Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b6f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 642.A OG no hydrogen 3.064 N/A TYR 4.A N ILE 640.A O no hydrogen 2.901 N/A GLN 6.A N ARG 638.A O no hydrogen 2.779 N/A GLN 7.A NE2 ARG 9.A O no hydrogen 3.506 N/A THR 8.A N VAL 636.A O no hydrogen 2.800 N/A ARG 9.A N VAL 636.A O no hydrogen 3.139 N/A ARG 9.A NE ASP 23.A OD2 no hydrogen 3.510 N/A ARG 9.A NH2 ASP 23.A OD1 no hydrogen 3.378 N/A CYS 14.A N GLY 10.A O no hydrogen 3.265 N/A ILE 15.A N LEU 11.A O no hydrogen 3.382 N/A ILE 16.A N LEU 12.A O no hydrogen 2.952 N/A THR 17.A N GLY 13.A O no hydrogen 3.082 N/A THR 17.A OG1 GLY 13.A O no hydrogen 2.955 N/A SER 18.A N CYS 14.A O no hydrogen 3.005 N/A SER 18.A OG SER 632.A O no hydrogen 3.025 N/A LEU 19.A N ILE 15.A O no hydrogen 3.146 N/A THR 20.A N ILE 16.A O no hydrogen 2.957 N/A THR 20.A OG1 ILE 16.A O no hydrogen 3.180 N/A GLY 21.A N THR 17.A O no hydrogen 2.684 N/A ARG 22.A N THR 20.A OG1 no hydrogen 3.390 N/A ARG 22.A NH2 THR 20.A O no hydrogen 3.515 N/A ASP 23.A N GLY 64.A O no hydrogen 2.939 N/A ASN 25.A ND2 THR 8.A O no hydrogen 3.307 N/A GLY 29.A N GLU 28.A OE1 no hydrogen 3.311 N/A GLN 32.A N ALA 43.A O no hydrogen 2.514 N/A GLN 32.A NE2 GLU 28.A O no hydrogen 2.756 N/A VAL 33.A N GLY 637.A O no hydrogen 3.049 N/A VAL 34.A N PHE 41.A O no hydrogen 2.779 N/A SER 35.A N VAL 634.A O no hydrogen 2.865 N/A SER 35.A OG THR 36.A O no hydrogen 2.833 N/A SER 35.A OG GLN 39.A O no hydrogen 3.002 N/A THR 36.A N GLN 39.A O no hydrogen 2.888 N/A THR 36.A OG1 THR 38.A OG1 no hydrogen 2.922 N/A THR 36.A OG1 GLN 39.A O no hydrogen 3.229 N/A THR 38.A OG1 THR 36.A OG1 no hydrogen 2.922 N/A GLN 39.A N THR 36.A OG1 no hydrogen 2.860 N/A SER 40.A OG VAL 34.A O no hydrogen 2.550 N/A PHE 41.A N VAL 34.A O no hydrogen 3.125 N/A LEU 42.A N SER 137.A O no hydrogen 2.745 N/A ALA 43.A N GLN 32.A O no hydrogen 2.596 N/A THR 44.A N TRP 51.A O no hydrogen 2.961 N/A THR 44.A OG1 GLY 138.A O no hydrogen 2.818 N/A CYS 45.A N GLU 30.A O no hydrogen 2.974 N/A CYS 45.A SG VAL 49.A O no hydrogen 3.843 N/A CYS 45.A SG ARG 90.A O no hydrogen 3.348 N/A CYS 45.A SG SER 91.A OG no hydrogen 3.443 N/A VAL 46.A N VAL 49.A O no hydrogen 2.536 N/A GLY 48.A N SER 91.A OG no hydrogen 2.746 N/A VAL 49.A N VAL 46.A O no hydrogen 2.931 N/A CYS 50.A N TRP 83.A O no hydrogen 2.775 N/A TRP 51.A N THR 44.A O no hydrogen 2.871 N/A TRP 51.A NE1 VAL 46.A O no hydrogen 2.981 N/A THR 52.A N VAL 81.A O no hydrogen 2.952 N/A THR 52.A OG1 LEU 42.A O no hydrogen 2.705 N/A TYR 54.A N ASP 79.A O no hydrogen 3.256 N/A TYR 54.A OH SER 481.A O no hydrogen 2.461 N/A HIS 55.A N ASP 79.A OD1 no hydrogen 2.818 N/A GLY 56.A N VAL 53.A O no hydrogen 3.329 N/A ALA 57.A N VAL 53.A O no hydrogen 3.158 N/A GLY 58.A N TYR 54.A O no hydrogen 2.757 N/A SER 59.A OG GLY 325.A O no hydrogen 2.711 N/A LYS 60.A N ALA 57.A O no hydrogen 3.094 N/A THR 61.A OG1 SER 632.A OG no hydrogen 2.548 N/A LEU 62.A N ILE 69.A O no hydrogen 2.875 N/A ALA 63.A N VAL 633.A O no hydrogen 3.131 N/A GLY 64.A N GLY 21.A O no hydrogen 3.120 N/A GLY 67.A N GLY 64.A O no hydrogen 3.072 N/A ILE 69.A N LEU 62.A O no hydrogen 2.704 N/A GLN 71.A NE2 GLY 58.A O no hydrogen 2.700 N/A GLN 71.A NE2 LYS 60.A O no hydrogen 3.286 N/A MET 72.A N GLY 82.A O no hydrogen 2.746 N/A TYR 73.A N GLY 82.A O no hydrogen 3.015 N/A THR 74.A OG1 GLN 71.A OE1 no hydrogen 2.821 N/A ASN 75.A N LEU 80.A O no hydrogen 2.714 N/A ASP 77.A N ASN 75.A OD1 no hydrogen 3.196 N/A GLN 78.A N ASN 75.A OD1 no hydrogen 3.290 N/A LEU 80.A N ASN 75.A O no hydrogen 3.179 N/A VAL 81.A N THR 52.A O no hydrogen 2.850 N/A GLY 82.A N TYR 73.A O no hydrogen 2.867 N/A TRP 83.A N CYS 50.A O no hydrogen 3.163 N/A TRP 83.A NE1 LYS 60.A O no hydrogen 3.220 N/A ALA 85.A N GLY 48.A O no hydrogen 2.979 N/A ALA 89.A N PRO 86.A O no hydrogen 3.243 N/A LEU 92.A N CYS 45.A O no hydrogen 2.873 N/A THR 93.A OG1 HIS 147.A ND1 no hydrogen 3.118 N/A CYS 95.A N ALA 148.A O no hydrogen 3.216 N/A CYS 95.A SG HIS 147.A O no hydrogen 3.627 N/A CYS 95.A SG ALA 148.A O no hydrogen 3.804 N/A LEU 102.A N VAL 114.A O no hydrogen 2.948 N/A LEU 104.A N ILE 112.A O no hydrogen 3.037 N/A VAL 105.A N PRO 140.A O no hydrogen 3.145 N/A THR 106.A N ASP 110.A O no hydrogen 2.811 N/A ARG 107.A N SER 136.A OG no hydrogen 2.847 N/A ARG 107.A NE GLY 135.A O no hydrogen 3.091 N/A HIS 108.A N THR 106.A OG1 no hydrogen 3.309 N/A ALA 109.A N THR 106.A O no hydrogen 2.831 N/A ASP 110.A N THR 106.A OG1 no hydrogen 3.392 N/A ILE 112.A N LEU 104.A O no hydrogen 2.719 N/A VAL 114.A N LEU 102.A O no hydrogen 3.115 N/A ARG 115.A N SER 123.A O no hydrogen 2.817 N/A ARG 116.A N SER 100.A O no hydrogen 3.088 N/A ARG 116.A NH1 GLY 118.A O no hydrogen 3.403 N/A ARG 117.A N ARG 121.A O no hydrogen 2.787 N/A ARG 117.A NH1 SER 123.A OG no hydrogen 2.942 N/A ARG 121.A NE ASP 166.A OD2 no hydrogen 3.275 N/A GLY 122.A N VAL 165.A O no hydrogen 3.038 N/A SER 123.A N ARG 115.A O no hydrogen 2.973 N/A SER 123.A OG ARG 115.A O no hydrogen 3.547 N/A LEU 124.A N LYS 163.A O no hydrogen 3.197 N/A LEU 125.A N PRO 113.A O no hydrogen 3.461 N/A ARG 128.A N ALA 162.A O no hydrogen 3.364 N/A VAL 130.A N GLY 160.A O no hydrogen 3.326 N/A TYR 132.A N PRO 129.A O no hydrogen 3.005 N/A LEU 133.A N VAL 130.A O no hydrogen 2.763 N/A LYS 134.A NZ VAL 628.A O no hydrogen 2.903 N/A GLY 135.A N THR 629.A O no hydrogen 2.809 N/A SER 136.A N LEU 133.A O no hydrogen 3.284 N/A GLY 138.A N PHE 152.A O no hydrogen 2.812 N/A GLY 139.A N SER 136.A O no hydrogen 3.160 N/A LEU 141.A N GLY 150.A O no hydrogen 2.839 N/A LEU 142.A N TYR 103.A O no hydrogen 2.743 N/A CYS 143.A N HIS 147.A O no hydrogen 3.042 N/A CYS 143.A SG SER 145.A OG no hydrogen 2.840 N/A CYS 143.A SG HIS 147.A O no hydrogen 3.779 N/A GLY 146.A N CYS 143.A O no hydrogen 2.999 N/A ALA 148.A N THR 93.A O no hydrogen 2.805 N/A VAL 149.A N LEU 141.A O no hydrogen 2.764 N/A ILE 151.A N VAL 168.A O no hydrogen 3.181 N/A PHE 152.A N GLY 139.A O no hydrogen 2.618 N/A ARG 153.A N ASP 166.A O no hydrogen 3.009 N/A ARG 153.A NH1 ASP 166.A OD1 no hydrogen 3.107 N/A ARG 153.A NH1 GLU 626.A OE2 no hydrogen 3.427 N/A ARG 153.A NH2 GLU 626.A OE1 no hydrogen 3.477 N/A ALA 154.A N ASP 166.A O no hydrogen 3.186 N/A ALA 155.A N VAL 627.A O no hydrogen 3.166 N/A VAL 156.A N ALA 164.A O no hydrogen 2.695 N/A CYS 157.A N LEU 625.A O no hydrogen 2.632 N/A THR 158.A N VAL 161.A O no hydrogen 2.912 N/A THR 158.A OG1 ASP 624.A OD1 no hydrogen 3.310 N/A ARG 159.A NH1 SER 622.A OG no hydrogen 2.895 N/A VAL 161.A N THR 158.A O no hydrogen 2.964 N/A ALA 162.A N ARG 128.A O no hydrogen 2.946 N/A LYS 163.A N VAL 156.A O no hydrogen 3.138 N/A VAL 165.A N GLY 122.A O no hydrogen 2.650 N/A ASP 166.A N ALA 154.A O no hydrogen 2.588 N/A PHE 167.A N SER 120.A O no hydrogen 3.287 N/A VAL 168.A N ILE 151.A O no hydrogen 2.789 N/A VAL 170.A N VAL 149.A O no hydrogen 3.106 N/A SER 172.A OG GLN 78.A OE1 no hydrogen 3.322 N/A GLU 174.A N VAL 170.A O no hydrogen 2.979 N/A THR 175.A N GLU 171.A O no hydrogen 2.830 N/A THR 175.A OG1 GLU 171.A O no hydrogen 3.207 N/A THR 176.A N SER 172.A O no hydrogen 3.101 N/A THR 176.A OG1 SER 172.A O no hydrogen 3.172 N/A MET 177.A N MET 173.A O no hydrogen 3.171 N/A ARG 178.A N GLU 174.A O no hydrogen 3.126 N/A SER 179.A OG THR 175.A O no hydrogen 3.273 N/A SER 179.A OG ARG 178.A O no hydrogen 2.623 N/A SER 186.A OG ASP 184.A OD1 no hydrogen 2.728 N/A ALA 198.A N VAL 316.A O no hydrogen 2.896 N/A LEU 200.A N LEU 318.A O no hydrogen 2.933 N/A HIS 201.A N ASN 185.A O no hydrogen 2.609 N/A ALA 202.A N THR 320.A O no hydrogen 3.278 N/A SER 206.A N PRO 203.A O no hydrogen 2.786 N/A SER 206.A OG PRO 203.A O no hydrogen 3.328 N/A LYS 208.A NZ ASP 288.A OD1 no hydrogen 2.713 N/A SER 209.A OG ASN 227.A OD1 no hydrogen 3.208 N/A SER 209.A OG ASP 288.A OD2 no hydrogen 2.946 N/A THR 210.A N GLY 207.A O no hydrogen 2.935 N/A VAL 212.A N GLY 207.A O no hydrogen 3.132 N/A ALA 214.A N THR 210.A O no hydrogen 3.148 N/A ALA 215.A N LYS 211.A O no hydrogen 3.026 N/A TYR 216.A N VAL 212.A O no hydrogen 3.104 N/A TYR 216.A OH PRO 189.A O no hydrogen 2.448 N/A ALA 217.A N PRO 213.A O no hydrogen 3.098 N/A ALA 218.A N ALA 214.A O no hydrogen 2.534 N/A GLN 219.A N ALA 215.A O no hydrogen 2.979 N/A GLY 220.A N ALA 217.A O no hydrogen 2.677 N/A LYS 222.A N ASP 283.A OD2 no hydrogen 3.182 N/A VAL 223.A N PRO 262.A O no hydrogen 3.179 N/A LEU 224.A N ILE 284.A O no hydrogen 2.990 N/A VAL 225.A N THR 264.A O no hydrogen 2.803 N/A LEU 226.A N ILE 286.A O no hydrogen 2.940 N/A ASN 227.A N SER 266.A O no hydrogen 2.899 N/A SER 229.A OG THR 414.A O no hydrogen 2.771 N/A ALA 232.A N SER 229.A OG no hydrogen 2.739 N/A THR 233.A N SER 229.A O no hydrogen 3.279 N/A THR 233.A OG1 SER 229.A O no hydrogen 3.048 N/A LEU 234.A N VAL 230.A O no hydrogen 3.121 N/A GLY 235.A N ALA 231.A O no hydrogen 3.069 N/A PHE 236.A N ALA 232.A O no hydrogen 2.969 N/A GLY 237.A N THR 233.A O no hydrogen 3.258 N/A ALA 238.A N LEU 234.A O no hydrogen 2.980 N/A TYR 239.A N GLY 235.A O no hydrogen 3.064 N/A MET 240.A N PHE 236.A O no hydrogen 2.998 N/A SER 241.A N GLY 237.A O no hydrogen 3.011 N/A SER 241.A OG GLY 237.A O no hydrogen 3.564 N/A SER 241.A OG ALA 238.A O no hydrogen 3.005 N/A LYS 242.A N ALA 238.A O no hydrogen 3.108 N/A HIS 244.A N LYS 242.A O no hydrogen 2.594 N/A GLY 245.A N SER 241.A O no hydrogen 3.226 N/A GLY 245.A N LYS 242.A O no hydrogen 3.130 N/A ASN 249.A N VAL 263.A O no hydrogen 3.095 N/A ILE 250.A N ILE 257.A O no hydrogen 3.086 N/A ARG 251.A N TYR 265.A O no hydrogen 2.930 N/A ARG 251.A NE ASP 274.A OD2 no hydrogen 2.771 N/A ARG 251.A NH2 ASP 274.A OD1 no hydrogen 3.347 N/A ARG 251.A NH2 ASP 274.A OD2 no hydrogen 3.188 N/A THR 252.A OG1 ARG 255.A O no hydrogen 2.886 N/A ARG 255.A N THR 252.A OG1 no hydrogen 2.957 N/A THR 256.A OG1 THR 252.A O no hydrogen 3.166 N/A ILE 257.A N ILE 250.A O no hydrogen 2.881 N/A THR 259.A OG1 ASP 247.A O no hydrogen 2.771 N/A ALA 261.A N THR 259.A OG1 no hydrogen 2.775 N/A THR 264.A N VAL 223.A O no hydrogen 3.037 N/A THR 264.A OG1 TYR 282.A OH no hydrogen 2.668 N/A TYR 265.A N ASN 249.A O no hydrogen 2.722 N/A TYR 265.A OH SER 209.A O no hydrogen 2.772 N/A SER 266.A N VAL 225.A O no hydrogen 2.888 N/A SER 266.A OG ARG 251.A O no hydrogen 3.063 N/A SER 266.A OG THR 267.A O no hydrogen 2.950 N/A THR 267.A N ARG 251.A O no hydrogen 3.418 N/A TYR 268.A N ASN 227.A O no hydrogen 3.237 N/A TYR 268.A OH ASP 288.A O no hydrogen 2.910 N/A LYS 270.A N THR 267.A OG1 no hydrogen 3.258 N/A PHE 271.A N THR 267.A O no hydrogen 3.309 N/A LEU 272.A N TYR 268.A O no hydrogen 2.911 N/A ALA 273.A N GLY 269.A O no hydrogen 2.719 N/A ASP 274.A N LYS 270.A O no hydrogen 2.610 N/A ASP 274.A N PHE 271.A O no hydrogen 3.148 N/A GLY 275.A N LEU 272.A O no hydrogen 3.169 N/A GLY 276.A N PHE 271.A O no hydrogen 2.820 N/A CYS 277.A N GLN 307.A OE1 no hydrogen 3.029 N/A GLY 280.A N ALA 311.A O no hydrogen 3.271 N/A ALA 281.A N SER 278.A O no hydrogen 3.004 N/A TYR 282.A OH THR 264.A OG1 no hydrogen 2.668 N/A ASP 283.A N LYS 222.A O no hydrogen 2.810 N/A ILE 284.A N LYS 222.A O no hydrogen 3.178 N/A ILE 285.A N LEU 315.A O no hydrogen 2.924 N/A ILE 286.A N LEU 224.A O no hydrogen 2.855 N/A CYS 287.A N VAL 317.A O no hydrogen 2.864 N/A ASP 288.A N LEU 226.A O no hydrogen 3.070 N/A GLU 289.A N ASP 288.A OD1 no hydrogen 2.931 N/A CYS 290.A N ALA 319.A O no hydrogen 3.234 N/A CYS 290.A SG CYS 287.A O no hydrogen 4.040 N/A CYS 290.A SG ALA 319.A O no hydrogen 3.264 N/A SER 292.A N GLU 289.A O no hydrogen 2.859 N/A SER 292.A OG GLU 289.A O no hydrogen 2.561 N/A THR 296.A OG1 ASP 294.A OD2 no hydrogen 3.316 N/A THR 297.A N ASP 294.A OD2 no hydrogen 2.894 N/A THR 297.A OG1 ASP 294.A OD1 no hydrogen 2.563 N/A THR 297.A OG1 ASP 294.A OD2 no hydrogen 2.687 N/A ILE 298.A N ASP 294.A O no hydrogen 2.999 N/A LEU 299.A N SER 295.A O no hydrogen 2.804 N/A GLY 300.A N THR 296.A O no hydrogen 2.816 N/A ILE 301.A N THR 297.A O no hydrogen 3.050 N/A GLY 302.A N ILE 298.A O no hydrogen 3.043 N/A THR 303.A N LEU 299.A O no hydrogen 2.824 N/A THR 303.A OG1 LEU 299.A O no hydrogen 3.265 N/A VAL 304.A N GLY 300.A O no hydrogen 2.923 N/A LEU 305.A N ILE 301.A O no hydrogen 2.833 N/A ASP 306.A N GLY 302.A O no hydrogen 2.744 N/A GLN 307.A N THR 303.A O no hydrogen 2.720 N/A GLN 307.A N VAL 304.A O no hydrogen 3.128 N/A ALA 308.A N VAL 304.A O no hydrogen 2.687 N/A ALA 311.A N GLN 307.A O no hydrogen 3.026 N/A GLY 312.A N GLU 309.A O no hydrogen 3.017 N/A ALA 313.A N ALA 308.A O no hydrogen 2.999 N/A ARG 314.A N ASP 283.A O no hydrogen 2.642 N/A ARG 314.A NH1 GLN 193.A O no hydrogen 3.175 N/A LEU 315.A N ASP 283.A O no hydrogen 3.215 N/A VAL 316.A N GLN 196.A O no hydrogen 3.053 N/A VAL 317.A N ILE 285.A O no hydrogen 2.986 N/A LEU 318.A N ALA 198.A O no hydrogen 2.896 N/A ALA 319.A N CYS 287.A O no hydrogen 2.951 N/A THR 320.A N LEU 200.A O no hydrogen 3.052 N/A THR 322.A N THR 320.A OG1 no hydrogen 2.955 N/A GLY 325.A N SER 481.A OG no hydrogen 3.277 N/A SER 326.A N PRO 323.A O no hydrogen 2.886 N/A SER 326.A OG PRO 323.A O no hydrogen 2.949 N/A THR 328.A OG1 GLU 478.A OE2 no hydrogen 2.873 N/A VAL 329.A N VAL 327.A O no hydrogen 3.194 N/A ASN 333.A N HIS 331.A ND1 no hydrogen 3.303 N/A ASN 333.A ND2 GLY 464.A O no hydrogen 3.328 N/A ASN 333.A ND2 ARG 467.A O no hydrogen 2.886 N/A VAL 337.A N TYR 471.A O no hydrogen 2.630 N/A LEU 339.A N PHE 473.A O no hydrogen 3.097 N/A ILE 345.A N ILE 352.A O no hydrogen 2.950 N/A PHE 347.A N LYS 350.A O no hydrogen 2.623 N/A LYS 350.A N PHE 347.A O no hydrogen 3.105 N/A ALA 351.A N SER 340.A O no hydrogen 2.596 N/A ILE 352.A N ILE 345.A O no hydrogen 2.613 N/A ILE 354.A N GLU 344.A OE1 no hydrogen 2.614 N/A ALA 356.A N PRO 353.A O no hydrogen 3.203 N/A ILE 357.A N ILE 354.A O no hydrogen 2.590 N/A GLY 360.A N ASP 403.A OD2 no hydrogen 2.686 N/A ARG 361.A N ASP 421.A OD2 no hydrogen 2.994 N/A ARG 361.A NH1 PRO 399.A O no hydrogen 3.327 N/A ARG 361.A NH1 GLY 402.A O no hydrogen 3.419 N/A ARG 361.A NH2 PRO 399.A O no hydrogen 3.144 N/A HIS 362.A N VAL 404.A O no hydrogen 2.996 N/A HIS 362.A ND1 SER 422.A OG no hydrogen 2.415 N/A HIS 362.A NE2 GLY 359.A O no hydrogen 3.062 N/A LEU 363.A N SER 422.A O no hydrogen 3.113 N/A ILE 364.A N VAL 406.A O no hydrogen 2.673 N/A PHE 365.A N ILE 424.A O no hydrogen 2.710 N/A CYS 366.A N ALA 408.A O no hydrogen 2.819 N/A HIS 367.A N TYR 348.A OH no hydrogen 2.947 N/A CYS 372.A N SER 368.A O no hydrogen 3.149 N/A CYS 372.A SG SER 368.A O no hydrogen 3.376 N/A CYS 372.A SG VAL 407.A O no hydrogen 3.585 N/A ASP 373.A N LYS 369.A O no hydrogen 3.102 N/A GLU 374.A N LYS 370.A O no hydrogen 2.984 N/A LEU 375.A N LYS 371.A O no hydrogen 2.895 N/A ALA 376.A N CYS 372.A O no hydrogen 2.731 N/A ALA 377.A N ASP 373.A O no hydrogen 2.971 N/A LYS 378.A N GLU 374.A O no hydrogen 3.221 N/A LEU 379.A N LEU 375.A O no hydrogen 3.221 N/A LEU 379.A N ALA 376.A O no hydrogen 2.814 N/A SER 380.A N ALA 376.A O no hydrogen 2.951 N/A SER 380.A OG ALA 376.A O no hydrogen 3.154 N/A SER 380.A OG ALA 377.A O no hydrogen 3.054 N/A GLY 381.A N LYS 378.A O no hydrogen 3.262 N/A LEU 382.A N LYS 378.A O no hydrogen 3.427 N/A ILE 384.A N LEU 379.A O no hydrogen 2.761 N/A ASN 385.A ND2 ASP 403.A O no hydrogen 2.471 N/A TYR 389.A N VAL 407.A O no hydrogen 3.196 N/A TYR 390.A OH ASP 373.A OD1 no hydrogen 3.169 N/A LEU 393.A N TYR 390.A O no hydrogen 3.054 N/A SER 396.A N ASP 394.A OD2 no hydrogen 3.063 N/A SER 396.A OG ASP 394.A OD2 no hydrogen 2.508 N/A VAL 397.A N ASP 394.A O no hydrogen 3.002 N/A VAL 404.A N GLY 360.A O no hydrogen 2.996 N/A VAL 405.A N ASN 385.A O no hydrogen 2.922 N/A VAL 406.A N HIS 362.A O no hydrogen 2.566 N/A VAL 407.A N VAL 387.A O no hydrogen 2.823 N/A ALA 408.A N ILE 364.A O no hydrogen 2.833 N/A ALA 411.A N THR 409.A OG1 no hydrogen 3.208 N/A LEU 412.A N THR 409.A O no hydrogen 3.218 N/A MET 413.A N ASP 410.A O no hydrogen 2.801 N/A THR 414.A N ALA 411.A O no hydrogen 3.211 N/A THR 414.A OG1 ALA 411.A O no hydrogen 3.210 N/A GLY 415.A N ALA 411.A O no hydrogen 3.121 N/A TYR 416.A N LEU 412.A O no hydrogen 2.994 N/A PHE 420.A N ARG 462.A O no hydrogen 3.007 N/A ASP 421.A N ARG 361.A O no hydrogen 3.021 N/A SER 422.A OG HIS 362.A ND1 no hydrogen 2.415 N/A VAL 423.A N ILE 470.A O no hydrogen 3.137 N/A ILE 424.A N LEU 363.A O no hydrogen 2.741 N/A ASP 425.A N ARG 472.A O no hydrogen 2.916 N/A CYS 426.A SG PHE 365.A O no hydrogen 3.733 N/A CYS 426.A SG THR 428.A O no hydrogen 3.836 N/A CYS 426.A SG THR 428.A OG1 no hydrogen 3.775 N/A ASN 427.A N ASP 425.A OD1 no hydrogen 3.044 N/A ASN 427.A ND2 GLN 451.A OE1 no hydrogen 2.487 N/A CYS 429.A N VAL 449.A O no hydrogen 2.787 N/A THR 431.A N THR 447.A O no hydrogen 2.754 N/A THR 431.A OG1 GLN 432.A O no hydrogen 3.374 N/A THR 433.A N GLU 445.A O no hydrogen 2.820 N/A VAL 434.A N ASP 485.A OD2 no hydrogen 3.107 N/A ASP 435.A N THR 443.A O no hydrogen 2.771 N/A SER 437.A N ASP 435.A O no hydrogen 2.835 N/A SER 437.A OG ASP 435.A O no hydrogen 3.235 N/A SER 437.A OG ASP 439.A OD1 no hydrogen 2.597 N/A SER 437.A OG ASP 439.A OD2 no hydrogen 3.192 N/A SER 437.A OG THR 443.A OG1 no hydrogen 2.700 N/A LEU 438.A N THR 441.A O no hydrogen 2.929 N/A THR 441.A OG1 LEU 597.A O no hydrogen 2.580 N/A THR 443.A N ASP 435.A O no hydrogen 2.807 N/A THR 443.A OG1 SER 437.A OG no hydrogen 2.700 N/A ILE 444.A N ARG 599.A O no hydrogen 2.802 N/A GLU 445.A N THR 433.A O no hydrogen 2.975 N/A THR 447.A N THR 431.A O no hydrogen 2.827 N/A THR 448.A OG1 HIS 367.A ND1 no hydrogen 3.275 N/A VAL 449.A N CYS 429.A O no hydrogen 2.666 N/A GLN 451.A N ASN 427.A O no hydrogen 3.001 N/A GLN 451.A NE2 ASP 425.A OD2 no hydrogen 2.916 N/A GLN 451.A NE2 SER 455.A OG no hydrogen 3.187 N/A ALA 453.A N ARG 479.A O no hydrogen 3.243 N/A VAL 454.A N ASP 452.A OD2 no hydrogen 3.242 N/A SER 455.A N ASP 452.A OD1 no hydrogen 2.965 N/A ARG 456.A N ASP 452.A O no hydrogen 3.116 N/A ARG 456.A NH1 THR 475.A O no hydrogen 3.405 N/A ARG 456.A NH2 THR 475.A O no hydrogen 3.250 N/A SER 457.A N ALA 453.A O no hydrogen 2.934 N/A GLN 458.A N VAL 454.A O no hydrogen 2.714 N/A ARG 459.A N SER 455.A O no hydrogen 2.907 N/A ARG 459.A NE ASP 410.A OD1 no hydrogen 2.906 N/A ARG 459.A NH1 THR 428.A O no hydrogen 3.419 N/A ARG 459.A NH2 THR 428.A O no hydrogen 3.392 N/A ARG 460.A N ARG 456.A O no hydrogen 2.800 N/A ARG 460.A NH1 VAL 329.A O no hydrogen 3.158 N/A ARG 460.A NH1 GLU 336.A OE1 no hydrogen 3.469 N/A ARG 460.A NH2 VAL 329.A O no hydrogen 3.153 N/A GLY 461.A N SER 457.A O no hydrogen 2.748 N/A ARG 462.A N ARG 459.A O no hydrogen 3.475 N/A ARG 462.A NH1 TYR 416.A O no hydrogen 3.315 N/A ARG 462.A NH2 TYR 416.A O no hydrogen 2.997 N/A THR 463.A N ARG 460.A O no hydrogen 3.170 N/A THR 463.A OG1 PHE 420.A O no hydrogen 2.938 N/A THR 463.A OG1 ASP 421.A O no hydrogen 3.122 N/A ARG 465.A NE GLY 461.A O no hydrogen 3.287 N/A ARG 465.A NH1 THR 417.A O no hydrogen 3.309 N/A ARG 467.A NH1 ASP 421.A OD1 no hydrogen 3.030 N/A ARG 467.A NH2 ASP 421.A OD1 no hydrogen 3.178 N/A ILE 470.A N ASP 421.A O no hydrogen 3.061 N/A TYR 471.A N GLU 335.A O no hydrogen 2.667 N/A TYR 471.A OH ASP 425.A OD2 no hydrogen 2.713 N/A ARG 472.A N VAL 423.A O no hydrogen 2.959 N/A PHE 473.A N VAL 337.A O no hydrogen 3.432 N/A VAL 474.A N ASP 425.A O no hydrogen 3.045 N/A THR 475.A N ASN 427.A OD1 no hydrogen 3.008 N/A ARG 479.A N GLN 451.A O no hydrogen 3.021 N/A ARG 479.A NE PRO 450.A O no hydrogen 2.776 N/A PHE 484.A N VAL 522.A O no hydrogen 3.109 N/A SER 486.A OG HIS 526.A ND1 no hydrogen 2.556 N/A SER 487.A N ASP 485.A OD2 no hydrogen 3.045 N/A SER 487.A OG GLN 432.A O no hydrogen 2.892 N/A SER 487.A OG ASP 485.A OD2 no hydrogen 3.197 N/A VAL 488.A N ASP 485.A O no hydrogen 2.828 N/A CYS 490.A N SER 486.A O no hydrogen 3.167 N/A GLU 491.A N SER 487.A O no hydrogen 2.926 N/A CYS 492.A N VAL 488.A O no hydrogen 3.038 N/A CYS 492.A SG SER 295.A O no hydrogen 3.528 N/A CYS 492.A SG VAL 488.A O no hydrogen 3.374 N/A TYR 493.A N LEU 489.A O no hydrogen 3.097 N/A TYR 493.A OH SER 508.A OG no hydrogen 2.790 N/A ASP 494.A N CYS 490.A O no hydrogen 3.016 N/A ALA 495.A N GLU 491.A O no hydrogen 2.841 N/A GLY 496.A N CYS 492.A O no hydrogen 2.937 N/A CYS 497.A N TYR 493.A O no hydrogen 2.886 N/A CYS 497.A SG TYR 493.A O no hydrogen 3.432 N/A ALA 498.A N ASP 494.A O no hydrogen 2.709 N/A TRP 499.A N ALA 495.A O no hydrogen 2.617 N/A TYR 500.A N ALA 495.A O no hydrogen 3.282 N/A TYR 500.A N GLY 496.A O no hydrogen 3.340 N/A LEU 502.A N GLY 496.A O no hydrogen 2.986 N/A THR 503.A N GLU 506.A OE1 no hydrogen 2.817 N/A THR 503.A OG1 GLU 506.A OE1 no hydrogen 3.145 N/A GLU 506.A N THR 503.A OG1 no hydrogen 3.391 N/A THR 507.A N THR 503.A O no hydrogen 3.051 N/A THR 507.A OG1 THR 503.A O no hydrogen 3.179 N/A SER 508.A N PRO 504.A O no hydrogen 2.827 N/A SER 508.A OG TYR 493.A OH no hydrogen 2.790 N/A SER 508.A OG PRO 504.A O no hydrogen 3.516 N/A SER 508.A OG GLU 531.A OE1 no hydrogen 2.859 N/A VAL 509.A N ALA 505.A O no hydrogen 3.379 N/A ARG 510.A N GLU 506.A O no hydrogen 3.284 N/A LEU 511.A N THR 507.A O no hydrogen 2.955 N/A ARG 512.A N SER 508.A O no hydrogen 2.732 N/A ARG 512.A NH1 ASP 525.A OD2 no hydrogen 2.844 N/A ARG 512.A NH2 ASP 525.A OD2 no hydrogen 3.114 N/A ALA 513.A N VAL 509.A O no hydrogen 3.079 N/A TYR 514.A N ARG 510.A O no hydrogen 3.177 N/A LEU 515.A N LEU 511.A O no hydrogen 2.853 N/A ASN 516.A N ARG 512.A O no hydrogen 3.056 N/A THR 517.A N ALA 513.A O no hydrogen 3.248 N/A THR 517.A N TYR 514.A O no hydrogen 3.320 N/A THR 517.A OG1 ALA 513.A O no hydrogen 2.763 N/A GLY 519.A N ASP 77.A OD1 no hydrogen 3.407 N/A GLY 519.A N ASP 77.A OD2 no hydrogen 2.929 N/A VAL 522.A N GLY 482.A O no hydrogen 2.709 N/A CYS 523.A SG PHE 484.A O no hydrogen 3.959 N/A CYS 523.A SG GLN 524.A O no hydrogen 3.221 N/A HIS 526.A ND1 SER 486.A OG no hydrogen 2.556 N/A HIS 526.A NE2 GLU 626.A O no hydrogen 2.887 N/A LEU 527.A N ASP 525.A OD1 no hydrogen 3.186 N/A TRP 530.A N HIS 526.A O no hydrogen 3.215 N/A TRP 530.A NE1 SER 486.A OG no hydrogen 3.149 N/A GLU 531.A N LEU 527.A O no hydrogen 2.986 N/A SER 532.A N GLU 528.A O no hydrogen 2.981 N/A SER 532.A OG GLU 528.A O no hydrogen 3.334 N/A SER 532.A OG PHE 529.A O no hydrogen 2.181 N/A VAL 533.A N PHE 529.A O no hydrogen 3.092 N/A PHE 534.A N TRP 530.A O no hydrogen 2.969 N/A THR 535.A N GLU 531.A O no hydrogen 3.015 N/A THR 535.A OG1 GLU 531.A O no hydrogen 2.864 N/A GLY 536.A N SER 532.A O no hydrogen 3.312 N/A LEU 537.A N PHE 534.A O no hydrogen 3.031 N/A ASP 541.A N THR 564.A OG1 no hydrogen 3.059 N/A PHE 544.A N ASP 541.A OD1 no hydrogen 3.029 N/A LEU 545.A N ASP 541.A O no hydrogen 2.974 N/A SER 546.A N ALA 542.A O no hydrogen 2.962 N/A SER 546.A OG ALA 542.A O no hydrogen 3.511 N/A SER 546.A OG HIS 543.A O no hydrogen 3.004 N/A GLN 547.A N HIS 543.A O no hydrogen 3.227 N/A GLN 547.A N PHE 544.A O no hydrogen 3.117 N/A THR 548.A N PHE 544.A O no hydrogen 3.027 N/A THR 548.A OG1 PHE 544.A O no hydrogen 3.389 N/A THR 548.A OG1 LEU 545.A O no hydrogen 3.048 N/A THR 548.A OG1 PRO 556.A O no hydrogen 3.005 N/A LYS 549.A N LEU 545.A O no hydrogen 2.929 N/A LYS 549.A NZ ALA 498.A O no hydrogen 2.632 N/A GLN 550.A N SER 546.A O no hydrogen 2.996 N/A ALA 551.A N GLN 547.A O no hydrogen 2.881 N/A GLY 552.A N LYS 549.A O no hydrogen 3.248 N/A TYR 557.A N ASP 494.A OD1 no hydrogen 2.714 N/A TYR 557.A OH LEU 537.A O no hydrogen 2.761 N/A LEU 558.A N ASP 494.A OD2 no hydrogen 3.040 N/A VAL 559.A N PHE 555.A O no hydrogen 2.874 N/A ALA 560.A N PRO 556.A O no hydrogen 2.998 N/A TYR 561.A N TYR 557.A O no hydrogen 2.926 N/A TYR 561.A OH THR 538.A O no hydrogen 2.517 N/A GLN 562.A N LEU 558.A O no hydrogen 3.006 N/A GLN 562.A NE2 GLN 562.A O no hydrogen 2.669 N/A GLN 562.A NE2 PRO 595.A O no hydrogen 3.358 N/A ALA 563.A N VAL 559.A O no hydrogen 2.925 N/A THR 564.A N ALA 560.A O no hydrogen 2.800 N/A THR 564.A OG1 ALA 560.A O no hydrogen 2.867 N/A VAL 565.A N TYR 561.A O no hydrogen 3.139 N/A CYS 566.A N GLN 562.A O no hydrogen 3.234 N/A CYS 566.A SG GLN 562.A O no hydrogen 3.167 N/A CYS 566.A SG PRO 572.A O no hydrogen 3.771 N/A ALA 567.A N ALA 563.A O no hydrogen 2.906 N/A ARG 568.A N THR 564.A O no hydrogen 3.036 N/A ARG 568.A NH1 HIS 539.A O no hydrogen 2.995 N/A ARG 568.A NH2 HIS 539.A O no hydrogen 3.449 N/A ALA 569.A N CYS 566.A O no hydrogen 2.846 N/A GLN 570.A N ALA 567.A O no hydrogen 2.991 N/A ALA 571.A N CYS 566.A O no hydrogen 2.875 N/A ASP 577.A N SER 575.A OG no hydrogen 2.856 N/A MET 579.A N ASP 577.A OD2 no hydrogen 3.193 N/A TRP 580.A N ASP 577.A O no hydrogen 2.916 N/A LYS 581.A N GLN 578.A O no hydrogen 3.042 N/A LEU 583.A N TRP 580.A O no hydrogen 2.875 N/A ILE 584.A N LYS 581.A O no hydrogen 3.043 N/A LEU 586.A N LEU 583.A O no hydrogen 3.011 N/A LYS 587.A N ILE 584.A O no hydrogen 2.731 N/A THR 589.A N LEU 586.A O no hydrogen 3.000 N/A THR 589.A OG1 LEU 586.A O no hydrogen 2.808 N/A LEU 590.A N LYS 587.A O no hydrogen 3.214 N/A HIS 591.A N GLN 570.A O no hydrogen 3.017 N/A THR 594.A N GLU 606.A O no hydrogen 2.758 N/A LEU 596.A N THR 608.A O no hydrogen 3.296 N/A LEU 597.A N GLN 562.A OE1 no hydrogen 2.958 N/A TYR 598.A OH LEU 558.A O no hydrogen 2.496 N/A ARG 599.A N PHE 442.A O no hydrogen 3.001 N/A ARG 599.A NE ASP 439.A O no hydrogen 2.707 N/A ARG 599.A NH2 ASP 439.A O no hydrogen 2.987 N/A GLN 604.A N PRO 574.A O no hydrogen 2.471 N/A ASN 605.A N PRO 574.A O no hydrogen 3.415 N/A ASN 605.A ND2 GLY 592.A O no hydrogen 2.536 N/A THR 610.A OG1 THR 608.A OG1 no hydrogen 3.182 N/A ILE 613.A N HIS 611.A ND1 no hydrogen 3.145 N/A THR 614.A OG1 LEU 596.A O no hydrogen 2.580 N/A LYS 615.A N HIS 611.A O no hydrogen 3.104 N/A TYR 616.A N PRO 612.A O no hydrogen 2.826 N/A TYR 616.A OH SER 532.A O no hydrogen 2.684 N/A ILE 617.A N ILE 613.A O no hydrogen 2.907 N/A MET 618.A N THR 614.A O no hydrogen 2.708 N/A ALA 619.A N LYS 615.A O no hydrogen 2.851 N/A CYS 620.A N TYR 616.A O no hydrogen 3.027 N/A CYS 620.A SG SER 532.A OG no hydrogen 3.577 N/A CYS 620.A SG TYR 616.A O no hydrogen 3.524 N/A MET 621.A N ILE 617.A O no hydrogen 3.142 N/A MET 621.A N MET 618.A O no hydrogen 3.204 N/A SER 622.A N ALA 619.A O no hydrogen 2.910 N/A SER 622.A OG ALA 619.A O no hydrogen 3.538 N/A ALA 623.A N CYS 620.A O no hydrogen 2.887 N/A LEU 625.A N CYS 157.A O no hydrogen 2.859 N/A VAL 627.A N ALA 155.A O no hydrogen 2.813 N/A LEU 630.A N SER 137.A OG no hydrogen 1.940 N/A SER 632.A N SER 18.A O no hydrogen 2.905 N/A SER 632.A OG THR 61.A OG1 no hydrogen 2.548 N/A VAL 633.A N THR 61.A O no hydrogen 2.809 N/A VAL 634.A N SER 35.A O no hydrogen 3.002 N/A VAL 636.A N VAL 33.A O no hydrogen 2.903 N/A ARG 638.A N GLN 6.A O no hydrogen 2.871 N/A ARG 638.A NH1 GLN 6.A OE1 no hydrogen 3.383 N/A ARG 638.A NH2 GLN 26.A O no hydrogen 3.284 N/A ILE 639.A N VAL 31.A O no hydrogen 3.167 N/A ILE 640.A N TYR 4.A O no hydrogen 2.567 N/A SER 642.A N THR 2.A O no hydrogen 2.675 N/A SER 642.A OG SER 644.A O no hydrogen 3.490 N/A SER 642.A OG SER 646.A O no hydrogen 2.769 N/A