Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 52.A O no hydrogen 3.095 N/A LEU 4.A N LYS 54.A O no hydrogen 2.886 N/A ASP 6.A N ASN 60.A OD1 no hydrogen 2.738 N/A SER 8.A N THR 5.A OG1 no hydrogen 3.258 N/A SER 8.A OG ASP 12.A OD2 no hydrogen 3.038 N/A THR 11.A OG1 SER 8.A O no hydrogen 3.402 N/A ASP 12.A N SER 8.A O no hydrogen 3.077 N/A VAL 13.A N PHE 9.A O no hydrogen 3.066 N/A LEU 14.A N PHE 9.A O no hydrogen 3.459 N/A LYS 15.A N ASP 10.A O no hydrogen 3.105 N/A LYS 15.A N THR 11.A O no hydrogen 3.279 N/A ILE 20.A N PHE 78.A O no hydrogen 2.855 N/A LEU 21.A N THR 51.A O no hydrogen 2.810 N/A VAL 22.A N LEU 76.A O no hydrogen 2.506 N/A ASP 23.A N ALA 53.A O no hydrogen 2.791 N/A PHE 24.A N THR 74.A O no hydrogen 2.937 N/A TRP 25.A N LEU 55.A O no hydrogen 3.166 N/A GLU 27.A N ASP 58.A OD2 no hydrogen 3.304 N/A CYS 29.A SG ILE 72.A O no hydrogen 3.820 N/A CYS 32.A N CYS 29.A O no hydrogen 3.247 N/A LYS 33.A N CYS 29.A O no hydrogen 3.480 N/A LYS 33.A NZ GLU 27.A O no hydrogen 2.429 N/A MET 34.A N GLY 30.A O no hydrogen 3.103 N/A ILE 35.A N PRO 31.A O no hydrogen 3.220 N/A LEU 39.A N ILE 35.A O no hydrogen 2.964 N/A ASP 40.A N ALA 36.A O no hydrogen 3.161 N/A GLU 41.A N PRO 37.A O no hydrogen 3.321 N/A ILE 42.A N ILE 38.A O no hydrogen 3.027 N/A ALA 43.A N LEU 39.A O no hydrogen 3.029 N/A ASP 44.A N ASP 40.A O no hydrogen 3.365 N/A GLU 45.A N GLU 41.A O no hydrogen 3.009 N/A TYR 46.A N ILE 42.A O no hydrogen 2.880 N/A TYR 46.A OH ASP 101.A OD1 no hydrogen 2.516 N/A GLN 47.A N ASP 44.A O no hydrogen 3.426 N/A LYS 49.A N TYR 46.A O no hydrogen 3.057 N/A LEU 50.A N TYR 46.A O no hydrogen 3.206 N/A THR 51.A N ALA 19.A O no hydrogen 2.971 N/A ALA 53.A N LEU 21.A O no hydrogen 2.904 N/A LYS 54.A N ILE 2.A O no hydrogen 3.079 N/A LEU 55.A N ASP 23.A O no hydrogen 2.958 N/A ILE 57.A N TRP 25.A O no hydrogen 2.877 N/A ASP 58.A N ASN 56.A OD1 no hydrogen 2.658 N/A GLN 59.A N ASN 56.A OD1 no hydrogen 3.286 N/A ASN 60.A N ASN 56.A O no hydrogen 3.235 N/A ASN 60.A ND2 ASN 56.A O no hydrogen 3.101 N/A LYS 66.A N THR 63.A O no hydrogen 3.226 N/A TYR 67.A N ALA 64.A O no hydrogen 3.023 N/A GLY 68.A N PRO 65.A O no hydrogen 3.459 N/A ILE 69.A N ALA 64.A O no hydrogen 3.348 N/A ARG 70.A NH2 GLY 68.A O no hydrogen 3.221 N/A THR 74.A N PHE 24.A O no hydrogen 3.200 N/A THR 74.A OG1 GLY 71.A O no hydrogen 2.564 N/A LEU 75.A N LYS 87.A O no hydrogen 2.671 N/A LEU 76.A N VAL 22.A O no hydrogen 2.739 N/A LEU 77.A N ALA 85.A O no hydrogen 3.013 N/A PHE 78.A N ILE 20.A O no hydrogen 2.597 N/A LYS 79.A N GLU 82.A O no hydrogen 2.755 N/A LYS 79.A NZ ASN 103.A O no hydrogen 2.875 N/A GLU 82.A N LYS 79.A O no hydrogen 3.304 N/A ALA 84.A N LEU 77.A O no hydrogen 2.786 N/A LYS 87.A N LEU 75.A O no hydrogen 2.915 N/A GLY 89.A N PRO 73.A O no hydrogen 2.857 N/A LEU 91.A N GLY 89.A O no hydrogen 2.879 N/A SER 92.A N GLN 95.A OE1 no hydrogen 3.001 N/A SER 92.A OG GLN 95.A OE1 no hydrogen 3.213 N/A LYS 93.A NZ GLU 41.A OE1 no hydrogen 2.409 N/A GLN 95.A N SER 92.A OG no hydrogen 3.254 N/A LEU 96.A N SER 92.A O no hydrogen 2.989 N/A LYS 97.A N LYS 93.A O no hydrogen 2.981 N/A GLU 98.A N GLY 94.A O no hydrogen 2.984 N/A PHE 99.A N GLN 95.A O no hydrogen 2.916 N/A LEU 100.A N LEU 96.A O no hydrogen 2.762 N/A ASP 101.A N LYS 97.A O no hydrogen 2.845 N/A ALA 102.A N GLU 98.A O no hydrogen 3.149 N/A ASN 103.A N LEU 100.A O no hydrogen 2.988 N/A ASN 103.A ND2 PHE 99.A O no hydrogen 2.772 N/A LEU 104.A N LEU 100.A O no hydrogen 2.860 N/A GLY 106.A N ASP 614.A OD2 no hydrogen 3.271 N/A SER 107.A OG ASP 101.A O no hydrogen 2.831 N/A SER 107.A OG LEU 104.A O no hydrogen 3.385 N/A SER 112.A N SER 109.A O no hydrogen 3.107 N/A SER 112.A OG SER 109.A O no hydrogen 2.917 N/A SER 112.A OG TYR 114.A O no hydrogen 3.273 N/A TYR 114.A OH THR 612.A O no hydrogen 2.705 N/A LYS 117.A N MET 151.A O no hydrogen 3.057 N/A LYS 117.A NZ TRP 153.A O no hydrogen 3.066 N/A ARG 118.A NH1 GLU 519.A OE2 no hydrogen 2.614 N/A ARG 118.A NH2 GLU 519.A OE1 no hydrogen 2.819 N/A ARG 118.A NH2 GLU 519.A OE2 no hydrogen 3.310 N/A SER 120.A OG HIS 498.A O no hydrogen 2.784 N/A HIS 122.A ND1 ASP 123.A OD2 no hydrogen 2.887 N/A ASP 123.A N HIS 488.A ND1 no hydrogen 2.917 N/A SER 125.A N PHE 138.A O no hydrogen 2.878 N/A SER 125.A OG PRO 216.A O no hydrogen 2.796 N/A ILE 126.A N SER 474.A OG no hydrogen 2.885 N/A VAL 127.A N TYR 136.A O no hydrogen 2.883 N/A ASP 129.A N THR 134.A O no hydrogen 2.867 N/A SER 131.A N ASP 129.A OD1 no hydrogen 2.972 N/A SER 131.A OG ASP 129.A OD1 no hydrogen 2.709 N/A SER 131.A OG ASP 129.A OD2 no hydrogen 3.399 N/A SER 132.A N ASP 129.A O no hydrogen 3.309 N/A SER 132.A OG THR 134.A OG1 no hydrogen 3.214 N/A THR 134.A N ASP 129.A O no hydrogen 3.316 N/A THR 134.A OG1 SER 132.A O no hydrogen 3.078 N/A THR 134.A OG1 SER 132.A OG no hydrogen 3.214 N/A TYR 135.A N THR 147.A O no hydrogen 2.850 N/A TYR 136.A N VAL 127.A O no hydrogen 2.877 N/A TYR 136.A OH GLU 251.A OE1 no hydrogen 2.672 N/A ILE 137.A N ALA 145.A O no hydrogen 2.889 N/A PHE 138.A N SER 125.A O no hydrogen 3.030 N/A GLY 139.A N ALA 143.A O no hydrogen 2.836 N/A SER 140.A N HIS 122.A O no hydrogen 2.865 N/A SER 140.A OG ASP 123.A OD2 no hydrogen 2.584 N/A HIS 141.A N MET 213.A O no hydrogen 2.840 N/A ARG 142.A NH1 ASN 170.A OD1 no hydrogen 2.960 N/A ARG 142.A NH2 ALA 158.A O no hydrogen 2.966 N/A ALA 143.A N SER 140.A O no hydrogen 3.181 N/A ALA 145.A N ILE 137.A O no hydrogen 2.972 N/A LYS 146.A N THR 154.A O no hydrogen 2.881 N/A THR 147.A N TYR 135.A O no hydrogen 2.881 N/A THR 147.A OG1 SER 152.A O no hydrogen 2.771 N/A ASP 149.A N THR 147.A OG1 no hydrogen 3.077 N/A LEU 150.A N THR 147.A OG1 no hydrogen 2.945 N/A MET 151.A N ASP 149.A OD1 no hydrogen 2.909 N/A SER 152.A N ASP 149.A OD1 no hydrogen 2.896 N/A TRP 153.A N LYS 117.A O no hydrogen 3.168 N/A THR 154.A N LYS 146.A O no hydrogen 2.876 N/A PHE 156.A N ALA 144.A O no hydrogen 3.105 N/A TRP 160.A NE1 ASN 170.A OD1 no hydrogen 2.863 N/A LYS 161.A N TYR 254.A O no hydrogen 2.884 N/A THR 162.A N SER 165.A O no hydrogen 2.884 N/A ASN 167.A N SER 165.A OG no hydrogen 2.965 N/A ALA 168.A N TRP 160.A O no hydrogen 2.714 N/A ASN 170.A ND2 ASP 210.A OD1 no hydrogen 3.076 N/A VAL 172.A N ALA 169.A O no hydrogen 3.174 N/A ALA 173.A N ASN 170.A O no hydrogen 3.410 N/A ALA 178.A N TYR 256.A O no hydrogen 2.949 N/A VAL 179.A N GLN 257.A O no hydrogen 3.093 N/A LYS 180.A NZ PRO 177.A O no hydrogen 2.928 N/A LYS 180.A NZ ALA 178.A O no hydrogen 3.504 N/A VAL 182.A N VAL 189.A O no hydrogen 3.007 N/A LYS 183.A NZ ASP 188.A OD1 no hydrogen 2.650 N/A LYS 184.A N VAL 187.A O no hydrogen 2.895 N/A LYS 184.A NZ LEU 278.A O no hydrogen 2.796 N/A GLY 185.A N ASP 342.A OD1 no hydrogen 2.841 N/A VAL 187.A N LYS 184.A O no hydrogen 3.259 N/A VAL 189.A N VAL 182.A O no hydrogen 2.858 N/A PHE 191.A N LYS 180.A O no hydrogen 2.970 N/A SER 195.A OG GLU 175.A OE2 no hydrogen 2.778 N/A ALA 196.A N PHE 174.A O no hydrogen 2.991 N/A LYS 198.A N SER 195.A OG no hydrogen 3.115 N/A TRP 199.A N SER 195.A O no hydrogen 3.066 N/A TRP 199.A NE1 GLY 263.A O no hydrogen 2.897 N/A SER 200.A N ALA 196.A O no hydrogen 3.125 N/A SER 200.A OG ILE 233.A O no hydrogen 3.324 N/A SER 200.A OG TYR 239.A O no hydrogen 2.853 N/A ALA 201.A N THR 197.A O no hydrogen 3.073 N/A LYS 202.A N TRP 199.A O no hydrogen 3.006 N/A LYS 202.A NZ GLU 270.A OE1 no hydrogen 2.886 N/A GLY 203.A N SER 200.A O no hydrogen 3.172 N/A GLY 204.A N ALA 201.A O no hydrogen 3.335 N/A TYR 207.A OH ASN 234.A O no hydrogen 2.894 N/A ASP 210.A N SER 208.A OG no hydrogen 3.153 N/A ASN 212.A N VAL 209.A O no hydrogen 2.854 N/A ASN 212.A ND2 SER 208.A O no hydrogen 2.999 N/A TRP 214.A N SER 232.A O no hydrogen 2.898 N/A TRP 214.A NE1 GLY 211.A O no hydrogen 2.868 N/A ALA 215.A N SER 140.A OG no hydrogen 2.766 N/A ASP 217.A N TYR 230.A O no hydrogen 2.869 N/A ILE 219.A N CYS 228.A O no hydrogen 3.001 N/A ASN 221.A N LYS 226.A O no hydrogen 2.923 N/A ASN 221.A ND2 GLU 334.A O no hydrogen 3.164 N/A LYS 222.A N TYR 310.A OH no hydrogen 3.081 N/A LEU 224.A N ASN 221.A OD1 no hydrogen 2.876 N/A LYS 226.A NZ ASP 248.A OD1 no hydrogen 3.103 N/A TRP 227.A N ALA 247.A O no hydrogen 2.961 N/A CYS 228.A N ILE 219.A O no hydrogen 2.694 N/A CYS 228.A SG LYS 226.A O no hydrogen 3.791 N/A MET 229.A N LEU 245.A O no hydrogen 2.694 N/A TYR 230.A N ASP 217.A O no hydrogen 2.748 N/A TYR 230.A OH GLY 337.A O no hydrogen 2.639 N/A LEU 231.A N ILE 243.A O no hydrogen 2.932 N/A SER 232.A N TRP 214.A O no hydrogen 3.054 N/A SER 232.A OG TRP 214.A O no hydrogen 2.831 N/A ILE 233.A N SER 241.A O no hydrogen 2.904 N/A ASN 234.A N ASN 212.A O no hydrogen 2.974 N/A ASN 234.A ND2 ASN 212.A OD1 no hydrogen 3.084 N/A GLY 235.A N SER 240.A OG no hydrogen 3.016 N/A TRP 238.A NE1 SER 324.A OG no hydrogen 2.779 N/A TYR 239.A N ASN 236.A O no hydrogen 3.200 N/A TYR 239.A OH ASN 267.A OD1 no hydrogen 3.096 N/A TYR 239.A OH GLU 270.A OE1 no hydrogen 3.286 N/A TYR 239.A OH GLU 270.A OE2 no hydrogen 2.549 N/A SER 240.A OG ASN 234.A OD1 no hydrogen 3.369 N/A SER 240.A OG GLY 235.A O no hydrogen 3.384 N/A SER 240.A OG ASN 302.A OD1 no hydrogen 3.339 N/A SER 241.A N ILE 233.A O no hydrogen 3.030 N/A ILE 242.A N VAL 261.A O no hydrogen 2.964 N/A ILE 243.A N LEU 231.A O no hydrogen 2.955 N/A LEU 244.A N GLY 258.A O no hydrogen 2.784 N/A LEU 245.A N MET 229.A O no hydrogen 2.805 N/A THR 246.A N LEU 255.A O no hydrogen 2.938 N/A ALA 247.A N TRP 227.A O no hydrogen 3.011 N/A GLU 251.A N ASN 249.A OD1.B no hydrogen 3.015 N/A GLY 252.A N ASN 249.A O no hydrogen 2.874 N/A TYR 254.A N PRO 159.A O no hydrogen 2.990 N/A TYR 254.A OH ILE 250.A O no hydrogen 2.668 N/A LEU 255.A N THR 246.A O no hydrogen 2.847 N/A TYR 256.A OH PHE 194.A O no hydrogen 2.614 N/A GLN 257.A N LEU 244.A O no hydrogen 2.822 N/A GLN 257.A NE2 LEU 255.A O no hydrogen 3.286 N/A GLY 258.A N LEU 244.A O no hydrogen 3.422 N/A VAL 260.A N ILE 242.A O no hydrogen 2.734 N/A VAL 261.A N ILE 242.A O no hydrogen 3.427 N/A ILE 262.A N TYR 359.A OH no hydrogen 3.032 N/A GLY 263.A N SER 240.A O no hydrogen 2.836 N/A LYS 266.A N GLY 264.A O no hydrogen 2.704 N/A LYS 266.A NZ ALA 237.A O no hydrogen 2.804 N/A LYS 266.A NZ GLY 264.A O no hydrogen 2.865 N/A ASN 267.A N GLU 270.A OE2 no hydrogen 2.927 N/A GLU 270.A N ASN 267.A O no hydrogen 3.317 N/A TYR 271.A OH GLN 283.A O no hydrogen 2.649 N/A LYS 272.A N THR 269.A O no hydrogen 3.040 N/A GLU 273.A N GLU 270.A O no hydrogen 3.032 N/A THR 274.A N TYR 271.A O no hydrogen 2.979 N/A THR 274.A OG1 TYR 271.A O no hydrogen 2.632 N/A PHE 276.A N THR 274.A OG1 no hydrogen 2.986 N/A VAL 279.A N ASP 275.A O no hydrogen 3.046 N/A LEU 280.A N PHE 276.A O no hydrogen 2.869 N/A GLY 281.A N GLU 277.A O no hydrogen 2.668 N/A GLN 283.A N GLU 277.A OE2 no hydrogen 3.039 N/A GLN 283.A NE2 LEU 280.A O no hydrogen 3.153 N/A GLN 283.A NE2 GLY 281.A O no hydrogen 3.157 N/A ARG 289.A NE TYR 290.A OH no hydrogen 3.230 N/A ARG 289.A NE ASP 357.A OD1 no hydrogen 2.975 N/A ARG 289.A NH2 TYR 290.A OH no hydrogen 2.959 N/A TYR 290.A N PRO 287.A O no hydrogen 3.100 N/A TYR 290.A OH ASP 357.A OD1 no hydrogen 3.185 N/A TYR 290.A OH ASP 357.A OD2 no hydrogen 2.614 N/A ALA 291.A N GLU 288.A O no hydrogen 2.907 N/A THR 292.A N TYR 290.A O no hydrogen 2.905 N/A THR 292.A OG1 GLY 293.A O no hydrogen 3.021 N/A LYS 295.A N THR 292.A O no hydrogen 3.098 N/A TRP 296.A N GLY 293.A O no hydrogen 3.351 N/A TRP 296.A NE1 PRO 301.A O no hydrogen 2.997 N/A ASP 298.A N LYS 295.A O no hydrogen 3.106 N/A ARG 299.A N TRP 296.A O no hydrogen 2.970 N/A ARG 299.A NE ASN 352.A OD1 no hydrogen 2.927 N/A ARG 299.A NH1 ARG 289.A O no hydrogen 2.948 N/A ARG 299.A NH2 ASN 352.A OD1 no hydrogen 3.162 N/A TYR 300.A N TRP 296.A O no hydrogen 2.879 N/A TYR 300.A OH ASP 357.A OD1 no hydrogen 2.742 N/A ILE 304.A N ASN 302.A O no hydrogen 2.871 N/A ASP 305.A N SER 232.A OG no hydrogen 2.961 N/A CYS 307.A N THR 319.A O no hydrogen 2.930 N/A VAL 308.A N ASP 217.A OD2 no hydrogen 2.855 N/A PHE 309.A N TRP 317.A O no hydrogen 3.077 N/A ASP 311.A N LYS 315.A O no hydrogen 2.753 N/A GLU 312.A N TYR 384.A OH no hydrogen 2.878 N/A GLU 313.A N ASP 311.A OD1 no hydrogen 2.766 N/A GLY 314.A N ASP 311.A O no hydrogen 3.021 N/A LYS 315.A N ASP 311.A OD1 no hydrogen 2.917 N/A LYS 315.A NZ GLU 331.A OE1 no hydrogen 3.094 N/A LEU 316.A N GLU 334.A OE2 no hydrogen 2.785 N/A TRP 317.A N PHE 309.A O no hydrogen 2.950 N/A TRP 317.A NE1 ASP 311.A OD2 no hydrogen 2.812 N/A MET 318.A N ILE 330.A O no hydrogen 2.961 N/A THR 319.A N CYS 307.A O no hydrogen 2.950 N/A THR 319.A OG1 SER 375.A OG no hydrogen 3.012 N/A TYR 320.A N TRP 328.A O no hydrogen 2.934 N/A TYR 320.A OH PHE 360.A O no hydrogen 2.604 N/A GLY 321.A N ILE 304.A O no hydrogen 2.831 N/A SER 322.A OG GLU 373.A OE1 no hydrogen 2.619 N/A TRP 323.A N GLY 372.A O no hydrogen 2.861 N/A GLY 325.A N TYR 300.A O no hydrogen 2.868 N/A GLY 326.A N TRP 323.A O no hydrogen 2.897 N/A ILE 327.A N ALA 365.A O no hydrogen 2.834 N/A TRP 328.A N TYR 320.A O no hydrogen 2.901 N/A TRP 328.A NE1 GLY 325.A O no hydrogen 3.154 N/A MET 329.A N LYS 362.A O no hydrogen 2.874 N/A ILE 330.A N MET 318.A O no hydrogen 2.963 N/A GLU 331.A N TYR 345.A OH no hydrogen 2.894 N/A LEU 332.A N LEU 316.A O no hydrogen 2.947 N/A ASP 333.A N LEU 338.A O no hydrogen 2.813 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.809 N/A THR 336.A N ASP 333.A O no hydrogen 3.312 N/A GLY 337.A N ASP 333.A O no hydrogen 2.824 N/A LEU 338.A N THR 336.A OG1 no hydrogen 2.984 N/A ARG 339.A NH1 TYR 359.A O no hydrogen 2.919 N/A ARG 339.A NH2 TYR 359.A O no hydrogen 2.909 N/A ASP 340.A N GLU 331.A O no hydrogen 3.076 N/A TYR 341.A OH ASP 275.A OD2 no hydrogen 2.793 N/A ASP 342.A N ASP 340.A OD1 no hydrogen 3.100 N/A VAL 343.A N ASP 340.A O no hydrogen 3.308 N/A THR 348.A N VAL 356.A O no hydrogen 2.917 N/A THR 348.A OG1 GLU 346.A O no hydrogen 2.902 N/A GLY 353.A N SER 350.A O no hydrogen 2.970 N/A ILE 354.A N GLY 351.A O no hydrogen 3.182 N/A THR 355.A N THR 348.A O no hydrogen 2.787 N/A THR 355.A OG1 THR 348.A O no hydrogen 3.565 N/A VAL 356.A N THR 348.A O no hydrogen 3.389 N/A ASP 357.A N GLY 361.A O no hydrogen 2.845 N/A TYR 359.A N ASP 357.A OD2 no hydrogen 2.983 N/A TYR 359.A OH ASP 275.A OD1 no hydrogen 2.642 N/A PHE 360.A N ASP 357.A OD2 no hydrogen 3.119 N/A GLY 361.A N ASP 357.A O no hydrogen 2.901 N/A LYS 362.A N MET 329.A O no hydrogen 2.935 N/A LYS 362.A NZ ASP 418.A O no hydrogen 2.703 N/A LYS 363.A N THR 355.A O no hydrogen 2.909 N/A LYS 363.A NZ GLY 325.A O no hydrogen 3.077 N/A ILE 364.A N ILE 327.A O no hydrogen 2.767 N/A ALA 365.A N ILE 327.A O no hydrogen 3.341 N/A GLY 366.A N ALA 429.A O no hydrogen 2.906 N/A TYR 369.A N SER 324.A O no hydrogen 2.883 N/A VAL 370.A N GLY 367.A O no hydrogen 3.059 N/A SER 371.A OG ASP 437.A OD1 no hydrogen 2.715 N/A GLU 373.A N THR 389.A O no hydrogen 2.897 N/A ALA 374.A N ASP 305.A OD2 no hydrogen 2.899 N/A SER 375.A OG THR 319.A OG1 no hydrogen 3.012 N/A TYR 376.A N PHE 387.A O no hydrogen 3.036 N/A GLU 378.A N PHE 385.A O no hydrogen 3.071 N/A ILE 380.A N TYR 383.A O no hydrogen 2.900 N/A TYR 383.A N ILE 380.A O no hydrogen 3.115 N/A TYR 384.A N SER 414.A O no hydrogen 2.895 N/A PHE 385.A N GLU 378.A O no hydrogen 2.963 N/A LEU 386.A N PHE 412.A O no hydrogen 2.915 N/A PHE 387.A N TYR 376.A O no hydrogen 2.806 N/A VAL 388.A N ARG 410.A O no hydrogen 2.916 N/A THR 389.A N GLU 373.A O no hydrogen 2.886 N/A TYR 390.A N GLN 408.A O no hydrogen 2.857 N/A GLY 391.A N SER 371.A OG no hydrogen 2.907 N/A GLY 392.A N GLY 405.A O no hydrogen 2.875 N/A ALA 395.A N GLU 496.A OE1 no hydrogen 2.930 N/A ALA 395.A N GLU 496.A OE2 no hydrogen 3.481 N/A GLY 397.A N HIS 556.A O no hydrogen 2.882 N/A ASP 401.A N VAL 398.A O no hydrogen 2.938 N/A TYR 402.A OH PHE 438.A O no hydrogen 2.651 N/A ASN 403.A N ASP 401.A OD1 no hydrogen 3.222 N/A ASN 404.A N ASP 401.A O no hydrogen 3.290 N/A TYR 407.A OH GLU 373.A OE2 no hydrogen 2.447 N/A GLN 408.A N TYR 390.A O no hydrogen 2.928 N/A GLN 408.A NE2 GLY 406.A O no hydrogen 2.798 N/A ARG 410.A N VAL 388.A O no hydrogen 2.795 N/A ARG 410.A NH1 ASP 437.A O no hydrogen 3.461 N/A ARG 410.A NH1 ARG 446.A O no hydrogen 2.897 N/A ARG 410.A NH2 GLN 408.A OE1 no hydrogen 2.703 N/A ARG 410.A NH2 ASP 437.A O no hydrogen 3.288 N/A VAL 411.A N VAL 448.A O no hydrogen 2.985 N/A PHE 412.A N LEU 386.A O no hydrogen 2.857 N/A ARG 413.A N LEU 422.A O no hydrogen 2.803 N/A ARG 413.A NH1 ASP 510.A O no hydrogen 3.002 N/A SER 414.A N TYR 384.A O no hydrogen 2.848 N/A SER 414.A OG LYS 416.A O no hydrogen 2.816 N/A SER 414.A OG PRO 420.A O no hydrogen 3.289 N/A LYS 416.A N SER 414.A OG no hydrogen 2.989 N/A GLY 419.A N LYS 416.A O no hydrogen 3.121 N/A TYR 421.A OH PRO 417.A O no hydrogen 2.647 N/A LEU 422.A N ARG 413.A O no hydrogen 2.985 N/A ASP 423.A N THR 427.A O no hydrogen 2.888 N/A ARG 425.A N ASP 423.A OD1 no hydrogen 2.985 N/A ARG 425.A NH2 ASN 445.A O no hydrogen 3.128 N/A GLY 426.A N ASP 423.A O no hydrogen 3.043 N/A THR 427.A N ASP 423.A OD1 no hydrogen 2.863 N/A ALA 429.A N TYR 421.A O no hydrogen 2.889 N/A VAL 430.A N ASP 428.A OD1 no hydrogen 2.807 N/A PHE 431.A N GLY 366.A O no hydrogen 2.867 N/A LEU 436.A N ASN 443.A OD1 no hydrogen 2.808 N/A ASP 441.A N TYR 402.A OH no hydrogen 2.905 N/A ALA 442.A N GLY 439.A O no hydrogen 3.100 N/A ASN 443.A N LEU 436.A O no hydrogen 2.972 N/A ARG 446.A NE ASP 444.A OD1 no hydrogen 2.872 N/A ARG 446.A NE ASP 444.A OD2 no hydrogen 3.427 N/A ARG 446.A NH1 ASP 428.A O no hydrogen 2.850 N/A ARG 446.A NH2 ASP 444.A OD2 no hydrogen 2.893 N/A GLY 447.A N ASP 423.A OD2 no hydrogen 2.824 N/A VAL 448.A N VAL 411.A O no hydrogen 2.865 N/A ASN 449.A N GLY 626.A O no hydrogen 2.783 N/A ASN 449.A ND2 HIS 550.A O no hydrogen 2.800 N/A GLY 452.A N HIS 550.A ND1 no hydrogen 3.240 N/A TYR 454.A N GLU 467.A O no hydrogen 3.030 N/A GLY 455.A N ALA 562.A O no hydrogen 3.054 N/A TRP 457.A N THR 461.A O no hydrogen 3.003 N/A TRP 457.A NE1 PRO 517.A O no hydrogen 3.039 N/A GLY 458.A N TYR 632.A OH no hydrogen 3.139 N/A THR 461.A OG1 TRP 457.A O no hydrogen 2.701 N/A LYS 462.A N GLN 460.A O no hydrogen 2.976 N/A LYS 462.A NZ ASN 459.A O no hydrogen 3.295 N/A ASN 465.A N LYS 462.A O no hydrogen 3.140 N/A SER 466.A N GLY 463.A O no hydrogen 3.110 N/A SER 466.A OG GLY 463.A O no hydrogen 2.885 N/A GLU 467.A N TYR 454.A O no hydrogen 3.103 N/A ARG 468.A N ARG 490.A O no hydrogen 3.108 N/A ARG 468.A NE ALA 395.A O no hydrogen 2.737 N/A ARG 468.A NH2 GLN 492.A OE1 no hydrogen 3.105 N/A ARG 468.A NH2 GLU 560.A O no hydrogen 2.981 N/A SER 469.A OG ALA 394.A O no hydrogen 2.660 N/A GLN 470.A N GLN 470.A OE1 no hydrogen 2.972 N/A GLN 470.A NE2 GLY 452.A O no hydrogen 3.031 N/A GLY 471.A N HIS 488.A O no hydrogen 3.104 N/A HIS 472.A N THR 389.A OG1 no hydrogen 2.914 N/A ASN 473.A ND2 SER 474.A O no hydrogen 3.437 N/A SER 474.A N VAL 486.A O no hydrogen 2.784 N/A SER 474.A OG PRO 124.A O no hydrogen 3.019 N/A ILE 476.A N TYR 484.A O no hydrogen 2.899 N/A ALA 477.A N GLU 378.A OE2 no hydrogen 2.925 N/A ALA 478.A N ARG 482.A O no hydrogen 2.823 N/A GLY 481.A N ALA 478.A O no hydrogen 2.997 N/A ARG 482.A N ASP 480.A OD1 no hydrogen 3.020 N/A ARG 482.A NE VAL 525.A O no hydrogen 3.035 N/A ARG 482.A NH1 ASP 480.A OD2 no hydrogen 2.858 N/A ARG 482.A NH2 THR 524.A O no hydrogen 2.960 N/A TYR 484.A N ILE 476.A O no hydrogen 2.862 N/A TYR 484.A OH ASP 480.A OD2 no hydrogen 2.481 N/A LEU 485.A N HIS 503.A O no hydrogen 2.896 N/A VAL 486.A N SER 474.A O no hydrogen 2.935 N/A TYR 487.A N ARG 501.A O no hydrogen 3.087 N/A HIS 488.A N GLY 471.A O no hydrogen 3.297 N/A THR 489.A N GLU 499.A O no hydrogen 2.938 N/A THR 489.A OG1 ARG 468.A O no hydrogen 3.436 N/A THR 489.A OG1 ARG 490.A O no hydrogen 2.896 N/A ARG 490.A N ARG 468.A O no hydrogen 2.887 N/A ARG 490.A NE GLU 496.A OE1 no hydrogen 3.028 N/A ARG 490.A NH1 HIS 122.A NE2 no hydrogen 3.033 N/A ARG 490.A NH2 HIS 122.A NE2 no hydrogen 3.314 N/A GLN 492.A N SER 466.A O no hydrogen 2.910 N/A GLN 492.A NE2 LYS 559.A O no hydrogen 2.873 N/A ASN 493.A N LYS 464.A O no hydrogen 3.228 N/A ARG 494.A NE GLU 497.A OE1 no hydrogen 2.841 N/A ARG 494.A NH1 ASN 465.A OD1 no hydrogen 2.996 N/A ARG 494.A NH2 GLU 497.A OE1 no hydrogen 2.793 N/A ARG 494.A NH2 GLU 499.A OE2 no hydrogen 2.888 N/A GLU 497.A N ARG 494.A O no hydrogen 3.059 N/A GLU 499.A N THR 489.A O no hydrogen 3.092 N/A VAL 500.A N VAL 119.A O no hydrogen 3.095 N/A ARG 501.A N TYR 487.A O no hydrogen 2.888 N/A ARG 501.A NE GLU 467.A OE2 no hydrogen 2.906 N/A ARG 501.A NH1 GLU 499.A OE1 no hydrogen 2.995 N/A ARG 501.A NH1 VAL 500.A O no hydrogen 3.076 N/A ARG 501.A NH2 GLU 467.A OE2 no hydrogen 3.408 N/A ARG 501.A NH2 GLU 499.A OE1 no hydrogen 3.220 N/A HIS 503.A N LEU 485.A O no hydrogen 2.964 N/A HIS 503.A ND1 ALA 516.A O no hydrogen 2.806 N/A GLN 504.A NE2 VAL 525.A O no hydrogen 2.969 N/A VAL 505.A N THR 483.A O no hydrogen 2.936 N/A PHE 506.A N VAL 514.A O no hydrogen 2.936 N/A GLN 507.A NE2 GLY 381.A O no hydrogen 3.358 N/A GLN 507.A NE2 GLY 511.A O no hydrogen 2.857 N/A ASN 508.A N TRP 512.A O no hydrogen 2.876 N/A ASN 508.A ND2 LYS 601.A O no hydrogen 2.950 N/A ASP 510.A N ASN 508.A OD1 no hydrogen 3.022 N/A GLY 511.A N ASN 508.A O no hydrogen 2.812 N/A TRP 512.A N ASN 508.A OD1 no hydrogen 3.043 N/A VAL 514.A N PHE 506.A O no hydrogen 2.845 N/A ALA 516.A N GLN 504.A O no hydrogen 2.858 N/A GLU 519.A N GLU 610.A OE2 no hydrogen 2.796 N/A TYR 520.A N VAL 502.A O no hydrogen 2.953 N/A TYR 520.A OH GLU 523.A O no hydrogen 2.827 N/A THR 521.A N GLU 523.A OE2 no hydrogen 2.861 N/A THR 521.A OG1 GLU 519.A O no hydrogen 3.502 N/A THR 521.A OG1 GLU 523.A OE1 no hydrogen 2.788 N/A THR 521.A OG1 GLU 523.A OE2 no hydrogen 3.352 N/A LYS 526.A N ASP 529.A OD2 no hydrogen 2.753 N/A SER 527.A N GLY 481.A O no hydrogen 2.936 N/A SER 527.A OG GLY 481.A O no hydrogen 3.306 N/A ASP 529.A N LYS 526.A O no hydrogen 2.932 N/A ILE 530.A N SER 527.A O no hydrogen 3.272 N/A THR 532.A N ASP 529.A O no hydrogen 3.249 N/A THR 532.A OG1 ALA 528.A O no hydrogen 2.854 N/A SER 533.A N ASP 529.A O no hydrogen 2.875 N/A SER 533.A OG ASP 529.A O no hydrogen 2.772 N/A GLN 534.A NE2 VAL 536.A O no hydrogen 3.064 N/A GLN 535.A N SER 590.A OG no hydrogen 2.917 N/A GLN 535.A NE2 SER 533.A OG no hydrogen 2.926 N/A LYS 540.A N PRO 537.A O no hydrogen 2.826 N/A ILE 541.A N THR 538.A O no hydrogen 3.161 N/A GLY 543.A N LEU 569.A O no hydrogen 2.753 N/A SER 544.A OG GLU 568.A OE1 no hydrogen 3.034 N/A SER 544.A OG GLU 568.A OE2 no hydrogen 3.517 N/A TYR 545.A N ILE 567.A O no hydrogen 2.881 N/A TYR 545.A OH ILE 541.A O no hydrogen 2.651 N/A LYS 546.A N TYR 632.A O no hydrogen 3.012 N/A LEU 547.A N VAL 565.A O no hydrogen 2.813 N/A LEU 548.A N TRP 630.A O no hydrogen 2.791 N/A HIS 550.A N THR 628.A O no hydrogen 2.960 N/A LYS 553.A NZ ALA 442.A O no hydrogen 3.146 N/A ASP 555.A N GLU 560.A OE1 no hydrogen 2.671 N/A HIS 556.A NE2 TYR 402.A O no hydrogen 2.645 N/A ARG 557.A N ASP 555.A OD1 no hydrogen 3.004 N/A ARG 557.A NE ASP 555.A OD1 no hydrogen 2.983 N/A ARG 557.A NH2 ASP 555.A OD2 no hydrogen 3.134 N/A VAL 558.A N ASP 555.A O no hydrogen 3.284 N/A LYS 559.A N HIS 556.A O no hydrogen 3.113 N/A LYS 559.A NZ GLN 492.A O no hydrogen 2.888 N/A GLU 560.A N ASP 555.A O no hydrogen 3.011 N/A ALA 562.A N ALA 453.A O no hydrogen 2.879 N/A VAL 565.A N LEU 547.A O no hydrogen 2.820 N/A ILE 567.A N TYR 545.A O no hydrogen 2.999 N/A GLU 568.A N THR 576.A O no hydrogen 2.755 N/A LEU 569.A N GLY 543.A O no hydrogen 2.848 N/A ASN 570.A N THR 574.A O no hydrogen 2.935 N/A ASN 570.A ND2 THR 574.A O no hydrogen 3.565 N/A ASN 570.A ND2 THR 574.A OG1 no hydrogen 3.117 N/A ASN 570.A ND2 THR 576.A OG1 no hydrogen 3.259 N/A GLY 573.A N ASN 570.A O no hydrogen 2.953 N/A THR 574.A N ASP 572.A OD1 no hydrogen 3.009 N/A THR 574.A OG1 ASP 572.A OD1 no hydrogen 2.667 N/A ILE 575.A N GLY 581.A O no hydrogen 2.712 N/A THR 576.A N GLU 568.A O no hydrogen 3.048 N/A SER 578.A N ASP 566.A O no hydrogen 3.033 N/A SER 578.A OG ASP 566.A O no hydrogen 2.734 N/A GLY 581.A N ILE 575.A O no hydrogen 3.241 N/A THR 582.A N ASN 595.A O no hydrogen 3.042 N/A TRP 583.A N GLY 573.A O no hydrogen 2.873 N/A TRP 583.A NE1 ASN 570.A O no hydrogen 2.825 N/A SER 584.A N THR 593.A O no hydrogen 2.947 N/A LYS 586.A NZ GLU 509.A OE2 no hydrogen 2.881 N/A GLY 588.A N GLN 534.A OE1 no hydrogen 3.055 N/A THR 589.A N LYS 586.A O no hydrogen 2.918 N/A THR 589.A OG1 LYS 586.A O no hydrogen 2.732 N/A SER 590.A N ILE 530.A O no hydrogen 2.925 N/A SER 590.A OG SER 533.A O no hydrogen 2.788 N/A TYR 591.A N THR 589.A OG1 no hydrogen 3.099 N/A ILE 592.A N GLY 602.A O no hydrogen 3.052 N/A THR 593.A N SER 584.A O no hydrogen 2.824 N/A ILE 594.A N TYR 600.A O no hydrogen 2.830 N/A ASN 595.A N THR 582.A O no hydrogen 2.732 N/A ASN 595.A ND2 GLU 599.A OE1 no hydrogen 3.004 N/A LEU 596.A N LYS 598.A O no hydrogen 2.790 N/A TYR 600.A N ILE 594.A O no hydrogen 2.680 N/A LYS 601.A N LEU 622.A O no hydrogen 2.897 N/A LYS 601.A NZ ASP 510.A OD1 no hydrogen 3.551 N/A LYS 601.A NZ ASP 510.A OD2 no hydrogen 2.949 N/A GLY 602.A N ILE 592.A O no hydrogen 2.796 N/A VAL 603.A N THR 620.A O no hydrogen 2.972 N/A ILE 604.A N SER 590.A O no hydrogen 2.941 N/A VAL 605.A N VAL 618.A O no hydrogen 3.021 N/A GLN 607.A N ALA 616.A O no hydrogen 2.880 N/A GLN 607.A NE2 GLU 606.A O no hydrogen 3.033 N/A THR 608.A OG1 GLU 523.A OE1 no hydrogen 3.268 N/A LEU 609.A N ASP 614.A O no hydrogen 2.806 N/A GLU 610.A N THR 608.A O no hydrogen 3.217 N/A GLU 610.A N GLU 610.A OE1 no hydrogen 2.850 N/A THR 612.A N LEU 609.A O no hydrogen 2.955 N/A THR 612.A OG1 LEU 609.A O no hydrogen 2.741 N/A ASP 614.A N THR 612.A OG1 no hydrogen 3.002 N/A LYS 615.A NZ THR 608.A OG1 no hydrogen 2.833 N/A ALA 616.A N GLN 607.A O no hydrogen 2.915 N/A PHE 617.A N LYS 633.A O no hydrogen 2.919 N/A VAL 618.A N VAL 605.A O no hydrogen 2.839 N/A PHE 619.A N GLY 631.A O no hydrogen 2.918 N/A THR 620.A N VAL 603.A O no hydrogen 3.086 N/A THR 620.A OG1 ALA 515.A O no hydrogen 2.803 N/A ALA 621.A N ILE 629.A O no hydrogen 2.929 N/A LEU 622.A N LYS 601.A O no hydrogen 3.015 N/A ASN 623.A N VAL 627.A O no hydrogen 2.994 N/A ASN 623.A ND2 GLU 599.A O no hydrogen 2.770 N/A ASN 625.A N ASN 623.A OD1 no hydrogen 2.922 N/A GLY 626.A N ASN 623.A O no hydrogen 2.834 N/A VAL 627.A N ASN 625.A OD1 no hydrogen 2.938 N/A THR 628.A OG1 ASN 449.A O no hydrogen 2.855 N/A THR 628.A OG1 ILE 450.A O no hydrogen 3.267 N/A ILE 629.A N ALA 621.A O no hydrogen 2.889 N/A TRP 630.A N LEU 548.A O no hydrogen 2.826 N/A GLY 631.A N PHE 619.A O no hydrogen 2.949 N/A TYR 632.A N LYS 546.A O no hydrogen 3.004 N/A LYS 633.A N PHE 617.A O no hydrogen 3.010 N/A LYS 633.A NZ LYS 540.A O no hydrogen 2.800 N/A LYS 633.A NZ ALA 542.A O no hydrogen 3.147 N/A ILE 635.A N LYS 615.A O no hydrogen 3.137 N/A