Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pco_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ILE 158.A O no hydrogen 3.047 N/A SER 4.A OG ASP 155.A OD1 no hydrogen 2.944 N/A SER 4.A OG ASP 155.A OD2 no hydrogen 2.815 N/A GLU 5.A N ASN 156.A O no hydrogen 2.989 N/A LEU 6.A N ASP 155.A OD1 no hydrogen 2.923 N/A TRP 7.A N SER 4.A OG no hydrogen 3.165 N/A LEU 8.A N SER 4.A O no hydrogen 2.912 N/A ARG 9.A N GLU 5.A O no hydrogen 2.786 N/A ARG 9.A NE GLU 5.A OE2 no hydrogen 3.132 N/A ARG 9.A NH1 ASN 13.A OD1 no hydrogen 3.050 N/A ARG 9.A NH1 PRO 14.A O no hydrogen 3.076 N/A ARG 9.A NH2 GLU 5.A OE2 no hydrogen 2.631 N/A ARG 9.A NH2 ILE 16.A O no hydrogen 3.198 N/A TRP 11.A N LEU 8.A O no hydrogen 3.141 N/A VAL 12.A N LEU 8.A O no hydrogen 3.086 N/A ILE 16.A N PRO 14.A O no hydrogen 2.649 N/A ALA 20.A N ASP 17.A O no hydrogen 2.746 N/A LEU 21.A N ASP 17.A O no hydrogen 3.168 N/A ASN 23.A N ASP 19.A O no hydrogen 3.371 N/A GLN 24.A N ALA 20.A O no hydrogen 2.828 N/A GLN 24.A NE2 ASN 183.A OD1 no hydrogen 2.311 N/A ILE 25.A N LEU 21.A O no hydrogen 2.922 N/A THR 26.A N ALA 22.A O no hydrogen 3.081 N/A MET 27.A N ASN 23.A O no hydrogen 3.044 N/A ALA 28.A N ILE 25.A O no hydrogen 2.801 N/A GLU 36.A N THR 157.A O no hydrogen 3.250 N/A GLY 40.A N LEU 125.A O no hydrogen 3.391 N/A VAL 46.A N VAL 92.A O no hydrogen 2.649 N/A VAL 47.A N THR 145.A O no hydrogen 3.239 N/A GLY 48.A N VAL 90.A O no hydrogen 3.352 N/A GLU 49.A N ASN 68.A O no hydrogen 2.864 N/A VAL 50.A N LEU 88.A O no hydrogen 2.992 N/A CYS 53.A SG CYS 84.A O no hydrogen 3.883 N/A ALA 59.A N HIS 56.A O no hydrogen 3.058 N/A ARG 63.A NE GLN 55.A OE1 no hydrogen 2.491 N/A ARG 63.A NH1 PRO 82.A O no hydrogen 3.396 N/A THR 65.A N ILE 77.A O no hydrogen 3.128 N/A THR 65.A OG1 GLU 52.A O no hydrogen 2.512 N/A LYS 66.A N GLU 52.A O no hydrogen 3.174 N/A VAL 67.A N LEU 75.A O no hydrogen 2.674 N/A ASN 68.A N GLU 49.A O no hydrogen 2.723 N/A GLY 70.A N ASN 68.A OD1 no hydrogen 2.799 N/A ARG 73.A NH1 GLU 116.A OE1 no hydrogen 2.692 N/A ARG 73.A NH2 GLU 116.A OE1 no hydrogen 2.673 N/A ARG 73.A NH2 GLU 116.A OE2 no hydrogen 3.111 N/A LEU 75.A N VAL 67.A O no hydrogen 2.970 N/A ILE 77.A N THR 65.A O no hydrogen 3.045 N/A CYS 79.A N ARG 63.A O no hydrogen 3.185 N/A CYS 79.A SG LEU 119.A O no hydrogen 3.585 N/A GLY 87.A N VAL 50.A O no hydrogen 3.082 N/A ARG 89.A NH1 GLU 49.A OE2 no hydrogen 3.424 N/A ARG 89.A NH2 ALA 141.A O no hydrogen 2.966 N/A VAL 90.A N GLY 48.A O no hydrogen 2.860 N/A VAL 92.A N VAL 46.A O no hydrogen 2.917 N/A ALA 93.A N MET 118.A O no hydrogen 3.042 N/A THR 94.A OG1 GLY 44.A O no hydrogen 3.271 N/A ALA 97.A N THR 94.A O no hydrogen 3.304 N/A LEU 99.A N PHE 103.A O no hydrogen 2.733 N/A LYS 104.A NZ GLY 96.A O no hydrogen 3.270 N/A ILE 105.A N ALA 97.A O no hydrogen 3.089 N/A ALA 108.A N SER 115.A O no hydrogen 3.340 N/A ARG 111.A NH1 ASN 58.A O no hydrogen 3.022 N/A SER 115.A N ALA 108.A O no hydrogen 3.094 N/A SER 115.A OG ALA 108.A O no hydrogen 2.913 N/A GLU 116.A N ASP 76.A O no hydrogen 2.690 N/A CYS 120.A N ALA 91.A O no hydrogen 2.965 N/A SER 121.A N GLU 124.A OE1 no hydrogen 3.165 N/A SER 121.A OG ASP 130.A OD2 no hydrogen 3.304 N/A SER 123.A N ASP 130.A OD2 no hydrogen 3.232 N/A GLU 124.A N SER 121.A OG no hydrogen 3.294 N/A LEU 125.A N PHE 122.A O no hydrogen 3.055 N/A GLY 126.A N SER 123.A O no hydrogen 2.888 N/A ILE 127.A N PHE 122.A O no hydrogen 3.309 N/A ILE 135.A N CYS 120.A O no hydrogen 2.682 N/A LEU 137.A N ARG 89.A O no hydrogen 2.788 N/A ALA 139.A N LEU 137.A O no hydrogen 2.326 N/A ILE 143.A N ALA 141.A O no hydrogen 3.178 N/A GLY 144.A N VAL 47.A O no hydrogen 3.173 N/A THR 145.A N PRO 142.A O no hydrogen 3.306 N/A THR 145.A OG1 PRO 142.A O no hydrogen 3.474 N/A ILE 147.A N VAL 45.A O no hydrogen 3.249 N/A ARG 148.A N ASP 146.A OD2 no hydrogen 3.118 N/A ARG 148.A NH2 GLY 40.A O no hydrogen 2.720 N/A GLU 149.A N ASP 146.A O no hydrogen 3.386 N/A TYR 150.A N ASP 146.A O no hydrogen 3.419 N/A LEU 151.A N ILE 147.A O no hydrogen 2.845 N/A LYS 152.A N GLU 149.A O no hydrogen 3.134 N/A THR 157.A N GLU 36.A O no hydrogen 2.680 N/A THR 157.A OG1 PHE 3.A O no hydrogen 3.438 N/A THR 157.A OG1 ARG 240.A O no hydrogen 2.684 N/A GLU 159.A N GLY 34.A O no hydrogen 3.404 N/A ILE 160.A N MET 1.A O no hydrogen 3.004 N/A SER 161.A N GLU 31.A O no hydrogen 2.624 N/A SER 161.A OG ASP 33.A OD1 no hydrogen 3.206 N/A SER 161.A OG ASP 33.A OD2 no hydrogen 2.712 N/A ASN 165.A ND2 THR 163.A O no hydrogen 2.978 N/A ASN 165.A ND2 THR 163.A OG1 no hydrogen 2.640 N/A ARG 166.A N THR 163.A O no hydrogen 2.825 N/A ARG 166.A NE ASP 168.A OD1 no hydrogen 2.960 N/A ARG 166.A NH1 ASP 168.A OD2 no hydrogen 3.021 N/A ARG 166.A NH2 ASP 178.A OD1 no hydrogen 3.408 N/A CYS 169.A SG ASP 168.A OD1 no hydrogen 3.884 N/A ILE 172.A N LEU 258.A O no hydrogen 2.767 N/A ILE 173.A N GLU 259.A O no hydrogen 3.270 N/A VAL 175.A N GLY 171.A O no hydrogen 3.204 N/A ALA 176.A N ILE 172.A O no hydrogen 2.694 N/A ARG 177.A N ILE 173.A O no hydrogen 2.823 N/A ASP 178.A N GLY 174.A O no hydrogen 3.251 N/A VAL 179.A N VAL 175.A O no hydrogen 3.228 N/A ALA 180.A N ALA 176.A O no hydrogen 2.924 N/A VAL 181.A N ARG 177.A O no hydrogen 3.086 N/A LEU 182.A N ASP 178.A O no hydrogen 2.949 N/A ASN 183.A N VAL 179.A O no hydrogen 3.097 N/A ASN 183.A N ALA 180.A O no hydrogen 3.176 N/A ASN 183.A ND2 GLN 24.A OE1 no hydrogen 3.084 N/A GLN 184.A N VAL 181.A O no hydrogen 2.843 N/A GLN 184.A NE2 VAL 181.A O no hydrogen 3.557 N/A LEU 185.A N ALA 180.A O no hydrogen 3.202 N/A GLN 189.A NE2 LEU 187.A O no hydrogen 3.224 N/A THR 198.A N ALA 388.A O no hydrogen 3.048 N/A THR 202.A OG1 ASP 201.A OD2 no hydrogen 2.458 N/A ALA 212.A N ALA 209.A O no hydrogen 3.252 N/A CYS 213.A N ALA 209.A O no hydrogen 3.234 N/A CYS 213.A SG ARG 215.A O no hydrogen 2.970 N/A CYS 213.A SG PHE 337.A O no hydrogen 3.117 N/A ARG 215.A NH1 GLN 369.A OE1 no hydrogen 3.249 N/A TYR 216.A N ILE 394.A O no hydrogen 3.110 N/A LEU 217.A N CYS 335.A O no hydrogen 2.767 N/A GLY 218.A N ILE 392.A O no hydrogen 3.306 N/A VAL 221.A N VAL 331.A O no hydrogen 2.863 N/A LYS 222.A N GLU 387.A O no hydrogen 2.951 N/A GLY 223.A N ASN 330.A OD1 no hydrogen 2.530 N/A ILE 224.A N GLN 329.A O no hydrogen 2.453 N/A ALA 228.A N ASN 225.A O no hydrogen 3.023 N/A THR 230.A OG1 ASP 247.A O no hydrogen 2.877 N/A MET 234.A N PRO 231.A O no hydrogen 2.705 N/A GLU 236.A N LEU 232.A O no hydrogen 2.717 N/A LYS 237.A N TRP 233.A O no hydrogen 3.035 N/A LYS 237.A NZ GLU 10.A OE2 no hydrogen 3.459 N/A ARG 239.A N LYS 235.A O no hydrogen 2.734 N/A ARG 239.A NE GLU 236.A OE2 no hydrogen 2.855 N/A ARG 239.A NH1 VAL 38.A O no hydrogen 3.019 N/A ARG 239.A NH2 VAL 38.A O no hydrogen 2.958 N/A ARG 239.A NH2 GLU 236.A OE1 no hydrogen 2.488 N/A ARG 240.A N GLU 236.A O no hydrogen 2.853 N/A ARG 240.A NE GLU 236.A OE1 no hydrogen 3.236 N/A ARG 240.A NH1 ASP 155.A OD2 no hydrogen 2.533 N/A ARG 240.A NH2 LEU 151.A O no hydrogen 2.978 N/A ARG 240.A NH2 GLU 236.A OE1 no hydrogen 2.971 N/A CYS 241.A N LEU 238.A O no hydrogen 2.644 N/A CYS 241.A SG LYS 237.A O no hydrogen 3.339 N/A GLY 242.A N ARG 239.A O no hydrogen 3.019 N/A ILE 243.A N LEU 238.A O no hydrogen 3.307 N/A ILE 246.A N ASP 251.A OD1 no hydrogen 3.096 N/A ILE 246.A N ASP 251.A OD2 no hydrogen 3.125 N/A ASP 247.A N ASP 251.A OD1 no hydrogen 2.747 N/A VAL 252.A N ALA 248.A O no hydrogen 3.150 N/A THR 253.A N VAL 249.A O no hydrogen 3.263 N/A THR 253.A OG1 VAL 249.A O no hydrogen 2.598 N/A THR 253.A OG1 VAL 250.A O no hydrogen 2.796 N/A ASN 254.A N VAL 250.A O no hydrogen 2.769 N/A TYR 255.A N ASP 251.A O no hydrogen 2.785 N/A TYR 255.A OH GLU 259.A OE2 no hydrogen 2.578 N/A VAL 256.A N VAL 252.A O no hydrogen 2.775 N/A LEU 257.A N THR 253.A O no hydrogen 2.841 N/A LEU 258.A N ASN 254.A O no hydrogen 3.067 N/A GLU 259.A N TYR 255.A O no hydrogen 2.821 N/A LEU 260.A N VAL 256.A O no hydrogen 2.899 N/A GLN 262.A NE2 PRO 263.A O no hydrogen 2.942 N/A GLN 262.A NE2 ALA 336.A O no hydrogen 2.964 N/A HIS 265.A N GLU 334.A O no hydrogen 3.031 N/A PHE 267.A N LEU 332.A O no hydrogen 2.858 N/A ASP 268.A N SER 322.A O no hydrogen 3.370 N/A LYS 269.A N ASN 330.A O no hydrogen 2.986 N/A ARG 271.A N ASP 268.A O no hydrogen 2.665 N/A ILE 272.A N LYS 269.A O no hydrogen 2.976 N/A ILE 276.A N PRO 204.A O no hydrogen 3.173 N/A ARG 279.A NH1 GLU 285.A OE2 no hydrogen 3.091 N/A GLU 285.A N LEU 297.A O no hydrogen 3.163 N/A THR 286.A N GLU 285.A OE1 no hydrogen 2.925 N/A THR 286.A OG1 GLU 285.A O no hydrogen 2.870 N/A LEU 287.A N ALA 295.A O no hydrogen 3.277 N/A LEU 289.A N THR 293.A O no hydrogen 2.344 N/A LEU 290.A N GLY 318.A O no hydrogen 2.852 N/A GLY 292.A N LEU 289.A O no hydrogen 2.838 N/A THR 293.A N LEU 289.A O no hydrogen 3.431 N/A THR 293.A OG1 GLU 294.A OE1 no hydrogen 3.419 N/A ALA 295.A N LEU 287.A O no hydrogen 2.734 N/A ASN 298.A ND2 GLU 283.A OE1 no hydrogen 3.113 N/A ASN 298.A ND2 GLU 283.A OE2 no hydrogen 3.370 N/A THR 301.A N ASN 298.A O no hydrogen 3.157 N/A VAL 303.A N ARG 279.A O no hydrogen 3.271 N/A ILE 304.A N ALA 312.A O no hydrogen 2.731 N/A ALA 305.A N VAL 277.A O no hydrogen 2.992 N/A LEU 311.A N ILE 304.A O no hydrogen 3.261 N/A ALA 312.A N ILE 304.A O no hydrogen 3.159 N/A GLY 314.A N LEU 302.A O no hydrogen 2.868 N/A ILE 316.A N MET 313.A O no hydrogen 3.104 N/A PHE 317.A N MET 313.A O no hydrogen 3.365 N/A SER 322.A OG LEU 311.A O no hydrogen 3.217 N/A ASN 325.A N THR 328.A OG1 no hydrogen 2.780 N/A GLU 327.A N ASN 325.A OD1 no hydrogen 2.912 N/A THR 328.A N ASN 325.A O no hydrogen 3.204 N/A THR 328.A OG1 ASP 268.A OD1 no hydrogen 3.263 N/A THR 328.A OG1 ASN 325.A O no hydrogen 3.108 N/A GLN 329.A NE2 ASN 330.A OD1 no hydrogen 3.107 N/A VAL 331.A N VAL 221.A O no hydrogen 3.518 N/A LEU 332.A N PHE 267.A O no hydrogen 2.955 N/A LEU 333.A N ARG 219.A O no hydrogen 3.233 N/A GLU 334.A N HIS 265.A O no hydrogen 2.630 N/A CYS 335.A N LEU 217.A O no hydrogen 2.887 N/A CYS 335.A SG GLN 369.A O no hydrogen 3.453 N/A PHE 337.A N ARG 215.A O no hydrogen 3.135 N/A SER 339.A N ALA 212.A O no hydrogen 2.953 N/A SER 339.A OG GLU 211.A O no hydrogen 2.828 N/A SER 342.A N SER 339.A O no hydrogen 2.793 N/A ILE 343.A N PRO 340.A O no hydrogen 2.663 N/A THR 344.A OG1 PRO 340.A O no hydrogen 3.035 N/A ARG 346.A NE ASP 300.A O no hydrogen 3.465 N/A ARG 349.A N GLY 345.A O no hydrogen 3.399 N/A ARG 349.A NH1 ASP 300.A OD1 no hydrogen 3.211 N/A ARG 349.A NH1 ASP 300.A OD2 no hydrogen 3.007 N/A HIS 350.A N ALA 347.A O no hydrogen 3.169 N/A GLY 351.A N ARG 348.A O no hydrogen 2.902 N/A LEU 352.A N ALA 347.A O no hydrogen 2.802 N/A HIS 353.A NE2 HIS 358.A ND1 no hydrogen 3.160 N/A THR 354.A N SER 357.A OG no hydrogen 3.037 N/A THR 354.A OG1 ILE 316.A O no hydrogen 2.752 N/A THR 354.A OG1 SER 357.A OG no hydrogen 3.223 N/A SER 357.A N THR 354.A OG1 no hydrogen 3.219 N/A SER 357.A OG THR 354.A OG1 no hydrogen 3.223 N/A HIS 358.A N THR 354.A O no hydrogen 3.077 N/A ARG 359.A N ASP 355.A O no hydrogen 2.830 N/A ARG 359.A NE LEU 170.A O no hydrogen 2.833 N/A ARG 359.A NH1 ASP 355.A O no hydrogen 3.111 N/A TYR 360.A N ALA 356.A O no hydrogen 2.769 N/A TYR 360.A OH ALA 336.A O no hydrogen 2.684 N/A GLU 361.A N SER 357.A O no hydrogen 2.847 N/A ARG 362.A NE HIS 358.A O no hydrogen 3.378 N/A GLY 363.A N ARG 359.A O no hydrogen 2.907 N/A ALA 367.A N ASP 365.A OD1 no hydrogen 2.623 N/A LEU 368.A N ASP 365.A O no hydrogen 3.304 N/A GLN 369.A NE2 GLN 262.A OE1 no hydrogen 2.499 N/A GLN 369.A NE2 ASP 365.A O no hydrogen 3.334 N/A ALA 372.A N LEU 368.A O no hydrogen 3.278 N/A ALA 372.A N GLN 369.A O no hydrogen 3.015 N/A MET 373.A N GLN 369.A O no hydrogen 2.935 N/A GLU 374.A N HIS 370.A O no hydrogen 3.182 N/A ARG 375.A N LYS 371.A O no hydrogen 2.882 N/A ARG 375.A N ALA 372.A O no hydrogen 2.793 N/A ARG 375.A NH1 GLU 259.A OE1 no hydrogen 2.513 N/A ALA 376.A N ALA 372.A O no hydrogen 3.069 N/A THR 377.A N MET 373.A O no hydrogen 3.042 N/A THR 377.A OG1 MET 373.A O no hydrogen 2.827 N/A ARG 378.A N GLU 374.A O no hydrogen 3.211 N/A ARG 378.A NH1 PRO 194.A O no hydrogen 3.249 N/A LEU 379.A N ARG 375.A O no hydrogen 3.382 N/A LEU 380.A N THR 377.A O no hydrogen 3.327 N/A ILE 381.A N THR 377.A O no hydrogen 3.442 N/A ASP 382.A N ARG 378.A O no hydrogen 3.052 N/A ILE 383.A N LEU 380.A O no hydrogen 3.031 N/A CYS 384.A N LEU 380.A O no hydrogen 2.668 N/A CYS 384.A SG ASN 225.A O no hydrogen 3.418 N/A GLY 389.A N VAL 220.A O no hydrogen 3.224 N/A ILE 392.A N GLY 218.A O no hydrogen 2.797 N/A ILE 394.A N TYR 216.A O no hydrogen 3.285 N/A THR 395.A OG1 GLU 397.A OE1 no hydrogen 3.275 N/A ASN 396.A ND2 THR 395.A O no hydrogen 3.232 N/A THR 399.A N ASN 396.A O no hydrogen 2.959 N/A THR 399.A OG1 PRO 210.A O no hydrogen 2.961 N/A THR 399.A OG1 ASN 396.A O no hydrogen 3.246 N/A THR 399.A OG1 ASN 396.A OD1 no hydrogen 3.351 N/A LEU 400.A N ASN 396.A O no hydrogen 3.030 N/A LYS 402.A NZ LYS 402.A O no hydrogen 2.887 N/A LYS 402.A NZ GLU 456.A OE2 no hydrogen 3.265 N/A ILE 406.A N ALA 446.A O no hydrogen 2.986 N/A LEU 408.A N TRP 444.A O no hydrogen 2.665 N/A ARG 409.A NE GLU 458.A OE2 no hydrogen 2.988 N/A ARG 409.A NH2 GLU 458.A OE1 no hydrogen 2.821 N/A ARG 410.A N ASP 442.A O no hydrogen 2.873 N/A ARG 410.A NE ASP 414.A OD1 no hydrogen 3.201 N/A ARG 410.A NH1 ILE 421.A O no hydrogen 3.037 N/A ARG 410.A NH2 ASP 414.A OD1 no hydrogen 3.362 N/A ARG 410.A NH2 ILE 421.A O no hydrogen 2.578 N/A LEU 413.A N ARG 409.A O no hydrogen 3.010 N/A ASP 414.A N ARG 410.A O no hydrogen 3.035 N/A ARG 415.A N SER 411.A O no hydrogen 2.722 N/A LEU 416.A N LYS 412.A O no hydrogen 3.122 N/A ILE 417.A N LEU 413.A O no hydrogen 2.994 N/A GLY 418.A N ASP 414.A O no hydrogen 2.766 N/A HIS 419.A NE2 TYR 469.A OH no hydrogen 3.140 N/A GLN 425.A N ALA 422.A O no hydrogen 2.990 N/A VAL 426.A N ALA 422.A O no hydrogen 3.241 N/A THR 427.A N ASP 423.A O no hydrogen 3.016 N/A THR 427.A OG1 ASP 423.A O no hydrogen 3.305 N/A THR 427.A OG1 GLU 424.A O no hydrogen 3.420 N/A THR 427.A OG1 GLU 439.A OE2 no hydrogen 3.532 N/A ASP 428.A N GLU 424.A O no hydrogen 3.307 N/A ILE 429.A N GLN 425.A O no hydrogen 3.329 N/A LEU 430.A N VAL 426.A O no hydrogen 3.223 N/A ARG 431.A N THR 427.A O no hydrogen 3.007 N/A ARG 431.A NH2 VAL 437.A O no hydrogen 2.700 N/A ARG 432.A N ASP 428.A O no hydrogen 2.933 N/A LEU 433.A N ILE 429.A O no hydrogen 2.719 N/A GLY 434.A N LEU 430.A O no hydrogen 2.777 N/A GLY 434.A N ARG 431.A O no hydrogen 2.959 N/A CYS 435.A N LEU 430.A O no hydrogen 3.156 N/A CYS 435.A SG LEU 430.A O no hydrogen 3.799 N/A GLU 436.A N VAL 447.A O no hydrogen 3.178 N/A THR 438.A N GLN 445.A O no hydrogen 3.147 N/A GLY 440.A N GLU 443.A O no hydrogen 3.335 N/A GLU 443.A N GLY 440.A O no hydrogen 3.320 N/A TRP 444.A N LEU 408.A O no hydrogen 2.598 N/A GLN 445.A N THR 438.A O no hydrogen 3.433 N/A ALA 446.A N ILE 406.A O no hydrogen 2.692 N/A VAL 447.A N GLU 436.A O no hydrogen 2.895 N/A SER 450.A OG ASP 365.A OD1 no hydrogen 2.772 N/A SER 450.A OG ASP 365.A OD2 no hydrogen 3.370 N/A ARG 452.A NH2 GLU 464.A OE1 no hydrogen 2.602 N/A ASP 454.A N ASP 454.A OD1 no hydrogen 2.608 N/A GLU 456.A N ASP 460.A OD2 no hydrogen 2.742 N/A ILE 457.A N ASP 460.A OD2 no hydrogen 2.916 N/A GLU 459.A N GLU 459.A OE1 no hydrogen 2.595 N/A ASP 460.A N ILE 457.A O no hydrogen 3.152 N/A VAL 462.A N GLU 458.A O no hydrogen 3.208 N/A GLU 463.A N GLU 459.A O no hydrogen 3.079 N/A GLU 464.A N ASP 460.A O no hydrogen 3.154 N/A VAL 465.A N LEU 461.A O no hydrogen 2.858 N/A ALA 466.A N VAL 462.A O no hydrogen 2.823 N/A ARG 467.A N GLU 463.A O no hydrogen 2.639 N/A ARG 467.A NE GLU 464.A OE1 no hydrogen 2.985 N/A ARG 467.A NE GLU 464.A OE2 no hydrogen 2.995 N/A ARG 467.A NH1 ALA 28.A O no hydrogen 3.203 N/A ARG 467.A NH1 ASP 178.A OD1 no hydrogen 2.452 N/A ARG 467.A NH2 ASP 178.A OD2 no hydrogen 3.052 N/A ARG 467.A NH2 GLU 464.A OE1 no hydrogen 2.641 N/A VAL 468.A N GLU 464.A O no hydrogen 3.092 N/A TYR 469.A N VAL 465.A O no hydrogen 3.263 N/A TYR 469.A OH HIS 419.A NE2 no hydrogen 3.140 N/A GLY 470.A N ARG 467.A O no hydrogen 3.307 N/A ASN 473.A N GLY 470.A O no hydrogen 3.349 N/A ASN 473.A ND2 TYR 469.A O no hydrogen 2.672 N/A ILE 474.A N TYR 471.A O no hydrogen 2.858 N/A ASP 492.A N ARG 489.A O no hydrogen 3.343 N/A LEU 493.A N ALA 690.A O no hydrogen 2.892 N/A LYS 496.A N SER 494.A OG no hydrogen 3.142 N/A ARG 497.A N SER 494.A OG no hydrogen 3.165 N/A ARG 497.A NH1 ARG 497.A O no hydrogen 2.798 N/A VAL 498.A N SER 494.A O no hydrogen 3.032 N/A LYS 499.A N LEU 495.A O no hydrogen 2.796 N/A LYS 499.A NZ GLU 509.A OE1 no hydrogen 2.757 N/A THR 500.A N LYS 496.A O no hydrogen 3.179 N/A THR 500.A OG1 LYS 496.A O no hydrogen 3.138 N/A LEU 501.A N ARG 497.A O no hydrogen 3.076 N/A LEU 502.A N VAL 498.A O no hydrogen 2.763 N/A ASN 503.A N LYS 499.A O no hydrogen 2.736 N/A ASN 503.A ND2 TYR 507.A O no hydrogen 2.845 N/A ASP 504.A N THR 500.A O no hydrogen 2.722 N/A LYS 505.A N LEU 501.A O no hydrogen 3.109 N/A LYS 505.A N LEU 502.A O no hydrogen 3.204 N/A GLY 506.A N ASN 503.A O no hydrogen 2.929 N/A TYR 507.A N LEU 502.A O no hydrogen 3.073 N/A TYR 507.A OH ASP 620.A OD2 no hydrogen 2.710 N/A GLN 508.A N ARG 568.A O no hydrogen 2.949 N/A GLN 508.A NE2 GLU 509.A O no hydrogen 2.919 N/A VAL 510.A N PHE 570.A O no hydrogen 3.095 N/A THR 512.A N GLU 571.A OE2 no hydrogen 2.894 N/A THR 512.A OG1 GLU 571.A OE1 no hydrogen 2.462 N/A THR 512.A OG1 GLU 571.A OE2 no hydrogen 3.374 N/A VAL 516.A N ALA 543.A O no hydrogen 2.669 N/A LYS 519.A N ASP 517.A OD1 no hydrogen 2.453 N/A VAL 520.A N ASP 517.A OD1 no hydrogen 3.269 N/A GLN 521.A N ASP 517.A O no hydrogen 2.869 N/A GLN 521.A NE2 THR 550.A OG1 no hydrogen 3.376 N/A GLN 522.A N PRO 518.A O no hydrogen 2.798 N/A MET 523.A N VAL 520.A O no hydrogen 2.642 N/A ILE 524.A N VAL 520.A O no hydrogen 3.185 N/A HIS 525.A N GLN 521.A O no hydrogen 2.679 N/A GLY 527.A N GLN 522.A OE1 no hydrogen 2.486 N/A MET 541.A N SER 538.A OG no hydrogen 3.172 N/A SER 542.A N VAL 516.A O no hydrogen 3.164 N/A SER 542.A OG VAL 539.A O no hydrogen 2.940 N/A ALA 543.A N VAL 516.A O no hydrogen 2.986 N/A MET 544.A N LEU 531.A O no hydrogen 3.475 N/A ARG 545.A N SER 514.A O no hydrogen 2.894 N/A ARG 545.A NH1 GLU 571.A OE2 no hydrogen 3.158 N/A ARG 545.A NH2 LEU 574.A O no hydrogen 2.637 N/A LEU 548.A N GLU 683.A OE2 no hydrogen 2.485 N/A TRP 549.A N SER 547.A OG no hydrogen 3.078 N/A TRP 549.A NE1 PHE 682.A O no hydrogen 2.994 N/A LEU 552.A N LEU 548.A O no hydrogen 2.913 N/A LEU 553.A N TRP 549.A O no hydrogen 2.769 N/A ALA 554.A N THR 550.A O no hydrogen 3.167 N/A THR 555.A N GLY 551.A O no hydrogen 3.122 N/A THR 555.A N LEU 552.A O no hydrogen 2.982 N/A THR 555.A OG1 GLY 551.A O no hydrogen 2.982 N/A VAL 556.A N LEU 552.A O no hydrogen 3.243 N/A VAL 557.A N LEU 553.A O no hydrogen 3.008 N/A TYR 558.A N ALA 554.A O no hydrogen 2.879 N/A ASN 559.A N THR 555.A O no hydrogen 3.053 N/A ASN 559.A ND2 THR 555.A O no hydrogen 2.865 N/A GLN 560.A N VAL 556.A O no hydrogen 3.015 N/A ASN 561.A N VAL 557.A O no hydrogen 2.913 N/A ARG 562.A NH1 TYR 558.A O no hydrogen 2.862 N/A GLN 563.A N GLN 563.A OE1 no hydrogen 2.545 N/A GLN 564.A NE2 ARG 566.A O no hydrogen 3.435 N/A ARG 566.A N ASN 565.A OD1 no hydrogen 2.340 N/A ARG 566.A NE ASN 599.A O no hydrogen 2.869 N/A ARG 566.A NH2 ASN 599.A O no hydrogen 3.549 N/A ARG 566.A NH2 ARG 600.A O no hydrogen 2.732 N/A ARG 568.A NH1 LYS 505.A O no hydrogen 3.206 N/A ARG 568.A NH1 GLY 506.A O no hydrogen 3.167 N/A ILE 569.A N VAL 595.A O no hydrogen 2.798 N/A PHE 570.A N GLN 508.A O no hydrogen 3.203 N/A GLU 571.A N ALA 593.A O no hydrogen 2.635 N/A GLY 573.A N MET 591.A O no hydrogen 3.172 N/A ARG 575.A N ASP 589.A O no hydrogen 2.967 N/A ARG 575.A NE ASP 589.A OD2 no hydrogen 3.019 N/A ARG 575.A NH2 ASP 589.A OD2 no hydrogen 3.186 N/A PHE 576.A N ARG 545.A O no hydrogen 2.880 N/A VAL 577.A N ARG 587.A O no hydrogen 3.204 N/A GLN 581.A N ASP 579.A OD1 no hydrogen 2.902 N/A ALA 582.A N ASP 579.A O no hydrogen 3.189 N/A ARG 587.A N VAL 577.A O no hydrogen 2.727 N/A ARG 587.A NH1 GLU 685.A OE1 no hydrogen 3.160 N/A ASP 589.A N ARG 575.A O no hydrogen 3.298 N/A MET 591.A N GLY 573.A O no hydrogen 2.750 N/A LEU 592.A N LEU 684.A O no hydrogen 2.825 N/A ALA 593.A N GLU 571.A O no hydrogen 2.770 N/A GLY 594.A N PHE 682.A O no hydrogen 3.174 N/A VAL 595.A N ILE 569.A O no hydrogen 2.954 N/A ILE 596.A N LEU 680.A O no hydrogen 3.224 N/A CYS 597.A N VAL 567.A O no hydrogen 2.944 N/A CYS 597.A SG VAL 567.A O no hydrogen 3.552 N/A ARG 600.A N GLU 610.A O no hydrogen 2.831 N/A ASN 606.A N HIS 604.A ND1 no hydrogen 2.862 N/A LEU 607.A N HIS 604.A ND1 no hydrogen 3.344 N/A LYS 609.A NZ GLU 603.A OE1 no hydrogen 3.377 N/A GLU 610.A N ALA 608.A O no hydrogen 2.708 N/A THR 611.A OG1 VAL 612.A O no hydrogen 3.318 N/A VAL 612.A N GLY 598.A O no hydrogen 2.911 N/A ASP 613.A N ASP 616.A OD2 no hydrogen 2.896 N/A TYR 615.A N ASP 613.A OD2 no hydrogen 2.674 N/A ASP 616.A N ASP 613.A O no hydrogen 2.484 N/A LYS 618.A N PHE 614.A O no hydrogen 2.591 N/A GLY 619.A N TYR 615.A O no hydrogen 2.996 N/A ASP 620.A N ASP 616.A O no hydrogen 2.803 N/A LEU 621.A N LEU 617.A O no hydrogen 2.796 N/A GLU 622.A N LYS 618.A O no hydrogen 2.849 N/A SER 623.A N GLY 619.A O no hydrogen 3.060 N/A SER 623.A N ASP 620.A O no hydrogen 2.976 N/A SER 623.A OG GLY 619.A O no hydrogen 2.955 N/A VAL 624.A N ASP 620.A O no hydrogen 3.027 N/A LEU 625.A N LEU 621.A O no hydrogen 2.313 N/A LEU 627.A N LEU 625.A O no hydrogen 2.077 N/A THR 628.A N LEU 625.A O no hydrogen 3.088 N/A THR 628.A OG1 SER 623.A O no hydrogen 3.141 N/A THR 628.A OG1 LEU 625.A O no hydrogen 3.523 N/A GLU 633.A N LEU 631.A O no hydrogen 2.671 N/A ARG 637.A NH2 GLU 635.A OE2 no hydrogen 3.017 N/A LEU 644.A N ASN 641.A O no hydrogen 2.759 N/A GLY 647.A N HIS 645.A ND1 no hydrogen 2.945 N/A GLN 648.A N HIS 645.A O no hydrogen 3.205 N/A SER 649.A OG GLU 639.A O no hydrogen 3.169 N/A SER 649.A OG PRO 646.A O no hydrogen 3.561 N/A ALA 650.A N VAL 662.A O no hydrogen 2.717 N/A ALA 651.A N ARG 637.A O no hydrogen 2.861 N/A ILE 652.A N GLY 660.A O no hydrogen 2.481 N/A TYR 653.A OH GLU 639.A OE1 no hydrogen 2.411 N/A LYS 655.A N GLU 633.A O no hydrogen 3.139 N/A GLU 657.A N TYR 653.A O no hydrogen 3.188 N/A ARG 658.A NE GLU 639.A OE1 no hydrogen 3.057 N/A ILE 659.A N ILE 652.A O no hydrogen 2.807 N/A PHE 661.A N GLU 683.A O no hydrogen 2.866 N/A VAL 662.A N ALA 650.A O no hydrogen 3.006 N/A GLY 663.A N VAL 681.A O no hydrogen 3.157 N/A VAL 664.A N GLN 648.A O no hydrogen 3.258 N/A VAL 665.A N THR 679.A O no hydrogen 2.890 N/A HIS 666.A N ALA 643.A O no hydrogen 3.347 N/A GLU 668.A N GLU 668.A OE1 no hydrogen 2.059 N/A LEU 669.A N GLU 668.A OE1 no hydrogen 3.131 N/A GLU 670.A N HIS 666.A O no hydrogen 2.727 N/A ARG 671.A NH2 GLU 670.A OE2 no hydrogen 2.509 N/A LYS 672.A N GLU 668.A O no hydrogen 3.110 N/A ARG 678.A NE VAL 612.A O no hydrogen 2.945 N/A ARG 678.A NH1 VAL 612.A O no hydrogen 3.527 N/A LEU 680.A N ILE 596.A O no hydrogen 3.169 N/A VAL 681.A N GLY 663.A O no hydrogen 2.905 N/A PHE 682.A N GLY 594.A O no hydrogen 3.031 N/A GLU 683.A N PHE 661.A O no hydrogen 2.959 N/A LEU 684.A N LEU 592.A O no hydrogen 2.676 N/A GLU 685.A N ILE 659.A O no hydrogen 2.968 N/A TRP 686.A N LEU 590.A O no hydrogen 3.041 N/A LYS 688.A N GLU 685.A O no hydrogen 3.041 N/A LYS 688.A NZ GLU 657.A OE1 no hydrogen 2.686 N/A LEU 689.A N TRP 686.A O no hydrogen 2.830 N/A ARG 692.A N ALA 491.A O no hydrogen 2.817 N/A ARG 692.A NE GLU 490.A O no hydrogen 3.255 N/A ARG 692.A NH2 GLU 490.A O no hydrogen 2.920 N/A SER 701.A OG PHE 703.A O no hydrogen 3.049 N/A ASN 706.A N LEU 762.A O no hydrogen 2.756 N/A ARG 708.A N LEU 760.A O no hydrogen 2.903 N/A ARG 708.A NH1 ASN 706.A OD1 no hydrogen 3.398 N/A ARG 708.A NH2 ASN 706.A OD1 no hydrogen 3.101 N/A ILE 710.A N ILE 758.A O no hydrogen 2.935 N/A VAL 713.A N ALA 791.A O no hydrogen 3.091 N/A VAL 714.A N LYS 754.A O no hydrogen 2.920 N/A GLU 716.A N GLY 752.A O no hydrogen 3.258 N/A ASN 717.A N ALA 715.A O no hydrogen 2.488 N/A VAL 718.A N ALA 715.A O no hydrogen 2.853 N/A ASP 722.A N PRO 719.A O no hydrogen 2.998 N/A LEU 724.A N ALA 720.A O no hydrogen 2.973 N/A SER 725.A N ALA 721.A O no hydrogen 2.733 N/A SER 725.A OG ALA 721.A O no hydrogen 3.120 N/A CYS 727.A N LEU 724.A O no hydrogen 3.353 N/A CYS 727.A SG ILE 723.A O no hydrogen 3.739 N/A GLN 734.A N GLY 731.A O no hydrogen 2.815 N/A VAL 735.A N GLY 731.A O no hydrogen 3.228 N/A VAL 736.A N ILE 761.A O no hydrogen 3.316 N/A ASN 739.A N SER 759.A O no hydrogen 3.095 N/A PHE 741.A N ALA 757.A O no hydrogen 3.127 N/A TYR 744.A N SER 755.A O no hydrogen 2.695 N/A LYS 747.A N TYR 744.A OH no hydrogen 2.445 N/A VAL 749.A N GLY 746.A O no hydrogen 3.361 N/A LYS 754.A N VAL 714.A O no hydrogen 3.000 N/A LYS 754.A NZ VAL 718.A O no hydrogen 3.080 N/A SER 755.A N TYR 744.A O no hydrogen 2.996 N/A SER 755.A OG VAL 712.A O no hydrogen 3.212 N/A ILE 758.A N ILE 710.A O no hydrogen 3.066 N/A SER 759.A N ASN 739.A O no hydrogen 2.630 N/A LEU 760.A N ARG 708.A O no hydrogen 3.121 N/A ILE 761.A N GLY 737.A O no hydrogen 3.117 N/A LEU 762.A N ASN 706.A O no hydrogen 2.498 N/A THR 765.A N ASP 764.A OD2 no hydrogen 2.827 N/A SER 766.A OG ASP 764.A OD1 no hydrogen 2.907 N/A ARG 767.A NE GLU 773.A OE1 no hydrogen 3.153 N/A ARG 767.A NH2 GLU 773.A OE1 no hydrogen 2.934 N/A GLU 772.A N GLU 772.A OE1 no hydrogen 2.928 N/A GLU 773.A N GLU 770.A O no hydrogen 2.900 N/A ILE 774.A N GLU 771.A O no hydrogen 3.240 N/A ALA 775.A N GLU 771.A O no hydrogen 2.843 N/A VAL 778.A N ILE 774.A O no hydrogen 3.499 N/A LYS 780.A N THR 777.A O no hydrogen 3.212 N/A CYS 781.A N VAL 778.A O no hydrogen 3.049 N/A CYS 781.A SG GLU 726.A O no hydrogen 3.958 N/A CYS 781.A SG VAL 730.A O no hydrogen 3.151 N/A VAL 782.A N VAL 778.A O no hydrogen 3.297 N/A ALA 784.A N LYS 780.A O no hydrogen 3.429 N/A LEU 785.A N CYS 781.A O no hydrogen 2.724 N/A GLU 787.A N GLU 783.A O no hydrogen 2.743 N/A ARG 788.A NH1 GLU 787.A O no hydrogen 3.231 N/A