N/A ILE 497.A N LYS 489.A O no hydrogen 2.980 N/A GLN 498.A N SER 523.A O no hydrogen 2.912 N/A GLN 498.A NE2 TYR 490.A OH no hydrogen 2.866 N/A ASP 499.A N ARG 487.A O no hydrogen 2.962 N/A ILE 500.A N LYS 521.A O no hydrogen 2.799 N/A TYR 501.A N THR 484.A O no hydrogen 3.025 N/A TYR 501.A OH GLU 240.A OE2 no hydrogen 2.625 N/A MET 502.A N ASP 519.A O.A no hydrogen 2.719 N/A MET 502.A N ASP 519.A O.B no hydrogen 2.779 N/A LYS 503.A N VAL 510.A O no hydrogen 2.606 N/A LYS 503.A NZ ASP 516.A OD2 no hydrogen 2.753 N/A VAL 505.A N LYS 508.A O no hydrogen 2.957 N/A VAL 510.A N LYS 503.A O no hydrogen 2.605 N/A GLU 511.A N GLU 511.A OE1 no hydrogen 2.904 N/A GLY 512.A N TYR 501.A O no hydrogen 2.822 N/A SER 513.A N ASP 516.A O no hydrogen 3.123 N/A SER 513.A OG ASP 515.A OD1 no hydrogen 2.733 N/A ASP 516.A N SER 513.A OG no hydrogen 3.350 N/A THR 518.A N MET 502.A O no hydrogen 2.854 N/A THR 518.A OG1 ASP 519.A OD1.B no hydrogen 2.733 N/A ASP 519.A N.A MET 502.A O no hydrogen 3.012 N/A ASP 519.A N.B MET 502.A O no hydrogen 3.010 N/A LYS 521.A N ILE 500.A O no hydrogen 2.859 N/A SER 523.A N GLN 498.A O no hydrogen 2.836 N/A LYS 525.A N TYR 496.A O no hydrogen 2.824 N/A ALA 527.A N LYS 494.A O no hydrogen 2.937 N/A MET 529.A N CYS 526.A O no hydrogen 3.006 N/A ILE 533.A N THR 530.A O no hydrogen 3.131 N/A LYS 534.A N THR 530.A O no hydrogen 3.164 N/A LYS 534.A NZ VAL 524.A O no hydrogen 2.926 N/A GLU 536.A N ILE 533.A O no hydrogen 2.855 N/A VAL 537.A N LYS 534.A O no hydrogen 3.242 N/A THR 538.A N ASN 541.A OD1 no hydrogen 2.866 N/A ASN 541.A N THR 538.A OG1 no hydrogen 3.027 N/A ASN 541.A ND2 GLU 536.A O no hydrogen 3.123 N/A LYS 543.A N ASN 541.A O no hydrogen 3.017 N/A GLY 545.A N ILE 570.A O no hydrogen 2.844 N/A PHE 546.A N LYS 543.A O no hydrogen 3.141 N/A SER 547.A OG THR 569.A OG1 no hydrogen 3.114 N/A ARG 548.A N PHE 568.A O no hydrogen 3.184 N/A ARG 548.A NE GLU 536.A OE1 no hydrogen 3.365 N/A ARG 548.A NH1 SER 547.A O no hydrogen 2.852 N/A LYS 551.A N ASP 566.A O no hydrogen 2.810 N/A LYS 551.A NZ GLY 528.A O no hydrogen 2.888 N/A LYS 553.A N VAL 564.A O no hydrogen 2.904 N/A VAL 555.A N VAL 562.A O no hydrogen 2.747 N/A VAL 557.A N GLY 560.A O no hydrogen 2.923 N/A GLY 560.A N VAL 557.A O no hydrogen 3.193 N/A VAL 562.A N VAL 555.A O no hydrogen 3.067 N/A VAL 564.A N LYS 553.A O no hydrogen 2.894 N/A ASP 566.A N LYS 551.A O no hydrogen 2.644 N/A PHE 568.A N ARG 548.A O no hydrogen 2.968 N/A THR 569.A OG1 SER 547.A OG no hydrogen 3.114 N/A ILE 570.A N PHE 546.A O no hydrogen 2.957 N/A