Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N THR 39.A O no hydrogen 3.125 N/A GLY 15.A N GLU 12.A O no hydrogen 2.918 N/A ASP 17.A N THR 13.A O no hydrogen 3.026 N/A HIS 18.A N ASN 14.A O no hydrogen 2.308 N/A HIS 18.A NE2 PRO 35.A O no hydrogen 3.119 N/A HIS 19.A N ARG 16.A O no hydrogen 3.279 N/A THR 20.A N GLY 15.A O no hydrogen 2.953 N/A THR 20.A OG1 VAL 29.A O no hydrogen 2.697 N/A CYS 24.A N ALA 21.A O no hydrogen 2.918 N/A CYS 24.A SG THR 20.A O no hydrogen 3.247 N/A CYS 24.A SG THR 20.A OG1 no hydrogen 3.620 N/A CYS 24.A SG VAL 29.A O no hydrogen 3.673 N/A ARG 25.A N LEU 23.A O no hydrogen 2.848 N/A LYS 27.A NZ ASP 188.A OD1 no hydrogen 2.802 N/A VAL 30.A N ILE 133.A O no hydrogen 2.952 N/A ARG 31.A N HIS 18.A ND1 no hydrogen 3.117 N/A ARG 31.A NE HIS 18.A O no hydrogen 2.979 N/A ARG 31.A NH1 PHE 136.A O no hydrogen 3.288 N/A ARG 31.A NH2 HIS 19.A O no hydrogen 3.157 N/A ARG 32.A N LEU 135.A O no hydrogen 2.694 N/A ARG 32.A NE ASP 143.A OD2 no hydrogen 2.891 N/A ARG 32.A NH1 ALA 107.A O no hydrogen 2.989 N/A ARG 32.A NH1 SER 212.A O no hydrogen 2.590 N/A ARG 32.A NH2 ASP 143.A OD1 no hydrogen 2.956 N/A ARG 32.A NH2 SER 212.A O no hydrogen 3.129 N/A GLY 33.A N THR 103.A OG1 no hydrogen 3.366 N/A GLN 34.A NE2 ASP 17.A O no hydrogen 3.103 N/A PHE 36.A N LEU 101.A O no hydrogen 2.836 N/A LEU 38.A N LEU 99.A O no hydrogen 3.110 N/A THR 39.A N LEU 9.A O no hydrogen 2.977 N/A THR 39.A OG1 HIS 41.A NE2 no hydrogen 3.154 N/A LEU 40.A N LEU 97.A O no hydrogen 2.786 N/A HIS 41.A N CYS 7.A O no hydrogen 3.290 N/A PHE 42.A N CYS 95.A O no hydrogen 2.819 N/A GLU 43.A N LEU 4.A O no hydrogen 2.844 N/A ARG 45.A NE ASN 46.A O no hydrogen 3.347 N/A ARG 45.A NH1 GLU 1.A O no hydrogen 2.357 N/A ARG 45.A NH2 GLU 1.A O no hydrogen 3.414 N/A ARG 45.A NH2 ASP 52.A OD1 no hydrogen 2.496 N/A ASN 46.A ND2 ASP 94.A O no hydrogen 2.818 N/A TYR 47.A N ASN 46.A OD1 no hydrogen 2.483 N/A GLU 48.A N ASP 52.A OD1 no hydrogen 3.015 N/A VAL 51.A N GLU 48.A O no hydrogen 2.713 N/A THR 55.A N GLU 117.A O no hydrogen 3.310 N/A THR 55.A OG1 PHE 74.A O no hydrogen 3.476 N/A PHE 56.A N PHE 74.A O no hydrogen 2.660 N/A SER 57.A N SER 115.A O no hydrogen 3.194 N/A SER 57.A OG SER 115.A OG no hydrogen 2.958 N/A VAL 58.A N ALA 72.A O no hydrogen 2.822 N/A THR 60.A N THR 70.A O no hydrogen 3.339 N/A ALA 68.A N SER 65.A OG no hydrogen 2.705 N/A GLY 69.A N GLN 66.A O no hydrogen 3.203 N/A THR 70.A N SER 65.A O no hydrogen 3.073 N/A ALA 72.A N VAL 58.A O no hydrogen 3.080 N/A PHE 74.A N PHE 56.A O no hydrogen 2.737 N/A LEU 76.A N LEU 54.A O no hydrogen 2.971 N/A ARG 77.A N ALA 87.A O no hydrogen 3.225 N/A ARG 77.A NH2 VAL 80.A O no hydrogen 2.889 N/A THR 86.A N THR 102.A O no hydrogen 3.123 N/A VAL 89.A N ARG 77.A O no hydrogen 3.271 N/A VAL 90.A N SER 98.A O no hydrogen 2.859 N/A ASP 91.A N SER 98.A O no hydrogen 3.059 N/A GLN 93.A N THR 96.A O no hydrogen 3.392 N/A CYS 95.A SG GLY 44.A O no hydrogen 2.755 N/A THR 96.A N GLN 93.A O no hydrogen 2.801 N/A THR 96.A OG1 GLN 93.A O no hydrogen 3.375 N/A LEU 97.A N LEU 40.A O no hydrogen 2.632 N/A SER 98.A N ASP 91.A O no hydrogen 2.816 N/A LEU 99.A N LEU 38.A O no hydrogen 3.187 N/A GLN 100.A N THR 88.A O no hydrogen 2.857 N/A LEU 101.A N PHE 36.A O no hydrogen 3.158 N/A THR 102.A N THR 86.A O no hydrogen 2.941 N/A THR 103.A OG1 PRO 104.A O no hydrogen 3.385 N/A ILE 109.A N ARG 211.A O no hydrogen 2.911 N/A GLY 110.A N LEU 134.A O no hydrogen 3.064 N/A TYR 112.A N PHE 132.A O no hydrogen 2.785 N/A TYR 112.A OH PRO 108.A O no hydrogen 2.870 N/A ARG 113.A N VAL 59.A O no hydrogen 3.013 N/A LEU 114.A N GLY 130.A O no hydrogen 2.705 N/A SER 115.A N SER 57.A O no hydrogen 3.058 N/A SER 115.A OG SER 57.A O no hydrogen 3.232 N/A SER 115.A OG SER 57.A OG no hydrogen 2.958 N/A LEU 116.A N PHE 127.A O no hydrogen 2.708 N/A GLU 117.A N THR 55.A O no hydrogen 3.468 N/A ALA 118.A N SER 125.A O no hydrogen 2.618 N/A THR 120.A OG1 GLU 1.A O no hydrogen 3.553 N/A THR 120.A OG1 ASP 52.A OD2 no hydrogen 2.951 N/A PHE 127.A N LEU 116.A O no hydrogen 2.763 N/A GLY 130.A N LEU 114.A O no hydrogen 2.946 N/A PHE 132.A N TYR 112.A O no hydrogen 2.962 N/A ILE 133.A N LEU 28.A O no hydrogen 2.756 N/A LEU 134.A N GLY 110.A O no hydrogen 3.058 N/A LEU 135.A N VAL 30.A O no hydrogen 2.840 N/A PHE 136.A N LEU 288.A O no hydrogen 3.246 N/A ASN 137.A N ASP 143.A OD2 no hydrogen 2.714 N/A ASN 137.A ND2 ARG 31.A O no hydrogen 3.533 N/A ASN 137.A ND2 ARG 32.A O no hydrogen 3.237 N/A ASN 137.A ND2 GLN 34.A OE1 no hydrogen 2.974 N/A TRP 139.A N ASN 137.A OD1 no hydrogen 2.999 N/A CYS 140.A N ASN 137.A O no hydrogen 2.750 N/A CYS 140.A SG GLY 33.A O no hydrogen 3.528 N/A ASP 143.A N CYS 140.A O no hydrogen 2.466 N/A VAL 145.A N ASP 143.A OD1 no hydrogen 3.015 N/A TYR 146.A N ASP 143.A O no hydrogen 3.343 N/A LEU 147.A N ALA 138.A O no hydrogen 3.104 N/A GLU 152.A N SER 149.A O no hydrogen 2.991 N/A ARG 153.A N SER 149.A O no hydrogen 3.082 N/A ARG 153.A NE ALA 138.A O no hydrogen 3.078 N/A ARG 153.A NE LEU 147.A O no hydrogen 3.051 N/A ARG 153.A NH1 GLU 150.A OE1 no hydrogen 2.683 N/A ARG 153.A NH2 LEU 147.A O no hydrogen 2.760 N/A GLN 154.A N GLU 150.A O no hydrogen 2.760 N/A GLU 155.A N GLU 151.A O no hydrogen 2.925 N/A TYR 156.A N GLU 152.A O no hydrogen 3.090 N/A VAL 157.A N ARG 153.A O no hydrogen 2.985 N/A LEU 158.A N GLN 154.A O no hydrogen 3.060 N/A THR 159.A OG1 GLN 154.A O no hydrogen 2.795 N/A THR 159.A OG1 GLU 155.A O no hydrogen 3.125 N/A GLN 161.A NE2 ALA 624.A O no hydrogen 3.003 N/A GLY 162.A N TRP 177.A O no hydrogen 2.948 N/A ILE 164.A N ILE 175.A O no hydrogen 2.655 N/A GLN 166.A N LYS 173.A O no hydrogen 2.467 N/A SER 168.A N PHE 171.A O no hydrogen 2.997 N/A SER 168.A OG ASP 578.A O no hydrogen 2.637 N/A PHE 171.A N SER 168.A O no hydrogen 2.572 N/A LYS 173.A N GLN 166.A O no hydrogen 2.966 N/A LYS 173.A NZ GLU 582.A OE1 no hydrogen 2.472 N/A ILE 175.A N ILE 164.A O no hydrogen 2.793 N/A TRP 177.A N GLY 162.A O no hydrogen 2.754 N/A TRP 177.A NE1 SER 254.A OG no hydrogen 3.032 N/A ASN 178.A N ILE 252.A O no hydrogen 2.911 N/A ASN 178.A ND2 GLU 183.A OE1 no hydrogen 3.192 N/A ASN 178.A ND2 GLU 622.A OE2 no hydrogen 2.794 N/A GLY 180.A N GLN 160.A O no hydrogen 2.930 N/A GLN 181.A N GLN 181.A OE1 no hydrogen 2.694 N/A GLN 181.A NE2 VAL 157.A O no hydrogen 2.941 N/A GLN 181.A NE2 THR 159.A O no hydrogen 3.339 N/A PHE 182.A N GLN 160.A OE1 no hydrogen 2.956 N/A GLU 183.A N GLY 180.A O no hydrogen 2.945 N/A ILE 186.A N GLU 183.A O no hydrogen 3.252 N/A ILE 189.A N GLY 185.A O no hydrogen 3.000 N/A CYS 190.A N ILE 186.A O no hydrogen 2.945 N/A CYS 190.A SG ILE 186.A O no hydrogen 3.204 N/A LEU 191.A N LEU 187.A O no hydrogen 3.076 N/A ILE 192.A N ASP 188.A O no hydrogen 3.089 N/A LEU 193.A N ILE 189.A O no hydrogen 2.901 N/A LEU 194.A N LEU 191.A O no hydrogen 2.770 N/A ASP 195.A N LEU 191.A O no hydrogen 2.785 N/A ASN 197.A N LEU 194.A O no hydrogen 3.332 N/A ASN 197.A ND2 LEU 194.A O no hydrogen 2.949 N/A ASN 197.A ND2 ASP 207.A OD2 no hydrogen 2.653 N/A LYS 199.A N ASN 197.A OD1 no hydrogen 2.955 N/A PHE 200.A N ASN 197.A O no hydrogen 2.795 N/A LEU 201.A N ASN 197.A O no hydrogen 3.085 N/A LYS 202.A N PRO 198.A O no hydrogen 3.144 N/A ASN 203.A N LYS 199.A O no hydrogen 3.069 N/A GLY 205.A N ASN 203.A O no hydrogen 2.752 N/A CYS 208.A N ALA 204.A O no hydrogen 2.910 N/A CYS 208.A SG ALA 204.A O no hydrogen 3.190 N/A SER 209.A N GLY 205.A O no hydrogen 3.354 N/A SER 209.A OG ALA 68.A O no hydrogen 2.728 N/A ARG 210.A N ARG 206.A O no hydrogen 2.972 N/A ARG 211.A NE ASP 207.A OD1 no hydrogen 2.763 N/A ARG 211.A NH1 ASP 195.A OD1 no hydrogen 3.464 N/A ARG 211.A NH2 ASP 195.A OD1 no hydrogen 3.106 N/A SER 213.A N ARG 210.A O no hydrogen 3.277 N/A TYR 216.A N SER 213.A OG no hydrogen 3.008 N/A TYR 216.A OH ASP 207.A OD2 no hydrogen 2.549 N/A VAL 217.A N SER 213.A O no hydrogen 3.193 N/A GLY 218.A N PRO 214.A O no hydrogen 3.002 N/A ARG 219.A N VAL 215.A O no hydrogen 3.011 N/A ARG 219.A NH1 GLY 369.A O no hydrogen 3.156 N/A VAL 220.A N TYR 216.A O no hydrogen 2.685 N/A VAL 221.A N VAL 217.A O no hydrogen 2.698 N/A SER 222.A N GLY 218.A O no hydrogen 2.881 N/A GLY 223.A N ARG 219.A O no hydrogen 3.161 N/A MET 224.A N VAL 220.A O no hydrogen 2.942 N/A VAL 225.A N SER 222.A O no hydrogen 3.069 N/A ASN 226.A ND2 LEU 234.A O no hydrogen 3.281 N/A ASP 230.A N ASP 229.A OD1 no hydrogen 2.760 N/A VAL 233.A N MET 224.A O no hydrogen 3.377 N/A VAL 233.A N VAL 225.A O no hydrogen 3.071 N/A LEU 234.A N VAL 225.A O no hydrogen 2.927 N/A LEU 235.A N VAL 269.A O no hydrogen 2.833 N/A ARG 237.A NE TYR 271.A OH no hydrogen 3.478 N/A ARG 237.A NH2 ASP 239.A OD2 no hydrogen 2.963 N/A ASN 240.A ND2 CYS 551.A O no hydrogen 3.550 N/A ASN 241.A N ASP 239.A OD2 no hydrogen 3.076 N/A ASP 244.A N ASP 244.A OD1 no hydrogen 2.485 N/A GLY 245.A N TYR 242.A O no hydrogen 3.034 N/A SER 247.A OG SER 250.A OG no hydrogen 3.383 N/A SER 247.A OG GLU 554.A OE1 no hydrogen 2.512 N/A SER 247.A OG GLU 554.A OE2 no hydrogen 3.270 N/A SER 250.A N SER 247.A O no hydrogen 2.991 N/A SER 250.A OG SER 247.A OG no hydrogen 3.383 N/A TRP 251.A NE1 TYR 271.A O no hydrogen 3.001 N/A SER 254.A N ASN 178.A O no hydrogen 2.847 N/A SER 254.A OG ALA 279.A O no hydrogen 3.445 N/A SER 254.A OG THR 283.A OG1 no hydrogen 2.503 N/A ARG 259.A N VAL 255.A O no hydrogen 3.029 N/A ARG 259.A NH1 GLU 628.A O no hydrogen 3.138 N/A ARG 260.A N ASP 256.A O no hydrogen 2.732 N/A ARG 260.A NE ASP 256.A OD1 no hydrogen 2.861 N/A ARG 260.A NH2 ASP 256.A OD1 no hydrogen 3.270 N/A TRP 261.A N ILE 257.A O no hydrogen 2.831 N/A LYS 262.A N LEU 258.A O no hydrogen 3.022 N/A ASN 263.A N ARG 259.A O no hydrogen 2.722 N/A ASN 263.A ND2 ARG 259.A O no hydrogen 2.964 N/A HIS 264.A N TRP 261.A O no hydrogen 3.254 N/A HIS 264.A ND1 ASN 263.A O no hydrogen 2.758 N/A CYS 266.A N TRP 261.A O no hydrogen 2.968 N/A ARG 268.A NH1 ASP 229.A O no hydrogen 2.180 N/A VAL 269.A N VAL 233.A O no hydrogen 2.624 N/A TYR 271.A N VAL 269.A O no hydrogen 2.741 N/A TYR 271.A OH ASP 244.A OD1 no hydrogen 2.860 N/A TYR 271.A OH ASP 244.A OD2 no hydrogen 3.226 N/A GLY 272.A N LEU 235.A O no hydrogen 2.960 N/A CYS 274.A N TYR 513.A OH no hydrogen 2.897 N/A CYS 274.A SG HIS 332.A ND1 no hydrogen 3.671 N/A CYS 274.A SG TYR 513.A OH no hydrogen 3.032 N/A PHE 277.A N GLN 273.A O no hydrogen 3.050 N/A ALA 278.A N CYS 274.A O no hydrogen 3.059 N/A ALA 279.A N TRP 275.A O no hydrogen 2.911 N/A VAL 280.A N VAL 276.A O no hydrogen 3.154 N/A ALA 281.A N PHE 277.A O no hydrogen 2.948 N/A CYS 282.A N ALA 278.A O no hydrogen 2.582 N/A CYS 282.A SG THR 292.A O no hydrogen 3.497 N/A THR 283.A N ALA 279.A O no hydrogen 3.009 N/A THR 283.A OG1 PHE 179.A O no hydrogen 2.869 N/A THR 283.A OG1 SER 254.A OG no hydrogen 2.503 N/A THR 283.A OG1 ALA 279.A O no hydrogen 3.136 N/A VAL 284.A N VAL 280.A O no hydrogen 2.894 N/A LEU 285.A N ALA 281.A O no hydrogen 2.869 N/A ARG 286.A N CYS 282.A O no hydrogen 2.877 N/A ARG 286.A NE TYR 156.A O no hydrogen 3.138 N/A ARG 286.A NE THR 292.A O no hydrogen 2.817 N/A ARG 286.A NH1 THR 159.A O no hydrogen 2.757 N/A ARG 286.A NH2 THR 292.A O no hydrogen 2.700 N/A CYS 287.A N THR 283.A O no hydrogen 2.809 N/A CYS 287.A SG GLN 181.A O no hydrogen 3.437 N/A LEU 288.A N VAL 284.A O no hydrogen 2.972 N/A GLY 289.A N LEU 285.A O no hydrogen 2.720 N/A ILE 290.A N LEU 285.A O no hydrogen 3.161 N/A THR 292.A N TYR 156.A O no hydrogen 3.064 N/A THR 292.A OG1 ILE 290.A O no hydrogen 2.536 N/A THR 292.A OG1 SER 337.A OG no hydrogen 3.164 N/A ARG 293.A N GLU 336.A O no hydrogen 3.115 N/A ARG 293.A NE GLU 336.A OE1 no hydrogen 2.822 N/A ARG 293.A NH2 GLU 336.A OE1 no hydrogen 3.202 N/A VAL 295.A N TRP 334.A O no hydrogen 2.745 N/A THR 296.A N SER 424.A O no hydrogen 2.955 N/A THR 296.A OG1 TYR 165.A O no hydrogen 2.807 N/A ASN 297.A N HIS 332.A O no hydrogen 2.995 N/A ASN 297.A ND2 SER 300.A OG no hydrogen 2.936 N/A ASN 297.A ND2 GLU 393.A O no hydrogen 3.486 N/A TYR 298.A N LEU 421.A O no hydrogen 2.970 N/A TYR 298.A OH GLN 166.A O no hydrogen 2.663 N/A ASN 299.A N ASN 330.A O no hydrogen 2.903 N/A ASN 299.A ND2 ILE 418.A O no hydrogen 3.303 N/A SER 300.A N TRP 329.A O no hydrogen 2.791 N/A SER 300.A OG GLU 393.A OE1 no hydrogen 3.246 N/A ALA 301.A N GLU 393.A O no hydrogen 3.220 N/A HIS 302.A N SER 300.A O no hydrogen 2.966 N/A HIS 302.A ND1 GLU 393.A OE1 no hydrogen 3.075 N/A HIS 302.A ND1 GLU 393.A OE2 no hydrogen 2.923 N/A ASN 305.A ND2 GLU 360.A OE1 no hydrogen 2.824 N/A ASN 307.A N GLN 304.A O no hydrogen 2.892 N/A ASN 307.A ND2 LEU 309.A O no hydrogen 2.565 N/A LEU 309.A N ASN 307.A OD1 no hydrogen 2.527 N/A ILE 310.A N ASP 397.A O no hydrogen 2.731 N/A TYR 312.A N VAL 399.A O no hydrogen 2.909 N/A TYR 312.A OH GLU 326.A O no hydrogen 2.792 N/A ARG 314.A N TRP 401.A O no hydrogen 2.854 N/A ARG 314.A NE GLY 318.A O no hydrogen 2.698 N/A ARG 314.A NH1 ASP 400.A OD1 no hydrogen 2.520 N/A ARG 314.A NH2 GLY 318.A O no hydrogen 3.304 N/A ARG 314.A NH2 GLU 576.A OE2 no hydrogen 2.554 N/A ASN 315.A N GLU 319.A O no hydrogen 3.091 N/A PHE 317.A N ASN 315.A OD1 no hydrogen 2.831 N/A GLY 318.A N ASN 315.A O no hydrogen 3.031 N/A GLN 321.A N PHE 313.A O no hydrogen 2.805 N/A SER 325.A N GLY 322.A O no hydrogen 2.726 N/A TRP 329.A N SER 300.A O no hydrogen 2.892 N/A HIS 332.A N ASN 297.A O no hydrogen 3.121 N/A HIS 332.A NE2 ASP 355.A OD2 no hydrogen 2.626 N/A CYS 333.A SG THR 296.A OG1 no hydrogen 3.429 N/A TRP 334.A N VAL 295.A O no hydrogen 3.104 N/A TRP 334.A NE1 TYR 440.A OH no hydrogen 2.942 N/A VAL 335.A N LEU 354.A O no hydrogen 3.127 N/A GLU 336.A N ARG 293.A O no hydrogen 3.300 N/A SER 337.A N GLN 352.A O no hydrogen 3.062 N/A SER 337.A OG THR 292.A OG1 no hydrogen 3.164 N/A TRP 338.A N PRO 291.A O no hydrogen 3.177 N/A TRP 338.A NE1 TYR 146.A O no hydrogen 2.809 N/A MET 339.A N GLY 350.A O no hydrogen 3.074 N/A THR 340.A N ALA 144.A O no hydrogen 2.783 N/A ARG 341.A NH2 PRO 370.A O no hydrogen 2.636 N/A GLN 345.A N GLN 345.A OE1 no hydrogen 2.482 N/A TYR 348.A OH ASP 380.A OD2 no hydrogen 2.560 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.595 N/A GLY 350.A N MET 339.A O no hydrogen 3.199 N/A GLN 352.A N SER 337.A O no hydrogen 2.707 N/A GLN 352.A NE2 MET 339.A O no hydrogen 2.784 N/A GLN 352.A NE2 TYR 348.A O no hydrogen 3.552 N/A GLN 352.A NE2 GLY 350.A O no hydrogen 2.953 N/A ALA 353.A N VAL 371.A O no hydrogen 2.903 N/A LEU 354.A N VAL 335.A O no hydrogen 2.832 N/A ASP 355.A N CYS 368.A O no hydrogen 2.851 N/A THR 357.A N ASP 355.A OD1 no hydrogen 2.702 N/A GLN 359.A N TYR 366.A O no hydrogen 2.745 N/A GLU 360.A N ASP 303.A OD1 no hydrogen 3.041 N/A LYS 361.A N GLY 364.A O no hydrogen 2.433 N/A LYS 361.A NZ CYS 367.A O no hydrogen 2.610 N/A LYS 361.A NZ ASP 386.A OD1 no hydrogen 2.590 N/A GLU 363.A N LYS 361.A O no hydrogen 2.377 N/A TYR 366.A N GLN 359.A O no hydrogen 3.192 N/A CYS 368.A SG GLN 359.A OE1 no hydrogen 4.023 N/A CYS 368.A SG CYS 367.A O no hydrogen 2.868 N/A GLY 369.A N ASP 386.A OD2 no hydrogen 2.947 N/A VAL 373.A N TRP 351.A O no hydrogen 2.954 N/A ILE 376.A N PRO 372.A O no hydrogen 3.463 N/A LYS 377.A N VAL 373.A O no hydrogen 2.987 N/A LYS 377.A NZ HIS 438.A O no hydrogen 3.355 N/A GLU 378.A N ARG 374.A O no hydrogen 2.721 N/A ASP 380.A N ALA 375.A O no hydrogen 3.241 N/A LEU 381.A N GLY 379.A O no hydrogen 2.495 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 3.348 N/A THR 383.A N ASP 380.A O no hydrogen 2.819 N/A THR 383.A OG1 ASP 380.A O no hydrogen 2.548 N/A PHE 389.A N ASP 386.A O no hydrogen 2.774 N/A VAL 390.A N ASP 386.A O no hydrogen 3.236 N/A PHE 391.A N ALA 387.A O no hydrogen 3.109 N/A ALA 392.A N PRO 388.A O no hydrogen 3.248 N/A GLU 393.A N PHE 389.A O no hydrogen 3.165 N/A VAL 394.A N VAL 390.A O no hydrogen 3.397 N/A VAL 394.A N PHE 391.A O no hydrogen 3.272 N/A ASN 395.A N ALA 392.A O no hydrogen 3.174 N/A ALA 396.A N ALA 392.A O no hydrogen 2.994 N/A ASP 397.A N LEU 308.A O no hydrogen 2.784 N/A VAL 399.A N ILE 310.A O no hydrogen 2.757 N/A TRP 401.A N TYR 312.A O no hydrogen 2.851 N/A ILE 402.A N HIS 410.A O no hydrogen 2.980 N/A GLN 403.A N ARG 314.A O no hydrogen 2.946 N/A GLN 404.A N SER 408.A O no hydrogen 2.667 N/A GLN 404.A NE2 ASN 570.A OD1 no hydrogen 3.010 N/A ASP 405.A N GLN 404.A OE1 no hydrogen 3.142 N/A ASP 406.A N GLN 404.A O no hydrogen 2.791 N/A GLY 407.A N GLN 404.A O no hydrogen 3.255 N/A HIS 410.A N ILE 402.A O no hydrogen 2.728 N/A SER 412.A N ASP 400.A O no hydrogen 3.030 N/A SER 412.A OG TYR 572.A O no hydrogen 2.852 N/A ILE 413.A N TYR 572.A O no hydrogen 2.882 N/A ASN 414.A ND2 ASP 400.A OD2 no hydrogen 2.927 N/A SER 416.A OG ASN 414.A OD1 no hydrogen 2.925 N/A SER 416.A OG GLU 576.A O no hydrogen 3.123 N/A GLY 420.A N ASN 299.A O no hydrogen 2.846 N/A LEU 421.A N TYR 298.A O no hydrogen 2.877 N/A ILE 423.A N THR 437.A OG1 no hydrogen 2.916 N/A SER 424.A N THR 296.A O no hydrogen 2.833 N/A SER 424.A OG LYS 422.A O no hydrogen 2.464 N/A THR 425.A N GLU 434.A O no hydrogen 3.160 N/A THR 425.A OG1 VAL 294.A O no hydrogen 2.780 N/A LYS 426.A NZ GLU 155.A OE2 no hydrogen 3.193 N/A LYS 426.A NZ ARG 430.A O no hydrogen 2.942 N/A SER 427.A N GLU 432.A O no hydrogen 2.893 N/A SER 427.A OG GLU 432.A O no hydrogen 2.925 N/A GLY 429.A N GLU 155.A OE1 no hydrogen 2.940 N/A ARG 430.A NE GLU 432.A OE1 no hydrogen 3.360 N/A ARG 433.A NH2 ASP 435.A OD2 no hydrogen 3.236 N/A GLU 434.A N THR 425.A O no hydrogen 2.867 N/A ILE 436.A N ILE 423.A O no hydrogen 2.637 N/A THR 437.A N ASP 435.A OD1 no hydrogen 2.869 N/A THR 437.A OG1 ASP 435.A OD1 no hydrogen 2.940 N/A THR 439.A N ILE 436.A O no hydrogen 2.813 N/A THR 439.A OG1 ILE 436.A O no hydrogen 2.999 N/A TYR 440.A N THR 437.A O no hydrogen 2.936 N/A TYR 440.A OH GLU 336.A OE2 no hydrogen 2.490 N/A LYS 441.A N THR 437.A O no hydrogen 3.083 N/A LYS 441.A NZ VAL 394.A O no hydrogen 3.101 N/A LYS 441.A NZ VAL 419.A O no hydrogen 2.907 N/A LYS 441.A NZ GLY 420.A O no hydrogen 3.084 N/A TYR 442.A OH GLU 378.A OE1 no hydrogen 2.639 N/A TYR 442.A OH GLU 378.A OE2 no hydrogen 3.220 N/A GLY 445.A N GLU 449.A OE1 no hydrogen 2.770 N/A SER 446.A N PRO 443.A O no hydrogen 3.344 N/A SER 446.A OG PRO 443.A O no hydrogen 2.948 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.540 N/A GLU 449.A N SER 446.A OG no hydrogen 3.041 N/A GLU 451.A N SER 447.A O no hydrogen 3.342 N/A ALA 452.A N GLU 448.A O no hydrogen 3.177 N/A PHE 453.A N GLU 449.A O no hydrogen 3.082 N/A THR 454.A N ARG 450.A O no hydrogen 3.102 N/A THR 454.A OG1 ARG 450.A O no hydrogen 2.720 N/A ARG 455.A N GLU 451.A O no hydrogen 3.468 N/A ASN 457.A N THR 454.A O no hydrogen 2.732 N/A HIS 458.A N PHE 453.A O no hydrogen 2.710 N/A HIS 458.A ND1 LEU 459.A O no hydrogen 2.725 N/A THR 468.A OG1 SER 571.A OG no hydrogen 3.191 N/A ALA 471.A N THR 493.A O no hydrogen 2.952 N/A ARG 473.A N HIS 491.A O no hydrogen 2.714 N/A ARG 475.A N PHE 489.A O no hydrogen 2.936 N/A GLN 478.A NE2 SER 479.A O no hydrogen 3.123 N/A MET 482.A N GLU 582.A O no hydrogen 2.611 N/A GLY 483.A N TYR 548.A OH no hydrogen 3.088 N/A SER 484.A N ASN 481.A O no hydrogen 2.995 N/A PHE 486.A N ILE 543.A O no hydrogen 3.002 N/A VAL 488.A N LEU 541.A O no hydrogen 3.258 N/A PHE 489.A N ARG 475.A O no hydrogen 2.795 N/A ALA 490.A N VAL 539.A O no hydrogen 2.840 N/A HIS 491.A N ARG 473.A O no hydrogen 2.739 N/A HIS 491.A ND1 SER 538.A OG no hydrogen 2.806 N/A HIS 491.A NE2 GLU 536.A OE1 no hydrogen 3.201 N/A ILE 492.A N LYS 537.A O no hydrogen 2.831 N/A THR 493.A N ALA 471.A O no hydrogen 2.873 N/A ASN 494.A N SER 535.A O no hydrogen 2.855 N/A ASN 494.A ND2 GLU 498.A O no hydrogen 2.950 N/A ASN 494.A ND2 GLU 532.A O no hydrogen 3.384 N/A ASN 495.A N GLY 469.A O no hydrogen 2.972 N/A THR 496.A OG1 ASN 494.A OD1 no hydrogen 3.393 N/A TYR 500.A N LEU 531.A O no hydrogen 3.368 N/A CYS 502.A N LEU 529.A O no hydrogen 2.781 N/A CYS 502.A SG VAL 565.A O no hydrogen 3.272 N/A ARG 503.A N VAL 565.A O no hydrogen 3.163 N/A LEU 504.A N LEU 526.A O no hydrogen 2.750 N/A LEU 505.A N LEU 563.A O no hydrogen 2.864 N/A LEU 506.A N LYS 524.A O no hydrogen 2.874 N/A CYS 507.A N ARG 561.A O no hydrogen 2.783 N/A ALA 508.A N GLY 522.A O no hydrogen 2.834 N/A ARG 509.A N LYS 559.A O no hydrogen 2.855 N/A ARG 509.A NE GLY 518.A O no hydrogen 2.738 N/A ARG 509.A NH2 GLY 518.A O no hydrogen 2.978 N/A VAL 511.A N LEU 557.A O no hydrogen 3.087 N/A SER 512.A N ILE 516.A O no hydrogen 3.191 N/A SER 512.A OG ASN 514.A OD1 no hydrogen 2.885 N/A SER 512.A OG ILE 516.A O no hydrogen 3.338 N/A GLY 515.A N SER 512.A O no hydrogen 2.950 N/A ILE 516.A N SER 512.A OG no hydrogen 3.106 N/A GLY 518.A N THR 510.A O no hydrogen 2.641 N/A CYS 521.A N ALA 508.A O no hydrogen 2.671 N/A CYS 521.A SG ALA 508.A O no hydrogen 3.538 N/A GLY 522.A N GLU 520.A OE2 no hydrogen 3.159 N/A THR 523.A OG1 GLU 520.A OE2 no hydrogen 3.388 N/A LYS 524.A N LEU 506.A O no hydrogen 3.035 N/A LYS 524.A NZ PRO 540.A O no hydrogen 2.758 N/A LEU 526.A N LEU 504.A O no hydrogen 2.877 N/A LEU 529.A N CYS 502.A O no hydrogen 2.847 N/A LEU 531.A N TYR 500.A O no hydrogen 3.096 N/A PHE 534.A N THR 496.A O no hydrogen 2.723 N/A SER 535.A OG PRO 533.A O no hydrogen 2.982 N/A LYS 537.A N ILE 492.A O no hydrogen 2.794 N/A SER 538.A OG HIS 491.A ND1 no hydrogen 2.806 N/A VAL 539.A N ALA 490.A O no hydrogen 2.799 N/A LEU 541.A N VAL 488.A O no hydrogen 3.011 N/A CYS 542.A SG ASP 487.A OD1 no hydrogen 3.717 N/A ILE 543.A N PHE 486.A O no hydrogen 3.009 N/A TYR 545.A N ASP 485.A OD1 no hydrogen 3.042 N/A LYS 547.A N LEU 544.A O no hydrogen 2.629 N/A TYR 548.A N LEU 544.A O no hydrogen 3.165 N/A TYR 548.A N TYR 545.A O no hydrogen 3.214 N/A TYR 548.A OH SER 484.A O no hydrogen 2.655 N/A ARG 549.A N TYR 545.A O no hydrogen 3.005 N/A ARG 549.A NH1 GLU 546.A OE2 no hydrogen 3.318 N/A LEU 552.A N TYR 548.A O no hydrogen 2.863 N/A SER 555.A N THR 553.A OG1 no hydrogen 3.203 N/A ASN 556.A N THR 553.A O no hydrogen 3.066 N/A ASN 556.A ND2 LEU 581.A O no hydrogen 2.821 N/A ASN 556.A ND2 ASN 583.A OD1 no hydrogen 2.766 N/A ILE 558.A N LEU 579.A O no hydrogen 3.234 N/A LYS 559.A N ARG 509.A O no hydrogen 2.760 N/A LYS 559.A NZ ASP 578.A OD1 no hydrogen 3.026 N/A VAL 560.A N ARG 577.A O no hydrogen 2.776 N/A ARG 561.A N CYS 507.A O no hydrogen 2.745 N/A ARG 561.A NE PHE 317.A O no hydrogen 3.531 N/A ALA 562.A N ALA 575.A O no hydrogen 3.081 N/A LEU 563.A N LEU 505.A O no hydrogen 2.973 N/A LEU 564.A N LEU 573.A O no hydrogen 3.016 N/A VAL 565.A N ARG 503.A O no hydrogen 2.728 N/A GLU 566.A N SER 571.A O no hydrogen 2.772 N/A VAL 568.A N GLU 566.A OE1 no hydrogen 3.416 N/A ILE 569.A N GLU 566.A OE2 no hydrogen 2.657 N/A ASN 570.A N PRO 567.A O no hydrogen 3.368 N/A SER 571.A N GLU 566.A O no hydrogen 2.794 N/A SER 571.A OG THR 468.A OG1 no hydrogen 3.191 N/A TYR 572.A OH ASN 570.A OD1 no hydrogen 2.905 N/A LEU 573.A N LEU 564.A O no hydrogen 2.961 N/A LEU 574.A N ILE 413.A O no hydrogen 2.739 N/A ALA 575.A N ALA 562.A O no hydrogen 3.085 N/A GLU 576.A N SER 416.A OG no hydrogen 2.730 N/A ARG 577.A N VAL 560.A O no hydrogen 2.991 N/A ARG 577.A NH1 ILE 474.A O no hydrogen 2.922 N/A LEU 579.A N ILE 558.A O no hydrogen 2.718 N/A LEU 581.A N ASN 556.A O no hydrogen 2.952 N/A GLU 582.A N MET 480.A O no hydrogen 3.068 N/A LYS 587.A NZ GLU 585.A OE1 no hydrogen 2.535 N/A ARG 589.A N GLU 603.A O no hydrogen 2.756 N/A ARG 589.A NH1 GLU 603.A OE2 no hydrogen 3.198 N/A LEU 591.A N VAL 601.A O no hydrogen 2.904 N/A LYS 595.A NZ GLU 593.A OE1 no hydrogen 2.919 N/A GLN 596.A N GLY 682.A O no hydrogen 2.869 N/A GLN 596.A NE2 LEU 654.A O no hydrogen 2.870 N/A ARG 598.A N LYS 595.A O no hydrogen 3.322 N/A LEU 600.A N LEU 651.A O no hydrogen 2.805 N/A VAL 601.A N LEU 591.A O no hydrogen 3.383 N/A ALA 602.A N MET 649.A O no hydrogen 2.792 N/A GLU 603.A N ARG 589.A O no hydrogen 2.926 N/A VAL 604.A N VAL 647.A O no hydrogen 2.891 N/A SER 605.A N LYS 587.A O no hydrogen 2.847 N/A LEU 606.A N VAL 645.A O no hydrogen 3.176 N/A GLN 607.A NE2 GLY 642.A O no hydrogen 3.292 N/A ASN 608.A N GLU 643.A O no hydrogen 3.142 N/A ASN 608.A ND2 VAL 612.A O no hydrogen 3.093 N/A ASN 608.A ND2 VAL 639.A O no hydrogen 3.342 N/A ASN 608.A ND2 GLU 640.A O no hydrogen 3.074 N/A LEU 610.A N ASN 608.A OD1 no hydrogen 2.895 N/A LEU 614.A N VAL 639.A O no hydrogen 2.643 N/A GLU 615.A N ASP 668.A OD1 no hydrogen 2.734 N/A CYS 617.A SG LEU 614.A O no hydrogen 3.644 N/A THR 618.A N GLU 666.A O no hydrogen 2.876 N/A THR 618.A OG1 GLY 616.A O no hydrogen 3.010 N/A PHE 619.A N VAL 633.A O no hydrogen 3.096 N/A THR 620.A N ASN 664.A O no hydrogen 2.645 N/A VAL 621.A N LYS 631.A O no hydrogen 2.902 N/A GLU 622.A N VAL 662.A O no hydrogen 3.083 N/A ALA 624.A N ASN 178.A OD1 no hydrogen 3.093 N/A LEU 626.A N GLY 623.A O no hydrogen 2.832 N/A THR 627.A N GLY 623.A O no hydrogen 3.280 N/A GLN 630.A NE2 GLU 622.A OE1 no hydrogen 3.384 N/A LYS 631.A N VAL 621.A O no hydrogen 2.920 N/A VAL 633.A N PHE 619.A O no hydrogen 3.021 N/A ILE 635.A N CYS 617.A O no hydrogen 2.909 N/A VAL 639.A N LEU 614.A O no hydrogen 2.735 N/A GLU 640.A N GLU 643.A OE2 no hydrogen 3.497 N/A GLU 643.A N GLU 640.A O no hydrogen 3.201 N/A VAL 645.A N LEU 606.A O no hydrogen 2.992 N/A LYS 646.A NZ GLU 603.A OE1 no hydrogen 3.507 N/A VAL 647.A N VAL 604.A O no hydrogen 2.935 N/A MET 649.A N ALA 602.A O no hydrogen 2.783 N/A LEU 651.A N LEU 600.A O no hydrogen 2.690 N/A LEU 654.A N GLY 625.A O no hydrogen 3.185 N/A GLY 657.A N ILE 681.A O no hydrogen 3.018 N/A HIS 659.A N VAL 679.A O no hydrogen 2.869 N/A HIS 659.A NE2 HIS 655.A O no hydrogen 3.226 N/A LYS 660.A NZ ASP 431.A OD1 no hydrogen 2.501 N/A LYS 660.A NZ ASP 431.A OD2 no hydrogen 2.907 N/A LYS 660.A NZ ASN 678.A OD1 no hydrogen 2.984 N/A LEU 661.A N ARG 677.A O no hydrogen 2.776 N/A VAL 662.A N GLU 622.A O no hydrogen 2.837 N/A VAL 663.A N GLY 675.A O no hydrogen 2.813 N/A ASN 664.A N THR 620.A O no hydrogen 2.751 N/A PHE 665.A N VAL 673.A O no hydrogen 2.827 N/A GLU 666.A N THR 618.A O no hydrogen 2.900 N/A SER 667.A OG LEU 670.A O no hydrogen 2.643 N/A ASP 668.A N GLU 615.A O no hydrogen 2.762 N/A LYS 671.A NZ GLU 666.A OE2 no hydrogen 2.838 N/A LYS 671.A NZ SER 667.A O no hydrogen 3.178 N/A VAL 673.A N PHE 665.A O no hydrogen 3.055 N/A LYS 674.A NZ MET 249.A O no hydrogen 2.832 N/A LYS 674.A NZ ALA 672.A O no hydrogen 3.124 N/A GLY 675.A N VAL 663.A O no hydrogen 2.877 N/A ARG 677.A N LEU 661.A O no hydrogen 3.066 N/A ASN 678.A ND2 ASP 431.A OD2 no hydrogen 2.818 N/A VAL 679.A N HIS 659.A O no hydrogen 2.895 N/A ILE 681.A N GLY 657.A O no hydrogen 3.095 N/A GLY 682.A N PRO 594.A O no hydrogen 3.252 N/A