Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k5n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 128.A O no hydrogen 3.421 N/A GLN 3.A N VAL 126.A O no hydrogen 3.000 N/A GLY 5.A N VAL 124.A O no hydrogen 3.025 N/A PHE 6.A N ALA 26.A O no hydrogen 3.000 N/A ILE 7.A N SER 122.A O no hydrogen 2.621 N/A LEU 8.A N TRP 24.A O no hydrogen 2.718 N/A THR 9.A N TRP 24.A O no hydrogen 3.358 N/A ARG 10.A NH1 GLY 345.A O no hydrogen 3.493 N/A ARG 10.A NH2 GLY 345.A O no hydrogen 3.015 N/A HIS 11.A N SER 22.A O no hydrogen 3.003 N/A ARG 13.A N GLU 20.A O no hydrogen 3.074 N/A ARG 13.A NH2 GLU 20.A OE2 no hydrogen 3.338 N/A THR 15.A N GLY 18.A O no hydrogen 3.028 N/A THR 15.A OG1 GLY 18.A O no hydrogen 2.681 N/A GLY 18.A N THR 15.A O no hydrogen 3.004 N/A THR 19.A OG1 ARG 84.A O no hydrogen 2.235 N/A GLU 20.A N ARG 13.A O no hydrogen 2.987 N/A SER 22.A N HIS 11.A O no hydrogen 3.158 N/A PHE 23.A N VAL 34.A O no hydrogen 3.278 N/A TRP 24.A N THR 9.A O no hydrogen 2.974 N/A LEU 25.A N LEU 32.A O no hydrogen 2.842 N/A ALA 26.A N PHE 6.A O no hydrogen 2.846 N/A THR 27.A N GLY 30.A O no hydrogen 2.633 N/A THR 27.A OG1 GLY 30.A O no hydrogen 2.285 N/A GLY 30.A N THR 27.A OG1 no hydrogen 2.817 N/A LEU 32.A N LEU 25.A O no hydrogen 3.032 N/A VAL 34.A N PHE 23.A O no hydrogen 3.007 N/A THR 35.A N ILE 135.A O no hydrogen 2.758 N/A LEU 36.A N VAL 21.A O no hydrogen 3.231 N/A GLN 39.A NE2 ALA 37.A O no hydrogen 2.232 N/A SER 41.A N CYS 83.A O no hydrogen 2.882 N/A ALA 43.A N LEU 81.A O no hydrogen 3.258 N/A PHE 44.A N TYR 104.A O no hydrogen 3.179 N/A ILE 45.A N TYR 79.A O no hydrogen 2.707 N/A ALA 47.A N PRO 77.A O no hydrogen 2.746 N/A VAL 50.A N ALA 47.A O no hydrogen 3.104 N/A ARG 52.A NH2 GLY 99.A O no hydrogen 3.093 N/A ALA 53.A N GLN 49.A O no hydrogen 2.636 N/A GLN 54.A N VAL 50.A O no hydrogen 2.687 N/A HIS 55.A N PRO 51.A O no hydrogen 3.342 N/A HIS 55.A N ARG 52.A O no hydrogen 3.149 N/A ILE 56.A N ARG 52.A O no hydrogen 3.143 N/A LEU 57.A N ALA 53.A O no hydrogen 3.265 N/A ARG 64.A N TYR 82.A O no hydrogen 2.765 N/A ARG 64.A NH2 GLU 40.A OE2 no hydrogen 2.654 N/A THR 66.A N GLY 80.A O no hydrogen 3.147 N/A THR 66.A OG1 PRO 67.A O no hydrogen 2.733 N/A ASP 72.A N GLN 76.A O no hydrogen 3.165 N/A ARG 75.A N ASP 72.A O no hydrogen 3.164 N/A ARG 75.A NH1 TYR 371.A OH no hydrogen 3.046 N/A VAL 78.A N LEU 70.A O no hydrogen 3.340 N/A TYR 79.A N ILE 45.A O no hydrogen 2.362 N/A GLY 80.A N THR 66.A O no hydrogen 2.677 N/A LEU 81.A N ALA 43.A O no hydrogen 2.750 N/A TYR 82.A N ARG 64.A O no hydrogen 2.780 N/A CYS 83.A N SER 41.A O no hydrogen 3.373 N/A ARG 87.A N ASP 14.A OD2 no hydrogen 3.091 N/A GLN 88.A N ALA 85.A O no hydrogen 3.168 N/A LEU 89.A N ALA 85.A O no hydrogen 3.109 N/A MET 90.A N HIS 86.A O no hydrogen 2.872 N/A ASN 91.A N ARG 87.A O no hydrogen 3.037 N/A TYR 92.A N GLN 88.A O no hydrogen 2.829 N/A TYR 92.A OH GLN 61.A O no hydrogen 2.920 N/A GLU 93.A N LEU 89.A O no hydrogen 3.104 N/A LYS 94.A N MET 90.A O no hydrogen 3.380 N/A ARG 95.A N ASN 91.A O no hydrogen 3.382 N/A ARG 95.A NH1 GLU 60.A OE2 no hydrogen 2.550 N/A LEU 96.A N TYR 92.A O no hydrogen 2.704 N/A ARG 97.A N GLU 93.A O no hydrogen 2.620 N/A GLU 98.A N LYS 94.A O no hydrogen 2.705 N/A GLY 99.A N ARG 95.A O no hydrogen 2.923 N/A GLY 99.A N LEU 96.A O no hydrogen 3.142 N/A GLY 100.A N ARG 97.A O no hydrogen 2.907 N/A VAL 101.A N LEU 96.A O no hydrogen 2.824 N/A THR 102.A OG1 GLN 49.A OE1 no hydrogen 3.079 N/A TYR 104.A N PHE 44.A O no hydrogen 2.783 N/A TYR 104.A OH ASP 72.A OD1 no hydrogen 2.169 N/A ARG 109.A NH2 ASP 107.A O no hydrogen 3.565 N/A ARG 113.A N ARG 109.A O no hydrogen 3.205 N/A ARG 113.A NH2 GLU 105.A OE1 no hydrogen 2.259 N/A TYR 114.A N PRO 110.A O no hydrogen 3.327 N/A LEU 115.A N PRO 111.A O no hydrogen 3.058 N/A MET 116.A N GLU 112.A O no hydrogen 2.506 N/A GLU 117.A N ARG 113.A O no hydrogen 3.005 N/A ARG 118.A N LEU 115.A O no hydrogen 2.915 N/A PHE 119.A N MET 116.A O no hydrogen 3.274 N/A ILE 120.A N LEU 115.A O no hydrogen 2.928 N/A THR 121.A OG1 THR 342.A O no hydrogen 2.820 N/A SER 122.A N THR 121.A OG1 no hydrogen 2.367 N/A VAL 124.A N GLY 5.A O no hydrogen 2.994 N/A TRP 125.A N LYS 141.A O no hydrogen 2.850 N/A VAL 126.A N GLN 3.A O no hydrogen 2.757 N/A GLU 127.A N ARG 139.A O no hydrogen 3.216 N/A ASP 129.A N VAL 136.A O no hydrogen 2.949 N/A HIS 131.A N THR 134.A O no hydrogen 2.737 N/A THR 134.A N HIS 131.A O no hydrogen 3.334 N/A ILE 135.A N GLN 33.A O no hydrogen 3.055 N/A VAL 136.A N ASP 129.A O no hydrogen 2.654 N/A ALA 138.A N THR 35.A O no hydrogen 3.482 N/A ARG 139.A N GLU 127.A O no hydrogen 3.070 N/A LEU 140.A N TYR 114.A OH no hydrogen 3.098 N/A LYS 141.A N TRP 125.A O no hydrogen 3.240 N/A HIS 143.A N PRO 123.A O no hydrogen 3.096 N/A TYR 146.A OH ASP 28.A OD1 no hydrogen 2.602 N/A ARG 147.A NE GLU 339.A OE2 no hydrogen 2.594 N/A ARG 147.A NH1 TYR 146.A O no hydrogen 2.199 N/A LYS 151.A N ASP 218.A OD2 no hydrogen 2.816 N/A LYS 151.A NZ TYR 215.A O no hydrogen 2.769 N/A VAL 153.A N VAL 219.A O no hydrogen 3.144 N/A SER 154.A N GLU 171.A O no hydrogen 2.557 N/A SER 154.A OG CYS 321.A O no hydrogen 2.794 N/A ILE 155.A N ILE 221.A O no hydrogen 3.292 N/A ASP 156.A N GLY 169.A O no hydrogen 3.236 N/A GLU 158.A N CYS 167.A O no hydrogen 3.375 N/A THR 159.A OG1 THR 160.A O no hydrogen 3.335 N/A THR 160.A N GLU 164.A O no hydrogen 2.547 N/A GLY 163.A N THR 160.A O no hydrogen 2.929 N/A TYR 166.A N GLU 158.A O no hydrogen 2.891 N/A TYR 166.A OH ASP 303.A OD1 no hydrogen 1.987 N/A CYS 167.A N GLU 158.A O no hydrogen 3.297 N/A ILE 168.A N TYR 179.A O no hydrogen 2.978 N/A GLY 169.A N ASP 156.A O no hydrogen 2.820 N/A LEU 170.A N ILE 177.A O no hydrogen 3.034 N/A GLU 171.A N SER 154.A O no hydrogen 2.910 N/A GLY 172.A N GLN 175.A O no hydrogen 3.005 N/A CYS 173.A SG TRP 152.A O no hydrogen 3.504 N/A CYS 173.A SG TYR 215.A O no hydrogen 3.889 N/A GLN 175.A N GLY 172.A O no hydrogen 2.918 N/A ARG 176.A NE GLU 322.A OE2 no hydrogen 3.332 N/A ARG 176.A NH2 GLU 322.A OE2 no hydrogen 2.802 N/A ILE 177.A N LEU 170.A O no hydrogen 3.243 N/A VAL 178.A N GLU 194.A O no hydrogen 2.968 N/A TYR 179.A N ILE 168.A O no hydrogen 2.828 N/A MET 180.A N GLU 196.A O no hydrogen 2.997 N/A GLY 182.A N VAL 198.A O no hydrogen 2.432 N/A ASN 185.A N TYR 197.A OH no hydrogen 3.474 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.722 N/A GLU 194.A N ARG 176.A O no hydrogen 3.089 N/A GLU 196.A N VAL 178.A O no hydrogen 3.090 N/A ARG 201.A NE LEU 165.A O no hydrogen 3.003 N/A ARG 201.A NH2 LEU 165.A O no hydrogen 3.309 N/A GLN 203.A N SER 200.A O no hydrogen 3.242 N/A LEU 204.A N SER 200.A O no hydrogen 3.241 N/A LEU 204.A N ARG 201.A O no hydrogen 2.618 N/A LEU 205.A N ARG 201.A O no hydrogen 3.169 N/A GLU 206.A N PRO 202.A O no hydrogen 2.966 N/A LYS 207.A N GLN 203.A O no hydrogen 2.657 N/A LEU 208.A N LEU 204.A O no hydrogen 3.120 N/A ASN 209.A N LEU 205.A O no hydrogen 2.903 N/A ASN 209.A ND2 PRO 243.A O no hydrogen 3.055 N/A ALA 210.A N GLU 206.A O no hydrogen 3.265 N/A TRP 211.A N LYS 207.A O no hydrogen 3.138 N/A PHE 212.A N LEU 208.A O no hydrogen 2.961 N/A ALA 213.A N ASN 209.A O no hydrogen 3.067 N/A ASN 214.A N ALA 210.A O no hydrogen 3.023 N/A TYR 215.A N TRP 211.A O no hydrogen 2.708 N/A ASP 216.A N PHE 212.A O no hydrogen 2.936 N/A ASP 218.A N LYS 151.A O no hydrogen 2.343 N/A VAL 219.A N LYS 151.A O no hydrogen 3.122 N/A ILE 220.A N LEU 264.A O no hydrogen 2.677 N/A ILE 221.A N VAL 153.A O no hydrogen 2.914 N/A TRP 223.A NE1 PHE 282.A O no hydrogen 2.964 N/A GLN 227.A NE2 PHE 256.A O no hydrogen 3.206 N/A PHE 228.A N ASN 224.A O no hydrogen 3.358 N/A LEU 230.A N VAL 225.A O no hydrogen 2.522 N/A ARG 231.A N VAL 226.A O no hydrogen 2.917 N/A ARG 231.A NH2 GLN 227.A OE1 no hydrogen 3.139 N/A MET 232.A N PHE 228.A O no hydrogen 3.010 N/A LEU 233.A N ASP 229.A O no hydrogen 3.075 N/A GLN 234.A N LEU 230.A O no hydrogen 2.869 N/A GLN 234.A N ARG 231.A O no hydrogen 2.951 N/A LYS 235.A N MET 232.A O no hydrogen 3.013 N/A HIS 236.A ND1 MET 232.A O no hydrogen 2.817 N/A ALA 237.A N LEU 233.A O no hydrogen 3.244 N/A GLU 238.A N GLN 234.A O no hydrogen 2.377 N/A ARG 239.A N LYS 235.A O no hydrogen 2.487 N/A TYR 240.A N ALA 237.A O no hydrogen 3.290 N/A LEU 242.A N ALA 237.A O no hydrogen 2.775 N/A ARG 245.A N ASN 209.A OD1 no hydrogen 2.789 N/A ARG 248.A N LYS 261.A O no hydrogen 2.664 N/A ARG 248.A NH1 GLY 262.A O no hydrogen 2.373 N/A ARG 248.A NH2 ASP 216.A O no hydrogen 3.337 N/A ARG 248.A NH2 ASP 218.A OD1 no hydrogen 2.161 N/A SER 251.A N GLY 247.A O no hydrogen 2.758 N/A GLU 252.A N SER 251.A OG no hydrogen 2.720 N/A LEU 253.A N LEU 244.A O no hydrogen 2.995 N/A GLU 254.A N GLN 259.A O no hydrogen 3.240 N/A GLN 259.A N GLU 254.A O no hydrogen 3.155 N/A GLN 259.A NE2 ALA 260.A O no hydrogen 3.618 N/A ARG 263.A NE PRO 217.A O no hydrogen 3.131 N/A ARG 263.A NH1 LEU 246.A O no hydrogen 2.851 N/A LEU 264.A N ASP 218.A O no hydrogen 3.090 N/A ILE 266.A N ILE 220.A O no hydrogen 2.772 N/A GLY 268.A N GLY 222.A O no hydrogen 2.926 N/A ILE 269.A N ASP 267.A OD2 no hydrogen 2.308 N/A GLU 270.A N ASP 267.A OD2 no hydrogen 3.342 N/A ALA 271.A N ASP 267.A O no hydrogen 2.682 N/A LEU 272.A N GLY 268.A O no hydrogen 2.664 N/A LYS 273.A N ILE 269.A O no hydrogen 3.100 N/A SER 274.A N GLU 270.A O no hydrogen 2.933 N/A SER 274.A OG GLU 270.A O no hydrogen 2.577 N/A SER 274.A OG ALA 271.A O no hydrogen 3.382 N/A ALA 275.A N ALA 271.A O no hydrogen 3.061 N/A PHE 276.A N LYS 273.A O no hydrogen 2.501 N/A TRP 277.A N LEU 272.A O no hydrogen 3.099 N/A SER 280.A OG GLU 290.A OE1 no hydrogen 2.786 N/A THR 286.A N SER 283.A OG no hydrogen 3.350 N/A THR 286.A OG1 SER 283.A OG no hydrogen 3.066 N/A VAL 287.A N SER 283.A O no hydrogen 2.830 N/A ALA 288.A N LEU 284.A O no hydrogen 3.071 N/A GLN 289.A N THR 286.A O no hydrogen 3.134 N/A GLN 289.A NE2 GLU 294.A O no hydrogen 2.230 N/A GLU 290.A N VAL 287.A O no hydrogen 3.309 N/A LEU 292.A N ALA 288.A O no hydrogen 2.527 N/A ARG 298.A NE ASP 297.A O no hydrogen 3.383 N/A ASP 303.A N MET 299.A O no hydrogen 3.249 N/A ARG 304.A N ASP 300.A O no hydrogen 3.171 N/A ARG 304.A NH1 GLU 301.A OE2 no hydrogen 2.302 N/A ARG 305.A N GLU 301.A O no hydrogen 2.998 N/A PHE 306.A N ILE 302.A O no hydrogen 3.202 N/A ALA 307.A N ARG 304.A O no hydrogen 2.796 N/A GLU 308.A N ARG 304.A O no hydrogen 2.466 N/A ASP 309.A N ARG 305.A O no hydrogen 2.771 N/A LYS 310.A N ASN 185.A OD1 no hydrogen 2.631 N/A LYS 310.A NZ PRO 183.A O no hydrogen 2.728 N/A LYS 310.A NZ PHE 306.A O no hydrogen 3.273 N/A ALA 312.A N ASP 309.A O no hydrogen 3.285 N/A ALA 312.A N ASP 309.A OD2 no hydrogen 2.989 N/A ALA 314.A N LYS 310.A O no hydrogen 2.825 N/A THR 315.A N PRO 311.A O no hydrogen 3.206 N/A TYR 316.A N ALA 312.A O no hydrogen 2.679 N/A TYR 316.A N LEU 313.A O no hydrogen 2.808 N/A ASN 317.A N LEU 313.A O no hydrogen 2.877 N/A LEU 318.A N ALA 314.A O no hydrogen 2.851 N/A LYS 319.A N THR 315.A O no hydrogen 3.241 N/A ASN 320.A N TYR 316.A O no hydrogen 3.368 N/A ASN 320.A ND2 ASP 156.A OD2 no hydrogen 3.466 N/A CYS 321.A N ASN 317.A O no hydrogen 3.297 N/A CYS 321.A SG GLY 169.A O no hydrogen 3.698 N/A CYS 321.A SG ASN 317.A O no hydrogen 3.609 N/A CYS 321.A SG ASN 317.A OD1 no hydrogen 3.639 N/A GLU 322.A N LEU 318.A O no hydrogen 3.060 N/A LEU 323.A N LYS 319.A O no hydrogen 2.930 N/A VAL 324.A N ASN 320.A O no hydrogen 3.178 N/A THR 325.A N CYS 321.A O no hydrogen 3.162 N/A THR 325.A OG1 GLU 171.A OE1 no hydrogen 3.517 N/A GLN 326.A N GLU 322.A O no hydrogen 2.725 N/A ILE 327.A N LEU 323.A O no hydrogen 2.872 N/A PHE 328.A N VAL 324.A O no hydrogen 2.948 N/A HIS 329.A N THR 325.A O no hydrogen 3.123 N/A HIS 329.A ND1 THR 325.A O no hydrogen 3.095 N/A LYS 330.A N GLN 326.A O no hydrogen 2.821 N/A LYS 330.A NZ LEU 291.A O no hydrogen 3.349 N/A THR 331.A N ILE 327.A O no hydrogen 3.126 N/A THR 331.A OG1 ILE 327.A O no hydrogen 2.286 N/A THR 331.A OG1 PHE 328.A O no hydrogen 3.169 N/A GLU 332.A N HIS 329.A O no hydrogen 3.145 N/A ILE 333.A N PHE 328.A O no hydrogen 3.205 N/A LEU 337.A N ILE 333.A O no hydrogen 3.019 N/A LEU 338.A N MET 334.A O no hydrogen 2.864 N/A GLU 339.A N PRO 335.A O no hydrogen 2.788 N/A ARG 340.A N PHE 336.A O no hydrogen 2.701 N/A ALA 341.A N LEU 337.A O no hydrogen 2.648 N/A THR 342.A N LEU 338.A O no hydrogen 2.938 N/A THR 342.A N GLU 339.A O no hydrogen 3.278 N/A THR 342.A OG1 LEU 338.A O no hydrogen 2.880 N/A VAL 343.A N GLU 339.A O no hydrogen 3.296 N/A VAL 343.A N ARG 340.A O no hydrogen 2.608 N/A ASN 344.A N ARG 340.A O no hydrogen 2.998 N/A GLY 345.A N ALA 341.A O no hydrogen 3.012 N/A LEU 346.A N ASN 344.A OD1 no hydrogen 2.279 N/A ASP 349.A N ASP 349.A OD2 no hydrogen 2.451 N/A ARG 350.A N PRO 347.A O no hydrogen 3.051 N/A ALA 356.A N GLY 353.A O no hydrogen 2.890 N/A ALA 357.A N GLY 353.A O no hydrogen 3.173 N/A PHE 358.A N SER 354.A O no hydrogen 3.139 N/A GLY 359.A N VAL 355.A O no hydrogen 3.199 N/A HIS 360.A N ALA 356.A O no hydrogen 2.788 N/A HIS 360.A NE2 ILE 120.A O no hydrogen 2.522 N/A LEU 361.A N ALA 357.A O no hydrogen 2.915 N/A TYR 362.A N PHE 358.A O no hydrogen 2.699 N/A TYR 362.A OH ASP 419.A OD2 no hydrogen 1.795 N/A PHE 363.A N GLY 359.A O no hydrogen 3.113 N/A ARG 365.A NH2 ASN 457.A OD1 no hydrogen 3.426 N/A MET 366.A N TYR 362.A O no hydrogen 2.806 N/A HIS 367.A N PHE 363.A O no hydrogen 2.475 N/A HIS 367.A ND1 TYR 371.A O no hydrogen 3.072 N/A ARG 368.A N PRO 364.A O no hydrogen 2.930 N/A ARG 368.A NH1 GLU 117.A OE1 no hydrogen 3.321 N/A ARG 368.A NH1 PRO 364.A O no hydrogen 3.009 N/A ARG 368.A NH2 GLU 117.A O no hydrogen 2.995 N/A ALA 369.A N MET 366.A O no hydrogen 2.716 N/A GLY 370.A N HIS 367.A O no hydrogen 2.969 N/A TYR 371.A N MET 366.A O no hydrogen 3.409 N/A TYR 371.A OH GLU 425.A OE2 no hydrogen 2.016 N/A VAL 372.A N LYS 71.A O no hydrogen 2.875 N/A ALA 373.A N GLU 105.A OE2 no hydrogen 3.223 N/A ASN 375.A N GLU 378.A OE2 no hydrogen 3.204 N/A ASN 375.A ND2 VAL 103.A O no hydrogen 2.617 N/A SER 384.A OG HIS 382.A O no hydrogen 3.145 N/A ARG 393.A N ILE 527.A O no hydrogen 2.919 N/A GLY 395.A N MET 588.A O no hydrogen 2.806 N/A TYR 397.A N PHE 586.A O no hydrogen 2.614 N/A TYR 397.A OH ARG 393.A O no hydrogen 2.387 N/A SER 399.A N CYS 584.A O no hydrogen 2.533 N/A VAL 400.A N PHE 583.A O no hydrogen 2.944 N/A LEU 401.A N VAL 536.A O no hydrogen 2.875 N/A VAL 402.A N THR 581.A O no hydrogen 2.830 N/A LEU 403.A N THR 534.A O no hydrogen 3.073 N/A ASP 404.A N GLU 578.A O no hydrogen 2.868 N/A TYR 405.A N ASP 532.A O no hydrogen 3.019 N/A TYR 405.A OH THR 515.A OG1 no hydrogen 3.388 N/A LYS 406.A N GLU 576.A O no hydrogen 2.985 N/A LYS 406.A NZ ASP 463.A OD2 no hydrogen 3.023 N/A SER 411.A N SER 407.A O no hydrogen 2.714 N/A SER 411.A OG LYS 406.A O no hydrogen 2.805 N/A SER 411.A OG SER 407.A O no hydrogen 2.889 N/A ILE 412.A N LEU 408.A O no hydrogen 2.843 N/A ILE 413.A N TYR 409.A O no hydrogen 2.961 N/A ARG 414.A N PRO 410.A O no hydrogen 3.046 N/A THR 415.A N SER 411.A O no hydrogen 2.743 N/A THR 415.A OG1 SER 411.A O no hydrogen 2.680 N/A PHE 416.A N ILE 412.A O no hydrogen 2.548 N/A ILE 418.A N ILE 413.A O no hydrogen 3.180 N/A VAL 421.A N TYR 362.A OH no hydrogen 3.334 N/A LEU 423.A N ASP 419.A O no hydrogen 3.348 N/A GLU 425.A N VAL 421.A O no hydrogen 3.074 N/A GLY 426.A N GLY 422.A O no hydrogen 2.824 N/A MET 427.A N VAL 424.A O no hydrogen 3.417 N/A GLU 433.A N ASP 431.A O no hydrogen 2.611 N/A HIS 434.A N ASP 431.A O no hydrogen 3.199 N/A SER 435.A OG GLN 429.A O no hydrogen 2.803 N/A SER 435.A OG HIS 434.A O no hydrogen 2.110 N/A THR 436.A N PHE 444.A O no hydrogen 2.889 N/A GLY 438.A N ALA 442.A O no hydrogen 2.748 N/A PHE 439.A N SER 503.A OG no hydrogen 3.357 N/A PHE 444.A N THR 436.A O no hydrogen 3.051 N/A SER 445.A N GLY 422.A O no hydrogen 2.758 N/A ARG 446.A NE SER 435.A O no hydrogen 3.283 N/A ARG 446.A NH2 SER 435.A O no hydrogen 3.404 N/A LYS 448.A NZ ALA 369.A O no hydrogen 3.387 N/A CYS 450.A N ASP 419.A OD1 no hydrogen 2.531 N/A LEU 451.A N ASP 419.A OD2 no hydrogen 3.441 N/A GLU 453.A N GLU 453.A OE2 no hydrogen 2.496 N/A ILE 454.A N CYS 450.A O no hydrogen 3.036 N/A VAL 455.A N LEU 451.A O no hydrogen 2.856 N/A THR 456.A N PRO 452.A O no hydrogen 2.965 N/A ASN 457.A N GLU 453.A O no hydrogen 2.883 N/A ILE 458.A N ILE 454.A O no hydrogen 3.369 N/A TRP 459.A N VAL 455.A O no hydrogen 2.959 N/A HIS 460.A N THR 456.A O no hydrogen 2.818 N/A GLY 461.A N ASN 457.A O no hydrogen 2.894 N/A ARG 462.A N ILE 458.A O no hydrogen 2.762 N/A ARG 462.A NE ASP 463.A OD1 no hydrogen 3.279 N/A ASP 463.A N TRP 459.A O no hydrogen 2.731 N/A GLU 464.A N HIS 460.A O no hydrogen 2.850 N/A ALA 465.A N GLY 461.A O no hydrogen 2.761 N/A LYS 466.A N ARG 462.A O no hydrogen 3.364 N/A ASN 470.A N ALA 465.A O no hydrogen 3.102 N/A LEU 473.A N ASN 470.A O no hydrogen 2.808 N/A LEU 473.A N ASN 470.A OD1 no hydrogen 3.038 N/A SER 474.A N ASN 470.A O no hydrogen 3.203 N/A SER 474.A OG ARG 462.A O no hydrogen 3.432 N/A GLN 475.A N LYS 471.A O no hydrogen 2.923 N/A ALA 476.A N PRO 472.A O no hydrogen 3.215 N/A LEU 477.A N LEU 473.A O no hydrogen 2.678 N/A LYS 478.A N SER 474.A O no hydrogen 2.816 N/A ILE 479.A N GLN 475.A O no hydrogen 3.177 N/A ASN 482.A N LYS 478.A O no hydrogen 2.907 N/A ALA 483.A N ILE 480.A O no hydrogen 2.307 N/A PHE 484.A N MET 481.A O no hydrogen 3.280 N/A TYR 485.A OH THR 505.A OG1 no hydrogen 2.697 N/A VAL 487.A N ALA 483.A O no hydrogen 3.363 N/A LEU 488.A N PHE 484.A O no hydrogen 3.192 N/A GLY 489.A N TYR 485.A O no hydrogen 3.213 N/A GLY 489.A N GLY 486.A O no hydrogen 3.254 N/A THR 490.A N VAL 487.A O no hydrogen 3.009 N/A CYS 493.A N THR 490.A O no hydrogen 3.323 N/A ARG 494.A NE PRO 374.A O no hydrogen 2.865 N/A ARG 494.A NH1 ASP 107.A OD1 no hydrogen 2.965 N/A PHE 496.A N CYS 493.A O no hydrogen 2.791 N/A ARG 499.A NE ASP 497.A OD2 no hydrogen 2.867 N/A LEU 500.A N ASP 497.A O no hydrogen 2.989 N/A SER 502.A N PRO 498.A O no hydrogen 3.138 N/A SER 503.A N ARG 499.A O no hydrogen 3.118 N/A SER 503.A OG ARG 499.A O no hydrogen 2.295 N/A ILE 504.A N ALA 501.A O no hydrogen 2.934 N/A THR 505.A N ALA 501.A O no hydrogen 2.531 N/A THR 505.A OG1 TYR 485.A OH no hydrogen 2.697 N/A MET 506.A N SER 502.A O no hydrogen 2.623 N/A ARG 507.A N ILE 504.A O no hydrogen 3.031 N/A ARG 507.A NE GLN 510.A OE1 no hydrogen 2.593 N/A ARG 507.A NH1 GLU 437.A O no hydrogen 3.530 N/A GLY 508.A N ILE 504.A O no hydrogen 3.057 N/A GLY 508.A N THR 505.A O no hydrogen 3.006 N/A HIS 509.A N THR 505.A O no hydrogen 3.411 N/A ILE 511.A N ARG 507.A O no hydrogen 2.837 N/A MET 512.A N GLY 508.A O no hydrogen 2.999 N/A ARG 513.A N HIS 509.A O no hydrogen 2.795 N/A GLN 514.A N GLN 510.A O no hydrogen 2.753 N/A GLN 514.A NE2 GLN 514.A O no hydrogen 3.182 N/A THR 515.A N ILE 511.A O no hydrogen 2.654 N/A THR 515.A OG1 TYR 405.A OH no hydrogen 3.388 N/A THR 515.A OG1 ILE 511.A O no hydrogen 2.399 N/A LYS 516.A N MET 512.A O no hydrogen 3.373 N/A LEU 518.A N GLN 514.A O no hydrogen 2.863 N/A ILE 519.A N THR 515.A O no hydrogen 3.021 N/A GLU 520.A N LYS 516.A O no hydrogen 2.808 N/A ALA 521.A N ALA 517.A O no hydrogen 3.084 N/A GLN 522.A N ILE 519.A O no hydrogen 2.541 N/A GLN 522.A NE2 LEU 518.A O no hydrogen 3.429 N/A GLY 523.A N GLU 520.A O no hydrogen 3.165 N/A ASP 525.A N TRP 537.A O no hydrogen 3.022 N/A ILE 527.A N PHE 535.A O no hydrogen 3.155 N/A ASP 530.A N SER 533.A O no hydrogen 2.938 N/A THR 534.A N LEU 403.A O no hydrogen 2.891 N/A PHE 535.A N TYR 528.A O no hydrogen 3.148 N/A VAL 536.A N LEU 401.A O no hydrogen 2.868 N/A TRP 537.A N ASP 525.A O no hydrogen 2.460 N/A LEU 538.A N SER 399.A O no hydrogen 3.148 N/A LYS 539.A NZ GLY 523.A O no hydrogen 2.698 N/A GLU 546.A N SER 543.A OG no hydrogen 2.848 N/A ALA 547.A N SER 543.A O no hydrogen 3.133 N/A ALA 548.A N GLU 544.A O no hydrogen 3.176 N/A LYS 549.A N GLU 545.A O no hydrogen 3.277 N/A ILE 550.A N GLU 546.A O no hydrogen 3.052 N/A GLY 551.A N ALA 547.A O no hydrogen 2.839 N/A ARG 552.A N ALA 548.A O no hydrogen 2.714 N/A ALA 553.A N LYS 549.A O no hydrogen 2.808 N/A LEU 554.A N ILE 550.A O no hydrogen 2.868 N/A VAL 555.A N GLY 551.A O no hydrogen 3.286 N/A HIS 557.A N ALA 553.A O no hydrogen 2.797 N/A VAL 558.A N LEU 554.A O no hydrogen 2.760 N/A ASN 559.A N VAL 555.A O no hydrogen 2.799 N/A ASN 559.A ND2 LEU 577.A O no hydrogen 3.442 N/A ALA 560.A N GLN 556.A O no hydrogen 2.797 N/A TRP 561.A N HIS 557.A O no hydrogen 3.339 N/A TRP 562.A N VAL 558.A O no hydrogen 3.263 N/A TRP 562.A NE1 TYR 405.A OH no hydrogen 2.980 N/A ALA 563.A N ASN 559.A O no hydrogen 3.222 N/A GLU 564.A N ALA 560.A O no hydrogen 2.686 N/A THR 565.A N TRP 561.A O no hydrogen 2.523 N/A LEU 566.A N TRP 562.A O no hydrogen 2.861 N/A GLN 567.A N GLU 564.A O no hydrogen 3.409 N/A LEU 571.A N LEU 566.A O no hydrogen 3.067 N/A ALA 574.A N THR 415.A OG1 no hydrogen 3.054 N/A LEU 575.A N SER 573.A OG no hydrogen 2.945 N/A LEU 577.A N ASN 559.A OD1 no hydrogen 3.065 N/A GLU 578.A N ASP 404.A O no hydrogen 2.568 N/A GLU 580.A N VAL 402.A O no hydrogen 2.976 N/A THR 581.A N VAL 402.A O no hydrogen 3.457 N/A PHE 583.A N VAL 400.A O no hydrogen 2.835 N/A CYS 584.A N LEU 596.A O no hydrogen 2.948 N/A CYS 584.A SG LEU 596.A O no hydrogen 2.914 N/A ARG 585.A NE ILE 632.A O no hydrogen 3.583 N/A ARG 585.A NE PHE 633.A O no hydrogen 2.187 N/A PHE 586.A N TYR 397.A O no hydrogen 2.914 N/A LEU 587.A N ALA 594.A O no hydrogen 2.606 N/A MET 588.A N GLY 395.A O no hydrogen 2.971 N/A ARG 592.A NE GLY 609.A O no hydrogen 3.339 N/A TYR 593.A N LYS 608.A O no hydrogen 2.975 N/A ALA 594.A N LEU 587.A O no hydrogen 2.858 N/A GLY 595.A N VAL 606.A O no hydrogen 3.256 N/A LEU 596.A N ARG 585.A O no hydrogen 2.727 N/A ILE 597.A N ARG 604.A O no hydrogen 2.574 N/A LYS 602.A N GLU 599.A O no hydrogen 2.519 N/A ARG 604.A N ILE 597.A O no hydrogen 2.516 N/A ARG 604.A NE GLU 599.A OE2 no hydrogen 2.804 N/A ARG 604.A NH2 GLU 599.A OE1 no hydrogen 2.296 N/A ARG 604.A NH2 GLU 599.A OE2 no hydrogen 2.724 N/A VAL 606.A N GLY 595.A O no hydrogen 3.140 N/A LYS 608.A N TYR 593.A O no hydrogen 3.038 N/A THR 612.A OG1 GLN 625.A OE1 no hydrogen 1.934 N/A VAL 613.A N LEU 610.A O no hydrogen 2.489 N/A GLN 622.A N THR 618.A O no hydrogen 2.896 N/A GLN 623.A N PRO 619.A O no hydrogen 3.198 N/A PHE 624.A N LEU 620.A O no hydrogen 2.792 N/A GLN 625.A N ALA 621.A O no hydrogen 2.929 N/A GLN 625.A NE2 TYR 629.A OH no hydrogen 3.437 N/A GLN 626.A N GLN 622.A O no hydrogen 3.290 N/A GLU 627.A N GLN 623.A O no hydrogen 2.955 N/A LEU 628.A N PHE 624.A O no hydrogen 2.801 N/A TYR 629.A N GLN 625.A O no hydrogen 2.673 N/A LEU 630.A N GLN 626.A O no hydrogen 3.006 N/A ARG 631.A N GLU 627.A O no hydrogen 3.218 N/A ILE 632.A N LEU 628.A O no hydrogen 3.297 N/A PHE 633.A N TYR 629.A O no hydrogen 2.623 N/A ARG 634.A N LEU 630.A O no hydrogen 2.748 N/A ARG 634.A NE GLN 603.A OE1 no hydrogen 3.354 N/A ASN 635.A N ILE 632.A O no hydrogen 2.765 N/A GLU 636.A N ARG 631.A O no hydrogen 2.774 N/A VAL 642.A N TYR 638.A O no hydrogen 3.333 N/A ARG 643.A NE ASP 647.A OD1 no hydrogen 3.019 N/A ARG 643.A NH2 THR 753.A O no hydrogen 2.895 N/A GLU 644.A N GLU 640.A O no hydrogen 3.074 N/A THR 645.A N TYR 641.A O no hydrogen 3.008 N/A THR 645.A OG1 TYR 641.A O no hydrogen 2.304 N/A ILE 646.A N VAL 642.A O no hydrogen 3.032 N/A ASP 647.A N ARG 643.A O no hydrogen 2.371 N/A LYS 648.A N GLU 644.A O no hydrogen 2.512 N/A LEU 649.A N THR 645.A O no hydrogen 2.907 N/A MET 650.A N ILE 646.A O no hydrogen 2.935 N/A ALA 651.A N ASP 647.A O no hydrogen 2.883 N/A GLY 652.A N LEU 649.A O no hydrogen 3.029 N/A GLU 653.A N LYS 648.A O no hydrogen 3.112 N/A LEU 658.A N ASP 655.A O no hydrogen 2.845 N/A TYR 660.A N TYR 706.A O no hydrogen 3.005 N/A LYS 662.A NZ TYR 706.A OH no hydrogen 2.355 N/A LEU 664.A N GLY 702.A O no hydrogen 1.670 N/A ARG 666.A NE ARG 665.A O no hydrogen 3.350 N/A LEU 668.A N GLN 699.A O no hydrogen 3.129 N/A GLU 670.A N PRO 667.A O no hydrogen 2.466 N/A TYR 671.A N LEU 668.A O no hydrogen 2.876 N/A ALA 681.A N PRO 677.A O no hydrogen 2.641 N/A ALA 682.A N VAL 679.A O no hydrogen 2.971 N/A ARG 683.A N VAL 679.A O no hydrogen 3.086 N/A ARG 683.A NH2 LEU 668.A O no hydrogen 2.804 N/A ARG 683.A NH2 TYR 671.A O no hydrogen 2.049 N/A LEU 684.A N ARG 680.A O no hydrogen 3.047 N/A ALA 685.A N ALA 681.A O no hydrogen 2.872 N/A ASP 686.A N ALA 682.A O no hydrogen 2.997 N/A GLU 687.A N ARG 683.A O no hydrogen 2.816 N/A ASN 689.A N ASP 686.A O no hydrogen 3.026 N/A GLN 690.A N GLU 687.A O no hydrogen 3.313 N/A LYS 691.A N GLU 687.A O no hydrogen 3.244 N/A ARG 692.A N GLU 688.A O no hydrogen 3.439 N/A ARG 694.A N ASN 689.A O no hydrogen 2.400 N/A GLN 697.A N ASN 689.A OD1 no hydrogen 3.277 N/A GLN 697.A NE2 ASP 297.A OD2 no hydrogen 2.822 N/A TYR 698.A N ASP 686.A OD1 no hydrogen 3.178 N/A ILE 704.A N LYS 662.A O no hydrogen 2.693 N/A VAL 707.A N GLU 714.A O no hydrogen 2.519 N/A TRP 708.A N TYR 728.A OH no hydrogen 3.167 N/A THR 709.A N GLY 712.A O no hydrogen 3.084 N/A THR 709.A OG1 GLY 712.A O no hydrogen 2.280 N/A THR 709.A OG1 SER 721.A OG no hydrogen 3.347 N/A THR 710.A N PRO 722.A O no hydrogen 2.968 N/A GLY 712.A N THR 709.A O no hydrogen 3.430 N/A GLU 714.A N VAL 707.A O no hydrogen 2.608 N/A LEU 716.A N LYS 705.A O no hydrogen 3.334 N/A GLN 719.A NE2 SER 721.A O no hydrogen 2.855 N/A ARG 720.A N GLU 714.A OE1 no hydrogen 3.162 N/A SER 721.A N GLU 714.A OE1 no hydrogen 3.337 N/A SER 721.A OG THR 709.A OG1 no hydrogen 3.347 N/A SER 721.A OG GLU 714.A OE2 no hydrogen 2.006 N/A ASP 724.A N TRP 708.A O no hydrogen 3.238 N/A TYR 725.A OH ASP 655.A OD1 no hydrogen 2.945 N/A TYR 725.A OH ASP 655.A OD2 no hydrogen 3.362 N/A HIS 727.A N ASP 724.A O no hydrogen 3.230 N/A HIS 727.A N ASP 724.A OD1 no hydrogen 2.936 N/A TYR 728.A OH LEU 658.A O no hydrogen 3.011 N/A LEU 729.A N TYR 725.A O no hydrogen 2.797 N/A THR 730.A N GLU 726.A O no hydrogen 3.062 N/A THR 730.A OG1 GLU 726.A O no hydrogen 2.230 N/A ARG 731.A N HIS 727.A O no hydrogen 2.508 N/A GLN 732.A N TYR 728.A O no hydrogen 2.657 N/A LEU 733.A N TYR 728.A O no hydrogen 3.007 N/A GLN 734.A N LEU 729.A O no hydrogen 2.503 N/A ALA 737.A N LEU 733.A O no hydrogen 3.107 N/A GLU 738.A N GLN 734.A O no hydrogen 2.844 N/A GLY 739.A N PRO 735.A O no hydrogen 2.901 N/A ILE 740.A N ALA 737.A O no hydrogen 3.392 N/A LEU 741.A N ALA 737.A O no hydrogen 3.129 N/A GLU 745.A N LEU 741.A O no hydrogen 2.939 N/A GLY 754.A N LEU 758.A O no hydrogen 3.360 N/A LEU 756.A N GLY 754.A O no hydrogen 2.759 N/A