Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qe2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 1.A OE1 no hydrogen 2.584 N/A SER 2.A OG GLU 1.A OE1 no hydrogen 3.459 N/A GLU 6.A N SER 3.A OG no hydrogen 3.272 N/A LYS 7.A N SER 3.A O no hydrogen 3.062 N/A LYS 7.A NZ GLU 286.A O no hydrogen 2.747 N/A MET 8.A N PHE 4.A O no hydrogen 2.888 N/A LYS 9.A N VAL 5.A O no hydrogen 3.048 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.314 N/A LYS 9.A NZ GLU 62.A OE2 no hydrogen 2.630 N/A LYS 10.A N GLU 6.A O no hydrogen 2.985 N/A THR 11.A N LYS 7.A O no hydrogen 2.993 N/A THR 11.A OG1 LYS 7.A O no hydrogen 2.769 N/A THR 11.A OG1 MET 8.A O no hydrogen 3.526 N/A GLY 12.A N LYS 9.A O no hydrogen 3.304 N/A ARG 13.A N MET 8.A O no hydrogen 2.897 N/A ARG 13.A NE THR 11.A O no hydrogen 2.810 N/A ARG 13.A NH1 GLY 44.A O no hydrogen 3.404 N/A ARG 13.A NH2 ASP 284.A OD1 no hydrogen 3.359 N/A ASN 14.A N ARG 43.A O no hydrogen 2.870 N/A ASN 14.A ND2 ASN 65.A O no hydrogen 2.977 N/A ILE 15.A N ARG 43.A O no hydrogen 3.128 N/A ILE 16.A N LEU 67.A O no hydrogen 3.129 N/A VAL 17.A N MET 45.A O no hydrogen 2.922 N/A PHE 18.A N VAL 69.A O no hydrogen 2.908 N/A TYR 19.A N ALA 47.A O no hydrogen 3.173 N/A GLY 20.A N CYS 71.A O no hydrogen 2.866 N/A SER 21.A N ASN 83.A OD1 no hydrogen 3.127 N/A GLN 22.A NE2 TYR 387.A OH no hydrogen 2.822 N/A GLU 28.A N GLY 24.A O no hydrogen 3.059 N/A PHE 29.A N THR 25.A O no hydrogen 3.018 N/A ALA 30.A N ALA 26.A O no hydrogen 2.867 N/A ASN 31.A N GLU 27.A O no hydrogen 2.912 N/A ARG 32.A N GLU 28.A O no hydrogen 2.867 N/A ARG 32.A NH1 GLU 28.A OE1 no hydrogen 3.133 N/A ARG 32.A NH1 GLU 148.A OE1 no hydrogen 3.048 N/A ARG 32.A NH1 GLU 148.A OE2 no hydrogen 3.325 N/A ARG 32.A NH2 GLU 148.A OE2 no hydrogen 2.877 N/A LEU 33.A N PHE 29.A O no hydrogen 2.954 N/A SER 34.A N ALA 30.A O no hydrogen 2.882 N/A LYS 35.A N ASN 31.A O no hydrogen 3.021 N/A ASP 36.A N ARG 32.A O no hydrogen 3.212 N/A ASP 36.A N LEU 33.A O no hydrogen 3.037 N/A ALA 37.A N SER 34.A O no hydrogen 3.272 N/A ARG 39.A N ASP 36.A O no hydrogen 2.950 N/A ARG 39.A NH1 ASP 36.A OD2 no hydrogen 2.537 N/A ARG 39.A NH2 TYR 40.A OH no hydrogen 3.305 N/A TYR 40.A N ALA 37.A O no hydrogen 2.798 N/A GLY 41.A N HIS 38.A O no hydrogen 3.130 N/A MET 42.A N ALA 37.A O no hydrogen 3.139 N/A ARG 43.A N ASN 14.A OD1 no hydrogen 2.997 N/A ARG 43.A NH1 MET 42.A O no hydrogen 2.740 N/A MET 45.A N ILE 15.A O no hydrogen 3.091 N/A SER 46.A OG ASN 31.A OD1 no hydrogen 2.745 N/A ALA 47.A N VAL 17.A O no hydrogen 2.871 N/A GLU 50.A N ASP 48.A OD2 no hydrogen 2.997 N/A GLU 51.A N ASP 48.A O no hydrogen 2.925 N/A TYR 52.A N PRO 49.A O no hydrogen 2.879 N/A ALA 55.A N ASP 53.A OD2 no hydrogen 3.145 N/A ASP 56.A N ASP 53.A O no hydrogen 2.991 N/A LEU 57.A N LEU 54.A O no hydrogen 3.000 N/A SER 58.A OG ALA 55.A O no hydrogen 3.318 N/A SER 59.A N ASP 56.A O no hydrogen 2.939 N/A LEU 60.A N LEU 57.A O no hydrogen 3.041 N/A GLU 62.A N SER 59.A O no hydrogen 2.974 N/A ILE 63.A N LEU 60.A O no hydrogen 2.963 N/A ALA 66.A N ILE 63.A O no hydrogen 3.297 N/A LEU 67.A N ASN 14.A O no hydrogen 2.923 N/A VAL 68.A N LYS 102.A O no hydrogen 3.008 N/A VAL 69.A N ILE 16.A O no hydrogen 2.982 N/A PHE 70.A N ALA 104.A O no hydrogen 2.954 N/A CYS 71.A N PHE 18.A O no hydrogen 2.921 N/A MET 72.A N PHE 106.A O no hydrogen 3.110 N/A ALA 73.A N GLY 20.A O no hydrogen 2.937 N/A THR 74.A N LEU 108.A O no hydrogen 3.130 N/A TYR 75.A N ASP 79.A O no hydrogen 2.901 N/A ASP 79.A N TYR 75.A O no hydrogen 3.050 N/A ASP 79.A N GLY 76.A O no hydrogen 3.194 N/A THR 81.A OG1 ASN 83.A OD1 no hydrogen 2.698 N/A ASN 83.A ND2 TYR 19.A O no hydrogen 2.876 N/A ASN 83.A ND2 ASP 48.A OD2 no hydrogen 2.789 N/A ALA 84.A N THR 81.A O no hydrogen 2.959 N/A GLN 85.A N ASP 82.A O no hydrogen 3.246 N/A TYR 88.A N ALA 84.A O no hydrogen 2.931 N/A ASP 89.A N GLN 85.A O no hydrogen 2.805 N/A TRP 90.A N ASP 86.A O no hydrogen 2.867 N/A LEU 91.A N PHE 87.A O no hydrogen 2.883 N/A GLN 92.A N TYR 88.A O no hydrogen 3.117 N/A GLU 93.A N ASP 89.A O no hydrogen 3.245 N/A GLU 93.A N TRP 90.A O no hydrogen 3.183 N/A THR 94.A N TRP 90.A O no hydrogen 2.855 N/A VAL 96.A N THR 94.A OG1 no hydrogen 3.156 N/A LEU 98.A N LEU 130.A O no hydrogen 2.833 N/A SER 99.A N ASP 97.A OD1 no hydrogen 2.899 N/A SER 99.A OG ASP 97.A OD1 no hydrogen 2.621 N/A SER 99.A OG ASP 97.A OD2 no hydrogen 3.498 N/A VAL 101.A N LEU 98.A O no hydrogen 3.013 N/A LYS 102.A NZ HIS 165.A NE2 no hydrogen 2.785 N/A PHE 103.A N GLN 133.A O no hydrogen 2.964 N/A ALA 104.A N VAL 68.A O no hydrogen 3.194 N/A PHE 106.A N PHE 70.A O no hydrogen 2.814 N/A GLY 107.A N GLY 139.A O no hydrogen 2.738 N/A LEU 108.A N MET 72.A O no hydrogen 2.853 N/A GLY 109.A N GLY 141.A O no hydrogen 3.002 N/A LYS 111.A N ASP 142.A OD1 no hydrogen 2.891 N/A THR 112.A N ASN 110.A OD1 no hydrogen 2.802 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.680 N/A TYR 113.A N ASN 110.A O no hydrogen 3.183 N/A ALA 118.A N HIS 115.A O no hydrogen 3.384 N/A MET 119.A N THR 74.A OG1 no hydrogen 2.898 N/A LYS 121.A N ASN 117.A O no hydrogen 2.974 N/A LYS 121.A NZ PHE 116.A O no hydrogen 3.401 N/A TYR 122.A N ALA 118.A O no hydrogen 2.958 N/A VAL 123.A N MET 119.A O no hydrogen 2.961 N/A ASP 124.A N GLY 120.A O no hydrogen 2.989 N/A LYS 125.A N LYS 121.A O no hydrogen 2.875 N/A ARG 126.A N TYR 122.A O no hydrogen 2.750 N/A ARG 126.A NE LEU 91.A O no hydrogen 2.976 N/A ARG 126.A NH1 GLN 129.A OE1 no hydrogen 2.889 N/A ARG 126.A NH2 LEU 91.A O no hydrogen 2.820 N/A LEU 127.A N VAL 123.A O no hydrogen 2.976 N/A GLU 128.A N ASP 124.A O no hydrogen 3.483 N/A GLN 129.A N LYS 125.A O no hydrogen 3.027 N/A LEU 130.A N ARG 126.A O no hydrogen 2.899 N/A GLY 131.A N GLU 128.A O no hydrogen 2.980 N/A ALA 132.A N LEU 127.A O no hydrogen 2.983 N/A GLN 133.A N VAL 101.A O no hydrogen 2.713 N/A ARG 134.A NE ASP 124.A OD1 no hydrogen 3.414 N/A ARG 134.A NE ASP 124.A OD2 no hydrogen 2.749 N/A ARG 134.A NH1 GLU 128.A OE2 no hydrogen 2.968 N/A ARG 134.A NH2 ASP 124.A O no hydrogen 3.398 N/A ARG 134.A NH2 ASP 124.A OD1 no hydrogen 3.026 N/A ARG 134.A NH2 GLU 128.A OE2 no hydrogen 2.642 N/A ILE 135.A N PHE 103.A O no hydrogen 2.783 N/A GLY 139.A N VAL 105.A O no hydrogen 2.906 N/A GLY 141.A N GLY 107.A O no hydrogen 2.791 N/A ASP 142.A N ASP 150.A OD1 no hydrogen 2.798 N/A ASP 143.A N GLY 109.A O no hydrogen 2.873 N/A ASP 144.A N ASP 142.A OD1 no hydrogen 2.903 N/A GLY 145.A N ASP 142.A O no hydrogen 3.021 N/A GLU 149.A N ASN 146.A OD1 no hydrogen 2.935 N/A ASP 150.A N ASN 146.A O no hydrogen 3.218 N/A PHE 151.A N LEU 147.A O no hydrogen 2.836 N/A ILE 152.A N GLU 148.A O no hydrogen 2.889 N/A THR 153.A N GLU 149.A O no hydrogen 3.096 N/A THR 153.A OG1 GLU 149.A O no hydrogen 2.893 N/A TRP 154.A N ASP 150.A O no hydrogen 3.089 N/A TRP 154.A NE1 GLU 137.A O no hydrogen 2.961 N/A ARG 155.A N PHE 151.A O no hydrogen 2.786 N/A ARG 155.A NE ASP 36.A OD1 no hydrogen 2.668 N/A ARG 155.A NH1 ASP 36.A OD2 no hydrogen 3.019 N/A GLU 156.A N ILE 152.A O no hydrogen 3.104 N/A GLN 157.A N THR 153.A O no hydrogen 3.340 N/A GLN 157.A NE2 GLU 156.A OE2 no hydrogen 3.321 N/A PHE 158.A N TRP 154.A O no hydrogen 2.755 N/A TRP 159.A N ARG 155.A O no hydrogen 3.105 N/A TRP 159.A NE1 ASP 36.A OD1 no hydrogen 3.024 N/A LEU 160.A N GLU 156.A O no hydrogen 3.268 N/A ALA 161.A N GLN 157.A O no hydrogen 3.013 N/A VAL 162.A N PHE 158.A O no hydrogen 2.897 N/A CYS 163.A N TRP 159.A O no hydrogen 2.891 N/A CYS 163.A SG TRP 159.A O no hydrogen 3.349 N/A GLU 164.A N LEU 160.A O no hydrogen 2.994 N/A HIS 165.A N ALA 161.A O no hydrogen 2.947 N/A PHE 166.A N VAL 162.A O no hydrogen 2.921 N/A VAL 168.A N CYS 163.A O no hydrogen 3.236 N/A THR 171.A N ARG 39.A O no hydrogen 2.701 N/A THR 171.A OG1 ARG 39.A O no hydrogen 3.319 N/A SER 173.A OG GLU 320.A OE2 no hydrogen 2.662 N/A SER 173.A OG GLN 323.A OE1 no hydrogen 3.041 N/A ARG 175.A NE GLU 378.A OE2 no hydrogen 2.678 N/A ARG 175.A NH1 ASP 374.A OD2 no hydrogen 3.146 N/A ARG 175.A NH2 ASP 374.A OD2 no hydrogen 3.016 N/A ARG 175.A NH2 GLU 378.A OE2 no hydrogen 3.265 N/A GLN 176.A N GLU 378.A OE1 no hydrogen 2.764 N/A GLN 176.A NE2 GLN 176.A O no hydrogen 3.408 N/A TYR 177.A N GLU 378.A OE2 no hydrogen 3.285 N/A GLU 178.A N ASN 281.A O no hydrogen 2.861 N/A VAL 180.A N SER 279.A O no hydrogen 2.941 N/A HIS 182.A N VAL 277.A O no hydrogen 2.947 N/A LYS 189.A N ASP 186.A O no hydrogen 2.946 N/A VAL 190.A N ALA 187.A O no hydrogen 3.454 N/A TYR 191.A N PRO 296.A O no hydrogen 2.986 N/A TYR 191.A OH GLY 196.A O no hydrogen 2.673 N/A MET 192.A N GLU 194.A OE1 no hydrogen 2.730 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.814 N/A LYS 199.A N GLU 194.A OE2 no hydrogen 2.674 N/A SER 200.A N ARG 197.A O no hydrogen 3.058 N/A SER 200.A OG MET 195.A O no hydrogen 3.119 N/A SER 200.A OG ARG 197.A O no hydrogen 2.503 N/A ASN 203.A N LYS 199.A O no hydrogen 2.699 N/A GLN 204.A NE2 SER 200.A O no hydrogen 2.895 N/A GLN 204.A NE2 PRO 213.A O no hydrogen 3.254 N/A ASP 209.A N ASN 212.A O no hydrogen 2.983 N/A ASN 212.A N ASP 209.A O no hydrogen 2.993 N/A ASN 212.A N ASP 209.A OD2 no hydrogen 2.869 N/A PHE 214.A N MET 438.A O no hydrogen 2.772 N/A LEU 215.A N GLN 204.A OE1 no hydrogen 2.830 N/A ALA 216.A N VAL 436.A O no hydrogen 2.873 N/A VAL 218.A N ALA 434.A O no hydrogen 2.905 N/A THR 219.A N GLU 236.A O no hydrogen 2.954 N/A THR 219.A OG1 GLU 236.A O no hydrogen 3.108 N/A THR 220.A OG1 GLU 236.A OE2 no hydrogen 3.348 N/A ASN 221.A ND2 LEU 426.A O no hydrogen 3.045 N/A ASN 221.A ND2 ARG 427.A O no hydrogen 3.395 N/A ASN 221.A ND2 LYS 429.A O no hydrogen 2.863 N/A ARG 222.A N HIS 234.A O no hydrogen 2.885 N/A LYS 223.A NZ ASN 225.A OD1 no hydrogen 3.148 N/A LYS 223.A NZ GLY 227.A O no hydrogen 2.954 N/A LYS 223.A NZ ARG 230.A O no hydrogen 3.407 N/A LYS 223.A NZ HIS 231.A ND1 no hydrogen 3.480 N/A LEU 224.A N LEU 232.A O no hydrogen 2.766 N/A ASN 225.A ND2 ARG 230.A O no hydrogen 2.713 N/A GLN 226.A N GLU 498.A O no hydrogen 3.129 N/A LEU 232.A N ASN 225.A OD1 no hydrogen 3.004 N/A MET 233.A N ALA 405.A O no hydrogen 2.838 N/A HIS 234.A N ARG 222.A O no hydrogen 2.812 N/A LEU 235.A N ILE 403.A O no hydrogen 2.910 N/A GLU 236.A N THR 220.A O no hydrogen 2.980 N/A LEU 237.A N VAL 401.A O no hydrogen 2.860 N/A ASP 238.A N ALA 217.A O no hydrogen 2.855 N/A ILE 239.A N ASN 399.A O no hydrogen 2.985 N/A SER 240.A N ASP 238.A OD1 no hydrogen 2.864 N/A SER 240.A OG ASP 238.A OD1 no hydrogen 2.645 N/A SER 242.A N ILE 239.A O no hydrogen 3.144 N/A SER 242.A OG ILE 239.A O no hydrogen 2.617 N/A ILE 244.A N SER 242.A OG no hydrogen 3.095 N/A TYR 246.A OH SER 392.A OG no hydrogen 2.963 N/A TYR 246.A OH HIS 397.A O no hydrogen 2.758 N/A TYR 246.A OH SER 400.A O no hydrogen 2.720 N/A GLU 247.A N ASP 250.A OD2 no hydrogen 2.845 N/A SER 248.A OG SER 392.A O no hydrogen 3.139 N/A ASP 250.A N GLU 247.A O no hydrogen 2.961 N/A HIS 251.A N ARG 441.A O no hydrogen 3.058 N/A VAL 252.A N TYR 388.A O no hydrogen 2.829 N/A ALA 253.A N PHE 439.A O no hydrogen 2.879 N/A VAL 254.A N ARG 386.A O no hydrogen 2.965 N/A TYR 255.A N PRO 437.A O no hydrogen 2.936 N/A TYR 255.A OH ALA 210.A O no hydrogen 2.727 N/A ASN 258.A N THR 304.A O no hydrogen 2.794 N/A ASN 258.A ND2 LEU 303.A O no hydrogen 2.821 N/A ASN 258.A ND2 LEU 307.A O no hydrogen 2.941 N/A ALA 261.A N ASP 259.A OD1 no hydrogen 2.765 N/A VAL 263.A N ASP 259.A O no hydrogen 3.080 N/A ASN 264.A N SER 260.A O no hydrogen 2.914 N/A GLN 265.A N ALA 261.A O no hydrogen 3.119 N/A GLN 265.A NE2 ALA 261.A O no hydrogen 3.555 N/A LEU 266.A N LEU 262.A O no hydrogen 3.069 N/A GLY 267.A N VAL 263.A O no hydrogen 2.944 N/A LYS 268.A N ASN 264.A O no hydrogen 2.998 N/A ILE 269.A N GLN 265.A O no hydrogen 2.999 N/A LEU 270.A N LEU 266.A O no hydrogen 3.024 N/A GLY 271.A N LYS 268.A O no hydrogen 2.942 N/A ALA 272.A N GLY 267.A O no hydrogen 2.972 N/A ASP 275.A N ASP 273.A OD2 no hydrogen 2.994 N/A VAL 276.A N ASP 273.A O no hydrogen 3.216 N/A MET 278.A N THR 297.A O no hydrogen 2.928 N/A SER 279.A N VAL 180.A O no hydrogen 2.836 N/A SER 279.A OG ASN 281.A OD1 no hydrogen 2.664 N/A ASN 281.A N GLU 178.A O no hydrogen 2.909 N/A ASN 282.A N LYS 290.A O no hydrogen 2.885 N/A LEU 283.A N GLN 176.A O no hydrogen 2.827 N/A GLU 285.A N GLU 285.A OE1 no hydrogen 2.576 N/A GLU 286.A N ASP 284.A OD2 no hydrogen 3.076 N/A SER 287.A N ASP 284.A O no hydrogen 3.078 N/A SER 287.A OG ASN 282.A OD1 no hydrogen 3.484 N/A LYS 289.A N SER 287.A OG no hydrogen 3.114 N/A LYS 289.A NZ GLU 27.A OE1 no hydrogen 3.138 N/A CYS 295.A SG PHE 293.A O no hydrogen 3.421 N/A THR 297.A N MET 278.A O no hydrogen 2.998 N/A THR 297.A OG1 TYR 191.A O no hydrogen 2.989 N/A SER 298.A OG THR 301.A OG1 no hydrogen 3.076 N/A TYR 299.A N VAL 276.A O no hydrogen 3.224 N/A ARG 300.A N LEU 274.A O no hydrogen 2.834 N/A ARG 300.A NE ASP 275.A OD2 no hydrogen 2.817 N/A ARG 300.A NH1 ASN 264.A OD1 no hydrogen 2.812 N/A ARG 300.A NH2 ASP 275.A OD1 no hydrogen 3.430 N/A ARG 300.A NH2 ASP 275.A OD2 no hydrogen 3.370 N/A THR 301.A N SER 298.A OG no hydrogen 3.049 N/A THR 301.A OG1 SER 298.A OG no hydrogen 3.076 N/A ALA 302.A N SER 298.A O no hydrogen 2.981 N/A LEU 303.A N TYR 299.A O no hydrogen 2.900 N/A THR 304.A N ARG 300.A O no hydrogen 2.904 N/A THR 304.A N THR 301.A O no hydrogen 3.194 N/A THR 304.A OG1 ARG 300.A O no hydrogen 2.726 N/A TYR 305.A N THR 301.A O no hydrogen 2.834 N/A TYR 306.A N ALA 302.A O no hydrogen 2.929 N/A TYR 306.A OH GLU 194.A O no hydrogen 2.733 N/A LEU 307.A N ALA 302.A O no hydrogen 2.897 N/A ASP 308.A N PRO 381.A O no hydrogen 2.864 N/A THR 310.A N ASP 308.A OD2 no hydrogen 3.025 N/A THR 310.A OG1 ASP 308.A OD2 no hydrogen 3.435 N/A ASN 311.A N ASP 308.A OD2 no hydrogen 2.882 N/A ARG 314.A NE GLU 28.A OE1 no hydrogen 2.640 N/A ARG 314.A NE GLU 28.A OE2 no hydrogen 3.222 N/A ARG 314.A NH2 GLU 28.A OE2 no hydrogen 2.733 N/A THR 315.A N GLU 148.A OE2 no hydrogen 3.028 N/A THR 315.A OG1 GLU 148.A OE2 no hydrogen 2.541 N/A VAL 317.A N ARG 314.A O no hydrogen 3.169 N/A TYR 319.A N THR 315.A O no hydrogen 2.952 N/A GLU 320.A N ASN 316.A O no hydrogen 3.019 N/A LEU 321.A N VAL 317.A O no hydrogen 2.979 N/A ALA 322.A N LEU 318.A O no hydrogen 3.115 N/A TYR 324.A N LEU 321.A O no hydrogen 2.783 N/A TYR 324.A OH HIS 375.A ND1 no hydrogen 2.703 N/A ALA 325.A N ALA 322.A O no hydrogen 3.114 N/A SER 326.A N SER 368.A O no hydrogen 3.313 N/A GLU 327.A N SER 368.A OG no hydrogen 2.975 N/A GLN 331.A N GLU 327.A O no hydrogen 2.855 N/A GLU 332.A N PRO 328.A O no hydrogen 2.963 N/A LEU 333.A N SER 329.A O no hydrogen 3.111 N/A LEU 334.A N GLU 330.A O no hydrogen 3.158 N/A ARG 335.A N GLN 331.A O no hydrogen 3.117 N/A LYS 336.A N GLU 332.A O no hydrogen 3.074 N/A LYS 336.A NZ GLU 343.A OE1 no hydrogen 3.053 N/A MET 337.A N LEU 334.A O no hydrogen 3.310 N/A ALA 338.A N ARG 335.A O no hydrogen 3.404 N/A SER 339.A N LYS 336.A O no hydrogen 3.045 N/A SER 339.A OG LYS 336.A O no hydrogen 2.811 N/A SER 340.A OG GLU 156.A OE1 no hydrogen 2.902 N/A GLU 346.A N GLY 342.A O no hydrogen 3.158 N/A LEU 347.A N GLU 343.A O no hydrogen 2.874 N/A TYR 348.A N GLY 344.A O no hydrogen 3.055 N/A TYR 348.A OH PRO 313.A O no hydrogen 2.792 N/A LEU 349.A N LYS 345.A O no hydrogen 2.958 N/A SER 350.A N GLU 346.A O no hydrogen 2.985 N/A TRP 351.A N LEU 347.A O no hydrogen 2.663 N/A VAL 352.A N TYR 348.A O no hydrogen 3.020 N/A VAL 353.A N TYR 348.A O no hydrogen 3.142 N/A GLU 354.A N LEU 349.A O no hydrogen 2.766 N/A ALA 355.A N SER 350.A O no hydrogen 3.112 N/A ARG 356.A N VAL 353.A O no hydrogen 2.994 N/A ARG 356.A NH2 VAL 353.A O no hydrogen 2.735 N/A ARG 357.A N VAL 352.A O no hydrogen 2.942 N/A ARG 357.A NE ASP 365.A OD1 no hydrogen 2.751 N/A ARG 357.A NH1 TRP 351.A O no hydrogen 2.834 N/A ARG 357.A NH2 ASP 365.A OD1 no hydrogen 2.931 N/A ILE 362.A N HIS 358.A O no hydrogen 3.028 N/A LEU 363.A N ILE 359.A O no hydrogen 2.910 N/A GLN 364.A N LEU 360.A O no hydrogen 2.814 N/A ASP 365.A N ALA 361.A O no hydrogen 2.889 N/A SER 368.A N GLU 330.A OE1 no hydrogen 2.904 N/A SER 368.A OG GLU 330.A OE1 no hydrogen 2.614 N/A LEU 369.A N CYS 366.A O no hydrogen 2.817 N/A ARG 370.A N TYR 324.A O no hydrogen 3.057 N/A ARG 370.A NH1 LEU 363.A O no hydrogen 3.115 N/A ARG 370.A NH1 LEU 369.A O no hydrogen 2.853 N/A HIS 375.A N PRO 372.A O no hydrogen 3.128 N/A HIS 375.A ND1 TYR 324.A OH no hydrogen 2.703 N/A LEU 376.A N PRO 372.A O no hydrogen 3.192 N/A CYS 377.A N ILE 373.A O no hydrogen 2.932 N/A CYS 377.A SG ILE 373.A O no hydrogen 3.375 N/A GLU 378.A N ASP 374.A O no hydrogen 3.269 N/A GLU 378.A N HIS 375.A O no hydrogen 2.907 N/A LEU 379.A N HIS 375.A O no hydrogen 2.973 N/A LEU 380.A N LEU 376.A O no hydrogen 2.962 N/A ARG 382.A NE TYR 306.A O no hydrogen 2.822 N/A LEU 383.A N TYR 306.A O no hydrogen 2.868 N/A ARG 386.A N VAL 254.A O no hydrogen 3.031 N/A ARG 386.A NH2 GLN 384.A O no hydrogen 2.876 N/A TYR 388.A N VAL 252.A O no hydrogen 2.885 N/A SER 389.A OG ASP 601.A OD1 no hydrogen 2.730 N/A ILE 390.A N ASP 250.A O no hydrogen 3.049 N/A ALA 391.A N HIS 402.A O no hydrogen 2.826 N/A SER 392.A OG TYR 246.A OH no hydrogen 2.963 N/A SER 393.A N GLN 472.A OE1 no hydrogen 3.018 N/A SER 393.A OG GLU 473.A OE1 no hydrogen 2.667 N/A SER 394.A OG TYR 246.A O no hydrogen 2.763 N/A LYS 395.A N SER 393.A OG no hydrogen 3.110 N/A LYS 395.A NZ GLU 473.A OE2 no hydrogen 3.307 N/A VAL 396.A N SER 393.A O no hydrogen 3.087 N/A HIS 397.A N SER 393.A O no hydrogen 2.721 N/A SER 400.A N HIS 397.A O no hydrogen 3.279 N/A SER 400.A OG LEU 237.A O no hydrogen 3.371 N/A SER 400.A OG HIS 402.A NE2 no hydrogen 3.176 N/A VAL 401.A N LEU 237.A O no hydrogen 2.942 N/A HIS 402.A N SER 392.A OG no hydrogen 3.078 N/A ILE 403.A N LEU 235.A O no hydrogen 2.882 N/A ALA 405.A N MET 233.A O no hydrogen 3.019 N/A VAL 407.A N HIS 231.A O no hydrogen 2.803 N/A VAL 408.A N THR 423.A OG1 no hydrogen 3.024 N/A TYR 410.A N ASN 418.A O no hydrogen 3.036 N/A THR 412.A N ARG 416.A O no hydrogen 2.750 N/A THR 412.A OG1 ARG 416.A O no hydrogen 3.560 N/A ALA 414.A N THR 412.A OG1 no hydrogen 3.161 N/A GLY 415.A N THR 412.A O no hydrogen 3.048 N/A ARG 416.A N THR 412.A OG1 no hydrogen 3.041 N/A ARG 416.A NH1 ASP 365.A OD1 no hydrogen 3.553 N/A ARG 416.A NH1 ASP 365.A OD2 no hydrogen 2.758 N/A ARG 416.A NH2 ASP 365.A OD1 no hydrogen 3.149 N/A ASN 418.A N TYR 410.A O no hydrogen 2.809 N/A GLY 420.A N VAL 408.A O no hydrogen 2.826 N/A ASN 424.A N GLY 420.A O no hydrogen 3.241 N/A ASN 424.A ND2 VAL 408.A O no hydrogen 2.955 N/A ASN 424.A ND2 GLY 420.A O no hydrogen 2.954 N/A TRP 425.A N VAL 421.A O no hydrogen 3.265 N/A LEU 426.A N ALA 422.A O no hydrogen 2.847 N/A ARG 427.A N THR 423.A O no hydrogen 2.902 N/A ALA 428.A N ASN 424.A O no hydrogen 3.190 N/A LYS 429.A N LEU 426.A O no hydrogen 3.065 N/A LYS 429.A NZ LEU 435.A O no hydrogen 2.965 N/A VAL 432.A N VAL 218.A O no hydrogen 2.938 N/A VAL 436.A N ALA 216.A O no hydrogen 2.772 N/A MET 438.A N PHE 214.A O no hydrogen 2.918 N/A PHE 439.A N ALA 253.A O no hydrogen 3.131 N/A ARG 441.A N HIS 251.A O no hydrogen 2.864 N/A ARG 441.A NH1 ASP 82.A OD1 no hydrogen 3.014 N/A ARG 441.A NH2 ASP 82.A OD1 no hydrogen 3.221 N/A ARG 441.A NH2 ASP 82.A OD2 no hydrogen 2.937 N/A SER 443.A N ASP 250.A OD1 no hydrogen 3.093 N/A SER 443.A OG GLY 249.A O no hydrogen 2.631 N/A PHE 445.A N SER 443.A OG no hydrogen 3.211 N/A ARG 446.A NH1 ASP 250.A OD1 no hydrogen 2.785 N/A ARG 446.A NH1 PHE 445.A O no hydrogen 3.043 N/A ARG 446.A NH2 ASP 250.A OD1 no hydrogen 2.656 N/A THR 453.A N LYS 450.A O no hydrogen 3.100 N/A THR 453.A OG1 LYS 450.A O no hydrogen 3.432 N/A VAL 455.A N GLU 486.A O no hydrogen 2.937 N/A ILE 456.A N HIS 552.A O no hydrogen 2.883 N/A MET 457.A N LEU 488.A O no hydrogen 2.805 N/A VAL 458.A N TYR 554.A O no hydrogen 2.831 N/A GLY 459.A N TYR 490.A O no hydrogen 2.935 N/A GLY 461.A N GLY 492.A O no hydrogen 2.825 N/A GLY 463.A N PRO 460.A O no hydrogen 3.035 N/A VAL 464.A N GLY 461.A O no hydrogen 3.059 N/A ALA 465.A N THR 462.A O no hydrogen 3.023 N/A PHE 467.A N VAL 464.A O no hydrogen 2.932 N/A ILE 468.A N VAL 464.A O no hydrogen 3.262 N/A ILE 468.A N ALA 465.A O no hydrogen 3.154 N/A PHE 470.A N PRO 466.A O no hydrogen 2.941 N/A ILE 471.A N PHE 467.A O no hydrogen 2.869 N/A GLN 472.A N ILE 468.A O no hydrogen 3.025 N/A GLU 473.A N GLY 469.A O no hydrogen 2.987 N/A ARG 474.A N PHE 470.A O no hydrogen 2.935 N/A ARG 474.A NE THR 487.A OG1 no hydrogen 2.882 N/A ARG 474.A NH1 THR 453.A O no hydrogen 3.184 N/A ARG 474.A NH2 THR 453.A O no hydrogen 2.852 N/A ARG 474.A NH2 GLU 486.A O no hydrogen 3.134 N/A ARG 474.A NH2 THR 487.A OG1 no hydrogen 3.295 N/A ALA 475.A N ILE 471.A O no hydrogen 2.880 N/A TRP 476.A N GLN 472.A O no hydrogen 2.937 N/A LEU 477.A N GLU 473.A O no hydrogen 2.847 N/A ARG 478.A N ARG 474.A O no hydrogen 3.099 N/A GLN 479.A N ALA 475.A O no hydrogen 3.023 N/A GLN 480.A N LEU 477.A O no hydrogen 2.932 N/A GLN 480.A NE2 TRP 476.A O no hydrogen 3.020 N/A GLY 481.A N ARG 478.A O no hydrogen 3.003 N/A LYS 482.A N LEU 477.A O no hydrogen 3.174 N/A GLY 485.A N ALA 451.A O no hydrogen 2.923 N/A THR 487.A N THR 516.A OG1 no hydrogen 2.881 N/A THR 487.A OG1 GLY 485.A O no hydrogen 3.510 N/A LEU 488.A N VAL 455.A O no hydrogen 2.918 N/A LEU 489.A N GLN 517.A O no hydrogen 3.080 N/A TYR 490.A N MET 457.A O no hydrogen 2.746 N/A TYR 490.A OH ASP 539.A OD1 no hydrogen 2.681 N/A TYR 491.A N ASN 519.A O no hydrogen 2.823 N/A CYS 493.A N ALA 521.A O no hydrogen 3.115 N/A CYS 493.A SG ARG 495.A O no hydrogen 3.740 N/A ARG 494.A N ASP 499.A OD2 no hydrogen 3.130 N/A ARG 495.A N ASP 499.A OD1 no hydrogen 3.025 N/A SER 496.A N GLU 525.A OE1 no hydrogen 2.769 N/A SER 496.A OG GLU 525.A OE1 no hydrogen 2.677 N/A GLU 498.A N ARG 495.A O no hydrogen 2.984 N/A ASP 499.A N ARG 495.A O no hydrogen 3.217 N/A LEU 501.A N TYR 491.A OH no hydrogen 2.872 N/A GLU 505.A N GLU 505.A OE1 no hydrogen 2.686 N/A LEU 506.A N TYR 502.A O no hydrogen 2.870 N/A ALA 507.A N ARG 503.A O no hydrogen 3.068 N/A GLN 508.A N GLU 504.A O no hydrogen 3.083 N/A PHE 509.A N GLU 505.A O no hydrogen 3.002 N/A HIS 510.A N LEU 506.A O no hydrogen 3.052 N/A ARG 511.A N ALA 507.A O no hydrogen 2.953 N/A ASP 512.A N GLN 508.A O no hydrogen 2.806 N/A GLY 513.A N PHE 509.A O no hydrogen 3.134 N/A GLY 513.A N HIS 510.A O no hydrogen 3.129 N/A LEU 515.A N PHE 509.A O no hydrogen 3.109 N/A THR 516.A N THR 487.A O no hydrogen 2.903 N/A THR 516.A OG1 THR 487.A O no hydrogen 3.481 N/A GLN 517.A N THR 487.A O no hydrogen 3.490 N/A ASN 519.A N LEU 489.A O no hydrogen 2.915 N/A ALA 521.A N TYR 491.A O no hydrogen 2.884 N/A SER 523.A N CYS 493.A O no hydrogen 2.971 N/A SER 523.A OG CYS 493.A O no hydrogen 3.290 N/A ARG 524.A N ARG 494.A O no hydrogen 2.883 N/A GLN 526.A NE2 PHE 522.A O no hydrogen 2.998 N/A GLN 526.A NE2 HIS 528.A O no hydrogen 3.553 N/A TYR 531.A N HIS 534.A ND1 no hydrogen 2.847 N/A HIS 534.A N TYR 531.A O no hydrogen 2.998 N/A LEU 535.A N TYR 531.A O no hydrogen 3.445 N/A LEU 536.A N VAL 532.A O no hydrogen 2.920 N/A LYS 537.A N GLN 533.A O no hydrogen 2.990 N/A LYS 537.A NZ GLU 576.A OE1 no hydrogen 2.806 N/A LYS 537.A NZ GLU 576.A OE2 no hydrogen 3.177 N/A GLN 538.A N HIS 534.A O no hydrogen 3.171 N/A GLN 538.A NE2 HIS 534.A O no hydrogen 3.495 N/A ASP 539.A N LEU 535.A O no hydrogen 3.103 N/A ARG 540.A N LYS 537.A O no hydrogen 3.039 N/A ARG 540.A NE GLU 576.A OE1 no hydrogen 2.940 N/A ARG 540.A NH2 GLU 576.A OE1 no hydrogen 2.714 N/A HIS 542.A NE2 GLU 486.A OE1 no hydrogen 2.716 N/A LEU 543.A N ASP 539.A O no hydrogen 3.017 N/A TRP 544.A N ARG 540.A O no hydrogen 2.941 N/A LYS 545.A N GLU 541.A O no hydrogen 3.189 N/A LEU 546.A N HIS 542.A O no hydrogen 3.030 N/A ILE 547.A N LEU 543.A O no hydrogen 2.808 N/A GLU 548.A N TRP 544.A O no hydrogen 2.748 N/A GLY 549.A N LYS 545.A O no hydrogen 2.997 N/A GLY 550.A N ILE 547.A O no hydrogen 3.034 N/A ALA 551.A N LEU 546.A O no hydrogen 2.937 N/A HIS 552.A N PRO 454.A O no hydrogen 3.042 N/A ILE 553.A N ARG 597.A O no hydrogen 2.737 N/A TYR 554.A N ILE 456.A O no hydrogen 2.826 N/A TYR 554.A OH ARG 446.A O no hydrogen 2.543 N/A VAL 555.A N SER 599.A O no hydrogen 2.823 N/A CYS 556.A N VAL 458.A O no hydrogen 2.959 N/A CYS 556.A SG GLY 463.A O no hydrogen 3.193 N/A CYS 556.A SG ASP 601.A O no hydrogen 3.278 N/A CYS 556.A SG ASP 601.A OD1 no hydrogen 3.697 N/A GLY 557.A N ASP 601.A O no hydrogen 3.141 N/A ALA 559.A N TRP 603.A O no hydrogen 3.032 N/A ASN 561.A N ASP 558.A OD1 no hydrogen 2.915 N/A MET 562.A N ASP 558.A OD1 no hydrogen 2.953 N/A ALA 563.A N ASP 558.A O no hydrogen 3.079 N/A ARG 564.A NH2 ASP 565.A OD2 no hydrogen 2.619 N/A ASP 565.A N ASN 561.A O no hydrogen 2.995 N/A VAL 566.A N MET 562.A O no hydrogen 2.853 N/A GLN 567.A N ALA 563.A O no hydrogen 2.956 N/A GLN 567.A NE2 GLU 114.A OE2 no hydrogen 2.980 N/A GLN 567.A NE2 TYR 571.A OH no hydrogen 2.891 N/A ASN 568.A N ARG 564.A O no hydrogen 2.910 N/A THR 569.A N ASP 565.A O no hydrogen 3.029 N/A THR 569.A OG1 ASP 565.A O no hydrogen 3.046 N/A PHE 570.A N VAL 566.A O no hydrogen 3.007 N/A TYR 571.A N GLN 567.A O no hydrogen 2.951 N/A ASP 572.A N ASN 568.A O no hydrogen 3.105 N/A ILE 573.A N THR 569.A O no hydrogen 2.940 N/A VAL 574.A N PHE 570.A O no hydrogen 3.019 N/A ALA 575.A N TYR 571.A O no hydrogen 2.840 N/A GLU 576.A N ASP 572.A O no hydrogen 2.828 N/A LEU 577.A N ILE 573.A O no hydrogen 2.975 N/A GLY 578.A N VAL 574.A O no hydrogen 2.753 N/A MET 580.A N ALA 575.A O no hydrogen 3.309 N/A GLN 584.A N GLU 581.A O no hydrogen 2.944 N/A ALA 585.A N GLU 581.A O no hydrogen 2.974 N/A VAL 586.A N HIS 582.A O no hydrogen 2.861 N/A ASP 587.A N ALA 583.A O no hydrogen 3.135 N/A TYR 588.A N GLN 584.A O no hydrogen 2.901 N/A ILE 589.A N ALA 585.A O no hydrogen 2.936 N/A LYS 590.A N VAL 586.A O no hydrogen 2.961 N/A LYS 590.A NZ GLU 114.A OE1 no hydrogen 2.921 N/A LYS 591.A N ASP 587.A O no hydrogen 2.850 N/A LEU 592.A N TYR 588.A O no hydrogen 3.018 N/A MET 593.A N ILE 589.A O no hydrogen 3.161 N/A THR 594.A N LYS 590.A O no hydrogen 3.260 N/A THR 594.A OG1 LYS 591.A O no hydrogen 2.712 N/A LYS 595.A N LYS 591.A O no hydrogen 3.056 N/A LYS 595.A N LEU 592.A O no hydrogen 3.123 N/A GLY 596.A N MET 593.A O no hydrogen 3.039 N/A ARG 597.A N LEU 592.A O no hydrogen 2.784 N/A ARG 597.A NE ALA 551.A O no hydrogen 3.208 N/A ARG 597.A NH2 ILE 547.A O no hydrogen 2.810 N/A ARG 597.A NH2 ALA 551.A O no hydrogen 3.016 N/A SER 599.A N ILE 553.A O no hydrogen 2.837 N/A ASP 601.A N VAL 555.A O no hydrogen 2.849 N/A TRP 603.A N GLY 557.A O no hydrogen 2.983 N/A