Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 2.A OD1 no hydrogen 2.467 N/A SER 7.A N ASN 4.A O no hydrogen 2.853 N/A SER 8.A N ASN 4.A O no hydrogen 3.113 N/A SER 8.A OG VAL 5.A O no hydrogen 2.993 N/A SER 9.A OG TYR 14.A OH no hydrogen 2.865 N/A THR 10.A OG1 PRO 216.A O no hydrogen 2.801 N/A THR 10.A OG1 GLU 217.A O no hydrogen 2.966 N/A THR 10.A OG1 VAL 219.A O no hydrogen 2.889 N/A ILE 11.A N VAL 219.A O no hydrogen 3.057 N/A ALA 12.A N PRO 216.A O no hydrogen 3.126 N/A THR 13.A OG1 THR 10.A O no hydrogen 3.463 N/A TYR 14.A OH SER 9.A OG no hydrogen 2.865 N/A ILE 15.A N ILE 11.A O no hydrogen 2.954 N/A ASP 16.A N ALA 12.A O no hydrogen 3.007 N/A ALA 17.A N THR 13.A O no hydrogen 3.246 N/A LEU 18.A N TYR 14.A O no hydrogen 3.475 N/A ALA 19.A N ILE 15.A O no hydrogen 3.157 N/A LYS 20.A N ASP 16.A O no hydrogen 3.425 N/A ALA 22.A N LEU 18.A O no hydrogen 2.911 N/A SER 23.A N ALA 19.A O no hydrogen 2.857 N/A SER 23.A OG ALA 19.A O no hydrogen 3.444 N/A SER 23.A OG LYS 20.A O no hydrogen 3.190 N/A GLU 24.A N LYS 20.A O no hydrogen 2.837 N/A LEU 25.A N ASN 21.A O no hydrogen 3.141 N/A GLU 26.A N GLU 24.A O no hydrogen 2.902 N/A GLU 30.A N SER 116.A O no hydrogen 2.918 N/A GLU 32.A N ARG 114.A O no hydrogen 2.784 N/A LEU 33.A N ILE 185.A O no hydrogen 3.240 N/A VAL 34.A N LEU 112.A O no hydrogen 2.629 N/A PHE 35.A N LEU 183.A O no hydrogen 2.861 N/A ILE 36.A N GLU 110.A O no hydrogen 3.259 N/A LYS 37.A NZ ASN 484.A OD1 no hydrogen 3.305 N/A LEU 43.A N LEU 40.A O no hydrogen 3.164 N/A THR 44.A OG1 VAL 456.A O no hydrogen 3.533 N/A ASN 45.A N ILE 41.A O no hydrogen 2.937 N/A ASN 45.A ND2 ILE 211.A O no hydrogen 2.610 N/A VAL 46.A N THR 42.A O no hydrogen 2.971 N/A VAL 47.A N LEU 43.A O no hydrogen 3.197 N/A ASN 48.A N THR 44.A O no hydrogen 3.259 N/A ILE 49.A N VAL 46.A O no hydrogen 2.954 N/A SER 50.A N VAL 47.A O no hydrogen 3.082 N/A SER 50.A OG VAL 47.A O no hydrogen 2.847 N/A THR 51.A N GLN 142.A O no hydrogen 2.595 N/A GLN 53.A NE2 SER 50.A OG no hydrogen 2.780 N/A GLU 54.A N LEU 140.A O no hydrogen 3.066 N/A SER 55.A OG ASN 139.A OD1 no hydrogen 3.270 N/A SER 55.A OG ASN 437.A O no hydrogen 2.287 N/A PHE 56.A N VAL 138.A O no hydrogen 2.877 N/A ILE 57.A N ILE 72.A O no hydrogen 2.813 N/A ARG 58.A N GLU 136.A O no hydrogen 2.826 N/A ARG 58.A NE THR 70.A O no hydrogen 3.349 N/A PHE 59.A N THR 70.A O no hydrogen 2.800 N/A THR 60.A N ARG 134.A O no hydrogen 3.004 N/A VAL 61.A N ILE 68.A O no hydrogen 2.840 N/A LYS 67.A N LYS 99.A O no hydrogen 2.648 N/A ILE 68.A N VAL 61.A O no hydrogen 3.083 N/A ARG 69.A N GLU 97.A O no hydrogen 2.742 N/A THR 70.A N PHE 59.A O no hydrogen 3.101 N/A ILE 72.A N ILE 57.A O no hydrogen 2.923 N/A LEU 74.A N SER 55.A O no hydrogen 3.479 N/A LYS 76.A N PRO 73.A O no hydrogen 3.137 N/A VAL 77.A N LEU 74.A O no hydrogen 2.876 N/A LYS 83.A N GLN 86.A OE1 no hydrogen 2.715 N/A ASN 84.A ND2 LEU 158.A O no hydrogen 3.354 N/A ASN 84.A ND2 SER 160.A O no hydrogen 2.814 N/A VAL 85.A N GLN 163.A O no hydrogen 3.293 N/A LEU 87.A N LYS 83.A O no hydrogen 3.174 N/A VAL 88.A N ASN 84.A O no hydrogen 3.376 N/A ASP 89.A N VAL 85.A O no hydrogen 3.116 N/A ALA 90.A N GLN 86.A O no hydrogen 3.119 N/A ILE 91.A N VAL 88.A O no hydrogen 3.071 N/A VAL 95.A N ASN 93.A OD1 no hydrogen 3.101 N/A TRP 96.A N HIS 121.A O no hydrogen 2.898 N/A GLU 97.A N ARG 69.A O no hydrogen 2.791 N/A LYS 98.A N GLU 119.A O no hydrogen 2.652 N/A LYS 99.A N LYS 67.A O no hydrogen 2.754 N/A LYS 99.A NZ GLU 30.A OE2 no hydrogen 2.977 N/A LYS 99.A NZ GLU 32.A OE2 no hydrogen 2.925 N/A SER 100.A N THR 117.A O no hydrogen 3.283 N/A LEU 101.A N GLY 65.A O no hydrogen 3.309 N/A VAL 102.A N LEU 115.A O no hydrogen 2.701 N/A THR 103.A N LEU 115.A O no hydrogen 3.198 N/A ASN 105.A N LEU 113.A O no hydrogen 3.121 N/A LEU 107.A N CYS 111.A O no hydrogen 3.120 N/A HIS 108.A N CYS 111.A O no hydrogen 3.248 N/A CYS 111.A N HIS 108.A O no hydrogen 3.223 N/A CYS 111.A SG VAL 34.A O no hydrogen 3.727 N/A LEU 112.A N VAL 34.A O no hydrogen 2.901 N/A LEU 113.A N ASN 105.A O no hydrogen 3.489 N/A ARG 114.A N GLU 32.A O no hydrogen 2.635 N/A ARG 114.A NE GLU 104.A OE2 no hydrogen 3.257 N/A LEU 115.A N THR 103.A O no hydrogen 3.280 N/A SER 116.A N GLU 30.A O no hydrogen 2.898 N/A THR 117.A N SER 100.A O no hydrogen 2.857 N/A PHE 123.A N ILE 94.A O no hydrogen 3.357 N/A TYR 126.A OH ILE 91.A O no hydrogen 2.182 N/A LYS 128.A NZ ASP 125.A OD2 no hydrogen 3.411 N/A TYR 129.A N TYR 126.A O no hydrogen 3.161 N/A GLY 130.A N LYS 127.A O no hydrogen 3.380 N/A SER 132.A N TYR 129.A O no hydrogen 2.865 N/A ILE 133.A N GLY 130.A O no hydrogen 3.257 N/A ARG 134.A N THR 60.A O no hydrogen 2.777 N/A LEU 135.A N GLY 159.A O no hydrogen 3.024 N/A LEU 137.A N TYR 156.A O no hydrogen 3.076 N/A VAL 138.A N PHE 56.A O no hydrogen 2.827 N/A ASN 139.A N LEU 154.A O no hydrogen 2.852 N/A LEU 140.A N GLU 54.A O no hydrogen 2.706 N/A ILE 141.A N PHE 152.A O no hydrogen 3.068 N/A GLN 142.A N ILE 52.A O no hydrogen 3.118 N/A ALA 143.A N ILE 150.A O no hydrogen 3.171 N/A THR 145.A N PHE 148.A O no hydrogen 2.749 N/A ASN 147.A N THR 145.A O no hydrogen 2.436 N/A ASN 147.A ND2 GLU 203.A OE1 no hydrogen 3.272 N/A PHE 148.A N THR 145.A O no hydrogen 3.317 N/A THR 149.A N GLU 186.A O no hydrogen 2.967 N/A THR 149.A OG1 THR 188.A OG1 no hydrogen 2.789 N/A ILE 150.A N ALA 143.A O no hydrogen 2.829 N/A ASP 151.A N GLU 184.A O no hydrogen 2.964 N/A PHE 152.A N ILE 141.A O no hydrogen 3.056 N/A LYS 153.A N SER 182.A O no hydrogen 2.746 N/A LYS 153.A NZ GLU 184.A OE1 no hydrogen 3.351 N/A LEU 154.A N ASN 139.A O no hydrogen 3.029 N/A LYS 155.A N ASN 180.A O no hydrogen 2.874 N/A TYR 156.A N LEU 137.A O no hydrogen 2.821 N/A SER 160.A N GLN 163.A OE1 no hydrogen 3.311 N/A ALA 162.A N SER 160.A OG no hydrogen 3.367 N/A SER 166.A OG ASP 81.A O no hydrogen 2.972 N/A SER 167.A OG LYS 165.A O no hydrogen 3.512 N/A HIS 170.A N SER 166.A O no hydrogen 3.494 N/A HIS 170.A ND1 HIS 174.A NE2 no hydrogen 3.059 N/A ALA 171.A N SER 167.A O no hydrogen 3.058 N/A ILE 172.A N LEU 168.A O no hydrogen 3.395 N/A ASN 173.A N LEU 169.A O no hydrogen 3.109 N/A ASN 173.A ND2 PHE 392.A O no hydrogen 3.198 N/A HIS 174.A N HIS 170.A O no hydrogen 2.977 N/A SER 177.A OG ALA 171.A O no hydrogen 2.551 N/A SER 177.A OG HIS 174.A O no hydrogen 3.485 N/A ARG 178.A NE LYS 176.A O no hydrogen 3.411 N/A ARG 178.A NH1 TYR 482.A O no hydrogen 2.540 N/A ARG 178.A NH1 TYR 488.A O no hydrogen 3.357 N/A ARG 178.A NH2 TYR 489.A OH no hydrogen 2.887 N/A SER 182.A N LYS 153.A O no hydrogen 2.953 N/A LEU 183.A N PHE 35.A O no hydrogen 3.278 N/A GLU 184.A N ASP 151.A O no hydrogen 2.873 N/A ILE 185.A N LEU 33.A O no hydrogen 2.920 N/A GLU 186.A N THR 149.A O no hydrogen 2.783 N/A PHE 187.A N LEU 31.A O no hydrogen 3.114 N/A THR 188.A N ASN 147.A O no hydrogen 3.046 N/A THR 188.A OG1 THR 149.A OG1 no hydrogen 2.789 N/A THR 188.A OG1 GLU 186.A O no hydrogen 3.450 N/A VAL 195.A N GLU 26.A OE1 no hydrogen 3.080 N/A GLU 199.A N PRO 196.A O no hydrogen 3.167 N/A LEU 200.A N PRO 196.A O no hydrogen 2.945 N/A ILE 201.A N TYR 197.A O no hydrogen 2.842 N/A LYS 202.A N ASP 198.A O no hydrogen 3.341 N/A GLU 203.A N GLU 199.A O no hydrogen 3.281 N/A LEU 204.A N LEU 200.A O no hydrogen 3.045 N/A THR 205.A N ILE 201.A O no hydrogen 2.695 N/A THR 205.A OG1 ILE 201.A O no hydrogen 2.945 N/A THR 206.A N LYS 202.A O no hydrogen 3.454 N/A THR 206.A OG1 LYS 202.A O no hydrogen 3.057 N/A LEU 207.A N GLU 203.A O no hydrogen 3.026 N/A SER 208.A N LEU 204.A O no hydrogen 2.894 N/A SER 208.A OG LEU 204.A O no hydrogen 3.303 N/A HIS 210.A N THR 206.A O no hydrogen 3.524 N/A HIS 210.A NE2 ASN 45.A O no hydrogen 2.771 N/A ILE 211.A N LEU 207.A O no hydrogen 3.218 N/A ILE 211.A N SER 208.A O no hydrogen 3.144 N/A PHE 212.A N SER 208.A O no hydrogen 2.653 N/A MET 213.A N ARG 209.A O no hydrogen 2.562 N/A ASN 218.A N SER 215.A O no hydrogen 2.806 N/A VAL 219.A N PRO 216.A O no hydrogen 3.316 N/A ILE 220.A N ILE 277.A O no hydrogen 2.742 N/A SER 222.A OG PRO 223.A O no hydrogen 3.231 N/A THR 231.A OG1 ASP 375.A OD2 no hydrogen 3.422 N/A PHE 232.A N ASP 375.A O no hydrogen 3.207 N/A LEU 234.A N LYS 377.A O no hydrogen 3.375 N/A LYS 236.A N ASP 502.A OD1 no hydrogen 2.745 N/A LYS 236.A NZ LYS 379.A O no hydrogen 3.540 N/A LYS 236.A NZ ASP 502.A O no hydrogen 3.115 N/A LYS 236.A NZ ASP 502.A OD2 no hydrogen 3.283 N/A LYS 236.A NZ ILE 505.A O no hydrogen 3.018 N/A ASP 238.A N PRO 235.A O no hydrogen 2.746 N/A ILE 239.A N LYS 236.A O no hydrogen 3.038 N/A GLU 245.A N ASP 243.A OD1 no hydrogen 3.323 N/A LEU 247.A N LEU 244.A O no hydrogen 2.888 N/A TYR 248.A N PHE 365.A O no hydrogen 2.781 N/A VAL 250.A N ILE 363.A O no hydrogen 3.064 N/A LYS 252.A N GLY 361.A O no hydrogen 3.154 N/A THR 253.A N GLU 292.A OE1 no hydrogen 3.041 N/A THR 253.A OG1 GLU 292.A OE1 no hydrogen 2.467 N/A ILE 258.A N GLY 291.A O no hydrogen 2.836 N/A THR 259.A N TYR 270.A O no hydrogen 3.295 N/A ILE 260.A N VAL 289.A O no hydrogen 2.816 N/A ARG 261.A N TYR 268.A O no hydrogen 2.802 N/A ARG 261.A NE GLU 286.A OE1 no hydrogen 2.984 N/A ARG 261.A NH1 GLU 308.A OE2 no hydrogen 3.269 N/A ARG 261.A NH2 GLU 286.A OE1 no hydrogen 3.082 N/A ARG 261.A NH2 GLU 308.A OE2 no hydrogen 2.949 N/A VAL 262.A N VAL 287.A O no hydrogen 2.675 N/A THR 263.A N GLY 266.A O no hydrogen 3.108 N/A LEU 267.A N TYR 280.A O no hydrogen 2.552 N/A TYR 268.A N ARG 261.A O no hydrogen 3.095 N/A TYR 268.A OH ASN 265.A O no hydrogen 3.402 N/A CYS 269.A N ILE 278.A O no hydrogen 3.154 N/A CYS 269.A SG LEU 267.A O no hydrogen 3.303 N/A CYS 269.A SG ILE 278.A O no hydrogen 3.516 N/A TYR 270.A N THR 259.A O no hydrogen 2.776 N/A PHE 271.A N TYR 276.A O no hydrogen 3.412 N/A THR 272.A OG1 PRO 257.A O no hydrogen 2.626 N/A HIS 273.A N HIS 273.A ND1 no hydrogen 2.939 N/A GLY 275.A N PHE 271.A O no hydrogen 3.001 N/A TYR 276.A OH PHE 212.A O no hydrogen 2.900 N/A ILE 277.A N ILE 220.A O no hydrogen 2.794 N/A ILE 278.A N CYS 269.A O no hydrogen 3.127 N/A ARG 279.A N ASN 218.A O no hydrogen 2.617 N/A ARG 279.A NH1 ASN 218.A OD1 no hydrogen 2.455 N/A TYR 280.A N LEU 267.A O no hydrogen 2.951 N/A VAL 287.A N VAL 262.A O no hydrogen 3.389 N/A VAL 288.A N ILE 307.A O no hydrogen 3.377 N/A PHE 290.A N LYS 305.A O no hydrogen 3.044 N/A GLY 291.A N ILE 258.A O no hydrogen 3.026 N/A GLU 292.A N TYR 302.A O no hydrogen 3.032 N/A ALA 293.A N ILE 256.A O no hydrogen 2.865 N/A VAL 294.A N THR 300.A O no hydrogen 2.822 N/A LYS 295.A N GLU 449.A O no hydrogen 2.981 N/A ASP 296.A N ASN 298.A O no hydrogen 2.695 N/A ASN 298.A N ASP 296.A O no hydrogen 2.495 N/A TRP 299.A N ARG 329.A O no hydrogen 2.687 N/A THR 300.A N VAL 294.A O no hydrogen 2.649 N/A VAL 301.A N VAL 331.A O no hydrogen 2.940 N/A TYR 302.A N GLU 292.A O no hydrogen 2.645 N/A LEU 303.A N LYS 333.A O no hydrogen 2.952 N/A ILE 304.A N PHE 290.A O no hydrogen 3.081 N/A LYS 305.A N PHE 290.A O no hydrogen 3.271 N/A ILE 307.A N VAL 288.A O no hydrogen 3.085 N/A ARG 312.A N SER 367.A O no hydrogen 3.129 N/A ARG 312.A NH1 ASP 375.A OD1 no hydrogen 2.883 N/A ARG 312.A NH2 ASP 375.A OD1 no hydrogen 3.377 N/A GLU 314.A N ASP 311.A OD2 no hydrogen 2.533 N/A GLU 315.A N ASP 311.A O no hydrogen 3.024 N/A SER 316.A N LEU 313.A O no hydrogen 3.024 N/A LYS 317.A N LEU 313.A O no hydrogen 3.241 N/A TYR 318.A N GLU 314.A O no hydrogen 3.077 N/A VAL 319.A N GLU 315.A O no hydrogen 3.032 N/A GLU 320.A N SER 316.A O no hydrogen 2.993 N/A SER 321.A N LYS 317.A O no hydrogen 3.149 N/A SER 321.A OG LYS 317.A O no hydrogen 3.468 N/A SER 321.A OG TYR 318.A O no hydrogen 2.945 N/A LYS 322.A N TYR 318.A O no hydrogen 3.120 N/A LYS 322.A NZ ASP 284.A OD2 no hydrogen 3.194 N/A LEU 323.A N VAL 319.A O no hydrogen 2.883 N/A LEU 323.A N GLU 320.A O no hydrogen 3.104 N/A CYS 327.A SG PRO 281.A O no hydrogen 3.600 N/A VAL 331.A N TRP 299.A O no hydrogen 3.258 N/A LYS 333.A N VAL 301.A O no hydrogen 3.047 N/A SER 334.A N GLU 320.A OE1 no hydrogen 2.588 N/A SER 334.A OG GLU 320.A OE1 no hydrogen 2.867 N/A LYS 335.A NZ THR 251.A O no hydrogen 2.868 N/A LYS 335.A NZ GLU 292.A OE1 no hydrogen 3.075 N/A LYS 335.A NZ GLU 292.A OE2 no hydrogen 3.452 N/A GLU 338.A N ALA 249.A O no hydrogen 3.103 N/A THR 342.A N GLU 346.A OE1 no hydrogen 3.067 N/A THR 344.A OG1 VAL 240.A O no hydrogen 3.440 N/A SER 345.A OG THR 343.A OG1 no hydrogen 3.172 N/A GLU 346.A N THR 343.A O no hydrogen 3.241 N/A GLU 346.A N THR 343.A OG1 no hydrogen 3.127 N/A VAL 348.A N THR 344.A O no hydrogen 2.806 N/A ASP 349.A N SER 345.A O no hydrogen 2.722 N/A MET 350.A N GLU 346.A O no hydrogen 2.736 N/A LEU 351.A N VAL 347.A O no hydrogen 2.701 N/A SER 352.A N VAL 348.A O no hydrogen 2.936 N/A SER 352.A OG VAL 348.A O no hydrogen 3.301 N/A SER 352.A OG ASP 349.A O no hydrogen 2.627 N/A THR 353.A N ASP 349.A O no hydrogen 3.047 N/A THR 353.A N MET 350.A O no hydrogen 3.108 N/A THR 353.A OG1 ASP 349.A O no hydrogen 2.717 N/A TYR 354.A N MET 350.A O no hydrogen 3.209 N/A TYR 354.A OH GLU 338.A OE2 no hydrogen 2.692 N/A LEU 355.A N LEU 351.A O no hydrogen 3.122 N/A LYS 357.A N TYR 354.A O no hydrogen 2.773 N/A GLN 358.A N TYR 354.A O no hydrogen 3.034 N/A VAL 362.A N ILE 378.A O no hydrogen 3.186 N/A ILE 363.A N VAL 250.A O no hydrogen 2.897 N/A LEU 364.A N PHE 376.A O no hydrogen 2.811 N/A PHE 365.A N TYR 248.A O no hydrogen 2.858 N/A TYR 366.A OH ASP 243.A O no hydrogen 2.678 N/A SER 367.A N ASN 246.A O no hydrogen 3.166 N/A SER 372.A N GLY 369.A O no hydrogen 2.991 N/A SER 372.A OG GLY 369.A O no hydrogen 2.834 N/A ASP 375.A N LYS 230.A O no hydrogen 3.253 N/A PHE 376.A N LEU 364.A O no hydrogen 2.895 N/A LYS 377.A N PHE 232.A O no hydrogen 2.949 N/A ILE 378.A N VAL 362.A O no hydrogen 3.163 N/A ASN 382.A N GLN 503.A OE1 no hydrogen 3.025 N/A ASN 382.A ND2 HIS 499.A O no hydrogen 3.233 N/A ASN 382.A ND2 ASP 502.A OD2 no hydrogen 3.493 N/A THR 383.A OG1 GLU 464.A OE2 no hydrogen 3.473 N/A THR 383.A OG1 PHE 465.A O no hydrogen 3.513 N/A ILE 384.A N PHE 465.A O no hydrogen 2.927 N/A GLN 386.A N ALA 463.A O no hydrogen 3.095 N/A THR 387.A N PHE 411.A O no hydrogen 3.094 N/A ALA 388.A N PHE 461.A O no hydrogen 2.770 N/A ASN 389.A N LYS 409.A O no hydrogen 3.031 N/A ASN 389.A ND2 ILE 172.A O no hydrogen 2.957 N/A ASN 389.A ND2 VAL 390.A O no hydrogen 2.994 N/A VAL 390.A N ILE 459.A O no hydrogen 3.129 N/A VAL 391.A N GLU 407.A O no hydrogen 2.714 N/A PHE 392.A N ASN 173.A OD1 no hydrogen 2.874 N/A GLU 395.A N SER 393.A OG no hydrogen 3.187 N/A ILE 398.A N PHE 405.A O no hydrogen 2.857 N/A GLY 400.A N SER 403.A O no hydrogen 2.923 N/A PHE 405.A N ILE 398.A O no hydrogen 3.082 N/A VAL 406.A N ILE 426.A O no hydrogen 3.066 N/A TYR 408.A N GLY 424.A O no hydrogen 3.105 N/A LYS 409.A N ASN 389.A O no hydrogen 2.888 N/A LYS 410.A N GLY 422.A O no hydrogen 2.608 N/A LYS 410.A NZ GLY 469.A O no hydrogen 3.497 N/A PHE 411.A N THR 387.A O no hydrogen 2.750 N/A SER 412.A N LYS 419.A O no hydrogen 3.248 N/A SER 412.A OG PHE 411.A O no hydrogen 2.978 N/A SER 412.A OG ASN 491.A O no hydrogen 3.559 N/A ASN 413.A ND2 ASP 487.A O no hydrogen 3.097 N/A ASP 414.A N PHE 417.A O no hydrogen 2.951 N/A GLY 416.A N ASN 413.A OD1 no hydrogen 3.035 N/A LYS 419.A N SER 412.A O no hydrogen 2.869 N/A TYR 421.A N LYS 410.A O no hydrogen 3.043 N/A GLY 424.A N TYR 408.A O no hydrogen 2.945 N/A ILE 426.A N VAL 406.A O no hydrogen 2.800 N/A LEU 428.A N ILE 404.A O no hydrogen 2.891 N/A TYR 429.A N VAL 432.A O no hydrogen 2.684 N/A ASN 433.A N GLU 442.A O no hydrogen 2.935 N/A ASN 433.A ND2 GLU 442.A OE1 no hydrogen 3.161 N/A LEU 435.A N CYS 440.A O no hydrogen 2.740 N/A ASN 437.A ND2 GLN 53.A O no hydrogen 3.556 N/A ILE 438.A N LEU 435.A O no hydrogen 3.393 N/A CYS 440.A SG ILE 438.A O no hydrogen 3.629 N/A CYS 440.A SG TYR 439.A O no hydrogen 3.241 N/A LEU 441.A N VAL 457.A O no hydrogen 2.702 N/A GLU 442.A N ASN 433.A O no hydrogen 2.683 N/A TYR 443.A N VAL 455.A O no hydrogen 2.896 N/A ILE 444.A N GLY 431.A O no hydrogen 2.812 N/A ASN 445.A N LYS 453.A O no hydrogen 2.843 N/A THR 446.A OG1 HIS 447.A ND1 no hydrogen 2.677 N/A HIS 447.A ND1 THR 446.A OG1 no hydrogen 2.677 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 3.152 N/A VAL 450.A N HIS 447.A O no hydrogen 2.950 N/A GLY 451.A N HIS 447.A O no hydrogen 3.175 N/A GLY 451.A N ASN 448.A O no hydrogen 3.105 N/A VAL 455.A N TYR 443.A O no hydrogen 2.957 N/A VAL 456.A N THR 44.A OG1 no hydrogen 2.717 N/A VAL 457.A N LEU 441.A O no hydrogen 2.864 N/A LYS 460.A NZ ALA 171.A O no hydrogen 2.980 N/A LYS 460.A NZ ILE 172.A O no hydrogen 2.528 N/A LYS 460.A NZ HIS 174.A O no hydrogen 2.745 N/A LYS 460.A NZ SER 177.A O no hydrogen 3.441 N/A LYS 460.A NZ ASN 389.A OD1 no hydrogen 2.948 N/A PHE 461.A N ALA 388.A O no hydrogen 3.072 N/A ALA 463.A N GLN 386.A O no hydrogen 2.948 N/A GLU 464.A N LYS 473.A O no hydrogen 2.710 N/A PHE 465.A N ILE 384.A O no hydrogen 2.583 N/A LEU 466.A N GLU 470.A O no hydrogen 2.650 N/A ASN 468.A ND2 GLU 470.A OE2 no hydrogen 3.218 N/A GLY 469.A N LEU 466.A O no hydrogen 2.712 N/A LEU 472.A N GLU 464.A O no hydrogen 2.792 N/A ARG 475.A N ILE 462.A O no hydrogen 3.012 N/A ARG 475.A NE GLU 464.A OE1 no hydrogen 2.892 N/A ARG 475.A NH2 GLU 464.A OE1 no hydrogen 2.921 N/A LYS 478.A NZ ASP 385.A OD2 no hydrogen 2.990 N/A THR 479.A N ARG 475.A O no hydrogen 3.098 N/A THR 479.A OG1 ILE 462.A O no hydrogen 3.323 N/A THR 479.A OG1 ARG 475.A O no hydrogen 2.419 N/A MET 480.A N ILE 476.A O no hydrogen 2.819 N/A LYS 481.A N ASP 477.A O no hydrogen 2.909 N/A TYR 482.A N LYS 478.A O no hydrogen 2.738 N/A TYR 482.A OH PRO 175.A O no hydrogen 2.579 N/A ILE 483.A N THR 479.A O no hydrogen 2.967 N/A ASN 484.A N MET 480.A O no hydrogen 3.176 N/A ASN 484.A N LYS 481.A O no hydrogen 3.325 N/A SER 485.A N LYS 481.A O no hydrogen 2.901 N/A ASP 487.A N SER 485.A OG no hydrogen 3.154 N/A TYR 488.A N SER 485.A OG no hydrogen 3.422 N/A ASN 491.A N ASP 385.A O no hydrogen 2.771 N/A ASN 494.A ND2 PHE 513.A O no hydrogen 3.483 N/A ILE 495.A N GLN 492.A O no hydrogen 3.067 N/A ILE 496.A N GLN 492.A O no hydrogen 3.115 N/A VAL 497.A N HIS 493.A O no hydrogen 3.017 N/A HIS 499.A N ILE 495.A O no hydrogen 3.139 N/A HIS 499.A ND1 ILE 495.A O no hydrogen 2.636 N/A LEU 500.A N ILE 496.A O no hydrogen 3.064 N/A ARG 501.A N GLU 498.A O no hydrogen 3.167 N/A ASP 502.A N GLU 498.A O no hydrogen 3.089 N/A GLN 503.A NE2 LYS 380.A O no hydrogen 3.177 N/A SER 504.A N ARG 501.A O no hydrogen 3.205 N/A SER 504.A OG ARG 501.A O no hydrogen 3.429 N/A ILE 505.A N ASP 502.A O no hydrogen 3.056 N/A ASP 509.A N LYS 506.A O no hydrogen 3.088 N/A ASN 516.A ND2 THR 720.A O no hydrogen 2.625 N/A ILE 525.A N GLY 521.A O no hydrogen 3.112 N/A LEU 526.A N PRO 522.A O no hydrogen 3.335 N/A SER 527.A N LEU 523.A O no hydrogen 2.954 N/A SER 527.A OG LEU 523.A O no hydrogen 2.508 N/A ASN 528.A N GLY 524.A O no hydrogen 2.948 N/A ASN 528.A ND2 GLY 524.A O no hydrogen 3.038 N/A TYR 529.A N ILE 525.A O no hydrogen 3.286 N/A TYR 529.A OH SER 753.A OG no hydrogen 2.932 N/A VAL 530.A N LEU 526.A O no hydrogen 3.098 N/A LYS 531.A N SER 527.A O no hydrogen 3.095 N/A LYS 531.A NZ ASP 562.A OD1 no hydrogen 2.888 N/A LYS 531.A NZ ASP 562.A OD2 no hydrogen 3.430 N/A THR 532.A N ASN 528.A O no hydrogen 2.716 N/A THR 532.A OG1 ASN 528.A O no hydrogen 2.773 N/A LEU 533.A N TYR 529.A O no hydrogen 3.093 N/A LEU 534.A N VAL 530.A O no hydrogen 2.771 N/A ILE 535.A N LYS 531.A O no hydrogen 2.971 N/A SER 536.A N THR 532.A O no hydrogen 2.944 N/A SER 536.A OG THR 532.A O no hydrogen 2.685 N/A SER 536.A OG LEU 533.A O no hydrogen 3.432 N/A MET 537.A N LEU 533.A O no hydrogen 3.329 N/A TYR 538.A OH ASP 742.A OD2 no hydrogen 2.890 N/A CYS 539.A SG ILE 535.A O no hydrogen 3.319 N/A LYS 541.A NZ GLU 570.A OE1 no hydrogen 3.080 N/A THR 542.A N SER 540.A OG no hydrogen 3.396 N/A PHE 543.A N SER 540.A OG no hydrogen 3.182 N/A ASN 548.A N ASP 546.A OD1 no hydrogen 3.182 N/A ASN 548.A ND2 ASP 546.A OD1 no hydrogen 2.658 N/A ARG 550.A NE ASN 548.A O no hydrogen 2.965 N/A ARG 550.A NH2 SER 540.A O no hydrogen 2.989 N/A ARG 550.A NH2 ASP 546.A O no hydrogen 2.385 N/A LYS 551.A N ASN 631.A OD1 no hydrogen 2.772 N/A VAL 552.A N LEU 573.A O no hydrogen 2.981 N/A LEU 553.A N ILE 632.A O no hydrogen 3.038 N/A ALA 554.A N VAL 575.A O no hydrogen 2.761 N/A ILE 555.A N ASP 634.A O no hydrogen 2.639 N/A PHE 557.A N THR 577.A O no hydrogen 2.813 N/A GLY 558.A N ASP 578.A OD2 no hydrogen 3.129 N/A LEU 563.A N GLY 560.A O no hydrogen 3.135 N/A LYS 565.A NZ ASN 528.A OD1 no hydrogen 3.022 N/A LYS 565.A NZ ALA 561.A O no hydrogen 3.490 N/A TYR 566.A N ASP 562.A O no hydrogen 3.172 N/A TYR 566.A OH ASP 634.A OD2 no hydrogen 2.935 N/A PHE 567.A N LEU 563.A O no hydrogen 3.095 N/A PHE 567.A N GLU 564.A O no hydrogen 3.194 N/A TYR 568.A N GLU 564.A O no hydrogen 3.270 N/A GLU 570.A N PHE 567.A O no hydrogen 3.100 N/A ALA 572.A N ARG 550.A O no hydrogen 2.733 N/A LEU 574.A N LYS 604.A O no hydrogen 2.779 N/A VAL 575.A N VAL 552.A O no hydrogen 2.983 N/A ALA 576.A N ASP 606.A O no hydrogen 2.795 N/A THR 577.A N ALA 554.A O no hydrogen 2.767 N/A ASP 578.A N ILE 608.A O no hydrogen 3.296 N/A ASP 582.A N ASP 580.A OD1 no hydrogen 2.886 N/A ALA 583.A N ASP 580.A O no hydrogen 3.273 N/A ALA 585.A N ALA 581.A O no hydrogen 3.250 N/A ARG 586.A N ASP 582.A O no hydrogen 3.319 N/A ARG 586.A NH1 ASN 559.A OD1 no hydrogen 2.507 N/A GLY 587.A N ALA 583.A O no hydrogen 3.056 N/A ASN 588.A N ILE 584.A O no hydrogen 2.839 N/A GLU 589.A N ALA 585.A O no hydrogen 3.076 N/A ARG 590.A N ARG 586.A O no hydrogen 2.898 N/A TYR 591.A N GLY 587.A O no hydrogen 2.866 N/A TYR 591.A OH TYR 603.A O no hydrogen 2.667 N/A ASN 592.A N ASN 588.A O no hydrogen 3.221 N/A LYS 593.A N GLU 589.A O no hydrogen 3.219 N/A LEU 594.A N ARG 590.A O no hydrogen 2.642 N/A ASN 595.A N TYR 591.A O no hydrogen 3.012 N/A SER 596.A OG LYS 593.A O no hydrogen 2.663 N/A THR 600.A OG1 LYS 599.A O no hydrogen 2.471 N/A TYR 603.A OH LEU 563.A O no hydrogen 3.204 N/A LYS 604.A NZ ASP 606.A OD2 no hydrogen 3.500 N/A ASP 606.A N LEU 574.A O no hydrogen 3.156 N/A TYR 607.A OH GLY 558.A O no hydrogen 2.626 N/A ILE 608.A N ALA 576.A O no hydrogen 2.881 N/A GLN 609.A NE2 PRO 579.A O no hydrogen 3.017 N/A GLU 610.A N ASP 578.A O no hydrogen 3.154 N/A ARG 613.A NE SER 642.A OG no hydrogen 2.808 N/A SER 614.A N THR 611.A O no hydrogen 3.179 N/A SER 614.A OG THR 616.A OG1 no hydrogen 2.300 N/A THR 616.A OG1 GLU 610.A OE1 no hydrogen 3.321 N/A THR 616.A OG1 GLU 610.A OE2 no hydrogen 2.998 N/A THR 616.A OG1 SER 614.A OG no hydrogen 2.300 N/A SER 619.A OG THR 616.A O no hydrogen 2.872 N/A SER 620.A N THR 616.A O no hydrogen 2.907 N/A SER 620.A OG GLU 610.A OE2 no hydrogen 2.553 N/A SER 620.A OG THR 616.A O no hydrogen 3.557 N/A VAL 621.A N PHE 617.A O no hydrogen 2.807 N/A ARG 622.A N VAL 618.A O no hydrogen 2.850 N/A ARG 622.A NH2 GLY 628.A O no hydrogen 2.672 N/A GLU 623.A N SER 620.A O no hydrogen 3.355 N/A VAL 624.A N VAL 621.A O no hydrogen 3.021 N/A PHE 630.A N LEU 658.A O no hydrogen 2.810 N/A ASN 631.A N LYS 551.A O no hydrogen 3.121 N/A ILE 632.A N LYS 551.A O no hydrogen 3.354 N/A ILE 633.A N LYS 664.A O no hydrogen 2.913 N/A ASP 634.A N LEU 553.A O no hydrogen 2.671 N/A TRP 635.A N LEU 666.A O no hydrogen 3.302 N/A GLN 636.A NE2 ASP 634.A OD2 no hydrogen 3.292 N/A PHE 637.A N THR 668.A O no hydrogen 2.910 N/A PHE 637.A N THR 668.A OG1 no hydrogen 3.200 N/A HIS 640.A ND1 THR 669.A OG1 no hydrogen 3.234 N/A TYR 641.A N ALA 638.A O no hydrogen 2.852 N/A SER 642.A N ILE 639.A O no hydrogen 3.126 N/A PHE 643.A N ILE 639.A O no hydrogen 2.916 N/A ARG 646.A N HIS 644.A ND1 no hydrogen 3.487 N/A HIS 647.A N HIS 644.A O no hydrogen 2.573 N/A TYR 648.A N HIS 644.A O no hydrogen 3.303 N/A THR 650.A OG1 ASP 615.A OD1 no hydrogen 3.210 N/A VAL 651.A N HIS 647.A O no hydrogen 2.932 N/A MET 652.A N TYR 648.A O no hydrogen 2.941 N/A ASN 653.A N ALA 649.A O no hydrogen 3.250 N/A ASN 654.A N THR 650.A O no hydrogen 3.072 N/A ASN 654.A ND2 ILE 612.A O no hydrogen 3.169 N/A ASN 654.A ND2 SER 614.A O no hydrogen 3.429 N/A LEU 655.A N VAL 651.A O no hydrogen 3.047 N/A SER 656.A N MET 652.A O no hydrogen 2.898 N/A GLU 657.A N ASN 653.A O no hydrogen 2.790 N/A LEU 658.A N ASN 654.A O no hydrogen 3.008 N/A LEU 658.A N LEU 655.A O no hydrogen 3.069 N/A THR 659.A N LEU 655.A O no hydrogen 2.648 N/A THR 659.A OG1 LEU 655.A O no hydrogen 2.889 N/A ALA 660.A N PHE 630.A O no hydrogen 2.617 N/A SER 661.A OG ARG 802.A O no hydrogen 3.319 N/A GLY 662.A N LYS 801.A O no hydrogen 2.893 N/A GLY 663.A N ALA 660.A O no hydrogen 2.704 N/A LYS 664.A N ASN 631.A O no hydrogen 2.961 N/A LYS 664.A NZ SER 800.A OG no hydrogen 2.758 N/A VAL 665.A N PHE 799.A O no hydrogen 2.708 N/A LEU 666.A N ILE 633.A O no hydrogen 2.756 N/A ILE 667.A N TYR 797.A O no hydrogen 2.785 N/A THR 668.A OG1 GLN 636.A OE1 no hydrogen 2.477 N/A THR 669.A N VAL 795.A O no hydrogen 2.928 N/A THR 669.A OG1 HIS 640.A ND1 no hydrogen 3.234 N/A MET 670.A N THR 669.A OG1 no hydrogen 2.624 N/A ASP 671.A N TYR 793.A O no hydrogen 2.531 N/A LYS 674.A N ASP 671.A OD1 no hydrogen 3.460 N/A LYS 674.A NZ SER 792.A OG no hydrogen 3.080 N/A LEU 675.A N ASP 671.A O no hydrogen 3.122 N/A SER 676.A N GLY 672.A O no hydrogen 2.931 N/A SER 676.A OG ASP 673.A O no hydrogen 3.009 N/A LEU 678.A N LEU 675.A O no hydrogen 2.863 N/A LYS 682.A N VAL 699.A O no hydrogen 2.913 N/A PHE 684.A N MET 697.A O no hydrogen 2.769 N/A ILE 686.A N ASN 695.A O no hydrogen 3.142 N/A GLU 694.A N PRO 691.A O no hydrogen 3.345 N/A MET 697.A N PHE 684.A O no hydrogen 2.726 N/A SER 698.A N TYR 710.A O no hydrogen 2.946 N/A SER 698.A OG TYR 710.A O no hydrogen 3.540 N/A VAL 699.A N LYS 682.A O no hydrogen 2.941 N/A GLU 700.A N VAL 708.A O no hydrogen 3.142 N/A LYS 701.A NZ SER 676.A O no hydrogen 2.555 N/A ILE 702.A N ARG 706.A O no hydrogen 3.106 N/A ARG 706.A NH1 ASN 494.A OD1 no hydrogen 2.537 N/A ARG 706.A NH2 ASN 494.A OD1 no hydrogen 2.992 N/A ILE 707.A N GLU 721.A O no hydrogen 2.890 N/A VAL 708.A N GLU 700.A O no hydrogen 2.796 N/A VAL 709.A N MET 719.A O no hydrogen 2.752 N/A TYR 710.A N SER 698.A O no hydrogen 3.173 N/A SER 713.A OG ASN 711.A OD1 no hydrogen 2.792 N/A THR 714.A N ASN 711.A O no hydrogen 2.807 N/A THR 714.A OG1 ASN 711.A O no hydrogen 3.474 N/A MET 719.A N VAL 709.A O no hydrogen 2.671 N/A THR 720.A N ASN 516.A OD1 no hydrogen 2.552 N/A GLU 721.A N ILE 707.A O no hydrogen 3.131 N/A TYR 722.A N HIS 640.A O no hydrogen 2.880 N/A ILE 723.A N ASP 705.A O no hydrogen 3.057 N/A LYS 726.A N ASP 673.A OD2 no hydrogen 3.190 N/A LYS 726.A NZ ASN 743.A OD1 no hydrogen 3.407 N/A ILE 729.A N LYS 725.A O no hydrogen 3.242 N/A VAL 730.A N LYS 726.A O no hydrogen 3.018 N/A ARG 731.A N ASN 727.A O no hydrogen 2.854 N/A ARG 731.A NH1 ASP 728.A OD1 no hydrogen 3.355 N/A VAL 732.A N ASP 728.A O no hydrogen 2.986 N/A PHE 733.A N ILE 729.A O no hydrogen 3.351 N/A ASN 734.A N VAL 730.A O no hydrogen 2.966 N/A GLU 735.A N ARG 731.A O no hydrogen 3.070 N/A GLY 737.A N ASN 734.A O no hydrogen 2.961 N/A PHE 738.A N PHE 733.A O no hydrogen 2.778 N/A VAL 739.A N SER 800.A O no hydrogen 2.942 N/A VAL 741.A N VAL 798.A O no hydrogen 2.793 N/A ASN 743.A ND2 VAL 796.A O no hydrogen 2.946 N/A PHE 746.A N TYR 794.A O no hydrogen 3.049 N/A ALA 747.A N LEU 791.A O no hydrogen 3.088 N/A THR 748.A N ASP 745.A OD2 no hydrogen 3.068 N/A THR 748.A OG1 ASP 745.A OD1 no hydrogen 3.388 N/A THR 748.A OG1 ASP 745.A OD2 no hydrogen 2.801 N/A ILE 749.A N ASP 745.A O no hydrogen 3.405 N/A ILE 750.A N PHE 746.A O no hydrogen 2.977 N/A GLU 751.A N ALA 747.A O no hydrogen 3.110 N/A ARG 752.A N THR 748.A O no hydrogen 2.922 N/A ARG 752.A N ILE 749.A O no hydrogen 3.163 N/A SER 753.A N ILE 750.A O no hydrogen 3.137 N/A SER 753.A OG TYR 529.A OH no hydrogen 2.932 N/A SER 753.A OG ILE 749.A O no hydrogen 3.440 N/A LYS 754.A NZ GLU 751.A OE1 no hydrogen 2.945 N/A LYS 754.A NZ GLU 788.A OE2 no hydrogen 3.563 N/A ILE 757.A N SER 753.A O no hydrogen 2.704 N/A ASN 758.A N LYS 754.A O no hydrogen 3.065 N/A GLY 759.A N PHE 756.A O no hydrogen 3.239 N/A SER 761.A N PHE 756.A O no hydrogen 3.304 N/A SER 761.A OG ILE 757.A O no hydrogen 2.864 N/A THR 762.A N GLY 759.A O no hydrogen 3.392 N/A THR 762.A OG1 GLY 759.A O no hydrogen 2.553 N/A MET 763.A N ALA 760.A O no hydrogen 3.075 N/A GLU 764.A N SER 761.A O no hydrogen 3.021 N/A ARG 766.A N GLU 764.A OE1 no hydrogen 3.056 N/A THR 769.A OG1 GLU 764.A OE2 no hydrogen 3.399 N/A ARG 770.A N ARG 766.A O no hydrogen 2.931 N/A ARG 770.A NH1 THR 762.A O no hydrogen 3.451 N/A ARG 770.A NH2 ASP 765.A O no hydrogen 3.414 N/A ASN 771.A N PRO 767.A O no hydrogen 2.839 N/A PHE 772.A N SER 768.A O no hydrogen 3.054 N/A PHE 773.A N THR 769.A O no hydrogen 2.968 N/A PHE 773.A N ARG 770.A O no hydrogen 3.145 N/A GLU 774.A N ARG 770.A O no hydrogen 2.901 N/A LEU 775.A N ASN 771.A O no hydrogen 2.918 N/A ASN 776.A N PHE 772.A O no hydrogen 3.395 N/A ASN 776.A ND2 PHE 772.A O no hydrogen 2.557 N/A ARG 777.A N PHE 773.A O no hydrogen 2.682 N/A ARG 777.A NH1 ILE 757.A O no hydrogen 2.804 N/A GLY 778.A N GLU 774.A O no hydrogen 3.142 N/A GLY 778.A N LEU 775.A O no hydrogen 3.096 N/A ALA 779.A N LEU 775.A O no hydrogen 3.101 N/A ILE 780.A N ASN 776.A O no hydrogen 3.058 N/A LYS 781.A N ARG 777.A O no hydrogen 3.447 N/A ASP 786.A N ILE 685.A O no hydrogen 3.093 N/A LEU 790.A N ASP 786.A O no hydrogen 3.172 N/A LEU 791.A N VAL 787.A O no hydrogen 2.982 N/A SER 792.A N ASP 789.A O no hydrogen 3.180 N/A SER 792.A OG ASP 789.A O no hydrogen 2.411 N/A TYR 793.A N LEU 790.A O no hydrogen 2.927 N/A TYR 794.A N LEU 791.A O no hydrogen 3.403 N/A VAL 795.A N THR 669.A O no hydrogen 2.662 N/A VAL 796.A N VAL 744.A O no hydrogen 2.875 N/A TYR 797.A N ILE 667.A O no hydrogen 2.833 N/A VAL 798.A N ASP 742.A O no hydrogen 2.946 N/A PHE 799.A N VAL 665.A O no hydrogen 3.124 N/A SER 800.A N VAL 739.A O no hydrogen 2.693 N/A SER 800.A OG GLY 663.A O no hydrogen 3.561 N/A LYS 801.A N GLY 663.A O no hydrogen 2.987 N/A LYS 801.A NZ SER 656.A OG no hydrogen 2.977 N/A LYS 801.A NZ TYR 736.A O no hydrogen 3.343 N/A ARG 802.A N GLY 737.A O no hydrogen 2.690 N/A