Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 548.A O no hydrogen 2.914 N/A LEU 3.A N ILE 546.A O no hydrogen 2.840 N/A TYR 5.A OH GLU 9.A OE1 no hydrogen 2.679 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.955 N/A ALA 7.A N SER 4.A OG no hydrogen 2.838 N/A LEU 8.A N SER 4.A O no hydrogen 3.017 N/A LEU 8.A N TYR 5.A O no hydrogen 3.085 N/A GLU 9.A N TYR 5.A O no hydrogen 2.899 N/A TRP 10.A N GLU 9.A OE2 no hydrogen 2.766 N/A TRP 10.A NE1 LEU 531.A O no hydrogen 2.853 N/A ARG 11.A N GLU 9.A OE2 no hydrogen 2.828 N/A ARG 11.A NE GLU 9.A OE2 no hydrogen 3.035 N/A ARG 11.A NH2 GLU 9.A OE1 no hydrogen 3.075 N/A THR 12.A N ASP 296.A OD2 no hydrogen 3.001 N/A THR 12.A OG1 ASP 296.A OD1 no hydrogen 2.636 N/A GLU 19.A N ASN 16.A O no hydrogen 2.990 N/A VAL 21.A N LEU 286.A O no hydrogen 2.910 N/A PHE 30.A N PRO 27.A O no hydrogen 3.193 N/A GLN 32.A N PHE 29.A O no hydrogen 2.860 N/A GLN 32.A NE2 SER 262.A O no hydrogen 2.975 N/A ALA 35.A N GLN 32.A O no hydrogen 3.220 N/A ARG 36.A N GLN 32.A O no hydrogen 3.212 N/A ARG 36.A NH1 GLU 40.A OE1 no hydrogen 3.191 N/A GLU 37.A N GLU 33.A O no hydrogen 2.843 N/A ALA 38.A N ARG 34.A O no hydrogen 3.102 N/A LEU 39.A N ALA 35.A O no hydrogen 2.853 N/A GLU 40.A N ARG 36.A O no hydrogen 2.826 N/A LEU 41.A N GLU 37.A O no hydrogen 3.034 N/A ALA 42.A N ALA 38.A O no hydrogen 2.991 N/A ILE 43.A N LEU 39.A O no hydrogen 2.838 N/A ARG 44.A N GLU 40.A O no hydrogen 2.718 N/A GLY 45.A N LEU 41.A O no hydrogen 2.905 N/A GLY 46.A N ILE 43.A O no hydrogen 3.509 N/A PHE 47.A N ALA 42.A O no hydrogen 3.061 N/A ALA 49.A N VAL 233.A O no hydrogen 3.026 N/A TYR 50.A N ILE 257.A O no hydrogen 3.049 N/A LEU 51.A N LEU 235.A O no hydrogen 2.931 N/A VAL 52.A N ALA 259.A O no hydrogen 2.980 N/A GLY 53.A N GLY 237.A O no hydrogen 3.110 N/A SER 56.A OG GLU 314.A OE2 no hydrogen 2.966 N/A LYS 59.A NZ GLY 53.A O no hydrogen 3.307 N/A LYS 59.A NZ PRO 54.A O no hydrogen 2.759 N/A HIS 60.A NE2 ASP 189.A OD1 no hydrogen 2.535 N/A ALA 62.A N GLY 58.A O no hydrogen 2.932 N/A LEU 63.A N LYS 59.A O no hydrogen 2.964 N/A LEU 64.A N HIS 60.A O no hydrogen 2.879 N/A ALA 65.A N GLU 61.A O no hydrogen 3.236 N/A TYR 66.A N ALA 62.A O no hydrogen 2.844 N/A LEU 67.A N LEU 63.A O no hydrogen 2.751 N/A LEU 67.A N LEU 64.A O no hydrogen 2.907 N/A SER 68.A N LEU 64.A O no hydrogen 3.067 N/A SER 68.A OG LEU 64.A O no hydrogen 3.175 N/A THR 69.A OG1 TYR 66.A O no hydrogen 3.014 N/A GLN 70.A N LEU 67.A O no hydrogen 2.873 N/A GLN 70.A NE2 TYR 66.A O no hydrogen 3.584 N/A GLN 70.A NE2 THR 69.A OG1 no hydrogen 3.273 N/A SER 71.A OG GLY 141.A O no hydrogen 3.531 N/A VAL 72.A N GLY 141.A O no hydrogen 2.401 N/A LEU 78.A N THR 136.A O no hydrogen 3.020 N/A LEU 79.A N LEU 91.A O no hydrogen 3.079 N/A TYR 80.A N ASN 133.A O no hydrogen 2.866 N/A VAL 81.A N ALA 89.A O no hydrogen 3.018 N/A LEU 83.A N LYS 87.A O no hydrogen 3.071 N/A ARG 86.A N SER 84.A OG no hydrogen 2.738 N/A VAL 88.A N GLU 223.A O no hydrogen 3.006 N/A ALA 89.A N VAL 81.A O no hydrogen 3.010 N/A LEU 91.A N LEU 79.A O no hydrogen 2.433 N/A SER 95.A OG SER 138.A O no hydrogen 3.454 N/A ILE 99.A N GLY 96.A O no hydrogen 3.509 N/A ALA 102.A N HIS 100.A O no hydrogen 2.526 N/A VAL 105.A N LEU 101.A O no hydrogen 3.080 N/A GLU 106.A N ALA 102.A O no hydrogen 3.160 N/A GLY 107.A N GLU 103.A O no hydrogen 2.726 N/A GLN 113.A NE2 THR 92.A O no hydrogen 3.549 N/A ALA 114.A N PHE 111.A O no hydrogen 2.864 N/A ARG 121.A NE GLU 124.A OE1 no hydrogen 3.022 N/A ARG 121.A NH2 GLU 124.A OE1 no hydrogen 2.614 N/A TYR 122.A OH GLU 85.A OE1 no hydrogen 3.417 N/A THR 125.A OG1 GLU 124.A O no hydrogen 3.404 N/A TRP 130.A NE1 GLU 85.A OE1 no hydrogen 2.899 N/A ASN 133.A N TYR 80.A O no hydrogen 2.504 N/A LEU 135.A N LEU 78.A O no hydrogen 2.548 N/A THR 136.A N LEU 78.A O no hydrogen 3.278 N/A SER 140.A OG THR 142.A O no hydrogen 3.176 N/A THR 142.A OG1 SER 71.A OG no hydrogen 3.055 N/A VAL 147.A N TYR 185.A O no hydrogen 2.869 N/A TYR 148.A OH ASP 189.A OD2 no hydrogen 2.326 N/A GLU 149.A N ILE 187.A O no hydrogen 3.079 N/A TYR 151.A N GLU 149.A OE2 no hydrogen 2.682 N/A ALA 152.A N SER 192.A OG no hydrogen 2.738 N/A THR 153.A N TYR 151.A O no hydrogen 2.889 N/A ARG 156.A N THR 153.A OG1 no hydrogen 3.280 N/A ARG 156.A NH1 GLU 149.A OE1 no hydrogen 2.901 N/A LEU 157.A N THR 153.A O no hydrogen 2.949 N/A PHE 158.A N ALA 154.A O no hydrogen 2.674 N/A GLY 159.A N PRO 155.A O no hydrogen 2.722 N/A ARG 160.A N ARG 174.A O no hydrogen 2.933 N/A LEU 161.A N VAL 214.A O no hydrogen 2.854 N/A ASP 162.A N LEU 172.A O no hydrogen 3.064 N/A THR 168.A OG1 ASP 162.A O no hydrogen 2.535 N/A THR 168.A OG1 SER 167.A O no hydrogen 2.694 N/A SER 171.A N ASN 169.A OD1 no hydrogen 2.758 N/A SER 171.A OG ASN 169.A OD1 no hydrogen 2.853 N/A LEU 172.A N ASN 169.A O no hydrogen 2.747 N/A ILE 173.A N VAL 170.A O no hydrogen 3.408 N/A ARG 174.A N ARG 160.A O no hydrogen 2.798 N/A ALA 177.A N ARG 156.A O no hydrogen 2.564 N/A VAL 178.A N LEU 157.A O no hydrogen 2.958 N/A HIS 179.A NE2 PHE 158.A O no hydrogen 3.261 N/A ARG 180.A N GLY 176.A O no hydrogen 3.316 N/A ALA 181.A N ALA 177.A O no hydrogen 3.095 N/A GLN 182.A N HIS 179.A O no hydrogen 3.151 N/A GLN 182.A NE2 VAL 178.A O no hydrogen 3.110 N/A GLY 183.A N GLN 230.A O no hydrogen 2.683 N/A GLY 184.A N ALA 181.A O no hydrogen 2.872 N/A TYR 185.A N PRO 145.A O no hydrogen 2.912 N/A LEU 186.A N GLN 232.A O no hydrogen 3.075 N/A ILE 187.A N VAL 147.A O no hydrogen 2.700 N/A LEU 188.A N ILE 234.A O no hydrogen 3.189 N/A ALA 190.A N VAL 236.A O no hydrogen 2.880 N/A SER 192.A OG PRO 150.A O no hydrogen 3.253 N/A LEU 193.A N ASP 189.A O no hydrogen 3.259 N/A LYS 194.A N ALA 190.A O no hydrogen 3.318 N/A LYS 194.A NZ ALA 241.A O no hydrogen 3.181 N/A ARG 195.A N LEU 191.A O no hydrogen 2.841 N/A GLU 196.A N SER 192.A O no hydrogen 2.606 N/A GLY 197.A N LYS 194.A O no hydrogen 3.009 N/A THR 198.A N LEU 193.A O no hydrogen 2.936 N/A THR 198.A OG1 ALA 152.A O no hydrogen 2.921 N/A THR 198.A OG1 LEU 193.A O no hydrogen 3.535 N/A TRP 199.A NE1 ASP 248.A OD2 no hydrogen 2.764 N/A PHE 202.A N THR 198.A O no hydrogen 2.817 N/A LYS 203.A N TRP 199.A O no hydrogen 3.002 N/A LYS 203.A NZ GLU 200.A OE1 no hydrogen 2.829 N/A LYS 203.A NZ GLU 200.A OE2 no hydrogen 3.320 N/A LYS 203.A NZ ASP 248.A OD2 no hydrogen 3.222 N/A ARG 204.A N GLU 200.A O no hydrogen 3.168 N/A ALA 205.A N ALA 201.A O no hydrogen 3.127 N/A LEU 206.A N PHE 202.A O no hydrogen 3.109 N/A ARG 207.A N LYS 203.A O no hydrogen 2.702 N/A ARG 207.A NH2 GLU 253.A OE2 no hydrogen 3.534 N/A ASN 208.A N ARG 204.A O no hydrogen 2.864 N/A ASN 208.A ND2 GLN 210.A OE1 no hydrogen 3.275 N/A GLN 210.A N ARG 204.A O no hydrogen 3.368 N/A VAL 214.A N GLY 159.A O no hydrogen 2.713 N/A GLU 216.A N TYR 163.A OH no hydrogen 2.643 N/A GLU 223.A N ARG 86.A O no hydrogen 2.983 N/A GLU 225.A N VAL 88.A O no hydrogen 2.880 N/A GLN 230.A N GLN 182.A OE1 no hydrogen 2.405 N/A GLN 232.A N GLY 184.A O no hydrogen 2.800 N/A GLN 232.A NE2 ALA 42.A O no hydrogen 2.473 N/A GLN 232.A NE2 PHE 47.A O no hydrogen 2.864 N/A ILE 234.A N LEU 186.A O no hydrogen 2.916 N/A LEU 235.A N ALA 49.A O no hydrogen 2.880 N/A VAL 236.A N LEU 188.A O no hydrogen 2.908 N/A GLY 237.A N LEU 51.A O no hydrogen 3.092 N/A ALA 241.A N THR 238.A OG1 no hydrogen 2.970 N/A PHE 242.A N THR 238.A O no hydrogen 3.354 N/A GLU 243.A N GLU 240.A O no hydrogen 3.004 N/A GLU 246.A N PHE 242.A O no hydrogen 2.758 N/A ASP 248.A N LEU 245.A O no hydrogen 2.923 N/A ALA 250.A N ASP 248.A OD1 no hydrogen 2.649 N/A PHE 251.A N ASP 248.A O no hydrogen 2.730 N/A GLU 253.A N PRO 249.A O no hydrogen 3.296 N/A LEU 254.A N ALA 250.A O no hydrogen 2.971 N/A PHE 255.A N PHE 251.A O no hydrogen 2.773 N/A ILE 257.A N HIS 48.A O no hydrogen 3.425 N/A ARG 258.A NE GLU 260.A OE1 no hydrogen 3.128 N/A ARG 258.A NH1 GLU 260.A OE1 no hydrogen 3.302 N/A ARG 258.A NH2 TYR 50.A OH no hydrogen 2.917 N/A ALA 259.A N TYR 50.A O no hydrogen 2.746 N/A PHE 261.A N VAL 52.A O no hydrogen 2.852 N/A SER 262.A N GLN 32.A OE1 no hydrogen 2.800 N/A LEU 265.A N MET 308.A O no hydrogen 2.797 N/A ALA 267.A N ASP 306.A O no hydrogen 2.974 N/A ASN 271.A N SER 268.A OG no hydrogen 3.117 N/A ASN 271.A ND2 PRO 266.A O no hydrogen 2.831 N/A CYS 272.A N SER 268.A O no hydrogen 2.950 N/A THR 273.A N PRO 269.A O no hydrogen 3.011 N/A THR 273.A OG1 PRO 269.A O no hydrogen 2.864 N/A ALA 274.A N GLU 270.A O no hydrogen 2.977 N/A LEU 275.A N ASN 271.A O no hydrogen 2.721 N/A GLY 276.A N CYS 272.A O no hydrogen 2.880 N/A GLY 277.A N THR 273.A O no hydrogen 2.927 N/A TRP 278.A N ALA 274.A O no hydrogen 2.816 N/A LEU 279.A N LEU 275.A O no hydrogen 2.725 N/A LEU 280.A N GLY 276.A O no hydrogen 3.200 N/A ALA 281.A N GLY 277.A O no hydrogen 3.023 N/A GLN 282.A N TRP 278.A O no hydrogen 2.925 N/A GLY 283.A N LEU 280.A O no hydrogen 2.863 N/A PHE 284.A N LEU 279.A O no hydrogen 3.141 N/A GLN 285.A NE2 GLY 283.A O no hydrogen 3.248 N/A THR 287.A N LEU 330.A O no hydrogen 3.069 N/A THR 287.A OG1 SER 17.A O no hydrogen 2.995 N/A THR 287.A OG1 LEU 330.A O no hydrogen 3.247 N/A GLN 288.A N GLU 19.A O no hydrogen 2.920 N/A GLY 289.A N SER 17.A O no hydrogen 3.041 N/A GLY 290.A N THR 287.A OG1 no hydrogen 3.209 N/A LEU 291.A N THR 287.A O no hydrogen 3.026 N/A THR 292.A N GLN 288.A O no hydrogen 2.915 N/A THR 292.A OG1 GLN 288.A O no hydrogen 2.880 N/A ARG 293.A N GLY 289.A O no hydrogen 3.029 N/A ARG 293.A NE GLU 336.A OE2 no hydrogen 2.563 N/A ARG 293.A NH2 GLU 336.A OE2 no hydrogen 3.114 N/A LEU 294.A N GLY 290.A O no hydrogen 2.947 N/A TYR 295.A N LEU 291.A O no hydrogen 2.887 N/A ASP 296.A N THR 292.A O no hydrogen 2.837 N/A GLU 297.A N ARG 293.A O no hydrogen 2.988 N/A ALA 298.A N LEU 294.A O no hydrogen 3.035 N/A ARG 299.A N TYR 295.A O no hydrogen 3.094 N/A ARG 299.A NE ARG 305.A O no hydrogen 3.137 N/A ARG 299.A NH1 TRP 10.A O no hydrogen 2.999 N/A ARG 299.A NH1 ASP 296.A OD1 no hydrogen 2.842 N/A ARG 299.A NH2 TRP 10.A O no hydrogen 3.040 N/A ARG 299.A NH2 ARG 305.A O no hydrogen 2.929 N/A ARG 300.A N ASP 296.A O no hydrogen 2.984 N/A ARG 300.A NH1 GLU 502.A OE2 no hydrogen 2.663 N/A ARG 300.A NH1 THR 530.A O no hydrogen 2.963 N/A ARG 300.A NH2 GLU 502.A OE1 no hydrogen 2.769 N/A ARG 300.A NH2 GLU 502.A OE2 no hydrogen 3.385 N/A MET 301.A N GLU 297.A O no hydrogen 2.813 N/A ALA 302.A N ALA 298.A O no hydrogen 3.035 N/A GLU 303.A N ARG 300.A O no hydrogen 2.704 N/A GLN 304.A N ARG 299.A O no hydrogen 3.253 N/A GLN 304.A NE2 ALA 302.A O no hydrogen 3.256 N/A ARG 305.A N ALA 527.A O no hydrogen 2.921 N/A ARG 305.A NH1 ALA 7.A O no hydrogen 3.541 N/A ARG 305.A NH1 LEU 8.A O no hydrogen 3.318 N/A ARG 305.A NH1 LEU 529.A O no hydrogen 3.378 N/A ARG 307.A NH1 THR 264.A O no hydrogen 3.328 N/A MET 308.A N LEU 265.A O no hydrogen 2.773 N/A ASP 309.A N ALA 298.A O no hydrogen 2.820 N/A ALA 310.A N PRO 263.A O no hydrogen 2.891 N/A ARG 311.A N ASP 309.A OD1 no hydrogen 3.165 N/A ARG 311.A NE ASP 309.A OD1 no hydrogen 2.722 N/A VAL 313.A N SER 56.A O no hydrogen 3.299 N/A ILE 315.A N ARG 311.A O no hydrogen 3.130 N/A ARG 316.A N LEU 312.A O no hydrogen 2.920 N/A ARG 316.A NH1 GLU 61.A OE1 no hydrogen 2.806 N/A ARG 316.A NH1 GLU 61.A OE2 no hydrogen 3.236 N/A ARG 316.A NH1 GLN 282.A OE1 no hydrogen 2.891 N/A ARG 316.A NH2 GLU 61.A OE2 no hydrogen 2.770 N/A ALA 317.A N VAL 313.A O no hydrogen 3.014 N/A LEU 318.A N GLU 314.A O no hydrogen 3.160 N/A ALA 319.A N ILE 315.A O no hydrogen 2.896 N/A GLU 320.A N ARG 316.A O no hydrogen 2.654 N/A GLU 321.A N ALA 317.A O no hydrogen 3.278 N/A ALA 322.A N LEU 318.A O no hydrogen 3.007 N/A ALA 323.A N ALA 319.A O no hydrogen 2.801 N/A VAL 324.A N GLU 320.A O no hydrogen 3.275 N/A LEU 325.A N GLU 321.A O no hydrogen 3.221 N/A GLY 326.A N ALA 322.A O no hydrogen 2.787 N/A GLY 327.A N VAL 324.A O no hydrogen 3.140 N/A GLY 328.A N ALA 323.A O no hydrogen 2.661 N/A LEU 329.A N GLY 326.A O no hydrogen 3.202 N/A LEU 330.A N GLN 285.A O no hydrogen 3.024 N/A THR 331.A N SER 334.A OG no hydrogen 2.990 N/A SER 334.A N THR 331.A OG1 no hydrogen 2.992 N/A SER 334.A OG THR 331.A O no hydrogen 3.173 N/A SER 334.A OG THR 331.A OG1 no hydrogen 3.428 N/A VAL 335.A N THR 331.A O no hydrogen 3.177 N/A GLU 336.A N ALA 332.A O no hydrogen 3.039 N/A GLN 337.A N GLU 333.A O no hydrogen 2.766 N/A ALA 338.A N SER 334.A O no hydrogen 2.703 N/A ILE 339.A N VAL 335.A O no hydrogen 2.906 N/A ALA 340.A N GLU 336.A O no hydrogen 2.988 N/A ALA 341.A N GLN 337.A O no hydrogen 2.912 N/A ARG 342.A N ALA 338.A O no hydrogen 2.927 N/A ARG 342.A NE GLU 321.A OE1 no hydrogen 2.834 N/A ARG 342.A NE GLU 321.A OE2 no hydrogen 3.459 N/A ARG 342.A NH2 GLU 321.A OE2 no hydrogen 2.995 N/A GLU 343.A N ILE 339.A O no hydrogen 3.108 N/A HIS 344.A N ALA 340.A O no hydrogen 2.792 N/A ARG 345.A N ALA 341.A O no hydrogen 2.966 N/A ARG 345.A NH2 GLU 321.A OE1 no hydrogen 3.193 N/A SER 346.A N ARG 342.A O no hydrogen 3.333 N/A SER 346.A N GLU 343.A O no hydrogen 3.131 N/A PHE 347.A N HIS 344.A O no hydrogen 3.203 N/A SER 349.A OG GLU 350.A OE2 no hydrogen 2.621 N/A GLU 351.A N PHE 347.A O no hydrogen 2.819 N/A GLU 352.A N LEU 348.A O no hydrogen 2.800 N/A PHE 353.A N SER 349.A O no hydrogen 2.980 N/A LEU 354.A N GLU 350.A O no hydrogen 2.817 N/A ARG 355.A N GLU 351.A O no hydrogen 2.979 N/A ALA 356.A N GLU 352.A O no hydrogen 3.050 N/A VAL 357.A N PHE 353.A O no hydrogen 2.892 N/A GLN 358.A N LEU 354.A O no hydrogen 2.962 N/A GLN 358.A NE2 ALA 510.A O no hydrogen 2.910 N/A GLU 359.A N ARG 355.A O no hydrogen 2.884 N/A GLY 360.A N VAL 357.A O no hydrogen 3.133 N/A ILE 362.A N ALA 356.A O no hydrogen 3.062 N/A ARG 363.A N GLN 448.A OE1 no hydrogen 3.022 N/A ARG 365.A NE THR 367.A O no hydrogen 3.248 N/A ARG 365.A NH2 THR 367.A O no hydrogen 2.997 N/A ARG 365.A NH2 ARG 369.A O no hydrogen 3.497 N/A ALA 370.A N LEU 475.A O no hydrogen 3.017 N/A GLY 372.A N SER 468.A OG no hydrogen 2.818 N/A VAL 374.A N LEU 392.A O no hydrogen 3.086 N/A ASN 375.A ND2 ARG 365.A O no hydrogen 2.855 N/A ASN 375.A ND2 GLN 477.A O no hydrogen 2.933 N/A SER 376.A N ALA 390.A O no hydrogen 2.873 N/A VAL 378.A N ARG 388.A O no hydrogen 2.845 N/A VAL 380.A N TRP 386.A O no hydrogen 2.768 N/A TYR 385.A N ALA 382.A O no hydrogen 3.076 N/A TRP 386.A NE1 SER 346.A O no hydrogen 3.033 N/A ARG 388.A N VAL 378.A O no hydrogen 2.818 N/A ARG 388.A NE GLU 350.A OE1 no hydrogen 2.861 N/A ARG 388.A NH2 GLU 350.A OE1 no hydrogen 3.517 N/A ARG 388.A NH2 GLU 350.A OE2 no hydrogen 2.653 N/A ALA 390.A N SER 376.A O no hydrogen 2.806 N/A ARG 391.A NE GLU 373.A OE1 no hydrogen 2.732 N/A ARG 391.A NH2 GLU 373.A OE1 no hydrogen 3.320 N/A LEU 392.A N VAL 374.A O no hydrogen 2.846 N/A THR 393.A N ALA 445.A O no hydrogen 2.759 N/A THR 393.A OG1 ALA 445.A O no hydrogen 3.432 N/A THR 393.A OG1 GLU 447.A OE2 no hydrogen 2.719 N/A ALA 394.A N GLY 372.A O no hydrogen 2.807 N/A ARG 395.A N SER 443.A O no hydrogen 2.815 N/A ALA 397.A N THR 441.A O no hydrogen 3.005 N/A GLY 399.A N PRO 439.A O no hydrogen 3.169 N/A ASP 401.A N LEU 438.A O no hydrogen 2.688 N/A HIS 402.A N VAL 440.A O no hydrogen 3.298 N/A ILE 404.A N ILE 442.A O no hydrogen 2.707 N/A ILE 406.A N LEU 444.A O no hydrogen 3.008 N/A ARG 408.A N SER 405.A OG no hydrogen 3.273 N/A GLU 409.A N SER 405.A O no hydrogen 3.009 N/A ALA 410.A N ILE 406.A O no hydrogen 2.899 N/A GLY 411.A N ARG 408.A O no hydrogen 3.002 N/A LEU 412.A N ASP 407.A O no hydrogen 2.737 N/A GLY 413.A N ASP 407.A O no hydrogen 3.140 N/A GLY 414.A N ILE 453.A O no hydrogen 2.880 N/A ILE 416.A N GLU 454.A OE1 no hydrogen 2.958 N/A PHE 417.A N GLU 454.A OE2 no hydrogen 2.852 N/A HIS 418.A N GLY 414.A O no hydrogen 2.822 N/A LYS 419.A N GLN 415.A O no hydrogen 2.679 N/A ALA 420.A N ILE 416.A O no hydrogen 2.932 N/A VAL 421.A N PHE 417.A O no hydrogen 3.278 N/A LEU 422.A N HIS 418.A O no hydrogen 2.892 N/A THR 423.A N LYS 419.A O no hydrogen 2.681 N/A THR 423.A OG1 LYS 419.A O no hydrogen 2.693 N/A LEU 424.A N ALA 420.A O no hydrogen 2.946 N/A ALA 425.A N VAL 421.A O no hydrogen 2.939 N/A GLY 426.A N LEU 422.A O no hydrogen 2.987 N/A TYR 427.A N THR 423.A O no hydrogen 3.036 N/A LEU 428.A N LEU 424.A O no hydrogen 2.809 N/A ARG 429.A N ALA 425.A O no hydrogen 2.936 N/A ARG 429.A NE ASP 401.A OD2 no hydrogen 2.922 N/A SER 430.A N GLY 426.A O no hydrogen 3.288 N/A SER 430.A OG GLY 426.A O no hydrogen 2.756 N/A SER 430.A OG TYR 427.A O no hydrogen 3.088 N/A ARG 431.A N LEU 428.A O no hydrogen 3.187 N/A ARG 431.A NH2 GLU 553.A OE2 no hydrogen 2.717 N/A TYR 432.A N LEU 428.A O no hydrogen 3.186 N/A TYR 432.A OH GLN 571.A OE1 no hydrogen 2.536 N/A HIS 435.A NE2 GLU 579.A OE1 no hydrogen 2.550 N/A GLY 436.A N ILE 433.A O no hydrogen 2.910 N/A THR 441.A N ALA 397.A O no hydrogen 2.905 N/A ILE 442.A N HIS 402.A O no hydrogen 2.842 N/A SER 443.A N ARG 395.A O no hydrogen 2.837 N/A LEU 444.A N ILE 404.A O no hydrogen 2.895 N/A ALA 445.A N THR 393.A O no hydrogen 2.841 N/A PHE 446.A N ASP 407.A OD2 no hydrogen 2.998 N/A GLU 447.A N ARG 391.A O no hydrogen 2.885 N/A GLN 448.A NE2 VAL 361.A O no hydrogen 3.368 N/A ASN 449.A N PHE 446.A O no hydrogen 3.125 N/A ASN 449.A ND2 ASP 407.A OD1 no hydrogen 3.077 N/A ASN 449.A ND2 VAL 451.A O no hydrogen 2.841 N/A VAL 451.A N ASN 449.A OD1 no hydrogen 3.416 N/A ILE 453.A N LEU 412.A O no hydrogen 2.803 N/A GLY 455.A N GLU 454.A OE2 no hydrogen 2.846 N/A GLY 459.A N ASP 456.A O no hydrogen 2.964 N/A LEU 460.A N GLY 483.A O no hydrogen 2.912 N/A GLU 462.A N ALA 458.A O no hydrogen 2.878 N/A LEU 463.A N GLY 459.A O no hydrogen 2.999 N/A VAL 464.A N LEU 460.A O no hydrogen 2.895 N/A ALA 465.A N ALA 461.A O no hydrogen 2.952 N/A ALA 466.A N GLU 462.A O no hydrogen 3.051 N/A LEU 467.A N LEU 463.A O no hydrogen 2.876 N/A SER 468.A N VAL 464.A O no hydrogen 2.887 N/A SER 468.A OG LEU 473.A O no hydrogen 2.473 N/A ALA 469.A N ALA 465.A O no hydrogen 3.039 N/A ILE 470.A N ALA 466.A O no hydrogen 2.908 N/A GLY 471.A N LEU 467.A O no hydrogen 2.946 N/A LEU 473.A N SER 468.A O no hydrogen 2.892 N/A LEU 475.A N ALA 370.A O no hydrogen 2.799 N/A ARG 476.A N LEU 559.A O no hydrogen 2.864 N/A ARG 476.A NE ASP 478.A OD1 no hydrogen 2.922 N/A ARG 476.A NH2 ASP 478.A OD1 no hydrogen 3.538 N/A ARG 476.A NH2 ASP 478.A OD2 no hydrogen 3.103 N/A GLN 477.A N GLY 368.A O no hydrogen 2.881 N/A GLN 477.A NE2 GLU 373.A O no hydrogen 2.788 N/A GLN 477.A NE2 LEU 475.A O no hydrogen 2.775 N/A ALA 480.A N GLY 518.A O no hydrogen 3.132 N/A VAL 481.A N ASN 375.A O no hydrogen 2.921 N/A THR 482.A N ILE 520.A O no hydrogen 3.024 N/A THR 482.A OG1 SER 457.A O no hydrogen 3.549 N/A GLY 483.A N SER 457.A O no hydrogen 3.021 N/A ALA 484.A N LEU 492.A O no hydrogen 3.190 N/A ASP 486.A N LYS 490.A O no hydrogen 3.034 N/A THR 488.A N ASP 486.A OD1 no hydrogen 2.862 N/A THR 488.A OG1 ASP 486.A OD1 no hydrogen 2.749 N/A THR 488.A OG1 ASP 486.A OD2 no hydrogen 3.360 N/A GLY 489.A N ASP 486.A O no hydrogen 2.939 N/A LYS 490.A N ASP 486.A OD1 no hydrogen 2.934 N/A VAL 491.A N GLU 550.A O no hydrogen 2.788 N/A LEU 492.A N ALA 484.A O no hydrogen 2.857 N/A VAL 494.A N ASN 525.A OD1 no hydrogen 2.924 N/A ASN 498.A ND2 THR 530.A OG1 no hydrogen 2.596 N/A LYS 500.A N ALA 496.A O no hydrogen 3.098 N/A LYS 500.A NZ SER 457.A OG no hydrogen 3.229 N/A LYS 500.A NZ THR 482.A OG1 no hydrogen 3.061 N/A LYS 500.A NZ GLY 495.A O no hydrogen 3.011 N/A VAL 501.A N ILE 497.A O no hydrogen 3.117 N/A GLU 502.A N ASN 498.A O no hydrogen 3.070 N/A GLY 503.A N ALA 499.A O no hydrogen 2.755 N/A PHE 504.A N LYS 500.A O no hydrogen 3.107 N/A PHE 505.A N VAL 501.A O no hydrogen 2.886 N/A ARG 506.A N GLU 502.A O no hydrogen 2.973 N/A VAL 507.A N GLY 503.A O no hydrogen 3.363 N/A CYS 508.A N PHE 504.A O no hydrogen 2.791 N/A CYS 508.A SG PHE 504.A O no hydrogen 3.485 N/A LYS 509.A N PHE 505.A O no hydrogen 2.831 N/A LYS 509.A NZ GLU 534.A OE2 no hydrogen 2.907 N/A ALA 510.A N ARG 506.A O no hydrogen 2.940 N/A LEU 511.A N VAL 507.A O no hydrogen 3.036 N/A GLY 512.A N LYS 509.A O no hydrogen 3.191 N/A SER 514.A N GLN 517.A OE1 no hydrogen 2.916 N/A SER 514.A OG THR 516.A OG1 no hydrogen 3.186 N/A THR 516.A N SER 514.A OG no hydrogen 3.087 N/A THR 516.A OG1 ASP 478.A OD2 no hydrogen 2.718 N/A THR 516.A OG1 SER 514.A OG no hydrogen 3.186 N/A GLN 517.A NE2 THR 366.A O no hydrogen 2.857 N/A GLY 518.A N ASP 478.A O no hydrogen 3.115 N/A VAL 519.A N HIS 545.A O no hydrogen 3.059 N/A ILE 520.A N ALA 480.A O no hydrogen 2.793 N/A LEU 521.A N TYR 547.A O no hydrogen 2.867 N/A GLU 523.A N VAL 549.A O no hydrogen 2.851 N/A ASN 525.A N PRO 522.A O no hydrogen 2.864 N/A ASN 525.A ND2 VAL 494.A O no hydrogen 2.962 N/A ASN 525.A ND2 ASN 528.A OD1 no hydrogen 3.070 N/A LEU 526.A N GLU 523.A O no hydrogen 3.226 N/A ASN 528.A N ASN 525.A O no hydrogen 2.879 N/A ASN 528.A ND2 GLU 303.A O no hydrogen 2.866 N/A LEU 529.A N LEU 526.A O no hydrogen 3.291 N/A THR 530.A N ASN 498.A OD1 no hydrogen 2.810 N/A ARG 532.A N GLU 502.A OE2 no hydrogen 2.834 N/A ARG 532.A NH1 GLU 343.A OE1 no hydrogen 3.495 N/A ARG 532.A NH1 GLU 343.A OE2 no hydrogen 3.001 N/A ARG 532.A NH2 GLU 343.A OE1 no hydrogen 2.623 N/A ARG 532.A NH2 GLU 343.A OE2 no hydrogen 3.343 N/A LEU 536.A N ARG 532.A O no hydrogen 3.030 N/A GLU 537.A N ALA 533.A O no hydrogen 2.957 N/A ALA 538.A N VAL 535.A O no hydrogen 3.077 N/A VAL 539.A N VAL 535.A O no hydrogen 2.904 N/A ARG 540.A N LEU 536.A O no hydrogen 2.789 N/A ALA 541.A N GLU 537.A O no hydrogen 2.731 N/A GLY 542.A N VAL 539.A O no hydrogen 3.074 N/A GLN 543.A N ALA 538.A O no hydrogen 2.926 N/A HIS 545.A N GLN 517.A O no hydrogen 3.191 N/A HIS 545.A NE2 GLY 515.A O no hydrogen 3.088 N/A TYR 547.A N VAL 519.A O no hydrogen 2.932 N/A ALA 548.A N MET 1.A O no hydrogen 2.946 N/A VAL 549.A N LEU 521.A O no hydrogen 2.972 N/A GLU 550.A N GLN 554.A OE1 no hydrogen 2.747 N/A THR 551.A N GLN 554.A OE1 no hydrogen 3.118 N/A ALA 552.A N GLY 489.A O no hydrogen 2.783 N/A GLN 554.A N THR 551.A OG1 no hydrogen 3.054 N/A ALA 555.A N THR 551.A O no hydrogen 3.296 N/A ALA 555.A N ALA 552.A O no hydrogen 3.024 N/A LEU 556.A N ALA 552.A O no hydrogen 3.059 N/A GLU 557.A N GLU 553.A O no hydrogen 2.892 N/A ILE 558.A N GLN 554.A O no hydrogen 3.271 N/A LEU 559.A N ALA 555.A O no hydrogen 3.057 N/A ALA 560.A N LEU 556.A O no hydrogen 2.831 N/A GLY 561.A N ILE 558.A O no hydrogen 3.415 N/A ALA 562.A N GLU 557.A O no hydrogen 3.079 N/A MET 564.A N GLU 557.A OE2 no hydrogen 2.900 N/A ARG 568.A N GLY 566.A O no hydrogen 3.120 N/A LEU 570.A N ARG 563.A O no hydrogen 2.786 N/A GLN 571.A N MET 564.A O no hydrogen 2.933 N/A GLN 571.A NE2 GLU 553.A OE2 no hydrogen 2.796 N/A ILE 574.A N LEU 570.A O no hydrogen 2.999 N/A ILE 574.A N GLN 571.A O no hydrogen 3.170 N/A ARG 575.A N GLN 571.A O no hydrogen 2.967 N/A ALA 576.A N GLU 572.A O no hydrogen 2.771 N/A GLY 577.A N LYS 573.A O no hydrogen 2.929 N/A LEU 578.A N ILE 574.A O no hydrogen 2.774 N/A GLU 579.A N ARG 575.A O no hydrogen 2.875 N/A ALA 580.A N ALA 576.A O no hydrogen 3.050 N/A PHE 581.A N GLY 577.A O no hydrogen 2.879 N/A ALA 582.A N LEU 578.A O no hydrogen 2.763 N/A ARG 583.A N GLU 579.A O no hydrogen 2.887 N/A LEU 584.A N ALA 580.A O no hydrogen 3.117 N/A GLU 585.A N PHE 581.A O no hydrogen 3.038 N/A GLU 586.A N ARG 583.A O no hydrogen 3.000 N/A