Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s1r_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 1.A OD2 no hydrogen 3.249 N/A ALA 4.A N ASP 1.A O no hydrogen 3.447 N/A THR 7.A N ASP 10.A OD2 no hydrogen 2.972 N/A ALA 8.A N GLU 617.A OE1 no hydrogen 2.791 N/A ASP 10.A N THR 7.A O no hydrogen 2.763 N/A SER 11.A OG ALA 8.A O no hydrogen 3.196 N/A SER 11.A OG ILE 646.A O no hydrogen 3.211 N/A TRP 12.A N GLU 9.A O no hydrogen 3.214 N/A ALA 13.A N ASP 10.A O no hydrogen 3.226 N/A ILE 15.A N SER 11.A O no hydrogen 3.176 N/A SER 16.A N TRP 12.A O no hydrogen 2.990 N/A SER 16.A OG TRP 12.A O no hydrogen 3.020 N/A SER 16.A OG TYR 714.A OH no hydrogen 2.705 N/A ALA 17.A N ALA 13.A O no hydrogen 2.768 N/A PHE 18.A N VAL 14.A O no hydrogen 3.100 N/A ARG 20.A N PHE 18.A O no hydrogen 2.627 N/A LYS 22.A NZ TYR 601.A OH no hydrogen 2.964 N/A GLY 23.A N PHE 19.A O no hydrogen 2.726 N/A SER 26.A OG ASP 30.A OD2 no hydrogen 3.038 N/A GLN 27.A NE2 LEU 419.A O no hydrogen 2.830 N/A GLN 28.A N VAL 25.A O no hydrogen 3.306 N/A GLN 28.A NE2 LEU 153.A O no hydrogen 3.688 N/A GLN 28.A NE2 LEU 419.A O no hydrogen 3.177 N/A ASP 30.A N SER 26.A O no hydrogen 2.803 N/A SER 31.A N GLN 27.A O no hydrogen 3.260 N/A PHE 32.A N GLN 28.A O no hydrogen 3.064 N/A ASN 33.A N LEU 29.A O no hydrogen 3.026 N/A ASN 33.A ND2 SER 117.A O no hydrogen 3.439 N/A GLN 34.A N ASP 30.A O no hydrogen 3.176 N/A PHE 35.A N SER 31.A O no hydrogen 3.221 N/A VAL 36.A N PHE 32.A O no hydrogen 2.925 N/A ASP 37.A N ASN 33.A O no hydrogen 3.020 N/A TYR 38.A N GLN 34.A O no hydrogen 2.987 N/A THR 39.A N GLN 34.A O no hydrogen 3.105 N/A LEU 40.A N PHE 35.A O no hydrogen 2.723 N/A GLN 41.A NE2 GLN 41.A O no hydrogen 3.318 N/A GLN 41.A NE2 GLY 56.A O no hydrogen 2.734 N/A ASP 42.A N TYR 38.A O no hydrogen 3.486 N/A ILE 43.A N THR 39.A O no hydrogen 3.093 N/A ILE 44.A N LEU 40.A O no hydrogen 3.471 N/A CYS 45.A SG GLN 41.A O no hydrogen 3.394 N/A GLU 46.A N ILE 43.A O no hydrogen 3.295 N/A SER 48.A OG PHE 55.A O no hydrogen 3.480 N/A GLU 52.A N ARG 98.A O no hydrogen 2.872 N/A SER 54.A N LYS 96.A O no hydrogen 3.153 N/A PHE 55.A N SER 48.A OG no hydrogen 2.975 N/A GLY 56.A N ASP 94.A O no hydrogen 2.695 N/A ILE 58.A N GLN 41.A OE1 no hydrogen 2.868 N/A TYR 59.A N PHE 92.A O no hydrogen 2.510 N/A THR 61.A N GLY 90.A O no hydrogen 3.110 N/A THR 61.A OG1 LYS 62.A O no hydrogen 3.005 N/A THR 61.A OG1 GLY 90.A O no hydrogen 3.539 N/A LYS 62.A NZ LYS 118.A O no hydrogen 2.898 N/A VAL 65.A N HIS 73.A O no hydrogen 2.722 N/A THR 72.A OG1 ASN 66.A OD1 no hydrogen 2.726 N/A HIS 73.A N VAL 65.A O no hydrogen 3.319 N/A HIS 73.A NE2 GLU 67.A OE1 no hydrogen 2.767 N/A LEU 75.A N PRO 63.A O no hydrogen 2.942 N/A ALA 80.A N TYR 76.A O no hydrogen 3.090 N/A ARG 81.A N PRO 77.A O no hydrogen 2.862 N/A ARG 81.A NH1 GLU 135.A OE1 no hydrogen 3.409 N/A ARG 81.A NH1 GLU 150.A OE1 no hydrogen 3.072 N/A LEU 82.A N GLN 78.A O no hydrogen 2.897 N/A ARG 83.A N GLU 79.A O no hydrogen 2.803 N/A ARG 83.A NE THR 846.A O no hydrogen 2.943 N/A ARG 83.A NH1 GLU 67.A OE1 no hydrogen 2.869 N/A ARG 83.A NH1 GLU 79.A OE2 no hydrogen 2.824 N/A ARG 83.A NH2 GLU 67.A OE2 no hydrogen 3.149 N/A ARG 83.A NH2 THR 846.A O no hydrogen 2.996 N/A ASN 84.A N ARG 81.A O no hydrogen 3.462 N/A ASN 84.A ND2 ARG 81.A O no hydrogen 3.526 N/A LEU 85.A N ALA 80.A O no hydrogen 2.842 N/A TYR 87.A N ILE 145.A O no hydrogen 2.763 N/A SER 89.A N LEU 111.A O no hydrogen 2.897 N/A SER 89.A OG THR 61.A O no hydrogen 2.640 N/A GLY 90.A N THR 61.A OG1 no hydrogen 2.753 N/A LEU 91.A N GLY 109.A O no hydrogen 3.130 N/A PHE 92.A N TYR 59.A O no hydrogen 2.797 N/A VAL 93.A N VAL 106.A O no hydrogen 2.963 N/A ASP 94.A N LYS 57.A O no hydrogen 3.172 N/A LYS 96.A N SER 54.A O no hydrogen 2.781 N/A LYS 96.A NZ ASP 94.A O no hydrogen 3.223 N/A ARG 98.A N GLU 52.A O no hydrogen 3.007 N/A LYS 105.A NZ VAL 95.A O no hydrogen 3.019 N/A VAL 106.A N VAL 93.A O no hydrogen 2.854 N/A ILE 108.A N LEU 91.A O no hydrogen 3.014 N/A LEU 111.A N SER 89.A O no hydrogen 2.762 N/A ILE 113.A N TYR 87.A O no hydrogen 3.181 N/A LEU 115.A N TYR 143.A O no hydrogen 2.783 N/A SER 117.A N MET 114.A O no hydrogen 3.098 N/A SER 117.A OG MET 114.A O no hydrogen 2.981 N/A LYS 118.A N SER 117.A OG no hydrogen 2.772 N/A LYS 118.A NZ ASP 37.A OD1 no hydrogen 3.309 N/A LYS 118.A NZ ASP 37.A OD2 no hydrogen 2.852 N/A CYS 120.A SG TYR 87.A OH no hydrogen 3.270 N/A TYR 121.A N TYR 87.A OH no hydrogen 3.216 N/A TYR 121.A OH PRO 63.A O no hydrogen 2.555 N/A SER 123.A N CYS 120.A O no hydrogen 3.193 N/A SER 123.A OG CYS 120.A O no hydrogen 2.939 N/A ALA 125.A N LEU 122.A O no hydrogen 3.013 N/A THR 126.A N ASP 129.A OD2 no hydrogen 3.250 N/A LEU 130.A N THR 126.A O no hydrogen 2.883 N/A TYR 131.A N GLU 127.A O no hydrogen 3.225 N/A LYS 132.A N SER 128.A O no hydrogen 3.430 N/A LYS 132.A NZ ASP 129.A OD1 no hydrogen 3.009 N/A LEU 133.A N ASP 129.A O no hydrogen 2.695 N/A LYS 134.A N TYR 131.A O no hydrogen 2.985 N/A GLU 135.A N LEU 130.A O no hydrogen 2.808 N/A CYS 136.A SG THR 686.A OG1 no hydrogen 3.149 N/A ASP 139.A N CYS 136.A O no hydrogen 2.839 N/A GLY 141.A N ASP 139.A OD2 no hydrogen 2.963 N/A GLY 142.A N LEU 115.A O no hydrogen 2.786 N/A TYR 143.A OH ASP 139.A OD1 no hydrogen 2.919 N/A TYR 143.A OH ASP 139.A OD2 no hydrogen 3.077 N/A PHE 144.A N LYS 151.A O no hydrogen 2.827 N/A ILE 146.A N SER 149.A O no hydrogen 2.830 N/A ASN 147.A N THR 86.A OG1 no hydrogen 2.939 N/A GLY 148.A N LEU 85.A O no hydrogen 2.894 N/A SER 149.A N ILE 146.A O no hydrogen 2.769 N/A LYS 151.A N PHE 144.A O no hydrogen 2.755 N/A VAL 152.A N GLN 405.A O no hydrogen 2.761 N/A GLN 156.A N ASP 339.A O no hydrogen 2.800 N/A GLU 157.A N ASN 423.A O no hydrogen 2.919 N/A ARG 158.A N ARG 337.A O no hydrogen 2.905 N/A ARG 158.A NE SER 159.A O no hydrogen 3.519 N/A ARG 158.A NH1 ASP 339.A OD1 no hydrogen 2.765 N/A ALA 160.A N LYS 335.A O no hydrogen 2.789 N/A ASN 162.A N ARG 182.A O no hydrogen 3.104 N/A GLN 165.A N GLU 180.A O no hydrogen 3.216 N/A VAL 166.A N ASP 328.A OD2 no hydrogen 3.267 N/A PHE 167.A N VAL 178.A O no hydrogen 2.870 N/A LYS 168.A NZ HIS 177.A NE2 no hydrogen 3.465 N/A LYS 168.A NZ CYS 320.A O no hydrogen 3.323 N/A LYS 168.A NZ ASP 323.A OD2 no hydrogen 2.961 N/A LYS 169.A N SER 176.A O no hydrogen 2.770 N/A SER 173.A OG ALA 170.A O no hydrogen 3.369 N/A SER 173.A OG ILE 175.A O no hydrogen 2.936 N/A SER 176.A N LEU 199.A O no hydrogen 2.855 N/A SER 176.A OG HIS 177.A ND1 no hydrogen 2.882 N/A VAL 178.A N PHE 167.A O no hydrogen 2.890 N/A ALA 179.A N VAL 197.A O no hydrogen 2.809 N/A GLU 180.A N GLN 165.A O no hydrogen 3.012 N/A ARG 182.A NH1 SER 159.A O no hydrogen 3.329 N/A SER 183.A OG SER 193.A O no hydrogen 2.862 N/A ALA 184.A N ASN 162.A OD1 no hydrogen 2.837 N/A LYS 187.A NZ ASP 468.A OD1 no hydrogen 3.095 N/A ARG 190.A N GLY 188.A O no hydrogen 3.000 N/A SER 193.A N SER 183.A O no hydrogen 3.435 N/A LEU 195.A N ILE 181.A O no hydrogen 3.118 N/A VAL 197.A N ALA 179.A O no hydrogen 3.019 N/A LYS 198.A N LYS 211.A O no hydrogen 2.947 N/A LYS 198.A NZ THR 213.A OG1 no hydrogen 2.853 N/A LEU 199.A N HIS 177.A O no hydrogen 3.077 N/A TYR 200.A N THR 209.A O no hydrogen 2.800 N/A GLY 201.A N PRO 174.A O no hydrogen 3.128 N/A ARG 202.A NE SER 173.A O no hydrogen 2.718 N/A ARG 202.A NH2 LYS 169.A O no hydrogen 2.512 N/A ARG 202.A NH2 ALA 170.A O no hydrogen 2.647 N/A GLY 204.A N ARG 202.A O no hydrogen 2.726 N/A SER 205.A N ARG 202.A O no hydrogen 2.908 N/A ARG 208.A NH1 SER 176.A OG no hydrogen 2.816 N/A ARG 208.A NH1 GLY 201.A O no hydrogen 2.902 N/A THR 209.A OG1 ASP 261.A OD2 no hydrogen 2.673 N/A LYS 211.A N LYS 198.A O no hydrogen 3.095 N/A ALA 212.A N ILE 221.A O no hydrogen 2.752 N/A THR 213.A N GLN 196.A O no hydrogen 2.808 N/A THR 213.A OG1 ASP 220.A OD1 no hydrogen 2.731 N/A ILE 217.A N LEU 214.A O no hydrogen 3.151 N/A ILE 221.A N ALA 212.A O no hydrogen 3.049 N/A ILE 223.A N ILE 210.A O no hydrogen 3.150 N/A ILE 225.A N PRO 222.A O no hydrogen 2.864 N/A ILE 226.A N PRO 222.A O no hydrogen 3.423 N/A PHE 227.A N ILE 223.A O no hydrogen 2.912 N/A ARG 228.A N VAL 224.A O no hydrogen 2.864 N/A ARG 228.A NE ILE 233.A O no hydrogen 2.760 N/A ARG 228.A NH2 ILE 233.A O no hydrogen 3.161 N/A ARG 228.A NH2 ASP 235.A OD2 no hydrogen 2.777 N/A ALA 229.A N ILE 225.A O no hydrogen 3.002 N/A LEU 230.A N PHE 227.A O no hydrogen 2.989 N/A GLY 231.A N ARG 228.A O no hydrogen 3.105 N/A ILE 232.A N PHE 227.A O no hydrogen 2.948 N/A ILE 238.A N PRO 234.A O no hydrogen 3.205 N/A LEU 239.A N ASP 235.A O no hydrogen 3.060 N/A GLU 240.A N GLY 236.A O no hydrogen 2.972 N/A HIS 241.A N ILE 238.A O no hydrogen 3.112 N/A HIS 241.A ND1 GLU 237.A O no hydrogen 2.674 N/A ILE 242.A N LEU 239.A O no hydrogen 2.884 N/A CYS 243.A N LEU 239.A O no hydrogen 2.656 N/A CYS 243.A SG ASP 245.A O no hydrogen 3.125 N/A CYS 243.A SG ASP 248.A O no hydrogen 4.044 N/A TYR 244.A OH HIS 241.A O no hydrogen 2.729 N/A ASP 248.A N ASP 245.A O no hydrogen 3.212 N/A MET 251.A N ASP 248.A OD1 no hydrogen 3.492 N/A LEU 252.A N ASP 248.A O no hydrogen 3.425 N/A GLU 253.A N TRP 249.A O no hydrogen 2.639 N/A MET 254.A N GLN 250.A O no hydrogen 3.239 N/A MET 254.A N MET 251.A O no hydrogen 3.016 N/A LEU 255.A N LEU 252.A O no hydrogen 3.119 N/A LYS 256.A N LEU 252.A O no hydrogen 3.051 N/A LYS 256.A NZ GLU 253.A OE2 no hydrogen 2.996 N/A CYS 258.A N LEU 255.A O no hydrogen 2.950 N/A VAL 259.A N LEU 255.A O no hydrogen 3.122 N/A GLU 260.A N LYS 256.A O no hydrogen 3.239 N/A ASP 261.A N PRO 257.A O no hydrogen 2.760 N/A GLY 262.A N CYS 258.A O no hydrogen 3.273 N/A PHE 263.A N GLU 260.A O no hydrogen 3.290 N/A ILE 265.A N GLY 262.A O no hydrogen 3.392 N/A ARG 268.A NE ALA 229.A O no hydrogen 3.476 N/A THR 270.A N ASP 267.A OD2 no hydrogen 2.836 N/A THR 270.A OG1 ASP 267.A O no hydrogen 3.429 N/A THR 270.A OG1 ASP 267.A OD1 no hydrogen 2.582 N/A THR 270.A OG1 ASP 267.A OD2 no hydrogen 3.284 N/A ALA 271.A N ASP 267.A O no hydrogen 3.154 N/A LEU 272.A N ARG 268.A O no hydrogen 2.841 N/A ASP 273.A N GLU 269.A O no hydrogen 2.953 N/A PHE 274.A N THR 270.A O no hydrogen 3.014 N/A ARG 280.A NE LYS 277.A O no hydrogen 2.956 N/A ARG 280.A NH1 GLY 276.A O no hydrogen 2.859 N/A ILE 281.A N GLU 278.A O no hydrogen 3.116 N/A GLN 282.A N GLU 278.A O no hydrogen 3.470 N/A GLN 282.A NE2 ASP 286.A OD1 no hydrogen 3.189 N/A GLN 282.A NE2 ASP 286.A OD2 no hydrogen 3.268 N/A TYR 283.A N LYS 279.A O no hydrogen 2.926 N/A TYR 283.A OH TYR 216.A O no hydrogen 3.289 N/A ALA 284.A N ARG 280.A O no hydrogen 3.078 N/A LYS 285.A N ILE 281.A O no hydrogen 2.781 N/A ASP 286.A N GLN 282.A O no hydrogen 3.142 N/A ILE 287.A N TYR 283.A O no hydrogen 3.161 N/A LEU 288.A N ALA 284.A O no hydrogen 3.035 N/A GLN 289.A N LYS 285.A O no hydrogen 3.345 N/A LYS 290.A N ASP 286.A O no hydrogen 2.771 N/A GLU 291.A N ILE 287.A O no hydrogen 2.730 N/A PHE 292.A N ILE 287.A O no hydrogen 3.029 N/A HIS 295.A NE2 GLY 502.A O no hydrogen 3.017 N/A LEU 299.A N THR 297.A OG1 no hydrogen 3.424 N/A LYS 306.A NZ LEU 288.A O no hydrogen 3.409 N/A LYS 306.A NZ GLN 289.A O no hydrogen 3.019 N/A LYS 306.A NZ PHE 292.A O no hydrogen 2.885 N/A LYS 306.A NZ LEU 293.A O no hydrogen 3.057 N/A LYS 306.A NZ THR 297.A O no hydrogen 2.817 N/A ALA 307.A N GLU 303.A O no hydrogen 2.951 N/A PHE 308.A N SER 304.A O no hydrogen 3.223 N/A PHE 309.A N ARG 305.A O no hydrogen 3.019 N/A LEU 310.A N LYS 306.A O no hydrogen 3.112 N/A GLY 311.A N ALA 307.A O no hydrogen 2.974 N/A TYR 312.A N PHE 308.A O no hydrogen 2.918 N/A TYR 312.A OH GLU 541.A OE1 no hydrogen 3.076 N/A TYR 312.A OH GLU 541.A OE2 no hydrogen 3.184 N/A MET 313.A N PHE 309.A O no hydrogen 2.820 N/A ILE 314.A N LEU 310.A O no hydrogen 3.001 N/A ASN 315.A N GLY 311.A O no hydrogen 2.774 N/A ARG 316.A N TYR 312.A O no hydrogen 3.057 N/A ARG 316.A NE TYR 312.A OH no hydrogen 2.889 N/A ARG 316.A NH1 VAL 164.A O no hydrogen 3.466 N/A ARG 316.A NH1 ASP 328.A OD2 no hydrogen 3.384 N/A ARG 316.A NH2 VAL 164.A O no hydrogen 3.091 N/A LEU 317.A N MET 313.A O no hydrogen 2.939 N/A LEU 318.A N ILE 314.A O no hydrogen 2.849 N/A LEU 319.A N ASN 315.A O no hydrogen 2.865 N/A CYS 320.A N ARG 316.A O no hydrogen 3.312 N/A CYS 320.A SG LYS 325.A O no hydrogen 3.788 N/A ALA 321.A N LEU 317.A O no hydrogen 3.059 N/A LEU 322.A N LEU 318.A O no hydrogen 2.664 N/A ASP 323.A N CYS 320.A O no hydrogen 2.940 N/A ARG 324.A N LEU 319.A O no hydrogen 2.936 N/A ARG 324.A NE GLN 250.A OE1 no hydrogen 3.476 N/A ARG 324.A NH2 ASP 248.A OD2 no hydrogen 3.070 N/A LYS 325.A N LEU 319.A O no hydrogen 3.089 N/A ASP 328.A N VAL 166.A O no hydrogen 3.008 N/A ASP 331.A N ASP 329.A OD1 no hydrogen 3.143 N/A HIS 332.A NE2 GLU 608.A OE1 no hydrogen 2.999 N/A PHE 333.A N THR 435.A OG1 no hydrogen 3.044 N/A GLY 334.A N HIS 332.A ND1 no hydrogen 2.981 N/A LYS 335.A N HIS 332.A O no hydrogen 3.055 N/A LYS 336.A N PHE 333.A O no hydrogen 2.790 N/A LYS 336.A NZ ARG 330.A O no hydrogen 3.364 N/A ARG 337.A N ARG 158.A O no hydrogen 2.819 N/A ARG 337.A NE ASP 547.A OD1 no hydrogen 3.112 N/A ARG 337.A NH1 GLY 334.A O no hydrogen 2.661 N/A ARG 337.A NH1 LYS 336.A O no hydrogen 2.817 N/A ARG 337.A NH2 GLY 334.A O no hydrogen 3.470 N/A LEU 338.A N GLY 549.A O no hydrogen 2.976 N/A ASP 339.A N GLN 156.A O no hydrogen 2.751 N/A GLY 342.A N SER 31.A OG no hydrogen 2.749 N/A LEU 344.A N LEU 340.A O no hydrogen 3.067 N/A LEU 345.A N ALA 341.A O no hydrogen 2.692 N/A ALA 346.A N GLY 342.A O no hydrogen 2.799 N/A GLN 347.A N PRO 343.A O no hydrogen 2.971 N/A LEU 348.A N LEU 344.A O no hydrogen 3.381 N/A PHE 349.A N LEU 345.A O no hydrogen 2.741 N/A LYS 350.A N ALA 346.A O no hydrogen 2.952 N/A THR 351.A N GLN 347.A O no hydrogen 3.456 N/A THR 351.A OG1 GLN 347.A O no hydrogen 3.221 N/A LEU 352.A N LEU 348.A O no hydrogen 2.921 N/A PHE 353.A N PHE 349.A O no hydrogen 2.960 N/A LYS 354.A N LYS 350.A O no hydrogen 3.083 N/A LYS 354.A NZ ASP 47.A OD1 no hydrogen 2.952 N/A LYS 355.A N THR 351.A O no hydrogen 3.372 N/A LEU 356.A N LEU 352.A O no hydrogen 3.039 N/A THR 357.A N PHE 353.A O no hydrogen 2.891 N/A THR 357.A OG1 PHE 353.A O no hydrogen 2.864 N/A LYS 358.A N LYS 354.A O no hydrogen 2.817 N/A ASP 359.A N LYS 355.A O no hydrogen 2.785 N/A ILE 360.A N LEU 356.A O no hydrogen 2.908 N/A PHE 361.A N THR 357.A O no hydrogen 3.066 N/A ARG 362.A N LYS 358.A O no hydrogen 3.160 N/A TYR 363.A N ASP 359.A O no hydrogen 3.074 N/A MET 364.A N ILE 360.A O no hydrogen 2.980 N/A GLN 365.A N PHE 361.A O no hydrogen 2.828 N/A ARG 366.A N ARG 362.A O no hydrogen 3.315 N/A THR 367.A N MET 364.A O no hydrogen 2.941 N/A THR 367.A OG1 TYR 363.A O no hydrogen 2.706 N/A VAL 368.A N ARG 366.A O no hydrogen 2.714 N/A THR 376.A OG1 ASN 373.A O no hydrogen 2.720 N/A ILE 377.A N ALA 374.A O no hydrogen 3.106 N/A THR 378.A N ALA 374.A O no hydrogen 3.501 N/A SER 379.A N LYS 375.A O no hydrogen 2.966 N/A SER 379.A OG LYS 375.A O no hydrogen 2.689 N/A LEU 381.A N ILE 377.A O no hydrogen 3.085 N/A TYR 383.A N SER 379.A O no hydrogen 2.873 N/A LEU 385.A N LEU 381.A O no hydrogen 3.007 N/A ALA 386.A N LYS 382.A O no hydrogen 2.658 N/A THR 387.A N TYR 383.A O no hydrogen 2.770 N/A THR 387.A OG1 TYR 383.A O no hydrogen 2.734 N/A THR 387.A OG1 ALA 384.A O no hydrogen 3.349 N/A GLY 388.A N ALA 384.A O no hydrogen 2.720 N/A ASN 389.A N THR 387.A OG1 no hydrogen 3.400 N/A ASN 389.A ND2 TYR 383.A OH no hydrogen 2.878 N/A TRP 390.A NE1 LEU 344.A O no hydrogen 2.616 N/A ALA 396.A N LYS 394.A O no hydrogen 2.711 N/A SER 399.A N MET 397.A O no hydrogen 2.700 N/A GLY 402.A N ARG 400.A O no hydrogen 2.772 N/A SER 404.A OG LEU 385.A O no hydrogen 2.454 N/A GLN 405.A N VAL 152.A O no hydrogen 3.072 N/A GLN 405.A NE2 GLY 402.A O no hydrogen 2.942 N/A LEU 407.A N GLU 150.A O no hydrogen 2.780 N/A ASN 408.A N HIS 418.A ND1 no hydrogen 2.852 N/A ARG 409.A NE GLU 150.A OE2 no hydrogen 2.940 N/A ARG 409.A NH1 ASP 139.A OD1 no hydrogen 2.945 N/A ARG 409.A NH2 ASP 139.A OD1 no hydrogen 3.257 N/A ARG 409.A NH2 TYR 143.A OH no hydrogen 2.985 N/A ARG 409.A NH2 GLU 150.A OE1 no hydrogen 2.645 N/A ARG 409.A NH2 GLU 150.A OE2 no hydrogen 3.006 N/A THR 411.A OG1 ALA 680.A O no hydrogen 2.965 N/A TYR 412.A OH PHE 138.A O no hydrogen 2.766 N/A THR 415.A N THR 411.A O no hydrogen 3.393 N/A THR 415.A OG1 ASN 408.A O no hydrogen 2.793 N/A THR 415.A OG1 THR 411.A O no hydrogen 3.180 N/A LEU 416.A N TYR 412.A O no hydrogen 3.381 N/A SER 417.A N SER 413.A O no hydrogen 2.857 N/A SER 417.A OG GLU 444.A OE2 no hydrogen 2.574 N/A HIS 418.A N SER 414.A O no hydrogen 2.871 N/A HIS 418.A NE2 GLN 405.A OE1 no hydrogen 2.793 N/A LEU 419.A N THR 415.A O no hydrogen 2.931 N/A ARG 420.A N SER 417.A O no hydrogen 3.104 N/A ARG 420.A NH1 SER 458.A O no hydrogen 2.614 N/A ARG 420.A NH2 SER 461.A O no hydrogen 2.918 N/A ARG 421.A N HIS 418.A O no hydrogen 3.460 N/A ARG 421.A NE ASN 456.A OD1 no hydrogen 3.154 N/A THR 422.A N LYS 455.A O no hydrogen 2.882 N/A ASN 423.A N ALA 155.A O no hydrogen 2.920 N/A ASN 423.A ND2 GLN 156.A OE1 no hydrogen 3.628 N/A THR 424.A OG1 LEU 453.A O no hydrogen 3.013 N/A ARG 430.A NH1 GLN 449.A O no hydrogen 3.328 N/A ARG 430.A NH1 CYS 451.A O no hydrogen 2.648 N/A ARG 430.A NH2 GLN 449.A O no hydrogen 2.772 N/A HIS 436.A N HIS 433.A O no hydrogen 3.081 N/A TRP 437.A N ASN 434.A O no hydrogen 3.016 N/A TRP 437.A NE1 GLU 645.A OE1 no hydrogen 3.278 N/A LEU 439.A N HIS 436.A O no hydrogen 2.913 N/A VAL 440.A N HIS 436.A O no hydrogen 2.917 N/A CYS 441.A N ASN 456.A O no hydrogen 2.774 N/A CYS 441.A SG GLU 444.A OE1 no hydrogen 3.887 N/A THR 445.A OG1 VAL 454.A O no hydrogen 2.948 N/A CYS 451.A N GLY 448.A O no hydrogen 3.090 N/A GLY 452.A N THR 445.A OG1 no hydrogen 2.716 N/A LEU 453.A N ALA 450.A O no hydrogen 3.093 N/A VAL 454.A N ALA 450.A O no hydrogen 2.973 N/A LYS 455.A N THR 422.A O no hydrogen 2.850 N/A LEU 457.A N ARG 420.A O no hydrogen 2.940 N/A SER 458.A N LEU 439.A O no hydrogen 2.784 N/A SER 458.A OG ILE 651.A O no hydrogen 2.564 N/A LEU 459.A N LEU 652.A O no hydrogen 2.898 N/A SER 461.A N SER 458.A O no hydrogen 3.207 N/A SER 461.A OG LEU 439.A O no hydrogen 3.255 N/A SER 461.A OG SER 458.A O no hydrogen 3.212 N/A CYS 462.A N TYR 552.A O no hydrogen 2.731 N/A CYS 462.A SG MET 460.A O no hydrogen 3.850 N/A SER 464.A N ARG 550.A O no hydrogen 2.621 N/A SER 464.A OG ASP 547.A O no hydrogen 2.735 N/A VAL 465.A N GLU 530.A OE2 no hydrogen 2.724 N/A GLY 466.A N GLU 530.A OE1 no hydrogen 2.913 N/A THR 467.A N THR 546.A O no hydrogen 2.899 N/A THR 467.A OG1 GLU 530.A OE1 no hydrogen 3.390 N/A ILE 473.A N PRO 469.A O no hydrogen 3.045 N/A THR 474.A N MET 470.A O no hydrogen 3.139 N/A THR 474.A OG1 MET 470.A O no hydrogen 3.362 N/A PHE 475.A N PRO 471.A O no hydrogen 2.926 N/A LEU 476.A N ILE 472.A O no hydrogen 2.765 N/A SER 477.A N ILE 473.A O no hydrogen 3.310 N/A GLU 478.A N THR 474.A O no hydrogen 3.142 N/A TRP 479.A N LEU 476.A O no hydrogen 3.211 N/A GLU 482.A N VAL 507.A O no hydrogen 3.068 N/A LEU 484.A N HIS 505.A O no hydrogen 3.385 N/A ASP 486.A N PRO 483.A O no hydrogen 2.985 N/A TYR 487.A N LEU 484.A O no hydrogen 3.154 N/A HIS 490.A N GLU 240.A OE1 no hydrogen 3.461 N/A HIS 490.A ND1 GLU 240.A OE1 no hydrogen 2.808 N/A GLN 491.A N VAL 488.A O no hydrogen 2.933 N/A SER 492.A N VAL 488.A O no hydrogen 3.177 N/A SER 492.A N PRO 489.A O no hydrogen 3.191 N/A SER 492.A OG GLU 482.A OE2 no hydrogen 3.552 N/A THR 496.A N HIS 508.A O no hydrogen 2.934 N/A THR 496.A OG1 HIS 508.A O no hydrogen 3.438 N/A ARG 497.A N LYS 540.A O no hydrogen 2.823 N/A ARG 497.A NH2 GLU 541.A OE2 no hydrogen 2.805 N/A VAL 498.A N GLY 506.A O no hydrogen 3.035 N/A PHE 499.A N LEU 542.A O no hydrogen 2.852 N/A VAL 500.A N VAL 503.A O no hydrogen 2.978 N/A ASN 501.A N ILE 544.A O no hydrogen 2.962 N/A ASN 501.A ND2 THR 546.A OG1 no hydrogen 2.732 N/A VAL 503.A N VAL 500.A O no hydrogen 3.327 N/A TRP 504.A NE1 GLY 506.A O no hydrogen 2.583 N/A HIS 505.A N VAL 498.A O no hydrogen 2.912 N/A VAL 507.A N GLU 482.A O no hydrogen 3.217 N/A HIS 508.A N THR 496.A O no hydrogen 2.810 N/A ARG 513.A N ASN 510.A OD1 no hydrogen 3.147 N/A LEU 514.A N ASN 510.A O no hydrogen 3.503 N/A MET 515.A N PRO 511.A O no hydrogen 2.665 N/A THR 517.A N ARG 513.A O no hydrogen 3.157 N/A THR 517.A OG1 ARG 513.A O no hydrogen 3.365 N/A LEU 518.A N LEU 514.A O no hydrogen 2.833 N/A ARG 519.A N MET 515.A O no hydrogen 2.897 N/A THR 520.A N GLU 516.A O no hydrogen 3.117 N/A THR 520.A OG1 GLU 516.A O no hydrogen 3.062 N/A THR 520.A OG1 THR 517.A O no hydrogen 2.878 N/A LEU 521.A N THR 517.A O no hydrogen 3.225 N/A ARG 522.A N LEU 518.A O no hydrogen 3.207 N/A ARG 522.A NE VAL 531.A O no hydrogen 3.280 N/A ARG 522.A NH1 GLU 600.A OE2 no hydrogen 2.700 N/A ARG 522.A NH1 GLU 606.A OE2 no hydrogen 3.022 N/A ARG 522.A NH2 VAL 531.A O no hydrogen 2.996 N/A ARG 522.A NH2 GLU 606.A OE1 no hydrogen 2.515 N/A ARG 522.A NH2 GLU 606.A OE2 no hydrogen 3.473 N/A ARG 523.A N ARG 519.A O no hydrogen 2.890 N/A ARG 523.A NE GLU 600.A OE2 no hydrogen 2.767 N/A ARG 523.A NH2 GLU 600.A OE1 no hydrogen 3.383 N/A LYS 524.A NZ ASP 526.A OD2 no hydrogen 3.491 N/A GLY 525.A N LEU 521.A O no hydrogen 2.963 N/A ILE 527.A N LEU 521.A O no hydrogen 3.131 N/A GLU 530.A N ASN 528.A OD1 no hydrogen 3.152 N/A VAL 531.A N ASN 528.A O no hydrogen 2.922 N/A SER 532.A N PHE 545.A O no hydrogen 3.069 N/A SER 532.A OG ASP 603.A OD1 no hydrogen 2.891 N/A MET 533.A N GLU 606.A OE1 no hydrogen 2.983 N/A ILE 534.A N LYS 543.A O no hydrogen 2.864 N/A ASP 536.A N GLU 541.A O no hydrogen 2.758 N/A GLU 539.A N ASP 536.A OD1 no hydrogen 3.021 N/A LYS 540.A N ILE 537.A O no hydrogen 3.291 N/A LYS 540.A NZ PRO 493.A O no hydrogen 3.051 N/A GLU 541.A N ASP 536.A O no hydrogen 3.183 N/A LEU 542.A N ARG 497.A O no hydrogen 2.717 N/A LYS 543.A N ILE 534.A O no hydrogen 2.994 N/A LYS 543.A NZ GLU 541.A OE1 no hydrogen 3.050 N/A ILE 544.A N PHE 499.A O no hydrogen 2.846 N/A PHE 545.A N SER 532.A O no hydrogen 2.928 N/A THR 546.A N ASN 501.A OD1 no hydrogen 2.961 N/A THR 546.A OG1 THR 467.A O no hydrogen 2.958 N/A ASP 547.A N ASN 501.A OD1 no hydrogen 3.246 N/A GLY 549.A N SER 464.A O no hydrogen 2.792 N/A ARG 550.A N SER 464.A OG no hydrogen 2.784 N/A ARG 550.A NE ASP 547.A O no hydrogen 2.883 N/A ARG 550.A NE ASP 547.A OD2 no hydrogen 3.255 N/A ARG 550.A NH1 GLU 530.A O no hydrogen 3.002 N/A ARG 550.A NH2 GLU 530.A O no hydrogen 2.892 N/A ARG 550.A NH2 ASP 547.A O no hydrogen 3.131 N/A TYR 552.A N CYS 462.A O no hydrogen 2.717 N/A ARG 553.A N ILE 602.A O no hydrogen 2.986 N/A ARG 553.A NH2 GLU 645.A OE1 no hydrogen 3.426 N/A LEU 555.A N GLU 600.A O no hydrogen 2.961 N/A PHE 556.A N CYS 644.A O no hydrogen 2.813 N/A ILE 557.A N LEU 598.A O no hydrogen 3.025 N/A VAL 558.A N THR 642.A O no hydrogen 3.221 N/A GLU 559.A N GLU 568.A O no hydrogen 3.527 N/A ASP 561.A N HIS 566.A O no hydrogen 3.297 N/A SER 563.A N ASP 561.A O no hydrogen 2.553 N/A HIS 566.A ND1 ASP 561.A O no hydrogen 2.784 N/A LYS 567.A NZ PHE 641.A O no hydrogen 3.292 N/A GLU 568.A N GLU 559.A O no hydrogen 2.977 N/A LYS 570.A N ILE 557.A O no hydrogen 2.760 N/A LYS 570.A NZ GLY 597.A O no hydrogen 3.336 N/A ARG 572.A NE LEU 569.A O no hydrogen 3.066 N/A ARG 572.A NH1 SER 3.A O no hydrogen 3.023 N/A LYS 573.A N ALA 4.A O no hydrogen 2.795 N/A GLY 574.A N GLU 2.A O no hydrogen 2.854 N/A ILE 576.A N ARG 572.A O no hydrogen 3.402 N/A ALA 577.A N LYS 573.A O no hydrogen 2.965 N/A LYS 578.A N GLY 574.A O no hydrogen 3.185 N/A LEU 579.A N HIS 575.A O no hydrogen 2.908 N/A MET 580.A N ILE 576.A O no hydrogen 2.919 N/A ALA 581.A N ALA 577.A O no hydrogen 2.649 N/A THR 582.A N LYS 578.A O no hydrogen 3.005 N/A THR 582.A OG1 LYS 578.A O no hydrogen 3.268 N/A GLU 583.A N LEU 579.A O no hydrogen 3.043 N/A TYR 584.A N MET 580.A O no hydrogen 3.084 N/A GLN 585.A N ALA 581.A O no hydrogen 3.297 N/A TYR 588.A N THR 582.A OG1 no hydrogen 2.959 N/A TYR 588.A OH GLU 596.A OE1 no hydrogen 2.913 N/A THR 589.A N SER 592.A OG no hydrogen 3.051 N/A THR 589.A OG1 GLU 21.A OE1 no hydrogen 3.461 N/A TRP 590.A NE1 TYR 601.A OH no hydrogen 2.706 N/A SER 591.A N GLU 21.A OE1 no hydrogen 2.998 N/A SER 591.A OG GLU 21.A OE1 no hydrogen 2.985 N/A SER 591.A OG GLU 21.A OE2 no hydrogen 2.710 N/A LEU 593.A N THR 589.A O no hydrogen 3.415 N/A LEU 594.A N TRP 590.A O no hydrogen 3.087 N/A ASN 595.A N SER 591.A O no hydrogen 2.858 N/A GLU 596.A N SER 592.A O no hydrogen 2.750 N/A GLY 597.A N LEU 594.A O no hydrogen 2.892 N/A LEU 598.A N LEU 593.A O no hydrogen 2.971 N/A GLU 600.A N LEU 555.A O no hydrogen 2.972 N/A ILE 602.A N ARG 553.A O no hydrogen 2.922 N/A GLU 607.A N ASP 603.A O no hydrogen 2.798 N/A SER 609.A N GLU 606.A O no hydrogen 2.779 N/A SER 609.A OG GLU 606.A O no hydrogen 2.698 N/A ILE 610.A N GLU 607.A O no hydrogen 3.268 N/A LEU 611.A N THR 642.A OG1 no hydrogen 2.812 N/A ALA 613.A N HIS 643.A O no hydrogen 3.142 N/A GLU 620.A N GLU 617.A O no hydrogen 2.449 N/A ALA 629.A N ASP 627.A OD1 no hydrogen 2.936 N/A ARG 631.A NH1 ASP 663.A OD2 no hydrogen 2.708 N/A ARG 631.A NH2 ASP 663.A OD2 no hydrogen 3.269 N/A ARG 633.A NH1 ASP 939.A OD1 no hydrogen 2.655 N/A HIS 637.A N SER 635.A O no hydrogen 2.500 N/A THR 640.A OG1 THR 640.A O no hydrogen 2.659 N/A THR 642.A N LEU 611.A O no hydrogen 2.832 N/A THR 642.A OG1 LEU 611.A O no hydrogen 3.074 N/A THR 642.A OG1 HIS 643.A ND1 no hydrogen 3.113 N/A HIS 643.A N LEU 611.A O no hydrogen 3.219 N/A HIS 643.A ND1 THR 642.A OG1 no hydrogen 3.113 N/A HIS 643.A NE2 GLU 600.A OE1 no hydrogen 2.972 N/A CYS 644.A N PHE 556.A O no hydrogen 3.006 N/A CYS 644.A SG ALA 613.A O no hydrogen 3.324 N/A CYS 644.A SG GLU 645.A O no hydrogen 3.621 N/A GLU 645.A N ALA 613.A O no hydrogen 2.908 N/A MET 650.A N HIS 647.A O no hydrogen 2.797 N/A ILE 651.A N PRO 648.A O no hydrogen 3.325 N/A LEU 652.A N SER 649.A O no hydrogen 3.343 N/A ALA 656.A N GLU 444.A OE1 no hydrogen 3.357 N/A ALA 656.A N GLY 653.A O no hydrogen 2.920 N/A SER 657.A N GLY 653.A O no hydrogen 3.439 N/A ILE 658.A N ALA 655.A O no hydrogen 3.284 N/A ILE 659.A N ALA 656.A O no hydrogen 3.043 N/A PHE 661.A N ALA 934.A O no hydrogen 2.868 N/A ASP 663.A N ASP 663.A OD1 no hydrogen 2.608 N/A HIS 664.A N PHE 661.A O no hydrogen 2.776 N/A ASN 665.A N PRO 662.A O no hydrogen 3.077 N/A ASN 665.A ND2 ASN 670.A OD1 no hydrogen 3.180 N/A ARG 669.A N GLN 666.A O no hydrogen 3.012 N/A ARG 669.A NH1 GLY 875.A O no hydrogen 2.781 N/A ASN 670.A N SER 667.A O no hydrogen 3.345 N/A ASN 670.A ND2 PRO 662.A O no hydrogen 2.774 N/A THR 671.A OG1 ALA 443.A O no hydrogen 2.618 N/A TYR 672.A N PRO 668.A O no hydrogen 2.974 N/A GLN 673.A N ARG 669.A O no hydrogen 3.066 N/A GLN 673.A NE2 GLN 983.A OE1 no hydrogen 3.306 N/A SER 674.A N ASN 670.A O no hydrogen 3.359 N/A SER 674.A N THR 671.A O no hydrogen 3.177 N/A SER 674.A OG ASN 670.A O no hydrogen 2.945 N/A ALA 675.A N THR 671.A O no hydrogen 3.464 N/A MET 676.A N TYR 672.A O no hydrogen 3.024 N/A GLY 677.A N GLN 673.A O no hydrogen 2.987 N/A LYS 678.A N ALA 675.A O no hydrogen 3.415 N/A LYS 678.A NZ SER 417.A OG no hydrogen 3.395 N/A LYS 678.A NZ GLU 444.A OE2 no hydrogen 3.128 N/A LYS 678.A NZ SER 674.A O no hydrogen 3.104 N/A GLN 679.A N MET 676.A O no hydrogen 2.755 N/A MET 681.A N ARG 984.A O no hydrogen 2.927 N/A ASN 687.A ND2 LYS 134.A O no hydrogen 3.149 N/A VAL 690.A N ASN 687.A O no hydrogen 3.022 N/A ARG 691.A NH2 GLU 150.A OE2 no hydrogen 3.140 N/A ALA 696.A N PHE 759.A O no hydrogen 3.007 N/A ILE 698.A N LEU 757.A O no hydrogen 3.101 N/A TYR 700.A N ARG 755.A O no hydrogen 2.884 N/A TYR 700.A OH THR 861.A OG1 no hydrogen 3.023 N/A GLN 703.A N GLY 723.A O no hydrogen 3.209 N/A LEU 706.A N ASN 725.A OD1 no hydrogen 3.242 N/A THR 708.A N GLY 932.A O no hydrogen 2.846 N/A THR 708.A OG1 GLU 931.A OE1 no hydrogen 3.025 N/A THR 708.A OG1 GLY 932.A O no hydrogen 3.491 N/A THR 709.A OG1 SER 657.A O no hydrogen 2.774 N/A MET 712.A N THR 709.A OG1 no hydrogen 3.184 N/A GLU 713.A N ARG 710.A O no hydrogen 3.294 N/A TYR 714.A N ALA 711.A O no hydrogen 3.159 N/A TYR 714.A OH SER 16.A OG no hydrogen 2.705 N/A LEU 715.A N ALA 711.A O no hydrogen 3.299 N/A LYS 716.A NZ GLU 713.A O no hydrogen 3.032 N/A PHE 717.A N MET 712.A O no hydrogen 3.401 N/A ARG 718.A NH2 GLU 931.A OE1 no hydrogen 2.673 N/A GLU 719.A N LYS 716.A O no hydrogen 3.246 N/A LEU 720.A N LYS 716.A O no hydrogen 3.038 N/A GLY 723.A N TYR 981.A OH no hydrogen 2.721 N/A GLN 724.A N TYR 982.A O no hydrogen 2.896 N/A GLN 724.A NE2 TYR 701.A O no hydrogen 2.874 N/A ASN 725.A N GLN 703.A OE1 no hydrogen 3.001 N/A ASN 725.A ND2 LYS 704.A O no hydrogen 2.893 N/A ALA 726.A N GLN 724.A O no hydrogen 3.076 N/A ILE 727.A N ASP 899.A OD2 no hydrogen 2.979 N/A VAL 728.A N GLY 978.A O no hydrogen 2.871 N/A ALA 729.A N LEU 900.A O no hydrogen 3.118 N/A ILE 730.A N PHE 976.A O no hydrogen 3.073 N/A ALA 731.A N ILE 902.A O no hydrogen 2.815 N/A TYR 733.A OH ASP 888.A O no hydrogen 2.713 N/A SER 734.A OG TYR 884.A OH no hydrogen 2.719 N/A ASN 737.A ND2 ALA 731.A O no hydrogen 2.982 N/A ASN 737.A ND2 ILE 901.A O no hydrogen 2.842 N/A GLN 738.A NE2 GLY 735.A O no hydrogen 2.915 N/A ILE 743.A N ILE 901.A O no hydrogen 3.287 N/A MET 744.A N ILE 882.A O no hydrogen 2.908 N/A ASN 745.A N ASP 899.A O no hydrogen 2.688 N/A ASN 745.A ND2 PRO 898.A O no hydrogen 3.025 N/A GLN 746.A N TYR 884.A O no hydrogen 2.861 N/A GLN 746.A NE2 GLN 746.A O no hydrogen 3.112 N/A GLN 746.A NE2 ASP 750.A OD1 no hydrogen 3.013 N/A SER 748.A OG ASP 899.A OD1 no hydrogen 2.497 N/A ILE 749.A N ASN 745.A O no hydrogen 2.962 N/A ASP 750.A N GLN 746.A O no hydrogen 2.821 N/A ARG 751.A N SER 747.A O no hydrogen 3.174 N/A GLY 752.A N ILE 749.A O no hydrogen 2.818 N/A LEU 753.A N SER 748.A O no hydrogen 3.112 N/A PHE 754.A N GLN 724.A OE1 no hydrogen 2.736 N/A ARG 755.A N GLY 752.A O no hydrogen 3.254 N/A ARG 755.A NH2 ILE 749.A O no hydrogen 3.122 N/A SER 756.A N LYS 862.A O no hydrogen 3.099 N/A LEU 757.A N ILE 698.A O no hydrogen 2.712 N/A PHE 758.A N THR 860.A O no hydrogen 2.623 N/A PHE 759.A N ALA 696.A O no hydrogen 2.892 N/A ARG 760.A N VAL 858.A O no hydrogen 3.194 N/A SER 761.A OG ASP 693.A O no hydrogen 3.184 N/A TYR 762.A N VAL 856.A O no hydrogen 2.857 N/A ASP 764.A N VAL 854.A O no hydrogen 2.940 N/A GLN 765.A N ASP 764.A OD1 no hydrogen 2.726 N/A GLU 766.A N LYS 852.A O no hydrogen 2.982 N/A LYS 767.A NZ GLY 770.A O no hydrogen 3.235 N/A THR 774.A OG1 SER 772.A O no hydrogen 3.511 N/A THR 776.A N THR 818.A O no hydrogen 2.830 N/A PHE 777.A N GLU 766.A OE2 no hydrogen 2.678 N/A GLU 778.A N GLY 816.A O no hydrogen 2.621 N/A LYS 779.A NZ ASP 794.A O no hydrogen 3.432 N/A LYS 779.A NZ LEU 796.A O no hydrogen 3.510 N/A ARG 787.A N THR 785.A OG1 no hydrogen 3.096 N/A LYS 789.A N TYR 793.A OH no hydrogen 2.650 N/A LYS 789.A NZ ASP 826.A OD1 no hydrogen 3.127 N/A TYR 793.A OH ASP 826.A OD2 no hydrogen 2.826 N/A LYS 795.A NZ ARG 807.A O no hydrogen 2.781 N/A LYS 795.A NZ ASP 812.A OD2 no hydrogen 2.764 N/A LEU 796.A N TYR 793.A O no hydrogen 2.678 N/A ASP 797.A N LEU 801.A O no hydrogen 3.294 N/A GLY 800.A N ASP 797.A O no hydrogen 2.902 N/A LEU 801.A N ASP 799.A OD1 no hydrogen 3.150 N/A ILE 802.A N ILE 814.A O no hydrogen 3.431 N/A GLY 805.A N VAL 839.A O no hydrogen 2.797 N/A VAL 806.A N ALA 803.A O no hydrogen 3.390 N/A VAL 808.A N GLY 837.A O no hydrogen 2.672 N/A SER 809.A N ASP 812.A OD2 no hydrogen 3.444 N/A ASP 812.A N SER 809.A O no hydrogen 3.033 N/A VAL 813.A N THR 792.A O no hydrogen 2.944 N/A ILE 814.A N THR 829.A O no hydrogen 3.070 N/A GLY 816.A N GLY 800.A O no hydrogen 2.717 N/A LYS 817.A NZ ASP 764.A OD1 no hydrogen 2.764 N/A LYS 817.A NZ GLN 765.A O no hydrogen 2.825 N/A LYS 817.A NZ GLU 775.A OE1 no hydrogen 2.855 N/A LYS 817.A NZ GLU 775.A OE2 no hydrogen 3.529 N/A THR 818.A N THR 776.A O no hydrogen 2.725 N/A THR 818.A OG1 ARG 825.A O no hydrogen 3.239 N/A THR 819.A N ARG 825.A O no hydrogen 2.642 N/A ILE 821.A N SER 823.A O no hydrogen 2.707 N/A LYS 824.A NZ THR 783.A OG1 no hydrogen 3.092 N/A ALA 827.A N LYS 817.A O no hydrogen 2.960 N/A SER 828.A N ASP 826.A OD1 no hydrogen 3.117 N/A SER 828.A OG LYS 817.A O no hydrogen 3.304 N/A SER 828.A OG ASP 826.A OD2 no hydrogen 2.799 N/A THR 829.A N ILE 815.A O no hydrogen 2.977 N/A LEU 831.A N ASP 812.A O no hydrogen 2.986 N/A ARG 832.A N TYR 762.A OH no hydrogen 3.121 N/A SER 833.A OG SER 1013.A O no hydrogen 3.109 N/A THR 834.A OG1 ASP 990.A O no hydrogen 3.385 N/A GLU 835.A N ARG 832.A O no hydrogen 2.752 N/A GLY 837.A N VAL 808.A O no hydrogen 2.786 N/A ILE 838.A N ARG 859.A O no hydrogen 2.822 N/A VAL 839.A N VAL 806.A O no hydrogen 2.817 N/A ASP 840.A N ARG 857.A O no hydrogen 2.771 N/A GLN 841.A N ARG 857.A O no hydrogen 3.293 N/A LEU 843.A N LYS 855.A O no hydrogen 2.982 N/A THR 845.A N PHE 853.A O no hydrogen 3.043 N/A THR 846.A N THR 845.A OG1 no hydrogen 2.779 N/A ASN 847.A N LEU 851.A O no hydrogen 2.975 N/A GLY 850.A N ASN 847.A O no hydrogen 2.787 N/A PHE 853.A N THR 845.A O no hydrogen 3.027 N/A VAL 854.A N ASP 764.A O no hydrogen 2.768 N/A LYS 855.A N LEU 843.A O no hydrogen 3.060 N/A LYS 855.A NZ LEU 82.A O no hydrogen 2.715 N/A VAL 856.A N TYR 762.A O no hydrogen 2.562 N/A ARG 857.A N GLN 841.A O no hydrogen 2.763 N/A ARG 857.A NH1 ASP 840.A OD2 no hydrogen 2.617 N/A ARG 857.A NH2 ARG 691.A O no hydrogen 2.735 N/A VAL 858.A N ARG 760.A O no hydrogen 2.931 N/A ARG 859.A N ILE 838.A O no hydrogen 2.862 N/A ARG 859.A NE ASP 840.A OD1 no hydrogen 3.162 N/A ARG 859.A NH2 ASP 840.A OD1 no hydrogen 3.476 N/A THR 860.A N PHE 758.A O no hydrogen 2.781 N/A THR 860.A OG1 ASN 836.A O no hydrogen 3.380 N/A THR 861.A OG1 TYR 700.A OH no hydrogen 3.023 N/A LYS 862.A N SER 756.A O no hydrogen 2.913 N/A LYS 862.A NZ ASP 991.A OD1 no hydrogen 3.349 N/A LYS 862.A NZ ASP 991.A OD2 no hydrogen 3.052 N/A GLN 865.A N ASP 868.A OD2 no hydrogen 2.945 N/A PHE 870.A N GLY 878.A O no hydrogen 2.985 N/A ALA 871.A N GLN 983.A O no hydrogen 3.000 N/A SER 872.A N GLN 876.A O no hydrogen 3.451 N/A ARG 873.A NE ILE 658.A O no hydrogen 3.231 N/A ARG 873.A NH1 GLU 918.A OE1 no hydrogen 2.783 N/A GLN 876.A NE2 ALA 906.A O no hydrogen 2.726 N/A GLY 878.A N PHE 870.A O no hydrogen 2.988 N/A ILE 880.A N ASP 868.A O no hydrogen 3.206 N/A GLY 881.A N MET 742.A O no hydrogen 2.521 N/A THR 883.A OG1 GLN 746.A OE1 no hydrogen 3.362 N/A TYR 884.A N MET 744.A O no hydrogen 3.108 N/A TYR 884.A OH SER 734.A OG no hydrogen 2.719 N/A ARG 886.A N SER 747.A OG no hydrogen 3.127 N/A MET 889.A N ARG 886.A O no hydrogen 3.185 N/A PHE 891.A N TYR 963.A O no hydrogen 2.839 N/A THR 892.A N ILE 896.A O no hydrogen 2.810 N/A THR 892.A OG1 ILE 896.A O no hydrogen 3.540 N/A GLU 894.A N THR 892.A OG1 no hydrogen 3.374 N/A GLY 895.A N THR 892.A O no hydrogen 2.762 N/A ILE 896.A N THR 892.A OG1 no hydrogen 2.996 N/A ASP 899.A N ILE 727.A O no hydrogen 2.690 N/A LEU 900.A N ILE 727.A O no hydrogen 3.400 N/A ILE 901.A N ILE 743.A O no hydrogen 2.796 N/A ILE 902.A N ALA 729.A O no hydrogen 2.960 N/A ASN 903.A ND2 ASN 737.A O no hydrogen 3.676 N/A ASN 903.A ND2 ASN 737.A OD1 no hydrogen 3.119 N/A HIS 905.A N ASN 903.A OD1 no hydrogen 2.899 N/A ALA 906.A N ASN 903.A O no hydrogen 3.254 N/A MET 911.A N ILE 907.A O no hydrogen 3.030 N/A THR 912.A OG1 ASN 665.A OD1 no hydrogen 2.794 N/A HIS 915.A N THR 912.A O no hydrogen 3.343 N/A ILE 917.A N VAL 913.A O no hydrogen 2.828 N/A GLU 918.A N ALA 914.A O no hydrogen 2.607 N/A CYS 919.A N HIS 915.A O no hydrogen 3.218 N/A CYS 919.A SG PRO 979.A O no hydrogen 3.656 N/A LEU 920.A N LEU 916.A O no hydrogen 3.213 N/A LEU 921.A N ILE 917.A O no hydrogen 2.821 N/A SER 922.A N GLU 918.A O no hydrogen 2.799 N/A SER 922.A OG GLU 918.A O no hydrogen 3.109 N/A LYS 923.A N CYS 919.A O no hydrogen 3.028 N/A LYS 923.A NZ GLY 958.A O no hydrogen 3.232 N/A LYS 923.A NZ GLU 960.A OE1 no hydrogen 2.700 N/A LYS 923.A NZ PHE 977.A O no hydrogen 3.154 N/A VAL 924.A N LEU 920.A O no hydrogen 3.234 N/A ALA 925.A N LEU 921.A O no hydrogen 2.926 N/A ALA 926.A N SER 922.A O no hydrogen 2.798 N/A LEU 927.A N LYS 923.A O no hydrogen 3.117 N/A SER 928.A N VAL 924.A O no hydrogen 2.820 N/A SER 928.A OG VAL 924.A O no hydrogen 2.697 N/A SER 928.A OG ALA 925.A O no hydrogen 3.482 N/A GLY 929.A N ALA 925.A O no hydrogen 2.841 N/A ASN 930.A N ALA 925.A O no hydrogen 3.183 N/A GLY 932.A N LEU 706.A O no hydrogen 2.726 N/A ALA 934.A N THR 708.A O no hydrogen 2.713 N/A SER 935.A N ASP 933.A OD1 no hydrogen 3.200 N/A SER 935.A OG ASP 933.A OD1 no hydrogen 2.529 N/A THR 938.A N PRO 936.A O no hydrogen 2.678 N/A THR 938.A OG1 SER 935.A O no hydrogen 3.254 N/A THR 938.A OG1 PRO 936.A O no hydrogen 3.261 N/A GLY 944.A N THR 941.A OG1 no hydrogen 3.030 N/A ILE 945.A N THR 941.A O no hydrogen 3.122 N/A SER 946.A N VAL 942.A O no hydrogen 2.770 N/A SER 946.A OG VAL 942.A O no hydrogen 3.073 N/A SER 946.A OG SER 956.A O no hydrogen 2.919 N/A LYS 947.A N GLU 943.A O no hydrogen 2.759 N/A LYS 947.A NZ GLU 943.A OE1 no hydrogen 3.343 N/A LEU 948.A N GLY 944.A O no hydrogen 3.328 N/A LEU 949.A N ILE 945.A O no hydrogen 3.020 N/A ARG 950.A N SER 946.A O no hydrogen 3.211 N/A GLU 951.A N LYS 947.A O no hydrogen 3.343 N/A HIS 952.A N LEU 949.A O no hydrogen 2.986 N/A HIS 952.A ND1 LEU 948.A O no hydrogen 3.046 N/A GLY 953.A N ARG 950.A O no hydrogen 2.711 N/A TYR 954.A N LEU 949.A O no hydrogen 3.362 N/A TYR 954.A OH GLU 894.A OE1 no hydrogen 3.159 N/A TYR 954.A OH GLU 894.A OE2 no hydrogen 2.541 N/A SER 956.A OG SER 946.A O no hydrogen 3.322 N/A ARG 957.A NE SER 956.A OG no hydrogen 3.325 N/A ARG 957.A NH1 GLU 943.A OE2 no hydrogen 3.276 N/A ARG 957.A NH2 GLU 943.A OE2 no hydrogen 2.827 N/A GLY 958.A N GLN 955.A O no hydrogen 3.087 N/A GLU 960.A N ILE 975.A O no hydrogen 2.783 N/A TYR 963.A N PHE 891.A O no hydrogen 2.877 N/A ASN 964.A N LYS 969.A O no hydrogen 2.771 N/A GLY 965.A N TYR 733.A OH no hydrogen 3.114 N/A HIS 966.A N ASN 964.A OD1 no hydrogen 2.794 N/A THR 967.A N ASN 964.A OD1 no hydrogen 3.175 N/A GLY 968.A N ASN 964.A O no hydrogen 2.661 N/A LEU 971.A N MET 962.A O no hydrogen 2.852 N/A GLN 974.A NE2 MET 972.A O no hydrogen 3.117 N/A ILE 975.A N GLU 960.A O no hydrogen 2.846 N/A PHE 977.A N GLY 958.A O no hydrogen 3.342 N/A GLY 978.A N VAL 728.A O no hydrogen 3.195 N/A THR 980.A N ALA 726.A O no hydrogen 3.005 N/A THR 980.A OG1 PRO 979.A O no hydrogen 2.855 N/A TYR 981.A N GLU 918.A OE1 no hydrogen 2.973 N/A TYR 981.A OH GLN 703.A O no hydrogen 2.770 N/A TYR 982.A N GLN 724.A O no hydrogen 3.008 N/A GLN 983.A N ALA 871.A O no hydrogen 2.714 N/A ARG 984.A NH2 ASP 868.A OD2 no hydrogen 3.190 N/A LEU 985.A N LYS 869.A O no hydrogen 3.149 N/A ARG 986.A N GLN 679.A O no hydrogen 2.798 N/A ASP 991.A N MET 988.A O no hydrogen 3.001 N/A LYS 992.A N VAL 989.A O no hydrogen 2.699 N/A ILE 993.A N VAL 989.A O no hydrogen 2.939 N/A HIS 994.A NE2 GLY 1016.A O no hydrogen 2.588 N/A ARG 996.A NH1 PRO 1000.A O no hydrogen 2.882 N/A ARG 996.A NH1 ASP 1015.A O no hydrogen 2.958 N/A ARG 996.A NH2 PRO 1000.A O no hydrogen 3.311 N/A GLN 1002.A N GLN 1007.A O no hydrogen 2.789 N/A THR 1005.A OG1 GLN 1002.A OE1 no hydrogen 2.714 N/A ARG 1006.A N GLN 1002.A O no hydrogen 3.212 N/A GLN 1007.A NE2 ASP 1046.A OD2 no hydrogen 3.363 N/A VAL 1009.A N PRO 1000.A O no hydrogen 3.056 N/A ARG 1012.A NE ASP 991.A O no hydrogen 2.708 N/A ARG 1014.A N GLY 1011.A O no hydrogen 3.349 N/A ASP 1015.A N ARG 1012.A O no hydrogen 2.873 N/A GLY 1016.A N GLY 1011.A O no hydrogen 2.958 N/A GLY 1017.A N VAL 1009.A O no hydrogen 2.961 N/A ARG 1025.A N GLY 1021.A O no hydrogen 2.878 N/A ASP 1026.A N GLU 1022.A O no hydrogen 2.728 N/A CYS 1027.A N MET 1023.A O no hydrogen 3.249 N/A CYS 1027.A SG MET 1023.A O no hydrogen 3.520 N/A MET 1028.A N GLU 1024.A O no hydrogen 3.238 N/A ILE 1029.A N ARG 1025.A O no hydrogen 3.001 N/A ALA 1030.A N ASP 1026.A O no hydrogen 2.964 N/A HIS 1031.A N CYS 1027.A O no hydrogen 3.255 N/A GLY 1032.A N MET 1028.A O no hydrogen 3.077 N/A GLY 1032.A N ILE 1029.A O no hydrogen 2.832 N/A ALA 1033.A N MET 1028.A O no hydrogen 3.318 N/A LEU 1037.A N ALA 1033.A O no hydrogen 3.099 N/A LYS 1038.A N ALA 1034.A O no hydrogen 2.934 N/A GLU 1039.A N SER 1035.A O no hydrogen 2.960 N/A ARG 1040.A N PHE 1036.A O no hydrogen 2.746 N/A LEU 1041.A N LEU 1037.A O no hydrogen 3.217 N/A LEU 1041.A N LYS 1038.A O no hydrogen 3.261 N/A MET 1042.A N GLU 1039.A O no hydrogen 3.352 N/A ALA 1044.A N GLU 1039.A O no hydrogen 2.930 N/A ARG 1049.A NE GLN 1083.A OE1 no hydrogen 3.081 N/A ARG 1049.A NH1 ARG 1049.A O no hydrogen 2.974 N/A VAL 1050.A N ILE 1084.A O no hydrogen 3.075 N/A ILE 1052.A N TYR 1082.A O no hydrogen 3.153 N/A CYS 1053.A N LEU 1058.A O no hydrogen 3.461 N/A GLY 1054.A N ASP 1080.A O no hydrogen 2.781 N/A ILE 1062.A N GLU 1071.A O no hydrogen 3.126 N/A LYS 1064.A N GLN 1069.A O no hydrogen 2.811 N/A GLN 1069.A N LYS 1064.A O no hydrogen 3.259 N/A CYS 1072.A N ASN 1077.A O no hydrogen 2.807 N/A CYS 1072.A SG LYS 1073.A O no hydrogen 3.674 N/A ASP 1076.A N CYS 1072.A O no hydrogen 3.226 N/A ASN 1077.A ND2 ASP 1080.A O no hydrogen 2.775 N/A ILE 1079.A N ASN 1077.A OD1 no hydrogen 3.232 N/A ASP 1080.A N ASN 1077.A OD1 no hydrogen 2.846 N/A ILE 1081.A N ILE 1079.A O no hydrogen 2.948 N/A TYR 1082.A N ILE 1052.A O no hydrogen 3.192 N/A TYR 1082.A OH ASP 1080.A OD1 no hydrogen 3.049 N/A ILE 1084.A N VAL 1050.A O no hydrogen 2.926 N/A ILE 1086.A N PHE 1048.A O no hydrogen 2.913 N/A TYR 1088.A N ASP 1046.A OD1 no hydrogen 3.126 N/A ALA 1089.A N ASP 1046.A OD2 no hydrogen 3.039 N/A ALA 1090.A N PRO 1087.A O no hydrogen 3.114 N/A LYS 1091.A N PRO 1087.A O no hydrogen 3.053 N/A LYS 1091.A NZ TYR 1088.A OH no hydrogen 2.911 N/A LYS 1091.A NZ GLN 1095.A OE1 no hydrogen 3.465 N/A LEU 1092.A N TYR 1088.A O no hydrogen 2.671 N/A LEU 1093.A N ALA 1089.A O no hydrogen 3.129 N/A PHE 1094.A N ALA 1090.A O no hydrogen 2.956 N/A GLN 1095.A N LYS 1091.A O no hydrogen 3.105 N/A GLU 1096.A N LEU 1092.A O no hydrogen 3.100 N/A LEU 1097.A N LEU 1093.A O no hydrogen 2.943 N/A MET 1098.A N PHE 1094.A O no hydrogen 3.148 N/A ALA 1099.A N GLN 1095.A O no hydrogen 2.816 N/A MET 1100.A N LEU 1097.A O no hydrogen 3.159 N/A ASN 1101.A N MET 1098.A O no hydrogen 3.145 N/A LEU 1106.A N GLY 1057.A O no hydrogen 3.010 N/A TYR 1107.A OH ILE 1055.A O no hydrogen 3.292 N/A SER 1111.A OG ASP 1109.A OD1 no hydrogen 2.684 N/A