Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ubr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASN 1.A O no hydrogen 3.283 N/A ILE 6.A N ARG 2.A O no hydrogen 3.230 N/A LEU 7.A N GLU 3.A O no hydrogen 3.012 N/A ASN 8.A N GLU 4.A O no hydrogen 2.788 N/A ARG 9.A N LYS 5.A O no hydrogen 2.982 N/A GLU 10.A N ILE 6.A O no hydrogen 3.251 N/A ILE 11.A N LEU 7.A O no hydrogen 2.968 N/A GLY 12.A N ASN 8.A O no hydrogen 3.026 N/A PHE 13.A N ARG 9.A O no hydrogen 2.990 N/A ALA 14.A N GLU 10.A O no hydrogen 2.994 N/A ILE 15.A N ILE 11.A O no hydrogen 2.903 N/A GLY 16.A N GLY 12.A O no hydrogen 2.903 N/A MET 17.A N GLY 12.A O no hydrogen 3.184 N/A GLU 21.A N PRO 18.A O no hydrogen 2.996 N/A PHE 22.A N VAL 19.A O no hydrogen 2.901 N/A ASP 23.A N VAL 19.A O no hydrogen 3.426 N/A MET 24.A N CYS 20.A O no hydrogen 3.265 N/A VAL 25.A N PHE 22.A O no hydrogen 3.219 N/A GLU 29.A N ASP 27.A OD1 no hydrogen 3.105 N/A GLN 31.A N ASP 27.A O no hydrogen 3.243 N/A GLN 31.A NE2 PHE 22.A O no hydrogen 2.754 N/A GLN 31.A NE2 VAL 25.A O no hydrogen 2.965 N/A ASP 32.A N PRO 28.A O no hydrogen 2.912 N/A PHE 33.A N GLU 29.A O no hydrogen 2.828 N/A ARG 34.A N VAL 30.A O no hydrogen 3.023 N/A ARG 34.A NE GLU 540.A OE1 no hydrogen 2.805 N/A ARG 34.A NH1 ASP 23.A OD1 no hydrogen 2.805 N/A ARG 34.A NH1 GLN 31.A OE1 no hydrogen 3.251 N/A ARG 34.A NH2 ASP 23.A OD1 no hydrogen 3.313 N/A ARG 34.A NH2 GLU 540.A OE1 no hydrogen 3.383 N/A ARG 34.A NH2 GLU 540.A OE2 no hydrogen 2.788 N/A ARG 35.A N GLN 31.A O no hydrogen 3.175 N/A ASN 36.A N ASP 32.A O no hydrogen 2.790 N/A ILE 37.A N PHE 33.A O no hydrogen 2.932 N/A LEU 38.A N ARG 35.A O no hydrogen 3.210 N/A VAL 40.A N ILE 37.A O no hydrogen 2.918 N/A CYS 41.A SG SER 541.A O no hydrogen 3.479 N/A LYS 42.A N LEU 38.A O no hydrogen 3.008 N/A GLU 43.A N ASN 39.A O no hydrogen 2.862 N/A ALA 44.A N VAL 40.A O no hydrogen 3.041 N/A VAL 45.A N CYS 41.A O no hydrogen 3.088 N/A ASP 46.A N LYS 42.A O no hydrogen 2.982 N/A LEU 47.A N GLU 43.A O no hydrogen 3.117 N/A ARG 48.A N ALA 44.A O no hydrogen 3.198 N/A ARG 48.A N VAL 45.A O no hydrogen 2.939 N/A ARG 48.A NH1 LEU 509.A O no hydrogen 2.837 N/A ARG 48.A NH1 ALA 545.A O no hydrogen 2.739 N/A ARG 48.A NH2 ASP 179.A OD1 no hydrogen 3.112 N/A ARG 48.A NH2 ALA 545.A O no hydrogen 3.038 N/A ASP 49.A N ASP 46.A O no hydrogen 3.213 N/A SER 55.A N ASN 51.A O no hydrogen 2.830 N/A ARG 56.A N PRO 53.A O no hydrogen 2.982 N/A ARG 56.A NE SER 52.A OG no hydrogen 3.158 N/A ARG 56.A NH1 LEU 176.A O no hydrogen 2.821 N/A ARG 56.A NH2 LEU 176.A O no hydrogen 3.410 N/A ALA 57.A N PRO 53.A O no hydrogen 2.932 N/A MET 58.A N HIS 54.A O no hydrogen 2.871 N/A TYR 59.A N SER 55.A O no hydrogen 3.369 N/A TYR 59.A OH CYS 546.A O no hydrogen 2.620 N/A VAL 60.A N ARG 56.A O no hydrogen 3.147 N/A TYR 61.A N ALA 57.A O no hydrogen 2.790 N/A ASN 64.A ND2 GLU 138.A OE2 no hydrogen 2.964 N/A GLU 66.A N GLN 148.A O no hydrogen 2.776 N/A SER 67.A OG THR 475.A OG1 no hydrogen 2.632 N/A SER 67.A OG ASP 477.A OD2 no hydrogen 2.814 N/A HIS 74.A NE2 GLN 676.A OE1 no hydrogen 2.939 N/A ILE 75.A N PRO 72.A O no hydrogen 3.101 N/A TYR 76.A N PRO 72.A O no hydrogen 3.163 N/A ASN 77.A N LYS 73.A O no hydrogen 3.237 N/A LYS 78.A N ILE 75.A O no hydrogen 2.988 N/A LEU 79.A N TYR 76.A O no hydrogen 2.879 N/A ASP 80.A N GLN 83.A O no hydrogen 2.998 N/A GLN 83.A NE2 ASN 106.A OD1 no hydrogen 3.300 N/A ILE 84.A N ILE 105.A O no hydrogen 2.786 N/A VAL 86.A N LEU 103.A O no hydrogen 2.880 N/A VAL 87.A N PRO 162.A O no hydrogen 2.855 N/A ILE 88.A N TYR 101.A O no hydrogen 3.108 N/A TRP 89.A N LEU 164.A O no hydrogen 2.913 N/A TRP 89.A NE1 ASN 163.A OD1 no hydrogen 3.357 N/A VAL 90.A N GLN 99.A O no hydrogen 2.913 N/A VAL 92.A N ASP 97.A O no hydrogen 3.099 N/A SER 93.A OG VAL 92.A O no hydrogen 2.740 N/A SER 93.A OG ASN 95.A OD1 no hydrogen 3.043 N/A ASN 96.A N SER 93.A O no hydrogen 3.288 N/A GLN 99.A N VAL 90.A O no hydrogen 3.086 N/A TYR 101.A N ILE 88.A O no hydrogen 2.797 N/A TYR 101.A OH GLN 99.A OE1 no hydrogen 2.625 N/A LEU 103.A N VAL 86.A O no hydrogen 2.810 N/A ILE 105.A N ILE 84.A O no hydrogen 3.054 N/A HIS 107.A N GLY 82.A O no hydrogen 3.274 N/A HIS 107.A ND1 SER 147.A OG no hydrogen 2.807 N/A CYS 109.A N ASN 106.A O no hydrogen 3.184 N/A VAL 110.A N GLN 113.A OE1 no hydrogen 3.098 N/A GLN 113.A N VAL 110.A O no hydrogen 2.824 N/A VAL 114.A N VAL 110.A O no hydrogen 3.191 N/A ILE 115.A N PRO 111.A O no hydrogen 2.942 N/A ALA 116.A N GLU 112.A O no hydrogen 3.168 N/A GLU 117.A N GLN 113.A O no hydrogen 2.906 N/A ALA 118.A N VAL 114.A O no hydrogen 3.133 N/A ILE 119.A N ILE 115.A O no hydrogen 2.998 N/A ARG 120.A N ALA 116.A O no hydrogen 2.851 N/A LYS 121.A N GLU 117.A O no hydrogen 3.097 N/A LYS 122.A N ALA 118.A O no hydrogen 3.161 N/A LYS 122.A NZ GLN 99.A OE1 no hydrogen 3.228 N/A THR 123.A N ILE 119.A O no hydrogen 2.818 N/A THR 123.A OG1 ILE 119.A O no hydrogen 2.723 N/A ARG 124.A N ARG 120.A O no hydrogen 2.759 N/A SER 125.A OG LYS 121.A O no hydrogen 3.228 N/A MET 126.A N THR 123.A O no hydrogen 3.186 N/A GLY 127.A N GLU 112.A OE2 no hydrogen 3.049 N/A ILE 130.A N MET 167.A O no hydrogen 2.801 N/A LYS 132.A N MET 165.A O no hydrogen 2.943 N/A LYS 132.A NZ VAL 133.A O no hydrogen 3.092 N/A LYS 132.A NZ CYS 136.A O no hydrogen 2.787 N/A LYS 132.A NZ ASP 638.A OD1 no hydrogen 2.800 N/A VAL 133.A N GLU 138.A O no hydrogen 2.813 N/A CYS 134.A N ASN 163.A O no hydrogen 3.060 N/A GLY 135.A N ASP 638.A OD2 no hydrogen 3.119 N/A ASP 137.A N ALA 609.A O no hydrogen 2.851 N/A PHE 140.A N LEU 131.A O no hydrogen 2.951 N/A GLU 142.A N TYR 149.A OH no hydrogen 3.272 N/A LYS 143.A N GLU 142.A OE1 no hydrogen 3.324 N/A TYR 144.A N GLU 142.A O no hydrogen 2.808 N/A LEU 146.A N CYS 109.A O no hydrogen 2.852 N/A SER 147.A N HIS 107.A O no hydrogen 2.941 N/A SER 147.A OG HIS 107.A ND1 no hydrogen 2.807 N/A SER 147.A OG HIS 107.A O no hydrogen 3.321 N/A GLN 148.A N PRO 145.A O no hydrogen 2.797 N/A GLN 148.A NE2 GLU 66.A O no hydrogen 2.996 N/A TYR 149.A N LEU 146.A O no hydrogen 3.215 N/A TYR 149.A OH GLU 142.A O no hydrogen 2.698 N/A LYS 150.A N ASN 64.A O no hydrogen 2.918 N/A LYS 150.A NZ ASP 477.A OD1 no hydrogen 2.785 N/A ARG 153.A N TYR 149.A O no hydrogen 2.939 N/A ARG 153.A NH1 SER 68.A O no hydrogen 3.445 N/A ARG 153.A NH1 SER 147.A O no hydrogen 2.973 N/A ARG 153.A NH2 SER 68.A O no hydrogen 2.797 N/A SER 154.A N LYS 150.A O no hydrogen 2.818 N/A CYS 155.A N TYR 151.A O no hydrogen 3.051 N/A CYS 155.A SG TYR 151.A O no hydrogen 3.338 N/A ILE 156.A N ILE 152.A O no hydrogen 2.843 N/A MET 157.A N ARG 153.A O no hydrogen 3.158 N/A GLY 159.A N ILE 156.A O no hydrogen 3.262 N/A ARG 160.A N CYS 155.A O no hydrogen 2.930 N/A ASN 163.A N TYR 151.A OH no hydrogen 2.994 N/A LEU 164.A N VAL 87.A O no hydrogen 2.933 N/A MET 165.A N LYS 132.A O no hydrogen 2.737 N/A LEU 166.A N TRP 89.A O no hydrogen 2.865 N/A MET 167.A N ILE 130.A O no hydrogen 3.033 N/A LYS 169.A N LYS 128.A O no hydrogen 2.967 N/A LYS 169.A NZ GLY 127.A O no hydrogen 3.519 N/A SER 171.A N ALA 168.A O no hydrogen 2.820 N/A LEU 172.A N LYS 169.A O no hydrogen 3.089 N/A TYR 173.A N LYS 169.A O no hydrogen 2.915 N/A SER 174.A N GLU 170.A O no hydrogen 3.247 N/A SER 174.A OG GLU 170.A O no hydrogen 2.710 N/A SER 174.A OG SER 171.A O no hydrogen 3.118 N/A GLN 175.A N LEU 172.A O no hydrogen 2.919 N/A LEU 176.A N TYR 173.A O no hydrogen 3.236 N/A CYS 180.A SG CYS 180.A O no hydrogen 2.928 N/A SER 185.A N GLU 4.A OE2 no hydrogen 3.172 N/A SER 185.A OG GLU 4.A OE1 no hydrogen 3.537 N/A SER 185.A OG GLU 4.A OE2 no hydrogen 3.474 N/A SER 187.A N PRO 184.A O no hydrogen 3.088 N/A SER 187.A OG PRO 184.A O no hydrogen 2.658 N/A ARG 188.A N SER 185.A O no hydrogen 3.496 N/A SER 196.A OG ALA 197.A O no hydrogen 2.909 N/A LEU 198.A N ILE 249.A O no hydrogen 2.855 N/A ARG 199.A NE ASP 329.A OD1 no hydrogen 3.379 N/A ARG 199.A NE ASP 329.A OD2 no hydrogen 3.099 N/A ARG 199.A NH2 ASP 329.A OD1 no hydrogen 3.274 N/A ILE 200.A N LEU 245.A O no hydrogen 3.077 N/A LYS 201.A N GLU 327.A O no hydrogen 2.811 N/A ILE 202.A N GLU 243.A O no hydrogen 3.055 N/A LEU 203.A N GLU 325.A O no hydrogen 3.011 N/A CYS 204.A SG GLU 325.A OE1 no hydrogen 3.718 N/A ALA 205.A N PRO 239.A O no hydrogen 3.023 N/A THR 206.A N CYS 323.A O no hydrogen 3.034 N/A THR 206.A OG1 CYS 323.A O no hydrogen 3.405 N/A ILE 212.A N VAL 234.A O no hydrogen 2.780 N/A TYR 213.A N CYS 265.A O no hydrogen 3.072 N/A TYR 213.A OH HIS 270.A ND1 no hydrogen 2.764 N/A ARG 215.A N SER 263.A O no hydrogen 3.001 N/A ARG 215.A NE ASN 230.A OD1 no hydrogen 2.785 N/A THR 216.A N VAL 229.A O no hydrogen 2.830 N/A THR 216.A OG1 VAL 229.A O no hydrogen 2.745 N/A THR 216.A OG1 TYR 247.A OH no hydrogen 2.622 N/A GLY 217.A N CYS 261.A O no hydrogen 2.911 N/A TYR 219.A N ARG 259.A O no hydrogen 2.920 N/A HIS 220.A N GLU 223.A O no hydrogen 2.851 N/A GLU 223.A N HIS 220.A O no hydrogen 3.103 N/A LEU 225.A N ILE 218.A O no hydrogen 2.798 N/A CYS 226.A SG ASP 227.A O no hydrogen 3.788 N/A VAL 229.A N THR 216.A O no hydrogen 2.830 N/A THR 231.A N VAL 214.A O no hydrogen 2.890 N/A GLN 232.A N GLU 243.A OE1 no hydrogen 3.085 N/A ASN 238.A N PRO 235.A O no hydrogen 2.925 N/A ARG 240.A N ASN 238.A O no hydrogen 2.972 N/A TRP 241.A N LEU 203.A O no hydrogen 2.783 N/A TRP 241.A NE1 GLN 232.A O no hydrogen 3.215 N/A ASN 242.A N LEU 203.A O no hydrogen 2.969 N/A LEU 245.A N ILE 200.A O no hydrogen 2.892 N/A TYR 247.A N LEU 198.A O no hydrogen 2.791 N/A TYR 247.A OH THR 216.A OG1 no hydrogen 2.622 N/A TYR 250.A OH ASN 195.A OD1 no hydrogen 2.756 N/A ILE 251.A N SER 196.A O no hydrogen 2.811 N/A ASP 253.A N TYR 250.A O no hydrogen 2.817 N/A LEU 254.A N ILE 251.A O no hydrogen 3.235 N/A ARG 256.A NE ASP 285.A OD1 no hydrogen 3.279 N/A ARG 256.A NH1 ARG 256.A O no hydrogen 2.824 N/A ARG 256.A NH1 TYR 495.A OH no hydrogen 2.671 N/A ARG 256.A NH2 ASP 285.A OD1 no hydrogen 2.966 N/A ARG 256.A NH2 TYR 495.A OH no hydrogen 3.202 N/A ALA 258.A N PRO 255.A O no hydrogen 3.052 N/A ARG 259.A N TYR 219.A O no hydrogen 2.899 N/A ARG 259.A NH1 PRO 309.A O no hydrogen 2.866 N/A ARG 259.A NH1 THR 313.A OG1 no hydrogen 2.872 N/A ARG 259.A NH2 GLY 221.A O no hydrogen 2.714 N/A ARG 259.A NH2 PRO 309.A O no hydrogen 2.715 N/A LEU 260.A N ILE 278.A O no hydrogen 2.758 N/A CYS 261.A N GLY 217.A O no hydrogen 2.808 N/A CYS 261.A SG ASN 277.A OD1 no hydrogen 3.423 N/A LEU 262.A N GLY 276.A O no hydrogen 2.957 N/A SER 263.A N ARG 215.A O no hydrogen 3.166 N/A SER 263.A OG LEU 306.A O no hydrogen 2.667 N/A ILE 264.A N ALA 274.A O no hydrogen 2.802 N/A CYS 265.A N TYR 213.A O no hydrogen 2.845 N/A CYS 265.A SG SER 263.A OG no hydrogen 3.268 N/A SER 266.A N CYS 271.A O no hydrogen 2.856 N/A SER 266.A OG CYS 271.A O no hydrogen 3.021 N/A CYS 271.A N SER 266.A O no hydrogen 2.949 N/A LEU 273.A N ILE 264.A O no hydrogen 2.746 N/A TRP 275.A N TRP 297.A O no hydrogen 3.047 N/A TRP 275.A NE1 PRO 298.A O no hydrogen 2.851 N/A GLY 276.A N LEU 262.A O no hydrogen 2.967 N/A ASN 277.A ND2 ASN 308.A O no hydrogen 2.863 N/A ASN 277.A ND2 GLY 311.A O no hydrogen 3.131 N/A ASN 277.A ND2 VAL 312.A O no hydrogen 3.320 N/A ILE 278.A N LEU 260.A O no hydrogen 2.815 N/A ASN 279.A ND2 GLN 494.A O no hydrogen 3.277 N/A LEU 280.A N ALA 258.A O no hydrogen 3.014 N/A ASP 282.A N THR 286.A O no hydrogen 2.994 N/A TYR 283.A OH ASP 32.A OD2 no hydrogen 2.723 N/A THR 284.A N ASP 282.A OD1 no hydrogen 2.875 N/A THR 284.A OG1 ASP 282.A OD1 no hydrogen 2.591 N/A THR 284.A OG1 ASP 282.A OD2 no hydrogen 3.351 N/A THR 284.A OG1 THR 286.A OG1 no hydrogen 3.280 N/A ASP 285.A N ASP 282.A O no hydrogen 3.097 N/A THR 286.A N ASP 282.A OD1 no hydrogen 3.099 N/A THR 286.A OG1 THR 284.A OG1 no hydrogen 3.280 N/A LEU 287.A N VAL 335.A O no hydrogen 2.826 N/A VAL 288.A N LEU 280.A O no hydrogen 3.076 N/A GLY 290.A N PHE 328.A O no hydrogen 2.955 N/A MET 292.A N LEU 326.A O no hydrogen 2.947 N/A LEU 294.A N LEU 324.A O no hydrogen 2.790 N/A ASN 295.A N SER 315.A OG no hydrogen 2.988 N/A ASN 295.A ND2 THR 321.A OG1 no hydrogen 2.811 N/A LEU 296.A N PRO 322.A O no hydrogen 2.790 N/A TRP 297.A N TRP 275.A O no hydrogen 2.714 N/A TRP 297.A NE1 GLY 314.A O no hydrogen 2.938 N/A LEU 307.A N ASP 305.A OD2 no hydrogen 3.391 N/A GLY 311.A N ASN 308.A O no hydrogen 2.997 N/A GLY 314.A N ASN 277.A O no hydrogen 3.068 N/A ASN 316.A N ASN 295.A O no hydrogen 2.903 N/A ASN 316.A ND2 LEU 296.A O no hydrogen 2.821 N/A ASN 318.A N ASN 316.A OD1 no hydrogen 3.375 N/A LYS 319.A NZ ASN 316.A O no hydrogen 2.816 N/A GLU 320.A N ASN 318.A OD1 no hydrogen 3.360 N/A THR 321.A OG1 ASN 318.A O no hydrogen 2.690 N/A CYS 323.A N THR 206.A O no hydrogen 2.909 N/A CYS 323.A SG ASN 295.A OD1 no hydrogen 3.491 N/A LEU 324.A N LEU 294.A O no hydrogen 2.959 N/A GLU 325.A N CYS 204.A O no hydrogen 2.751 N/A LEU 326.A N MET 292.A O no hydrogen 2.825 N/A GLU 327.A N LYS 201.A O no hydrogen 2.783 N/A PHE 328.A N GLY 290.A O no hydrogen 3.013 N/A SER 333.A OG LYS 189.A O no hydrogen 3.119 N/A LYS 336.A N SER 190.A O no hydrogen 3.406 N/A LYS 336.A NZ THR 286.A OG1 no hydrogen 2.807 N/A PHE 337.A N ASP 285.A O no hydrogen 2.788 N/A SER 341.A OG ASP 339.A OD2 no hydrogen 2.720 N/A ILE 343.A N ASP 339.A O no hydrogen 3.180 N/A GLU 344.A N MET 340.A O no hydrogen 2.721 N/A GLU 345.A N SER 341.A O no hydrogen 3.074 N/A HIS 346.A N VAL 342.A O no hydrogen 3.156 N/A HIS 346.A NE2 ASP 429.A OD1 no hydrogen 2.768 N/A ALA 347.A N ILE 343.A O no hydrogen 2.938 N/A ASN 348.A N GLU 344.A O no hydrogen 3.046 N/A TRP 349.A N GLU 345.A O no hydrogen 2.924 N/A SER 350.A N HIS 346.A O no hydrogen 2.991 N/A SER 350.A OG HIS 346.A O no hydrogen 3.226 N/A VAL 351.A N ALA 347.A O no hydrogen 2.837 N/A SER 352.A N ASN 348.A O no hydrogen 3.116 N/A SER 352.A OG ASN 348.A O no hydrogen 2.692 N/A ARG 353.A N TRP 349.A O no hydrogen 3.040 N/A GLU 354.A N SER 350.A O no hydrogen 2.988 N/A ALA 355.A N VAL 351.A O no hydrogen 3.101 N/A GLY 356.A N ARG 353.A O no hydrogen 3.354 N/A PHE 357.A N GLU 354.A O no hydrogen 3.226 N/A SER 358.A OG SER 360.A OG no hydrogen 3.416 N/A SER 360.A OG SER 358.A OG no hydrogen 3.416 N/A HIS 361.A N SER 358.A OG no hydrogen 3.282 N/A ALA 362.A N SER 358.A O no hydrogen 3.070 N/A GLY 363.A N TYR 359.A O no hydrogen 3.096 N/A LEU 364.A N HIS 361.A O no hydrogen 3.058 N/A SER 365.A N ALA 362.A O no hydrogen 3.313 N/A ARG 367.A N SER 365.A OG no hydrogen 3.360 N/A ARG 367.A NE GLU 430.A OE2 no hydrogen 2.817 N/A ARG 367.A NH1 ASP 400.A OD1 no hydrogen 3.171 N/A ARG 367.A NH1 SER 422.A O no hydrogen 3.155 N/A ARG 367.A NH2 SER 422.A O no hydrogen 2.791 N/A ARG 367.A NH2 GLU 430.A OE1 no hydrogen 2.657 N/A ARG 367.A NH2 GLU 430.A OE2 no hydrogen 3.436 N/A LEU 368.A N SER 365.A O no hydrogen 3.201 N/A LYS 379.A N ARG 375.A O no hydrogen 3.166 N/A GLU 380.A N GLU 376.A O no hydrogen 3.038 N/A GLN 381.A N ASN 377.A O no hydrogen 2.979 N/A LEU 382.A N ASP 378.A O no hydrogen 2.998 N/A LYS 383.A N LYS 379.A O no hydrogen 3.325 N/A ALA 384.A N GLU 380.A O no hydrogen 2.972 N/A ILE 385.A N GLN 381.A O no hydrogen 2.939 N/A SER 386.A N LEU 382.A O no hydrogen 3.035 N/A SER 386.A OG LYS 383.A O no hydrogen 2.724 N/A THR 387.A N LYS 383.A O no hydrogen 3.277 N/A THR 387.A N ALA 384.A O no hydrogen 3.193 N/A THR 387.A OG1 ALA 384.A O no hydrogen 2.733 N/A ARG 388.A N ILE 385.A O no hydrogen 3.113 N/A ARG 388.A NE SER 392.A OG no hydrogen 3.292 N/A ARG 388.A NH1 GLU 398.A OE2 no hydrogen 3.031 N/A ARG 388.A NH2 GLU 393.A O no hydrogen 2.951 N/A ARG 388.A NH2 GLU 398.A OE1 no hydrogen 2.792 N/A ARG 388.A NH2 GLU 398.A OE2 no hydrogen 3.481 N/A LEU 391.A N ASP 389.A OD2 no hydrogen 3.001 N/A SER 392.A N ASP 389.A O no hydrogen 3.201 N/A THR 395.A N GLU 398.A OE1 no hydrogen 3.150 N/A GLU 398.A N THR 395.A OG1 no hydrogen 3.203 N/A LYS 399.A N THR 395.A O no hydrogen 2.764 N/A LYS 399.A NZ LEU 421.A O no hydrogen 3.555 N/A ASP 400.A N GLU 396.A O no hydrogen 2.941 N/A PHE 401.A N GLN 397.A O no hydrogen 2.847 N/A LEU 402.A N GLU 398.A O no hydrogen 2.734 N/A TRP 403.A N LYS 399.A O no hydrogen 3.000 N/A SER 404.A N ASP 400.A O no hydrogen 2.999 N/A SER 404.A OG ASP 400.A O no hydrogen 3.201 N/A SER 404.A OG PHE 401.A O no hydrogen 2.769 N/A HIS 405.A N PHE 401.A O no hydrogen 3.194 N/A HIS 405.A N LEU 402.A O no hydrogen 3.219 N/A ARG 406.A N TRP 403.A O no hydrogen 3.230 N/A ARG 406.A NH1 TRP 403.A O no hydrogen 2.811 N/A ARG 406.A NH2 GLU 354.A OE1 no hydrogen 2.852 N/A ARG 406.A NH2 GLN 433.A OE1 no hydrogen 2.875 N/A TYR 408.A N HIS 405.A O no hydrogen 3.152 N/A CYS 409.A N HIS 405.A O no hydrogen 3.188 N/A CYS 409.A SG LEU 402.A O no hydrogen 3.991 N/A CYS 409.A SG HIS 405.A O no hydrogen 3.377 N/A THR 411.A N TYR 408.A O no hydrogen 2.843 N/A THR 411.A OG1 TYR 408.A O no hydrogen 2.701 N/A ILE 412.A N CYS 409.A O no hydrogen 2.994 N/A GLU 414.A N GLU 414.A OE1 no hydrogen 2.893 N/A ILE 415.A N ILE 412.A O no hydrogen 3.129 N/A LEU 416.A N PRO 413.A O no hydrogen 3.165 N/A LYS 418.A NZ ARG 388.A O no hydrogen 3.069 N/A LEU 419.A N ILE 415.A O no hydrogen 3.154 N/A LEU 420.A N LEU 416.A O no hydrogen 2.859 N/A LEU 421.A N PRO 417.A O no hydrogen 3.249 N/A LEU 421.A N LYS 418.A O no hydrogen 3.107 N/A SER 422.A N LEU 419.A O no hydrogen 3.212 N/A SER 422.A OG LYS 418.A O no hydrogen 2.907 N/A LYS 424.A N GLU 430.A OE1 no hydrogen 2.976 N/A TRP 425.A NE1 LEU 420.A O no hydrogen 2.908 N/A ASN 426.A ND2 LEU 225.A O no hydrogen 2.801 N/A SER 427.A N LYS 424.A O no hydrogen 2.892 N/A ARG 428.A N ASP 253.A OD1 no hydrogen 3.123 N/A GLU 430.A N SER 427.A O no hydrogen 3.052 N/A GLU 430.A N SER 427.A OG no hydrogen 3.270 N/A VAL 431.A N SER 427.A O no hydrogen 2.941 N/A ALA 432.A N ARG 428.A O no hydrogen 3.118 N/A GLN 433.A NE2 GLU 354.A OE2 no hydrogen 3.188 N/A GLN 433.A NE2 ASP 429.A O no hydrogen 3.105 N/A MET 434.A N GLU 430.A O no hydrogen 2.860 N/A TYR 435.A N VAL 431.A O no hydrogen 2.907 N/A TYR 435.A OH ASP 459.A OD1 no hydrogen 2.611 N/A CYS 436.A N ALA 432.A O no hydrogen 3.437 N/A CYS 436.A SG ALA 432.A O no hydrogen 3.493 N/A LEU 437.A N GLN 433.A O no hydrogen 3.199 N/A VAL 438.A N MET 434.A O no hydrogen 2.910 N/A LYS 439.A N TYR 435.A O no hydrogen 2.815 N/A TRP 441.A N VAL 438.A O no hydrogen 3.103 N/A TRP 441.A NE1 PRO 413.A O no hydrogen 2.998 N/A LYS 445.A N GLN 448.A OE1 no hydrogen 3.208 N/A GLN 448.A N LYS 445.A O no hydrogen 2.856 N/A ALA 449.A N LYS 445.A O no hydrogen 2.930 N/A MET 450.A N PRO 446.A O no hydrogen 2.817 N/A LEU 452.A N ALA 449.A O no hydrogen 3.122 N/A LEU 453.A N MET 450.A O no hydrogen 3.019 N/A ASP 454.A N GLU 451.A O no hydrogen 2.996 N/A ASN 456.A N ASP 454.A OD1 no hydrogen 2.870 N/A TYR 457.A N ASP 454.A O no hydrogen 3.345 N/A TYR 457.A OH PRO 417.A O no hydrogen 2.971 N/A VAL 462.A N ASP 459.A OD2 no hydrogen 3.262 N/A ARG 463.A N ASP 459.A O no hydrogen 2.981 N/A ARG 463.A NE GLU 493.A OE2 no hydrogen 2.763 N/A ARG 463.A NH1 LEU 453.A O no hydrogen 2.848 N/A ARG 463.A NH1 ASP 454.A O no hydrogen 3.094 N/A ARG 463.A NH1 TYR 457.A O no hydrogen 3.009 N/A ARG 463.A NH2 LEU 453.A O no hydrogen 2.744 N/A ARG 463.A NH2 GLU 493.A OE2 no hydrogen 3.191 N/A GLY 464.A N PRO 460.A O no hydrogen 2.794 N/A PHE 465.A N MET 461.A O no hydrogen 3.217 N/A ALA 466.A N VAL 462.A O no hydrogen 3.110 N/A VAL 467.A N ARG 463.A O no hydrogen 2.851 N/A ARG 468.A N GLY 464.A O no hydrogen 2.957 N/A CYS 469.A N PHE 465.A O no hydrogen 3.067 N/A CYS 469.A SG ILE 444.A O no hydrogen 4.018 N/A CYS 469.A SG PHE 465.A O no hydrogen 3.322 N/A LEU 470.A N ALA 466.A O no hydrogen 3.167 N/A LEU 470.A N VAL 467.A O no hydrogen 2.808 N/A GLU 471.A N VAL 467.A O no hydrogen 2.887 N/A LYS 472.A N ARG 468.A O no hydrogen 3.070 N/A TYR 473.A N CYS 469.A O no hydrogen 3.170 N/A LEU 474.A N LEU 470.A O no hydrogen 2.879 N/A THR 475.A OG1 SER 67.A OG no hydrogen 2.632 N/A LYS 478.A NZ GLN 481.A OE1 no hydrogen 3.158 N/A LEU 479.A N THR 475.A O no hydrogen 2.860 N/A SER 480.A N ASP 476.A O no hydrogen 2.924 N/A SER 480.A OG ASP 476.A O no hydrogen 3.348 N/A GLN 481.A N ASP 477.A O no hydrogen 3.147 N/A TYR 482.A N LYS 478.A O no hydrogen 3.043 N/A GLN 485.A N GLN 485.A OE1 no hydrogen 2.785 N/A GLN 485.A NE2 GLN 666.A OE1 no hydrogen 2.810 N/A GLN 485.A NE2 LEU 838.A O no hydrogen 3.691 N/A LEU 486.A N TYR 482.A O no hydrogen 3.136 N/A VAL 487.A N LEU 483.A O no hydrogen 2.808 N/A GLN 488.A N ILE 484.A O no hydrogen 3.059 N/A GLN 488.A NE2 GLU 525.A OE2 no hydrogen 2.689 N/A VAL 489.A N GLN 485.A O no hydrogen 2.996 N/A LEU 490.A N VAL 487.A O no hydrogen 3.367 N/A LYS 491.A N GLN 488.A O no hydrogen 3.147 N/A LYS 491.A NZ GLN 488.A OE1 no hydrogen 2.755 N/A LYS 491.A NZ GLU 525.A OE1 no hydrogen 2.682 N/A LYS 491.A NZ GLU 525.A OE2 no hydrogen 3.393 N/A TYR 492.A N VAL 489.A O no hydrogen 3.068 N/A GLU 493.A N LEU 490.A O no hydrogen 3.017 N/A GLN 494.A NE2 ASN 279.A OD1 no hydrogen 2.767 N/A TYR 495.A OH PHE 281.A O no hydrogen 2.671 N/A LEU 496.A N GLU 29.A OE2 no hydrogen 3.023 N/A ASN 498.A ND2 TYR 495.A O no hydrogen 2.775 N/A VAL 501.A N ASN 498.A OD1 no hydrogen 2.807 N/A ARG 502.A N ASN 498.A O no hydrogen 3.424 N/A ARG 502.A NE ASP 497.A OD1 no hydrogen 2.766 N/A ARG 502.A NH1 ASN 39.A OD1 no hydrogen 2.956 N/A ARG 502.A NH2 ASN 36.A O no hydrogen 3.046 N/A ARG 502.A NH2 ASP 497.A OD1 no hydrogen 3.423 N/A ARG 502.A NH2 ASP 497.A OD2 no hydrogen 3.226 N/A PHE 503.A N LEU 499.A O no hydrogen 3.277 N/A PHE 503.A N LEU 500.A O no hydrogen 3.224 N/A LEU 504.A N LEU 500.A O no hydrogen 2.996 N/A LEU 505.A N VAL 501.A O no hydrogen 2.909 N/A LYS 506.A N ARG 502.A O no hydrogen 3.197 N/A LYS 507.A N PHE 503.A O no hydrogen 3.070 N/A LYS 507.A NZ ASP 476.A OD1 no hydrogen 2.944 N/A ALA 508.A N LEU 504.A O no hydrogen 2.841 N/A LEU 509.A N LEU 505.A O no hydrogen 3.003 N/A THR 510.A N LYS 507.A O no hydrogen 3.340 N/A ASN 511.A N LYS 507.A O no hydrogen 2.989 N/A ASN 511.A ND2 ASP 476.A OD2 no hydrogen 2.814 N/A GLN 512.A N TYR 59.A O no hydrogen 2.912 N/A ARG 513.A N ASN 511.A OD1 no hydrogen 2.990 N/A ARG 513.A NE SER 480.A OG no hydrogen 3.211 N/A ARG 513.A NH2 SER 480.A OG no hydrogen 2.865 N/A ILE 514.A N ASN 511.A OD1 no hydrogen 3.160 N/A GLY 515.A N ASN 511.A O no hydrogen 2.885 N/A HIS 516.A N GLN 512.A O no hydrogen 2.943 N/A HIS 516.A NE2 PRO 605.A O no hydrogen 2.698 N/A PHE 518.A N ILE 514.A O no hydrogen 2.855 N/A PHE 519.A N GLY 515.A O no hydrogen 2.908 N/A TRP 520.A N HIS 516.A O no hydrogen 3.214 N/A TRP 520.A NE1 GLN 556.A OE1 no hydrogen 2.993 N/A HIS 521.A N PHE 517.A O no hydrogen 2.875 N/A LEU 522.A N PHE 518.A O no hydrogen 3.204 N/A LYS 523.A N PHE 519.A O no hydrogen 2.923 N/A LYS 523.A NZ ALA 14.A O no hydrogen 2.768 N/A SER 524.A N TRP 520.A O no hydrogen 3.036 N/A SER 524.A OG TRP 520.A O no hydrogen 3.340 N/A SER 524.A OG HIS 521.A O no hydrogen 2.908 N/A GLU 525.A N LEU 522.A O no hydrogen 3.345 N/A MET 526.A N LYS 523.A O no hydrogen 3.095 N/A ASN 528.A N GLU 525.A O no hydrogen 3.088 N/A THR 530.A N ASN 528.A OD1 no hydrogen 3.313 N/A THR 530.A OG1 ASN 528.A OD1 no hydrogen 2.992 N/A VAL 531.A N ASN 528.A O no hydrogen 2.962 N/A SER 532.A N ASN 528.A O no hydrogen 2.797 N/A SER 532.A OG ASN 528.A O no hydrogen 3.323 N/A ARG 534.A NH1 TYR 495.A O no hydrogen 3.027 N/A PHE 535.A N VAL 531.A O no hydrogen 2.784 N/A GLY 536.A N SER 532.A O no hydrogen 2.820 N/A LEU 537.A N GLN 533.A O no hydrogen 3.138 N/A LEU 538.A N ARG 534.A O no hydrogen 3.224 N/A LEU 539.A N PHE 535.A O no hydrogen 2.854 N/A GLU 540.A N GLY 536.A O no hydrogen 2.850 N/A SER 541.A N LEU 537.A O no hydrogen 3.151 N/A SER 541.A OG LEU 538.A O no hydrogen 2.683 N/A TYR 542.A N LEU 538.A O no hydrogen 2.984 N/A CYS 543.A N LEU 539.A O no hydrogen 2.898 N/A CYS 543.A SG LEU 539.A O no hydrogen 3.301 N/A ARG 544.A N GLU 540.A O no hydrogen 3.056 N/A ARG 544.A NH1 ASN 8.A OD1 no hydrogen 3.059 N/A ARG 544.A NH2 ASN 8.A OD1 no hydrogen 2.785 N/A ARG 544.A NH2 GLU 540.A OE2 no hydrogen 2.936 N/A ALA 545.A N TYR 542.A O no hydrogen 3.305 N/A CYS 546.A SG GLY 547.A O no hydrogen 3.977 N/A MET 548.A N ASP 179.A OD2 no hydrogen 3.350 N/A TYR 549.A OH HIS 516.A ND1 no hydrogen 2.746 N/A LEU 550.A N GLY 547.A O no hydrogen 3.206 N/A LYS 551.A N MET 548.A O no hydrogen 3.148 N/A LYS 551.A NZ GLU 10.A OE2 no hydrogen 2.780 N/A LEU 553.A N TYR 549.A O no hydrogen 2.752 N/A ASN 554.A N LEU 550.A O no hydrogen 2.814 N/A ASN 554.A ND2 GLU 10.A O no hydrogen 3.003 N/A ARG 555.A N LYS 551.A O no hydrogen 3.346 N/A ARG 555.A NE GLY 601.A O no hydrogen 3.400 N/A ARG 555.A NH2 ASP 597.A O no hydrogen 3.460 N/A ARG 555.A NH2 GLY 601.A O no hydrogen 2.935 N/A GLN 556.A N HIS 552.A O no hydrogen 3.340 N/A GLN 556.A NE2 TYR 549.A OH no hydrogen 3.076 N/A GLN 556.A NE2 HIS 552.A O no hydrogen 3.459 N/A VAL 557.A N LEU 553.A O no hydrogen 2.848 N/A GLU 558.A N ASN 554.A O no hydrogen 3.006 N/A ALA 559.A N ARG 555.A O no hydrogen 3.028 N/A MET 560.A N GLN 556.A O no hydrogen 3.076 N/A GLU 561.A N VAL 557.A O no hydrogen 2.957 N/A LYS 562.A N GLU 558.A O no hydrogen 3.055 N/A LYS 562.A NZ GLU 558.A OE2 no hydrogen 3.441 N/A LEU 563.A N ALA 559.A O no hydrogen 3.134 N/A ILE 564.A N MET 560.A O no hydrogen 2.819 N/A ASN 565.A N GLU 561.A O no hydrogen 2.960 N/A LEU 566.A N LYS 562.A O no hydrogen 2.967 N/A THR 567.A N LEU 563.A O no hydrogen 3.048 N/A THR 567.A OG1 LEU 563.A O no hydrogen 2.778 N/A THR 567.A OG1 ILE 564.A O no hydrogen 3.258 N/A ASP 568.A N ILE 564.A O no hydrogen 2.874 N/A ILE 569.A N ASN 565.A O no hydrogen 2.935 N/A LEU 570.A N LEU 566.A O no hydrogen 2.987 N/A LYS 571.A N THR 567.A O no hydrogen 3.049 N/A LYS 571.A NZ ASN 654.A O no hydrogen 3.106 N/A LYS 571.A NZ ASN 654.A OD1 no hydrogen 3.494 N/A GLN 572.A N ASP 568.A O no hydrogen 3.154 N/A GLU 573.A N ILE 569.A O no hydrogen 2.851 N/A GLU 577.A N LYS 574.A O no hydrogen 3.156 N/A VAL 581.A N THR 578.A OG1 no hydrogen 3.267 N/A GLN 582.A N THR 578.A O no hydrogen 2.987 N/A GLN 582.A NE2 LYS 574.A O no hydrogen 2.699 N/A MET 583.A N GLN 579.A O no hydrogen 2.743 N/A LYS 584.A N LYS 580.A O no hydrogen 3.032 N/A PHE 585.A N VAL 581.A O no hydrogen 3.148 N/A LEU 586.A N GLN 582.A O no hydrogen 2.943 N/A VAL 587.A N MET 583.A O no hydrogen 2.947 N/A GLU 588.A N LYS 584.A O no hydrogen 3.025 N/A GLN 589.A N PHE 585.A O no hydrogen 2.905 N/A MET 590.A N LEU 586.A O no hydrogen 2.910 N/A ARG 592.A N GLN 589.A O no hydrogen 3.295 N/A PHE 595.A N ARG 592.A O no hydrogen 3.167 N/A MET 596.A N ARG 592.A O no hydrogen 2.824 N/A LEU 599.A N PHE 595.A O no hydrogen 3.140 N/A LEU 599.A N MET 596.A O no hydrogen 3.393 N/A GLN 600.A N ASP 597.A O no hydrogen 3.389 N/A GLY 601.A N GLY 613.A O no hydrogen 3.170 N/A PHE 602.A N LEU 612.A O no hydrogen 2.999 N/A SER 604.A N HIS 610.A O no hydrogen 2.928 N/A ASN 607.A N SER 604.A O no hydrogen 3.139 N/A ALA 609.A N ASN 607.A OD1 no hydrogen 3.138 N/A HIS 610.A N ASN 607.A O no hydrogen 2.970 N/A LEU 612.A N PHE 602.A O no hydrogen 2.802 N/A GLY 613.A N GLU 635.A O no hydrogen 2.810 N/A LEU 615.A N GLN 600.A OE1 no hydrogen 3.247 N/A ARG 616.A N ASN 633.A O no hydrogen 2.807 N/A GLU 618.A N GLU 618.A OE1 no hydrogen 2.849 N/A GLU 619.A N ARG 616.A O no hydrogen 2.943 N/A CYS 620.A N LEU 617.A O no hydrogen 3.091 N/A CYS 620.A SG ARG 616.A O no hydrogen 3.327 N/A CYS 620.A SG ASN 633.A O no hydrogen 4.046 N/A ARG 621.A N TRP 631.A O no hydrogen 2.800 N/A ARG 621.A NH1 GLU 618.A O no hydrogen 2.940 N/A ARG 621.A NH1 CYS 620.A O no hydrogen 3.063 N/A ARG 621.A NH2 GLU 618.A O no hydrogen 3.307 N/A MET 623.A N PRO 629.A O no hydrogen 2.793 N/A LYS 627.A NZ GLY 655.A O no hydrogen 3.047 N/A LYS 627.A NZ ASP 656.A OD1 no hydrogen 2.776 N/A ARG 628.A N SER 625.A O no hydrogen 3.235 N/A LEU 630.A N PHE 652.A O no hydrogen 2.801 N/A TRP 631.A N ARG 621.A O no hydrogen 2.792 N/A TRP 631.A NE1 GLU 649.A OE1 no hydrogen 2.901 N/A LEU 632.A N ILE 650.A O no hydrogen 2.819 N/A ASN 633.A ND2 GLU 649.A OE1 no hydrogen 3.299 N/A TRP 634.A N ASN 648.A O no hydrogen 2.907 N/A TRP 634.A NE1 LEU 599.A O no hydrogen 2.763 N/A GLU 635.A N ASN 614.A O no hydrogen 2.947 N/A ASN 636.A N GLN 646.A O no hydrogen 2.877 N/A ASN 636.A ND2 GLY 135.A O no hydrogen 2.742 N/A ASN 636.A ND2 PHE 645.A O no hydrogen 3.113 N/A ASP 638.A N ASN 636.A OD1 no hydrogen 3.077 N/A MET 640.A N ASP 638.A OD2 no hydrogen 2.976 N/A SER 641.A N ASP 638.A O no hydrogen 3.176 N/A SER 641.A OG ASN 636.A O no hydrogen 3.433 N/A SER 641.A OG ASP 638.A O no hydrogen 2.951 N/A GLU 642.A N GLU 642.A OE1 no hydrogen 2.918 N/A LEU 643.A N MET 640.A O no hydrogen 2.976 N/A LEU 644.A N SER 641.A O no hydrogen 2.996 N/A ASN 648.A N TRP 634.A O no hydrogen 2.792 N/A ILE 650.A N LEU 632.A O no hydrogen 2.925 N/A ILE 651.A N ILE 699.A O no hydrogen 2.936 N/A PHE 652.A N LEU 630.A O no hydrogen 2.821 N/A LYS 653.A N GLY 697.A O no hydrogen 3.048 N/A LYS 653.A NZ ASP 656.A OD2 no hydrogen 2.771 N/A ASN 654.A ND2 THR 567.A OG1 no hydrogen 2.758 N/A ASN 654.A ND2 ASP 568.A OD1 no hydrogen 2.841 N/A GLY 655.A N CYS 695.A O no hydrogen 2.707 N/A ARG 659.A N ASP 657.A OD1 no hydrogen 3.411 N/A ARG 659.A NE ASP 657.A OD1 no hydrogen 2.850 N/A ARG 659.A NE ASP 657.A OD2 no hydrogen 3.334 N/A ARG 659.A NH2 ASP 657.A OD2 no hydrogen 2.837 N/A ARG 659.A NH2 GLY 846.A O no hydrogen 3.403 N/A GLN 660.A NE2 GLU 849.A OE1 no hydrogen 3.263 N/A MET 662.A N LEU 658.A O no hydrogen 3.133 N/A LEU 663.A N ARG 659.A O no hydrogen 3.228 N/A THR 664.A N GLN 660.A O no hydrogen 2.964 N/A THR 664.A OG1 GLN 660.A O no hydrogen 2.815 N/A LEU 665.A N ASP 661.A O no hydrogen 2.933 N/A GLN 666.A N MET 662.A O no hydrogen 2.953 N/A GLN 666.A NE2 GLN 481.A O no hydrogen 2.790 N/A GLN 666.A NE2 GLN 485.A OE1 no hydrogen 2.765 N/A ILE 667.A N LEU 663.A O no hydrogen 2.927 N/A ILE 668.A N THR 664.A O no hydrogen 2.796 N/A ARG 669.A N LEU 665.A O no hydrogen 3.206 N/A ILE 670.A N GLN 666.A O no hydrogen 3.093 N/A MET 671.A N ILE 667.A O no hydrogen 2.984 N/A GLU 672.A N ILE 668.A O no hydrogen 2.985 N/A ASN 673.A N ARG 669.A O no hydrogen 2.972 N/A ILE 674.A N ILE 670.A O no hydrogen 2.992 N/A TRP 675.A N MET 671.A O no hydrogen 2.942 N/A TRP 675.A NE1 ALA 824.A O no hydrogen 2.906 N/A GLN 676.A N GLU 672.A O no hydrogen 2.828 N/A GLN 676.A NE2 ASP 681.A OD1 no hydrogen 3.464 N/A ASN 677.A N ASN 673.A O no hydrogen 3.008 N/A GLN 678.A N ILE 674.A O no hydrogen 3.063 N/A GLN 678.A NE2 GLN 830.A OE1 no hydrogen 3.186 N/A GLY 679.A N GLN 676.A O no hydrogen 3.364 N/A LEU 682.A N LEU 680.A O no hydrogen 3.210 N/A MET 684.A N GLU 672.A OE2 no hydrogen 3.084 N/A LEU 685.A N TYR 747.A OH no hydrogen 2.864 N/A TYR 687.A N LEU 685.A O no hydrogen 2.957 N/A GLY 688.A N GLU 700.A OE1 no hydrogen 2.818 N/A CYS 689.A SG LEU 698.A O no hydrogen 4.040 N/A LEU 690.A N LEU 698.A O no hydrogen 2.922 N/A SER 691.A OG GLY 693.A O no hydrogen 3.308 N/A ILE 692.A N VAL 696.A O no hydrogen 2.886 N/A CYS 695.A SG ASP 694.A OD1 no hydrogen 3.851 N/A GLY 697.A N LYS 653.A O no hydrogen 3.066 N/A LEU 698.A N LEU 690.A O no hydrogen 2.809 N/A ILE 699.A N ILE 651.A O no hydrogen 2.875 N/A GLU 700.A N GLY 688.A O no hydrogen 2.886 N/A SER 705.A OG VAL 702.A O no hydrogen 2.802 N/A HIS 706.A N VAL 766.A O no hydrogen 2.929 N/A HIS 706.A NE2 ASP 768.A OD1 no hydrogen 2.979 N/A THR 707.A N GLN 710.A OE1 no hydrogen 2.793 N/A ILE 708.A N ILE 764.A O no hydrogen 3.074 N/A MET 709.A N ASN 761.A O no hydrogen 2.906 N/A GLN 710.A N THR 707.A OG1 no hydrogen 3.245 N/A ILE 711.A N THR 707.A O no hydrogen 3.456 N/A GLN 712.A N ILE 708.A O no hydrogen 3.080 N/A GLN 712.A NE2 ASP 796.A OD2 no hydrogen 2.809 N/A CYS 713.A N MET 709.A O no hydrogen 3.060 N/A CYS 713.A SG MET 709.A O no hydrogen 3.386 N/A LYS 714.A N GLN 710.A O no hydrogen 3.380 N/A HIS 718.A NE2 GLY 804.A O no hydrogen 3.106 N/A THR 719.A N ASN 716.A O no hydrogen 3.395 N/A THR 719.A OG1 ASN 716.A O no hydrogen 2.706 N/A HIS 721.A NE2 TYR 733.A OH no hydrogen 2.734 N/A GLN 722.A N HIS 718.A O no hydrogen 2.937 N/A TRP 723.A N THR 719.A O no hydrogen 2.898 N/A LEU 724.A N LEU 720.A O no hydrogen 3.010 N/A LYS 725.A N HIS 721.A O no hydrogen 2.809 N/A ASP 726.A N GLN 722.A O no hydrogen 2.857 N/A LYS 727.A N TRP 723.A O no hydrogen 3.002 N/A LYS 727.A NZ ASP 768.A OD1 no hydrogen 3.312 N/A ASN 728.A N LEU 724.A O no hydrogen 2.873 N/A ASN 728.A ND2 LEU 724.A O no hydrogen 3.269 N/A ASN 728.A ND2 ASP 768.A O no hydrogen 2.832 N/A TYR 733.A N GLY 730.A O no hydrogen 3.463 N/A TYR 733.A OH HIS 721.A NE2 no hydrogen 2.734 N/A ALA 736.A N ILE 732.A O no hydrogen 3.258 N/A ILE 737.A N TYR 733.A O no hydrogen 3.094 N/A ASP 738.A N ASP 734.A O no hydrogen 2.922 N/A LEU 739.A N ALA 735.A O no hydrogen 2.950 N/A PHE 740.A N ALA 736.A O no hydrogen 3.029 N/A THR 741.A N ILE 737.A O no hydrogen 2.995 N/A ARG 742.A N ASP 738.A O no hydrogen 3.099 N/A ARG 742.A NE ASP 738.A OD1 no hydrogen 2.941 N/A ARG 742.A NE ASP 738.A OD2 no hydrogen 2.867 N/A ARG 742.A NH1 ASP 681.A O no hydrogen 3.440 N/A ARG 742.A NH2 ASP 738.A OD1 no hydrogen 3.440 N/A SER 743.A N LEU 739.A O no hydrogen 3.048 N/A SER 743.A OG LEU 739.A O no hydrogen 2.733 N/A SER 743.A OG PHE 740.A O no hydrogen 3.113 N/A SER 743.A OG LEU 772.A O no hydrogen 3.482 N/A CYS 744.A N PHE 740.A O no hydrogen 2.860 N/A ALA 745.A N THR 741.A O no hydrogen 2.894 N/A GLY 746.A N ARG 742.A O no hydrogen 3.162 N/A TYR 747.A N SER 743.A O no hydrogen 3.063 N/A CYS 748.A N CYS 744.A O no hydrogen 2.938 N/A CYS 748.A SG CYS 744.A O no hydrogen 3.199 N/A VAL 749.A N ALA 745.A O no hydrogen 3.198 N/A ALA 750.A N GLY 746.A O no hydrogen 2.873 N/A THR 751.A N TYR 747.A O no hydrogen 2.948 N/A THR 751.A OG1 TYR 747.A O no hydrogen 2.563 N/A THR 751.A OG1 CYS 748.A O no hydrogen 3.265 N/A PHE 752.A N CYS 748.A O no hydrogen 3.025 N/A ILE 753.A N VAL 749.A O no hydrogen 2.861 N/A LEU 754.A N ALA 750.A O no hydrogen 2.977 N/A GLY 755.A N THR 751.A O no hydrogen 2.941 N/A ILE 756.A N THR 751.A O no hydrogen 3.460 N/A GLY 757.A N HIS 779.A O no hydrogen 3.156 N/A ARG 759.A N PRO 790.A O no hydrogen 3.101 N/A ARG 759.A NE GLY 757.A O no hydrogen 3.006 N/A ARG 759.A NH1 ILE 775.A O no hydrogen 2.674 N/A ARG 759.A NH2 GLY 757.A O no hydrogen 2.946 N/A ARG 759.A NH2 ASP 776.A O no hydrogen 2.940 N/A SER 762.A N HIS 760.A ND1 no hydrogen 3.386 N/A SER 762.A OG HIS 760.A ND1 no hydrogen 2.945 N/A ASN 763.A N HIS 760.A O no hydrogen 3.006 N/A MET 765.A N PHE 773.A O no hydrogen 2.823 N/A VAL 766.A N HIS 706.A O no hydrogen 2.787 N/A LYS 767.A N GLN 771.A O no hydrogen 2.778 N/A LYS 767.A NZ ARG 703.A O no hydrogen 3.191 N/A ASP 768.A N ASN 704.A O no hydrogen 3.222 N/A GLY 770.A N LYS 767.A O no hydrogen 3.012 N/A GLN 771.A N ASP 769.A OD1 no hydrogen 3.096 N/A LEU 772.A N SER 743.A OG no hydrogen 2.955 N/A PHE 773.A N MET 765.A O no hydrogen 2.811 N/A ILE 775.A N ASN 763.A O no hydrogen 3.136 N/A ASP 776.A N TYR 687.A OH no hydrogen 3.366 N/A PHE 777.A N ASP 661.A OD2 no hydrogen 2.723 N/A HIS 779.A ND1 GLU 849.A OE2 no hydrogen 2.780 N/A PHE 780.A N GLU 849.A OE1 no hydrogen 2.798 N/A LEU 781.A N LEU 754.A O no hydrogen 2.797 N/A LYS 784.A NZ ASP 758.A OD2 no hydrogen 2.805 N/A LYS 785.A N ASP 782.A O no hydrogen 2.964 N/A LYS 785.A NZ ASP 855.A OD1 no hydrogen 3.233 N/A ARG 788.A N TYR 858.A OH no hydrogen 3.272 N/A ARG 788.A NH1 ILE 756.A O no hydrogen 3.235 N/A ARG 788.A NH2 ILE 756.A O no hydrogen 3.088 N/A LEU 793.A N HIS 884.A NE2 no hydrogen 2.842 N/A LEU 798.A N THR 794.A O no hydrogen 3.216 N/A ILE 799.A N GLN 795.A O no hydrogen 2.793 N/A VAL 800.A N ASP 796.A O no hydrogen 3.328 N/A ILE 801.A N PHE 797.A O no hydrogen 3.204 N/A SER 802.A N LEU 798.A O no hydrogen 2.946 N/A SER 802.A OG LEU 798.A O no hydrogen 3.444 N/A SER 802.A OG CYS 808.A O no hydrogen 3.115 N/A SER 802.A OG THR 811.A OG1 no hydrogen 2.692 N/A LYS 803.A N VAL 800.A O no hydrogen 3.093 N/A GLY 804.A N ILE 799.A O no hydrogen 2.731 N/A ALA 805.A N SER 802.A O no hydrogen 3.252 N/A CYS 808.A SG GLN 795.A OE1 no hydrogen 3.419 N/A CYS 808.A SG GLN 806.A O no hydrogen 3.794 N/A LYS 810.A N GLU 807.A O no hydrogen 3.155 N/A THR 811.A OG1 SER 802.A OG no hydrogen 2.692 N/A THR 811.A OG1 CYS 808.A O no hydrogen 3.031 N/A PHE 814.A N THR 811.A OG1 no hydrogen 3.387 N/A GLU 815.A N THR 811.A O no hydrogen 3.443 N/A ARG 816.A N ARG 812.A O no hydrogen 3.080 N/A PHE 817.A N GLU 813.A O no hydrogen 3.057 N/A GLN 818.A N PHE 814.A O no hydrogen 2.908 N/A GLN 818.A NE2 GLY 887.A O no hydrogen 3.177 N/A GLU 819.A N GLU 815.A O no hydrogen 3.222 N/A MET 820.A N ARG 816.A O no hydrogen 3.300 N/A CYS 821.A N PHE 817.A O no hydrogen 3.161 N/A CYS 821.A SG PHE 817.A O no hydrogen 3.534 N/A TYR 822.A N GLN 818.A O no hydrogen 2.937 N/A LYS 823.A N GLU 819.A O no hydrogen 2.999 N/A ALA 824.A N MET 820.A O no hydrogen 3.023 N/A TYR 825.A N CYS 821.A O no hydrogen 2.918 N/A TYR 825.A OH THR 862.A O no hydrogen 2.672 N/A LEU 826.A N TYR 822.A O no hydrogen 2.970 N/A ALA 827.A N LYS 823.A O no hydrogen 3.081 N/A ILE 828.A N ALA 824.A O no hydrogen 3.325 N/A ARG 829.A N TYR 825.A O no hydrogen 3.104 N/A ARG 829.A NH1 LEU 863.A O no hydrogen 3.475 N/A GLN 830.A N LEU 826.A O no hydrogen 3.143 N/A HIS 831.A N ILE 828.A O no hydrogen 2.834 N/A HIS 831.A ND1 ALA 827.A O no hydrogen 2.814 N/A ALA 832.A N ARG 829.A O no hydrogen 3.351 N/A LEU 834.A N HIS 831.A O no hydrogen 3.106 N/A PHE 835.A N HIS 831.A O no hydrogen 3.504 N/A ILE 836.A N ALA 832.A O no hydrogen 2.833 N/A ASN 837.A N ASN 833.A O no hydrogen 2.848 N/A ASN 837.A ND2 GLU 451.A OE1 no hydrogen 3.509 N/A LEU 838.A N LEU 834.A O no hydrogen 2.880 N/A PHE 839.A N PHE 835.A O no hydrogen 3.120 N/A SER 840.A N ILE 836.A O no hydrogen 2.942 N/A SER 840.A OG ILE 836.A O no hydrogen 2.654 N/A MET 841.A N ASN 837.A O no hydrogen 2.954 N/A MET 842.A N PHE 839.A O no hydrogen 3.092 N/A LEU 843.A N SER 840.A O no hydrogen 3.206 N/A SER 845.A N MET 842.A O no hydrogen 3.301 N/A GLU 849.A N GLN 660.A OE1 no hydrogen 3.064 N/A LEU 850.A N MET 847.A O no hydrogen 3.140 N/A GLN 851.A N ASP 855.A OD2 no hydrogen 2.713 N/A GLN 851.A NE2 MET 847.A O no hydrogen 3.080 N/A SER 852.A N ASP 855.A OD2 no hydrogen 3.114 N/A SER 852.A OG GLN 851.A O no hydrogen 3.267 N/A ASP 855.A N SER 852.A O no hydrogen 3.031 N/A ALA 857.A N PHE 853.A O no hydrogen 3.020 N/A TYR 858.A N ASP 855.A O no hydrogen 3.447 N/A ILE 859.A N ILE 856.A O no hydrogen 2.927 N/A ARG 860.A NE ASP 389.A OD1 no hydrogen 3.035 N/A ARG 860.A NE ASP 389.A OD2 no hydrogen 3.081 N/A ARG 860.A NH1 ASP 866.A OD1 no hydrogen 3.109 N/A ARG 860.A NH1 ASP 866.A OD2 no hydrogen 2.994 N/A ARG 860.A NH2 ASP 389.A OD1 no hydrogen 3.224 N/A ARG 860.A NH2 ASP 866.A OD1 no hydrogen 2.808 N/A LYS 861.A N ALA 857.A O no hydrogen 3.198 N/A LYS 861.A N TYR 858.A O no hydrogen 3.234 N/A THR 862.A N TYR 858.A O no hydrogen 2.993 N/A THR 862.A OG1 ILE 753.A O no hydrogen 2.789 N/A THR 862.A OG1 TYR 858.A O no hydrogen 3.303 N/A THR 862.A OG1 ILE 859.A O no hydrogen 3.426 N/A LEU 863.A N ILE 859.A O no hydrogen 2.843 N/A ALA 864.A N LYS 861.A O no hydrogen 2.929 N/A LEU 865.A N ARG 860.A O no hydrogen 3.137 N/A GLU 871.A N THR 868.A OG1 no hydrogen 3.341 N/A ALA 872.A N THR 868.A O no hydrogen 2.876 N/A LEU 873.A N GLU 869.A O no hydrogen 3.114 N/A GLU 874.A N GLN 870.A O no hydrogen 3.091 N/A TYR 875.A N GLU 871.A O no hydrogen 2.884 N/A TYR 875.A OH GLU 787.A OE1 no hydrogen 2.925 N/A PHE 876.A N ALA 872.A O no hydrogen 2.990 N/A MET 877.A N LEU 873.A O no hydrogen 3.066 N/A LYS 878.A N GLU 874.A O no hydrogen 3.058 N/A GLN 879.A N TYR 875.A O no hydrogen 3.112 N/A MET 880.A N PHE 876.A O no hydrogen 2.988 N/A ASN 881.A N MET 877.A O no hydrogen 2.782 N/A ASN 881.A ND2 MET 877.A O no hydrogen 3.047 N/A ASP 882.A N LYS 878.A O no hydrogen 2.802 N/A ALA 883.A N GLN 879.A O no hydrogen 3.344 N/A HIS 884.A N MET 880.A O no hydrogen 3.247 N/A HIS 884.A ND1 MET 880.A O no hydrogen 2.718 N/A HIS 885.A N ASP 882.A O no hydrogen 3.351 N/A