Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3agr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 2.A O no hydrogen 3.213 N/A SER 8.A N GLU 4.A O no hydrogen 3.292 N/A SER 8.A OG LYS 5.A O no hydrogen 2.883 N/A ALA 9.A N LYS 5.A O no hydrogen 3.051 N/A GLY 10.A N HIS 6.A O no hydrogen 3.140 N/A LYS 11.A N ILE 7.A O no hydrogen 2.872 N/A ALA 12.A N SER 8.A O no hydrogen 3.035 N/A ARG 13.A N ALA 9.A O no hydrogen 3.082 N/A LEU 14.A N GLY 10.A O no hydrogen 3.249 N/A GLN 15.A N LYS 11.A O no hydrogen 3.236 N/A ASP 16.A N ALA 12.A O no hydrogen 2.779 N/A LEU 17.A N ARG 13.A O no hydrogen 3.414 N/A ARG 18.A N LEU 14.A O no hydrogen 3.122 N/A ARG 18.A NH1 GLN 15.A OE1 no hydrogen 2.706 N/A ASP 19.A N GLN 15.A O no hydrogen 2.787 N/A ALA 20.A N LEU 17.A O no hydrogen 3.128 N/A GLU 21.A N ARG 18.A O no hydrogen 3.342 N/A ARG 23.A NE ASP 19.A OD1 no hydrogen 3.196 N/A HIS 25.A N SER 52.A O no hydrogen 3.051 N/A ALA 27.A N THR 50.A O no hydrogen 3.052 N/A TRP 28.A N GLN 140.A OE1 no hydrogen 2.901 N/A GLN 29.A N ALA 48.A O no hydrogen 2.932 N/A GLN 29.A NE2 GLY 145.A O no hydrogen 2.809 N/A ILE 31.A N PHE 46.A O no hydrogen 2.997 N/A VAL 32.A N PRO 147.A O no hydrogen 2.832 N/A VAL 33.A N ASN 44.A O no hydrogen 2.978 N/A ILE 34.A N LEU 149.A O no hydrogen 2.840 N/A ASP 35.A N ARG 42.A O no hydrogen 2.940 N/A GLY 36.A N CYS 151.A O no hydrogen 3.078 N/A GLY 37.A N ALA 40.A O no hydrogen 2.822 N/A THR 41.A N PHE 74.A O no hydrogen 2.877 N/A ARG 42.A N ASP 35.A O no hydrogen 3.091 N/A ARG 42.A NE GLY 71.A O no hydrogen 2.753 N/A ARG 42.A NH2 GLY 71.A O no hydrogen 3.209 N/A ASN 44.A N VAL 33.A O no hydrogen 2.926 N/A ASN 44.A ND2 VAL 33.A O no hydrogen 3.439 N/A VAL 45.A N GLY 69.A O no hydrogen 2.958 N/A PHE 46.A N ILE 31.A O no hydrogen 2.883 N/A LEU 47.A N ARG 66.A O no hydrogen 2.941 N/A ALA 48.A N GLN 29.A O no hydrogen 3.060 N/A LYS 49.A N SER 64.A OG no hydrogen 2.763 N/A THR 50.A N ALA 27.A O no hydrogen 2.673 N/A THR 50.A OG1 ALA 27.A O no hydrogen 2.759 N/A ARG 51.A N HIS 59.A O no hydrogen 2.752 N/A SER 52.A N HIS 25.A O no hydrogen 3.082 N/A ARG 58.A NH1 THR 50.A OG1 no hydrogen 3.147 N/A HIS 59.A N ARG 51.A O no hydrogen 2.918 N/A HIS 59.A ND1 ILE 60.A O no hydrogen 3.362 N/A ASP 61.A N LYS 49.A O no hydrogen 3.010 N/A ASP 63.A N ASP 61.A OD1 no hydrogen 3.200 N/A SER 64.A N ASP 61.A O no hydrogen 3.074 N/A SER 64.A OG ASP 61.A O no hydrogen 2.733 N/A ILE 65.A N PRO 62.A O no hydrogen 3.169 N/A ARG 66.A N LEU 47.A O no hydrogen 2.895 N/A LEU 67.A N ARG 558.A O no hydrogen 2.748 N/A LEU 68.A N VAL 45.A O no hydrogen 2.773 N/A GLY 69.A N VAL 45.A O no hydrogen 3.356 N/A GLY 71.A N THR 43.A O no hydrogen 2.791 N/A LYS 72.A N ASP 124.A OD2 no hydrogen 3.044 N/A PHE 74.A N THR 41.A O no hydrogen 3.143 N/A ARG 78.A NH1 GLU 82.A OE1 no hydrogen 3.385 N/A VAL 80.A N GLY 76.A O no hydrogen 3.154 N/A VAL 80.A N LEU 77.A O no hydrogen 3.239 N/A LEU 81.A N LEU 77.A O no hydrogen 3.045 N/A GLU 82.A N ARG 78.A O no hydrogen 2.817 N/A SER 83.A N GLY 79.A O no hydrogen 3.332 N/A SER 83.A OG GLY 79.A O no hydrogen 3.199 N/A TRP 84.A N VAL 80.A O no hydrogen 3.145 N/A TRP 84.A NE1 HIS 106.A O no hydrogen 2.795 N/A LEU 85.A N LEU 81.A O no hydrogen 3.014 N/A ASP 86.A N GLU 82.A O no hydrogen 2.912 N/A ALA 87.A N SER 83.A O no hydrogen 3.192 N/A TYR 88.A N TRP 84.A O no hydrogen 3.130 N/A ALA 89.A N LEU 85.A O no hydrogen 2.818 N/A TRP 93.A NE1 ASP 86.A OD2 no hydrogen 2.628 N/A ARG 96.A N ASP 92.A O no hydrogen 3.002 N/A LEU 103.A N SER 100.A O no hydrogen 3.117 N/A HIS 106.A N LEU 103.A O no hydrogen 2.868 N/A MET 110.A N HIS 106.A O no hydrogen 3.341 N/A GLU 111.A N VAL 107.A O no hydrogen 2.779 N/A ASP 112.A N PRO 108.A O no hydrogen 2.800 N/A SER 113.A N GLU 109.A O no hydrogen 2.835 N/A ALA 114.A N MET 110.A O no hydrogen 2.810 N/A ARG 115.A N GLU 111.A O no hydrogen 2.925 N/A MET 118.A N ALA 114.A O no hydrogen 2.846 N/A GLN 119.A N ARG 115.A O no hydrogen 2.976 N/A LEU 121.A N LEU 117.A O no hydrogen 3.065 N/A GLU 122.A N MET 118.A O no hydrogen 2.977 N/A ASP 123.A N GLN 119.A O no hydrogen 2.956 N/A ASP 124.A N LEU 120.A O no hydrogen 3.061 N/A ALA 125.A N LEU 121.A O no hydrogen 3.030 N/A VAL 126.A N GLU 122.A O no hydrogen 3.054 N/A ARG 127.A N ASP 123.A O no hydrogen 2.859 N/A ARG 127.A NH2 ASP 124.A OD1 no hydrogen 2.665 N/A ILE 128.A N ASP 124.A O no hydrogen 3.115 N/A LEU 129.A N ALA 125.A O no hydrogen 2.816 N/A ASP 130.A N VAL 126.A O no hydrogen 3.086 N/A GLU 131.A N ARG 127.A O no hydrogen 3.058 N/A LYS 132.A N ILE 128.A O no hydrogen 2.851 N/A LYS 132.A NZ LEU 68.A O no hydrogen 3.334 N/A LEU 133.A N LEU 129.A O no hydrogen 2.837 N/A THR 134.A N GLN 137.A OE1 no hydrogen 2.791 N/A GLN 137.A N THR 134.A OG1 no hydrogen 3.217 N/A LYS 138.A N THR 134.A O no hydrogen 2.972 N/A LYS 138.A NZ ASP 130.A OD2 no hydrogen 2.613 N/A GLN 140.A N GLN 137.A O no hydrogen 3.108 N/A VAL 141.A N GLN 137.A O no hydrogen 2.804 N/A GLN 142.A N LYS 138.A O no hydrogen 2.977 N/A GLN 142.A NE2 HIS 182.A O no hydrogen 2.808 N/A ALA 143.A N VAL 139.A O no hydrogen 3.353 N/A MET 144.A N GLN 140.A O no hydrogen 2.961 N/A VAL 146.A N LYS 185.A O no hydrogen 2.871 N/A VAL 148.A N PHE 187.A O no hydrogen 2.941 N/A LEU 149.A N VAL 32.A O no hydrogen 2.770 N/A LEU 150.A N THR 193.A OG1 no hydrogen 3.256 N/A CYS 151.A N ILE 34.A O no hydrogen 3.093 N/A CYS 151.A SG TRP 192.A O no hydrogen 3.950 N/A THR 153.A N GLY 36.A O no hydrogen 2.724 N/A THR 153.A OG1 GLY 36.A O no hydrogen 2.995 N/A ARG 157.A N ALA 154.A O no hydrogen 3.431 N/A ARG 157.A NE ILE 196.A O no hydrogen 3.043 N/A ARG 157.A NH1 ILE 196.A O no hydrogen 3.193 N/A ARG 157.A NH1 GLU 201.A OE1 no hydrogen 3.367 N/A PHE 159.A N VAL 156.A O no hydrogen 3.430 N/A ARG 164.A NE VAL 156.A O no hydrogen 3.514 N/A ALA 166.A N TRP 162.A O no hydrogen 3.054 N/A LEU 167.A N TYR 163.A O no hydrogen 2.994 N/A PHE 168.A N ARG 164.A O no hydrogen 3.357 N/A VAL 169.A N GLU 165.A O no hydrogen 3.315 N/A ILE 170.A N ALA 166.A O no hydrogen 2.991 N/A LEU 171.A N LEU 167.A O no hydrogen 2.665 N/A ARG 172.A N PHE 168.A O no hydrogen 2.911 N/A ARG 172.A NE THR 193.A O no hydrogen 3.042 N/A PHE 173.A N VAL 169.A O no hydrogen 3.184 N/A LEU 174.A N ILE 170.A O no hydrogen 2.935 N/A ILE 175.A N LEU 171.A O no hydrogen 3.022 N/A ASN 176.A N ARG 172.A O no hydrogen 2.875 N/A HIS 177.A N LEU 174.A O no hydrogen 3.305 N/A HIS 177.A ND1 PHE 173.A O no hydrogen 2.938 N/A LYS 179.A N GLU 122.A OE2 no hydrogen 2.833 N/A LYS 179.A NZ ASP 123.A OD1 no hydrogen 3.037 N/A LYS 179.A NZ ASP 123.A OD2 no hydrogen 3.535 N/A HIS 182.A NE2 GLU 122.A OE2 no hydrogen 2.886 N/A TYR 184.A N HIS 182.A ND1 no hydrogen 3.061 N/A TYR 184.A OH ASP 130.A OD2 no hydrogen 2.766 N/A PHE 186.A N TYR 184.A O no hydrogen 3.101 N/A PHE 187.A N VAL 146.A O no hydrogen 3.230 N/A THR 188.A N ASN 176.A OD1 no hydrogen 3.110 N/A THR 188.A OG1 VAL 148.A O no hydrogen 2.586 N/A THR 188.A OG1 THR 193.A OG1 no hydrogen 2.612 N/A THR 193.A N ASN 189.A O no hydrogen 3.135 N/A THR 193.A OG1 THR 188.A OG1 no hydrogen 2.612 N/A ARG 194.A N LEU 150.A O no hydrogen 3.187 N/A ILE 196.A N SER 152.A O no hydrogen 2.999 N/A THR 197.A N GLU 200.A OE1 no hydrogen 3.201 N/A THR 197.A OG1 GLU 430.A OE1 no hydrogen 3.276 N/A THR 197.A OG1 GLU 430.A OE2 no hydrogen 2.636 N/A GLU 200.A N THR 197.A O no hydrogen 2.976 N/A GLU 201.A N THR 197.A O no hydrogen 3.125 N/A GLY 202.A N GLY 198.A O no hydrogen 3.013 N/A LEU 203.A N ALA 199.A O no hydrogen 2.990 N/A TYR 204.A N GLU 200.A O no hydrogen 2.720 N/A TYR 204.A OH HIS 570.A ND1 no hydrogen 2.592 N/A ALA 205.A N GLU 201.A O no hydrogen 3.048 N/A PHE 206.A N GLY 202.A O no hydrogen 2.901 N/A LEU 207.A N LEU 203.A O no hydrogen 2.907 N/A ALA 208.A N TYR 204.A O no hydrogen 2.799 N/A LEU 209.A N ALA 205.A O no hydrogen 2.939 N/A ASN 210.A N PHE 206.A O no hydrogen 3.227 N/A ASN 210.A ND2 PHE 206.A O no hydrogen 2.807 N/A ASN 210.A ND2 VAL 238.A O no hydrogen 3.058 N/A HIS 211.A N LEU 207.A O no hydrogen 3.085 N/A LEU 212.A N ALA 208.A O no hydrogen 3.056 N/A SER 213.A N LEU 209.A O no hydrogen 3.207 N/A SER 213.A OG LEU 209.A O no hydrogen 2.440 N/A SER 213.A OG ASN 210.A O no hydrogen 3.547 N/A GLY 214.A N HIS 211.A O no hydrogen 3.014 N/A ARG 215.A N ASN 210.A O no hydrogen 2.828 N/A ALA 221.A N ARG 234.A O no hydrogen 3.194 N/A ARG 222.A N ARG 234.A O no hydrogen 3.381 N/A ARG 222.A NE ASP 236.A OD1 no hydrogen 3.075 N/A ARG 222.A NH1 ASP 236.A OD1 no hydrogen 3.128 N/A ASP 226.A N MET 230.A O no hydrogen 2.894 N/A TYR 228.A N ASP 226.A OD1 no hydrogen 3.314 N/A GLY 229.A N ASP 226.A O no hydrogen 3.023 N/A MET 230.A N ASP 226.A OD1 no hydrogen 2.729 N/A GLN 232.A N TYR 224.A O no hydrogen 2.941 N/A ARG 234.A N ARG 222.A O no hydrogen 2.952 N/A ARG 234.A NE CYS 233.A O no hydrogen 3.357 N/A VAL 238.A N ASN 210.A OD1 no hydrogen 2.493 N/A GLY 239.A N PRO 451.A O no hydrogen 2.903 N/A VAL 240.A N VAL 251.A O no hydrogen 2.769 N/A VAL 241.A N VAL 453.A O no hydrogen 2.763 N/A GLU 242.A N GLN 249.A O no hydrogen 2.860 N/A VAL 243.A N THR 455.A O no hydrogen 2.997 N/A GLY 244.A N SER 247.A O no hydrogen 2.848 N/A SER 247.A OG GLN 249.A OE1 no hydrogen 3.100 N/A THR 248.A N PHE 289.A O no hydrogen 3.254 N/A THR 248.A OG1 LEU 292.A O no hydrogen 2.652 N/A GLN 249.A N GLU 242.A O no hydrogen 2.793 N/A ILE 250.A N VAL 287.A O no hydrogen 3.086 N/A VAL 251.A N VAL 240.A O no hydrogen 3.003 N/A PHE 252.A N ILE 285.A O no hydrogen 3.088 N/A LEU 254.A N ASP 283.A O no hydrogen 3.016 N/A SER 263.A OG SER 262.A O no hydrogen 2.521 N/A ARG 265.A N SER 434.A O no hydrogen 3.064 N/A ARG 265.A NH1 ALA 431.A O no hydrogen 3.517 N/A ARG 265.A NH2 ALA 431.A O no hydrogen 3.170 N/A VAL 267.A N VAL 284.A O no hydrogen 2.949 N/A ASN 268.A ND2 SER 281.A OG no hydrogen 2.870 N/A ASN 268.A ND2 ASP 283.A OD1 no hydrogen 2.654 N/A LEU 269.A N ALA 282.A O no hydrogen 2.858 N/A GLN 270.A N GLN 270.A OE1 no hydrogen 2.908 N/A GLN 270.A NE2 PRO 276.A O no hydrogen 3.678 N/A GLN 270.A NE2 PHE 279.A O no hydrogen 2.945 N/A GLN 270.A NE2 PRO 280.A O no hydrogen 2.655 N/A HIS 271.A N ASN 268.A OD1 no hydrogen 2.911 N/A GLU 272.A N ASN 268.A O no hydrogen 2.963 N/A ARG 273.A N GLN 270.A O no hydrogen 3.182 N/A ARG 273.A NH2 GLU 577.A OE2 no hydrogen 2.684 N/A PHE 274.A N LEU 269.A O no hydrogen 2.723 N/A LEU 275.A N LEU 269.A O no hydrogen 3.333 N/A ARG 278.A NE GLU 218.A OE1 no hydrogen 3.447 N/A ARG 278.A NE GLU 218.A OE2 no hydrogen 2.826 N/A ARG 278.A NH1 LEU 573.A O no hydrogen 2.800 N/A ARG 278.A NH2 GLU 218.A OE2 no hydrogen 2.792 N/A ARG 278.A NH2 LEU 573.A O no hydrogen 2.999 N/A PHE 279.A N PRO 276.A O no hydrogen 3.260 N/A ALA 282.A N GLN 270.A OE1 no hydrogen 2.781 N/A VAL 284.A N VAL 267.A O no hydrogen 2.821 N/A ILE 285.A N PHE 252.A O no hydrogen 2.916 N/A SER 286.A N SER 434.A OG no hydrogen 3.166 N/A SER 286.A OG ALA 432.A O no hydrogen 2.769 N/A VAL 287.A N ILE 250.A O no hydrogen 2.853 N/A SER 288.A OG GLN 249.A OE1 no hydrogen 2.745 N/A PHE 289.A N THR 248.A O no hydrogen 2.990 N/A LEU 292.A N PHE 289.A O no hydrogen 3.211 N/A VAL 294.A N GLY 244.A O no hydrogen 3.007 N/A ALA 295.A N GLY 245.A O no hydrogen 2.874 N/A SER 296.A OG ALA 246.A O no hydrogen 3.011 N/A SER 296.A OG MET 290.A O no hydrogen 2.439 N/A SER 297.A N GLY 293.A O no hydrogen 3.081 N/A SER 297.A OG GLY 293.A O no hydrogen 2.712 N/A SER 297.A OG VAL 294.A O no hydrogen 3.057 N/A SER 298.A N VAL 294.A O no hydrogen 3.230 N/A GLY 299.A N ALA 295.A O no hydrogen 3.287 N/A LEU 300.A N SER 296.A O no hydrogen 3.115 N/A PHE 301.A N SER 297.A O no hydrogen 2.722 N/A PHE 302.A N SER 298.A O no hydrogen 2.982 N/A LYS 303.A N GLY 299.A O no hydrogen 3.075 N/A LYS 303.A NZ ARG 392.A O no hydrogen 2.723 N/A LYS 303.A NZ ARG 394.A O no hydrogen 2.875 N/A GLU 304.A N LEU 300.A O no hydrogen 2.913 N/A LEU 305.A N PHE 301.A O no hydrogen 2.750 N/A CYS 306.A N PHE 302.A O no hydrogen 3.171 N/A SER 307.A OG LYS 303.A O no hydrogen 3.165 N/A SER 307.A OG GLU 304.A O no hydrogen 3.357 N/A ASN 308.A N LEU 305.A O no hydrogen 2.992 N/A PHE 311.A N ASN 308.A O no hydrogen 2.803 N/A ILE 316.A N HIS 313.A O no hydrogen 3.289 N/A CYS 317.A N GLN 400.A O no hydrogen 2.983 N/A CYS 317.A SG PHE 311.A O no hydrogen 3.968 N/A TYR 318.A N PHE 311.A O no hydrogen 2.757 N/A ASN 319.A N VAL 402.A O no hydrogen 2.984 N/A CYS 321.A N ASN 319.A OD1 no hydrogen 2.665 N/A CYS 321.A SG CYS 410.A O no hydrogen 3.795 N/A ILE 322.A N ASN 319.A O no hydrogen 3.388 N/A ARG 324.A NE SER 492.A O no hydrogen 2.923 N/A ARG 324.A NH1 SER 492.A O no hydrogen 3.413 N/A ARG 327.A NH1 GLN 400.A OE1 no hydrogen 2.628 N/A SER 331.A N ALA 329.A O no hydrogen 3.146 N/A GLY 333.A N SER 331.A OG no hydrogen 3.196 N/A ASP 334.A N LYS 351.A O no hydrogen 3.187 N/A GLU 336.A N VAL 344.A O no hydrogen 2.993 N/A LEU 338.A N THR 342.A O no hydrogen 3.089 N/A THR 342.A N ASP 340.A OD1 no hydrogen 2.880 N/A THR 342.A OG1 ASP 340.A OD1 no hydrogen 2.465 N/A THR 342.A OG1 ASP 340.A OD2 no hydrogen 3.342 N/A VAL 344.A N GLU 336.A O no hydrogen 3.200 N/A ASP 346.A N ASP 334.A O no hydrogen 3.000 N/A ASP 348.A N ASP 346.A OD2 no hydrogen 3.230 N/A ARG 350.A N ASP 348.A OD2 no hydrogen 3.402 N/A ARG 350.A NH1 ASP 86.A OD1 no hydrogen 3.132 N/A ARG 350.A NH1 ASP 86.A OD2 no hydrogen 2.727 N/A ARG 350.A NH2 ASP 86.A OD1 no hydrogen 2.736 N/A LYS 351.A N ASP 348.A O no hydrogen 2.973 N/A LYS 353.A N ALA 332.A O no hydrogen 2.689 N/A LYS 353.A NZ GLY 333.A O no hydrogen 3.450 N/A LYS 353.A NZ ASP 334.A OD1 no hydrogen 3.497 N/A LYS 355.A N ASN 352.A O no hydrogen 3.354 N/A LYS 355.A NZ GLU 94.A OE1 no hydrogen 2.515 N/A ALA 358.A N LEU 354.A O no hydrogen 2.964 N/A THR 359.A N LYS 355.A O no hydrogen 2.945 N/A THR 359.A OG1 LYS 355.A O no hydrogen 2.507 N/A THR 359.A OG1 PRO 356.A O no hydrogen 3.431 N/A TYR 360.A N PRO 356.A O no hydrogen 3.150 N/A CYS 361.A N VAL 357.A O no hydrogen 2.895 N/A CYS 361.A SG VAL 357.A O no hydrogen 3.677 N/A ASN 365.A ND2 TYR 360.A O no hydrogen 3.101 N/A ILE 368.A N ASN 365.A O no hydrogen 3.203 N/A ASN 374.A ND2 ILE 368.A O no hydrogen 3.079 N/A GLN 377.A N MET 373.A O no hydrogen 2.918 N/A GLN 377.A NE2 PRO 424.A O no hydrogen 2.876 N/A GLN 377.A NE2 GLU 437.A OE1 no hydrogen 3.435 N/A CYS 378.A SG ASN 374.A O no hydrogen 3.737 N/A CYS 378.A SG GLU 375.A O no hydrogen 4.016 N/A CYS 378.A SG ILE 383.A O no hydrogen 3.869 N/A ARG 379.A N GLU 375.A O no hydrogen 2.939 N/A ARG 379.A NH1 GLU 375.A OE2 no hydrogen 3.442 N/A VAL 380.A N ILE 376.A O no hydrogen 2.931 N/A ASN 381.A ND2 GLN 377.A O no hydrogen 2.943 N/A ASN 381.A ND2 PHE 423.A O no hydrogen 3.253 N/A LYS 382.A N ARG 379.A O no hydrogen 2.927 N/A ILE 383.A N CYS 378.A O no hydrogen 3.165 N/A THR 386.A N ASP 384.A OD1 no hydrogen 2.951 N/A THR 386.A OG1 ASP 384.A OD1 no hydrogen 2.687 N/A SER 388.A N GLU 391.A OE1 no hydrogen 3.001 N/A ARG 392.A N SER 388.A O no hydrogen 3.037 N/A ARG 392.A NE LYS 387.A O no hydrogen 2.922 N/A ARG 392.A NH1 ALA 358.A O no hydrogen 2.739 N/A ARG 392.A NH2 LYS 387.A O no hydrogen 2.937 N/A LEU 393.A N LEU 389.A O no hydrogen 3.098 N/A ARG 394.A NE ASP 396.A OD2 no hydrogen 3.364 N/A PHE 399.A N GLY 315.A O no hydrogen 2.818 N/A ILE 401.A N GLN 328.A O no hydrogen 2.741 N/A VAL 402.A N CYS 317.A O no hydrogen 2.756 N/A GLY 403.A N PHE 326.A O no hydrogen 2.991 N/A THR 404.A N ASN 319.A O no hydrogen 2.990 N/A ASP 406.A N PRO 320.A O no hydrogen 3.055 N/A THR 409.A OG1 ASP 406.A OD2 no hydrogen 2.608 N/A CYS 410.A N ASP 406.A O no hydrogen 2.958 N/A CYS 410.A SG CYS 521.A O no hydrogen 3.849 N/A GLN 411.A N PHE 407.A O no hydrogen 2.634 N/A ALA 412.A N ASP 408.A O no hydrogen 2.900 N/A GLN 413.A N THR 409.A O no hydrogen 2.813 N/A VAL 414.A N CYS 410.A O no hydrogen 2.883 N/A GLU 415.A N GLN 411.A O no hydrogen 2.875 N/A GLU 416.A N ALA 412.A O no hydrogen 2.888 N/A LEU 417.A N GLN 413.A O no hydrogen 2.713 N/A LEU 418.A N VAL 414.A O no hydrogen 3.073 N/A VAL 419.A N VAL 414.A O no hydrogen 3.078 N/A SER 420.A N GLU 415.A O no hydrogen 3.064 N/A SER 420.A OG GLU 415.A O no hydrogen 3.469 N/A SER 420.A OG GLU 415.A OE2 no hydrogen 2.957 N/A SER 433.A N GLU 430.A O no hydrogen 3.097 N/A SER 433.A OG ASN 428.A O no hydrogen 3.367 N/A SER 434.A N SER 286.A O no hydrogen 2.991 N/A SER 434.A OG ARG 265.A O no hydrogen 2.686 N/A SER 438.A OG GLN 291.A OE1 no hydrogen 3.321 N/A SER 438.A OG VAL 419.A O no hydrogen 3.007 N/A VAL 439.A N SER 438.A OG no hydrogen 2.712 N/A GLN 441.A N SER 438.A O no hydrogen 3.021 N/A VAL 442.A N VAL 439.A O no hydrogen 2.822 N/A PHE 443.A N VAL 439.A O no hydrogen 3.405 N/A LYS 444.A N GLY 440.A O no hydrogen 3.194 N/A PHE 445.A N GLN 441.A O no hydrogen 3.137 N/A ALA 446.A N VAL 442.A O no hydrogen 2.833 N/A SER 447.A OG HIS 539.A O no hydrogen 3.411 N/A THR 448.A OG1 PRO 253.A O no hydrogen 2.900 N/A ALA 449.A N GLN 255.A OE1 no hydrogen 2.927 N/A SER 450.A N THR 448.A OG1 no hydrogen 3.321 N/A SER 450.A OG LEU 237.A O no hydrogen 3.535 N/A MET 452.A N SER 543.A O no hydrogen 3.041 N/A VAL 453.A N GLY 239.A O no hydrogen 2.942 N/A ILE 454.A N SER 545.A O no hydrogen 2.885 N/A THR 455.A N VAL 241.A O no hydrogen 2.614 N/A THR 455.A OG1 VAL 241.A O no hydrogen 2.692 N/A TYR 460.A N GLY 456.A O no hydrogen 2.863 N/A ALA 461.A N GLY 457.A O no hydrogen 3.123 N/A SER 462.A N ALA 458.A O no hydrogen 3.012 N/A SER 462.A OG ALA 458.A O no hydrogen 3.259 N/A SER 462.A OG MET 459.A O no hydrogen 3.139 N/A SER 464.A N TYR 460.A O no hydrogen 2.970 N/A THR 465.A N ALA 461.A O no hydrogen 2.772 N/A THR 465.A OG1 ALA 461.A O no hydrogen 3.324 N/A THR 465.A OG1 SER 462.A O no hydrogen 3.348 N/A MET 466.A N SER 462.A O no hydrogen 3.236 N/A GLN 467.A N ILE 463.A O no hydrogen 2.907 N/A GLY 468.A N SER 464.A O no hydrogen 2.952 N/A LEU 469.A N THR 465.A O no hydrogen 2.942 N/A GLY 470.A N GLN 467.A O no hydrogen 2.998 N/A LEU 471.A N MET 466.A O no hydrogen 3.138 N/A LEU 472.A N MET 466.A O no hydrogen 3.429 N/A LYS 474.A NZ GLN 467.A O no hydrogen 2.624 N/A PHE 476.A N PRO 473.A O no hydrogen 3.327 N/A GLU 481.A N ASP 479.A OD2 no hydrogen 3.274 N/A GLN 482.A N ASP 479.A OD1 no hydrogen 3.366 N/A LEU 483.A N ASP 479.A O no hydrogen 3.017 N/A ILE 484.A N LEU 480.A O no hydrogen 2.828 N/A ALA 485.A N GLU 481.A O no hydrogen 3.180 N/A ALA 486.A N GLN 482.A O no hydrogen 2.923 N/A SER 487.A N LEU 483.A O no hydrogen 2.792 N/A SER 487.A OG LEU 483.A O no hydrogen 2.579 N/A ARG 488.A N ILE 484.A O no hydrogen 2.940 N/A ARG 488.A NH1 ASP 408.A OD1 no hydrogen 3.261 N/A ARG 488.A NH1 ASP 408.A OD2 no hydrogen 2.832 N/A THR 489.A N ALA 485.A O no hydrogen 3.318 N/A THR 489.A OG1 ALA 485.A O no hydrogen 3.315 N/A TYR 490.A N ALA 486.A O no hydrogen 2.982 N/A TYR 490.A OH GLN 511.A OE1 no hydrogen 2.574 N/A CYS 491.A N SER 487.A O no hydrogen 3.112 N/A CYS 491.A SG SER 487.A O no hydrogen 3.194 N/A SER 492.A OG ARG 488.A O no hydrogen 2.686 N/A SER 492.A OG THR 489.A O no hydrogen 3.046 N/A SER 493.A N TYR 490.A O no hydrogen 3.351 N/A SER 493.A OG THR 489.A O no hydrogen 3.272 N/A SER 493.A OG TYR 490.A O no hydrogen 2.714 N/A VAL 495.A N ARG 324.A O no hydrogen 2.891 N/A VAL 496.A N VAL 503.A O no hydrogen 3.000 N/A ASN 497.A ND2 ASP 340.A O no hydrogen 3.138 N/A ASN 498.A ND2 GLN 505.A OE1 no hydrogen 3.566 N/A GLY 499.A N ASN 497.A OD1 no hydrogen 2.970 N/A GLY 501.A N ASN 497.A OD1 no hydrogen 3.370 N/A VAL 503.A N VAL 496.A O no hydrogen 3.031 N/A ILE 504.A N GLN 511.A O no hydrogen 2.906 N/A GLN 505.A N PRO 494.A O no hydrogen 2.921 N/A LEU 506.A N ALA 509.A O no hydrogen 3.016 N/A ASN 508.A ND2 LEU 469.A O no hydrogen 3.308 N/A GLN 511.A N ILE 504.A O no hydrogen 3.302 N/A LEU 513.A N LEU 502.A O no hydrogen 3.180 N/A THR 514.A N ASN 517.A OD1 no hydrogen 2.813 N/A MET 516.A N THR 514.A OG1 no hydrogen 3.038 N/A ASN 517.A N THR 514.A O no hydrogen 3.358 N/A ASN 517.A ND2 LYS 512.A O no hydrogen 2.651 N/A LEU 520.A N ASN 517.A O no hydrogen 3.070 N/A LYS 522.A N ASP 519.A O no hydrogen 2.972 N/A LYS 522.A NZ VAL 294.A O no hydrogen 3.133 N/A LYS 522.A NZ SER 297.A OG no hydrogen 2.749 N/A THR 523.A N LEU 520.A O no hydrogen 3.100 N/A THR 523.A OG1 LEU 520.A O no hydrogen 3.070 N/A ILE 524.A N LEU 520.A O no hydrogen 3.205 N/A ALA 525.A N CYS 521.A O no hydrogen 2.727 N/A LEU 526.A N LYS 522.A O no hydrogen 3.034 N/A THR 527.A N THR 523.A O no hydrogen 2.788 N/A THR 527.A OG1 THR 523.A O no hydrogen 2.957 N/A VAL 528.A N ILE 524.A O no hydrogen 2.874 N/A SER 529.A N ALA 525.A O no hydrogen 2.760 N/A SER 529.A OG GLN 411.A OE1 no hydrogen 3.213 N/A SER 529.A OG GLU 415.A OE1 no hydrogen 3.247 N/A SER 529.A OG ALA 525.A O no hydrogen 3.071 N/A LEU 530.A N LEU 526.A O no hydrogen 3.053 N/A LEU 530.A N THR 527.A O no hydrogen 2.794 N/A LEU 531.A N THR 527.A O no hydrogen 2.854 N/A GLN 532.A N VAL 528.A O no hydrogen 2.995 N/A GLN 532.A NE2 GLN 411.A OE1 no hydrogen 3.470 N/A HIS 533.A N SER 529.A O no hydrogen 3.155 N/A HIS 533.A ND1 SER 529.A O no hydrogen 3.307 N/A MET 534.A N LEU 530.A O no hydrogen 3.228 N/A GLU 535.A N LEU 531.A O no hydrogen 3.108 N/A ALA 536.A N GLN 532.A O no hydrogen 3.068 N/A ALA 536.A N HIS 533.A O no hydrogen 3.301 N/A HIS 539.A N SER 447.A OG no hydrogen 2.908 N/A LYS 540.A NZ GLU 535.A O no hydrogen 3.202 N/A LYS 540.A NZ GLY 537.A O no hydrogen 3.238 N/A SER 542.A N ALA 449.A O no hydrogen 3.032 N/A SER 545.A N MET 452.A O no hydrogen 3.006 N/A GLN 547.A N ILE 454.A O no hydrogen 3.186 N/A GLN 547.A NE2 SER 545.A OG no hydrogen 3.310 N/A THR 549.A OG1 ASP 560.A OD1 no hydrogen 3.324 N/A VAL 550.A N ALA 559.A O no hydrogen 3.102 N/A GLY 552.A N LYS 556.A O no hydrogen 2.717 N/A GLY 555.A N GLY 552.A O no hydrogen 3.002 N/A LYS 556.A N ASP 554.A OD2 no hydrogen 2.866 N/A ARG 558.A N VAL 550.A O no hydrogen 2.927 N/A ARG 558.A NE ILE 65.A O no hydrogen 3.258 N/A ARG 558.A NH2 ILE 65.A O no hydrogen 3.351 N/A LEU 561.A N LYS 548.A O no hydrogen 2.944 N/A HIS 564.A NE2 ASP 35.A OD2 no hydrogen 3.024 N/A ALA 567.A N TRP 563.A O no hydrogen 2.925 N/A ILE 568.A N HIS 564.A O no hydrogen 3.308 N/A LEU 569.A N VAL 565.A O no hydrogen 2.849 N/A HIS 570.A N GLY 566.A O no hydrogen 2.850 N/A HIS 570.A ND1 TYR 204.A OH no hydrogen 2.592 N/A HIS 570.A NE2 ARG 273.A O no hydrogen 2.936 N/A ARG 571.A N ILE 568.A O no hydrogen 3.012 N/A VAL 572.A N ILE 568.A O no hydrogen 2.860 N/A LEU 573.A N LEU 569.A O no hydrogen 3.040 N/A TRP 578.A N PHE 574.A O no hydrogen 2.911 N/A TRP 578.A NE1 TYR 583.A OH no hydrogen 3.222 N/A GLY 579.A N THR 575.A O no hydrogen 2.875 N/A ARG 580.A N GLU 576.A O no hydrogen 3.240 N/A THR 581.A N GLU 577.A O no hydrogen 2.950 N/A ALA 582.A N TRP 578.A O no hydrogen 2.778 N/A TYR 583.A N GLY 579.A O no hydrogen 3.138 N/A TYR 583.A OH GLN 29.A OE1 no hydrogen 2.585 N/A GLU 584.A N GLY 579.A O no hydrogen 3.093 N/A THR 585.A N ARG 580.A O no hydrogen 2.807 N/A THR 585.A OG1 THR 581.A O no hydrogen 3.219 N/A GLY 586.A N THR 581.A O no hydrogen 2.917 N/A THR 588.A OG1 THR 585.A O no hydrogen 3.076 N/A TYR 589.A N THR 585.A O no hydrogen 3.333 N/A ASN 590.A N PHE 587.A O no hydrogen 3.153 N/A ASN 590.A ND2 ASN 176.A OD1 no hydrogen 3.485 N/A MET 591.A N THR 588.A O no hydrogen 3.120 N/A