Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xct_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ILE 38.A O no hydrogen 3.393 N/A CYS 5.A SG ASP 4.A OD1 no hydrogen 3.008 N/A CYS 5.A SG SER 7.A O no hydrogen 3.943 N/A SER 6.A N SER 33.A O no hydrogen 3.276 N/A SER 7.A OG GLU 12.A OE2 no hydrogen 2.936 N/A GLU 12.A N SER 9.A O no hydrogen 3.237 N/A CYS 13.A N PRO 10.A O no hydrogen 2.753 N/A CYS 13.A SG SER 7.A OG no hydrogen 3.383 N/A CYS 13.A SG SER 9.A O no hydrogen 3.041 N/A GLU 14.A N THR 35.A O no hydrogen 3.019 N/A PHE 16.A N ALA 37.A O no hydrogen 2.764 N/A LEU 17.A N VAL 88.A O no hydrogen 2.805 N/A VAL 18.A N LEU 39.A O no hydrogen 3.223 N/A GLY 25.A N ASP 21.A O no hydrogen 2.845 N/A SER 26.A N SER 22.A O no hydrogen 2.957 N/A SER 26.A OG MET 136.A O no hydrogen 3.381 N/A THR 27.A N ALA 23.A O no hydrogen 2.903 N/A THR 27.A OG1 ALA 23.A O no hydrogen 2.830 N/A LYS 28.A N GLY 24.A O no hydrogen 2.790 N/A SER 29.A N SER 26.A O no hydrogen 3.003 N/A GLY 30.A N SER 26.A O no hydrogen 2.877 N/A ASP 32.A N GLN 36.A OE1 no hydrogen 2.534 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 3.301 N/A THR 35.A N ASP 32.A O no hydrogen 3.225 N/A GLN 36.A N ASP 32.A O no hydrogen 2.710 N/A GLN 36.A NE2 MET 146.A O no hydrogen 2.860 N/A ALA 37.A N GLU 14.A O no hydrogen 3.362 N/A LEU 39.A N PHE 16.A O no hydrogen 2.483 N/A LEU 41.A N VAL 18.A O no hydrogen 3.059 N/A LYS 50.A N ASN 47.A OD1 no hydrogen 3.009 N/A ALA 51.A N ASN 47.A O no hydrogen 2.904 N/A ARG 55.A N ARG 52.A O no hydrogen 2.984 N/A ILE 56.A N ARG 52.A O no hydrogen 3.122 N/A LEU 57.A N LEU 53.A O no hydrogen 2.958 N/A ASN 59.A N ILE 56.A O no hydrogen 2.943 N/A GLN 64.A N ASN 60.A O no hydrogen 2.651 N/A ILE 66.A N ILE 62.A O no hydrogen 2.726 N/A THR 67.A N ARG 63.A O no hydrogen 2.953 N/A THR 67.A OG1 ARG 63.A O no hydrogen 2.812 N/A ALA 68.A N GLN 64.A O no hydrogen 3.222 N/A PHE 69.A N MET 65.A O no hydrogen 3.057 N/A GLY 70.A N ILE 66.A O no hydrogen 2.883 N/A GLY 72.A N THR 71.A OG1 no hydrogen 2.606 N/A GLY 74.A N PHE 111.A O no hydrogen 2.930 N/A ASP 76.A N ILE 73.A O no hydrogen 3.294 N/A PHE 77.A N GLY 74.A O no hydrogen 3.204 N/A ARG 83.A N PHE 69.A O no hydrogen 2.823 N/A HIS 85.A N CYS 13.A O no hydrogen 2.865 N/A ILE 87.A N TYR 120.A O no hydrogen 2.594 N/A VAL 88.A N ILE 15.A O no hydrogen 2.917 N/A ILE 89.A N TYR 122.A O no hydrogen 3.128 N/A MET 90.A N LEU 17.A O no hydrogen 2.502 N/A THR 91.A OG1 GLY 97.A O no hydrogen 2.734 N/A ASP 92.A N ASP 92.A OD1 no hydrogen 2.220 N/A GLY 97.A N ASP 94.A O no hydrogen 2.736 N/A ALA 98.A N ASP 94.A O no hydrogen 2.989 N/A HIS 99.A N VAL 95.A O no hydrogen 2.821 N/A ILE 100.A N ASP 96.A O no hydrogen 3.257 N/A ARG 101.A N GLY 97.A O no hydrogen 2.867 N/A ARG 101.A NE GLU 195.A OE2 no hydrogen 3.341 N/A THR 102.A N HIS 99.A O no hydrogen 2.844 N/A THR 102.A OG1 HIS 99.A O no hydrogen 2.475 N/A LEU 103.A N ILE 100.A O no hydrogen 2.702 N/A LEU 104.A N ILE 100.A O no hydrogen 3.029 N/A LEU 105.A N ARG 101.A O no hydrogen 3.424 N/A THR 106.A N THR 102.A O no hydrogen 3.433 N/A THR 106.A OG1 THR 102.A O no hydrogen 3.535 N/A PHE 108.A N LEU 104.A O no hydrogen 3.051 N/A TYR 109.A N LEU 105.A O no hydrogen 3.049 N/A TYR 109.A N THR 106.A O no hydrogen 3.129 N/A ARG 110.A N THR 106.A O no hydrogen 3.011 N/A ARG 110.A NH2 GLU 49.A OE1 no hydrogen 2.656 N/A PHE 111.A N PHE 107.A O no hydrogen 2.986 N/A MET 112.A N PHE 108.A O no hydrogen 3.209 N/A ARG 113.A NH1 ASP 165.A OD1 no hydrogen 3.087 N/A ILE 116.A N ARG 113.A O no hydrogen 2.762 N/A GLU 117.A N ARG 113.A O no hydrogen 3.397 N/A ALA 118.A N LEU 115.A O no hydrogen 3.350 N/A GLY 119.A N ILE 116.A O no hydrogen 3.065 N/A TYR 122.A N ILE 87.A O no hydrogen 2.739 N/A ILE 123.A N LEU 154.A O no hydrogen 2.896 N/A ALA 124.A N ILE 89.A O no hydrogen 3.410 N/A GLU 135.A N GLY 132.A O no hydrogen 2.870 N/A ASN 137.A ND2 GLN 140.A OE1 no hydrogen 2.889 N/A GLN 140.A N ASN 137.A O no hydrogen 3.174 N/A TRP 142.A N ALA 138.A O no hydrogen 3.185 N/A GLU 143.A N ASP 139.A O no hydrogen 3.094 N/A THR 144.A OG1 GLN 140.A O no hydrogen 2.884 N/A MET 146.A N TRP 142.A O no hydrogen 3.209 N/A ASN 147.A N TRP 142.A O no hydrogen 2.702 N/A HIS 150.A N ASN 147.A O no hydrogen 3.213 N/A ARG 151.A NH1 GLU 14.A OE2 no hydrogen 2.574 N/A ARG 151.A NH1 MET 146.A O no hydrogen 3.541 N/A ARG 151.A NH2 GLU 14.A OE1 no hydrogen 3.177 N/A LEU 154.A N ILE 123.A O no hydrogen 2.919 N/A VAL 156.A N VAL 121.A O no hydrogen 3.239 N/A LYS 157.A N ARG 190.A O no hydrogen 3.405 N/A THR 167.A N GLU 163.A O no hydrogen 2.871 N/A PHE 168.A N ALA 164.A O no hydrogen 2.877 N/A GLU 169.A N ASP 165.A O no hydrogen 2.828 N/A MET 170.A N GLN 166.A O no hydrogen 2.847 N/A LEU 171.A N THR 167.A O no hydrogen 3.062 N/A MET 172.A N PHE 168.A O no hydrogen 2.963 N/A ARG 179.A N VAL 176.A O no hydrogen 2.966 N/A ARG 179.A NH1 MET 170.A O no hydrogen 3.383 N/A ARG 179.A NH1 VAL 175.A O no hydrogen 3.024 N/A ARG 180.A N VAL 176.A O no hydrogen 2.941 N/A ARG 180.A NE GLU 177.A OE1 no hydrogen 3.532 N/A GLN 181.A N GLU 177.A O no hydrogen 2.886 N/A PHE 182.A N ASN 178.A O no hydrogen 3.094 N/A ILE 183.A N ARG 179.A O no hydrogen 3.156 N/A GLU 184.A N ARG 180.A O no hydrogen 3.224 N/A ASP 185.A N GLN 181.A O no hydrogen 2.865 N/A ASN 186.A N PHE 182.A O no hydrogen 3.108 N/A ASN 186.A N ILE 183.A O no hydrogen 2.611 N/A ALA 187.A N ILE 183.A O no hydrogen 2.620 N/A ARG 190.A N GLN 155.A O no hydrogen 2.934 N/A ARG 190.A NE GLU 195.A OE1 no hydrogen 2.692 N/A ARG 190.A NH2 GLU 195.A OE1 no hydrogen 3.143 N/A ARG 190.A NH2 GLU 198.A OE1 no hydrogen 3.090 N/A ARG 190.A NH2 GLU 198.A OE2 no hydrogen 2.923 N/A THR 193.A N ASN 191.A OD1 no hydrogen 3.144 N/A GLU 195.A N ILE 192.A O no hydrogen 3.321 N/A MET 196.A N ILE 192.A O no hydrogen 2.877 N/A ARG 197.A N THR 193.A O no hydrogen 3.207 N/A GLU 198.A N SER 194.A O no hydrogen 3.407 N/A SER 199.A N GLU 195.A O no hydrogen 3.144 N/A SER 199.A OG GLU 195.A O no hydrogen 3.342 N/A SER 199.A OG GLU 195.A OE2 no hydrogen 2.733 N/A PHE 200.A N MET 196.A O no hydrogen 3.270 N/A LEU 201.A N ARG 197.A O no hydrogen 2.674 N/A ASP 202.A N.A GLU 198.A O no hydrogen 2.575 N/A ASP 202.A N.B GLU 198.A O no hydrogen 2.574 N/A TYR 203.A N SER 199.A O no hydrogen 3.246 N/A ALA 204.A N PHE 200.A O no hydrogen 2.736 N/A MET 205.A N.A LEU 201.A O no hydrogen 2.938 N/A MET 205.A N.B LEU 201.A O no hydrogen 2.962 N/A VAL 207.A N TYR 203.A O no hydrogen 3.317 N/A ILE 208.A N MET 205.A O.A no hydrogen 2.905 N/A ILE 208.A N MET 205.A O.B no hydrogen 2.952 N/A ALA 210.A N SER 206.A O no hydrogen 2.842 N/A ARG 211.A NH1 ASP 96.A OD1 no hydrogen 2.642 N/A ARG 211.A NH1 ASP 96.A OD2 no hydrogen 3.099 N/A ALA 212.A N VAL 207.A O no hydrogen 3.287 N/A ASP 215.A N LEU 220.A O no hydrogen 3.207 N/A VAL 216.A N LEU 516.A O no hydrogen 3.048 N/A ARG 217.A N ASP 215.A OD2 no hydrogen 3.083 N/A GLY 219.A N ASP 215.A O no hydrogen 3.124 N/A LEU 220.A N ASP 218.A OD1 no hydrogen 3.084 N/A ARG 225.A N LYS 221.A O no hydrogen 2.837 N/A ARG 226.A N PRO 222.A O no hydrogen 2.896 N/A ARG 226.A NE GLU 334.A OE2 no hydrogen 3.415 N/A ARG 226.A NH2 GLU 334.A OE1 no hydrogen 2.997 N/A ILE 227.A N VAL 223.A O no hydrogen 3.198 N/A LEU 228.A N HIS 224.A O no hydrogen 2.786 N/A TYR 229.A N ARG 225.A O no hydrogen 2.598 N/A TYR 229.A OH ARG 333.A O no hydrogen 3.155 N/A GLY 230.A N ARG 226.A O no hydrogen 3.367 N/A LEU 231.A N ILE 227.A O no hydrogen 3.074 N/A ASN 232.A N LEU 228.A O no hydrogen 3.195 N/A GLU 233.A N GLY 230.A O no hydrogen 2.902 N/A GLN 234.A N GLY 230.A O no hydrogen 2.880 N/A MET 236.A N LEU 231.A O no hydrogen 3.389 N/A THR 237.A OG1 ASP 239.A OD1 no hydrogen 2.445 N/A LYS 240.A N THR 237.A O no hydrogen 2.709 N/A LYS 240.A NZ GLY 235.A O no hydrogen 3.455 N/A LYS 243.A NZ SER 241.A OG no hydrogen 3.270 N/A SER 245.A N THR 302.A O no hydrogen 2.538 N/A SER 245.A OG THR 302.A OG1 no hydrogen 2.924 N/A ARG 247.A N LYS 244.A O no hydrogen 3.235 N/A ILE 248.A N LYS 244.A O no hydrogen 3.427 N/A VAL 249.A N SER 245.A O no hydrogen 3.242 N/A GLY 250.A N ALA 246.A O no hydrogen 2.983 N/A ASP 251.A N ILE 248.A O no hydrogen 2.917 N/A VAL 252.A N ILE 248.A O no hydrogen 2.881 N/A MET 253.A N VAL 249.A O no hydrogen 2.776 N/A GLY 254.A N ASP 251.A O no hydrogen 2.830 N/A LYS 255.A NZ ASP 251.A OD1 no hydrogen 2.525 N/A TYR 256.A N VAL 252.A O no hydrogen 3.009 N/A HIS 257.A N VAL 252.A O no hydrogen 2.730 N/A HIS 259.A N HIS 257.A O no hydrogen 3.080 N/A ILE 264.A N GLY 260.A O no hydrogen 2.956 N/A TYR 265.A N ASP 261.A O no hydrogen 2.786 N/A TYR 265.A OH ALA 297.A O no hydrogen 3.133 N/A TYR 265.A OH THR 302.A OG1 no hydrogen 2.510 N/A GLU 266.A N SER 262.A O no hydrogen 3.253 N/A ALA 267.A N SER 263.A O no hydrogen 3.264 N/A MET 268.A N ILE 264.A O no hydrogen 2.898 N/A VAL 269.A N TYR 265.A O no hydrogen 2.504 N/A ARG 270.A N GLU 266.A O no hydrogen 3.414 N/A MET 271.A N ALA 267.A O no hydrogen 3.503 N/A ALA 272.A N VAL 269.A O no hydrogen 2.923 N/A GLN 273.A N ARG 270.A O no hydrogen 2.927 N/A SER 276.A N GLN 273.A O no hydrogen 2.634 N/A SER 276.A OG GLN 273.A OE1 no hydrogen 2.944 N/A TYR 277.A N GLN 273.A O no hydrogen 2.986 N/A ARG 278.A NE ASP 395.A OD2 no hydrogen 3.039 N/A ARG 278.A NH1 ARG 278.A O no hydrogen 3.321 N/A ARG 278.A NH1 ASP 660.A OD2 no hydrogen 3.005 N/A ARG 278.A NH2 ASP 395.A OD2 no hydrogen 3.048 N/A ARG 278.A NH2 ASP 660.A OD1 no hydrogen 3.305 N/A ARG 278.A NH2 ASP 660.A OD2 no hydrogen 3.138 N/A TYR 279.A N ASN 348.A OD1 no hydrogen 3.232 N/A TYR 279.A OH ASP 660.A OD1 no hydrogen 2.799 N/A LEU 281.A N MET 271.A O no hydrogen 2.729 N/A SER 290.A N ASP 294.A O no hydrogen 3.320 N/A GLY 293.A N SER 290.A O no hydrogen 2.910 N/A ALA 297.A N ASN 287.A O no hydrogen 2.802 N/A PHE 301.A N ALA 298.A O no hydrogen 2.557 N/A THR 302.A OG1 SER 245.A OG no hydrogen 2.924 N/A THR 302.A OG1 TYR 265.A OH no hydrogen 2.510 N/A GLU 303.A N GLN 285.A O no hydrogen 3.424 N/A ARG 305.A N ASP 283.A O no hydrogen 3.335 N/A ARG 305.A NE ASP 283.A OD2 no hydrogen 3.351 N/A ARG 305.A NH1 LYS 240.A O no hydrogen 2.566 N/A MET 306.A N MET 236.A O no hydrogen 3.406 N/A THR 307.A OG1 PRO 280.A O no hydrogen 2.834 N/A THR 307.A OG1 THR 310.A OG1 no hydrogen 2.827 N/A THR 310.A N THR 307.A O no hydrogen 2.876 N/A THR 310.A OG1 LEU 281.A O no hydrogen 2.694 N/A THR 310.A OG1 THR 307.A OG1 no hydrogen 2.827 N/A LEU 311.A N LYS 308.A O no hydrogen 3.020 N/A GLU 312.A N ILE 309.A O no hydrogen 3.266 N/A LEU 313.A N THR 310.A O no hydrogen 3.061 N/A LEU 314.A N LEU 311.A O no hydrogen 3.299 N/A ARG 315.A NE ASP 316.A OD2 no hydrogen 3.569 N/A ARG 315.A NH1 GLU 312.A OE2 no hydrogen 3.351 N/A LYS 319.A NZ ASP 316.A OD1 no hydrogen 2.480 N/A THR 321.A OG1 ASP 316.A O no hydrogen 2.525 N/A THR 321.A OG1 ILE 317.A O no hydrogen 3.287 N/A ILE 325.A N GLU 334.A O no hydrogen 3.107 N/A ASN 327.A N GLU 332.A O no hydrogen 3.013 N/A ASN 327.A ND2 LYS 255.A O no hydrogen 2.654 N/A ASP 329.A N ASN 327.A OD1 no hydrogen 2.827 N/A GLY 330.A N ASN 327.A O no hydrogen 2.571 N/A ASN 331.A N ASN 327.A OD1 no hydrogen 3.217 N/A ARG 333.A NH1 ASP 326.A OD2 no hydrogen 3.254 N/A GLU 334.A N ILE 325.A O no hydrogen 3.151 N/A SER 336.A OG ASP 323.A O no hydrogen 2.902 N/A LEU 338.A N ASP 218.A OD2 no hydrogen 3.151 N/A ALA 340.A N LEU 313.A O no hydrogen 3.072 N/A ARG 341.A N GLU 312.A O no hydrogen 2.955 N/A ARG 341.A NH1 GLU 650.A OE1 no hydrogen 2.974 N/A ARG 341.A NH2 GLU 650.A OE1 no hydrogen 2.563 N/A ASN 344.A ND2 ASP 218.A O no hydrogen 3.206 N/A ALA 347.A N PRO 343.A O no hydrogen 3.136 N/A ASN 348.A N ASN 344.A O no hydrogen 2.704 N/A ASN 348.A ND2 TYR 279.A O no hydrogen 3.475 N/A GLY 349.A N LEU 345.A O no hydrogen 2.815 N/A ALA 350.A N ILE 361.A O no hydrogen 3.301 N/A SER 351.A OG SER 351.A O no hydrogen 2.547 N/A ALA 354.A N MET 357.A O no hydrogen 3.090 N/A THR 359.A N GLY 352.A O no hydrogen 2.987 N/A THR 359.A OG1 ASN 512.A O no hydrogen 3.419 N/A THR 359.A OG1 ILE 514.A O no hydrogen 2.433 N/A ASN 360.A N ASN 512.A O no hydrogen 3.371 N/A ASN 360.A ND2 GLY 510.A O no hydrogen 3.033 N/A ILE 361.A N ALA 350.A O no hydrogen 2.850 N/A HIS 364.A N ALA 347.A O no hydrogen 3.229 N/A HIS 364.A ND1 LEU 346.A O no hydrogen 3.020 N/A HIS 364.A NE2 TYR 412.A OH no hydrogen 2.301 N/A ASN 365.A ND2 ASP 660.A O no hydrogen 2.509 N/A ASN 365.A ND2 ASP 661.A O no hydrogen 3.153 N/A LEU 366.A N TYR 279.A OH no hydrogen 2.619 N/A GLU 368.A N ASN 365.A OD1 no hydrogen 2.549 N/A LEU 369.A N ASN 365.A O no hydrogen 2.851 N/A ILE 370.A N LEU 366.A O no hydrogen 2.770 N/A ASN 371.A N THR 367.A O no hydrogen 3.042 N/A GLY 372.A N GLU 368.A O no hydrogen 3.071 N/A VAL 373.A N LEU 369.A O no hydrogen 3.231 N/A LEU 374.A N ILE 370.A O no hydrogen 2.906 N/A SER 375.A N ASN 371.A O no hydrogen 2.980 N/A SER 375.A OG ASN 371.A O no hydrogen 3.081 N/A SER 375.A OG ASP 390.A OD2 no hydrogen 3.319 N/A LEU 376.A N GLY 372.A O no hydrogen 2.812 N/A SER 377.A N VAL 373.A O no hydrogen 2.585 N/A SER 377.A OG LEU 374.A O no hydrogen 2.712 N/A LYS 378.A N LEU 374.A O no hydrogen 2.827 N/A ASN 379.A N SER 375.A O no hydrogen 2.721 N/A ASP 381.A N ASN 379.A OD1 no hydrogen 2.710 N/A ILE 382.A N ASN 379.A O no hydrogen 2.630 N/A SER 383.A OG GLU 386.A OE2 no hydrogen 2.872 N/A GLU 386.A N SER 383.A O no hydrogen 2.690 N/A LEU 387.A N SER 383.A O no hydrogen 3.185 N/A LEU 387.A N ILE 384.A O no hydrogen 3.076 N/A GLU 389.A N GLU 386.A O no hydrogen 3.437 N/A ILE 391.A N LEU 387.A O no hydrogen 2.836 N/A GLU 392.A N GLU 368.A OE1 no hydrogen 3.159 N/A ASP 395.A N PRO 363.A O no hydrogen 2.562 N/A PHE 396.A N THR 664.A OG1 no hydrogen 3.272 N/A ALA 399.A N PHE 396.A O no hydrogen 2.375 N/A GLY 400.A N GLU 441.A OE2 no hydrogen 2.580 N/A ILE 402.A N GLU 665.A O no hydrogen 2.961 N/A LEU 403.A N GLN 420.A O no hydrogen 2.699 N/A GLY 404.A N GLN 667.A O no hydrogen 2.921 N/A ARG 409.A N LYS 405.A O no hydrogen 2.683 N/A ARG 410.A N SER 406.A O no hydrogen 3.312 N/A ALA 411.A N ILE 408.A O no hydrogen 3.012 N/A TYR 412.A N ILE 408.A O no hydrogen 3.441 N/A TYR 412.A OH HIS 364.A NE2 no hydrogen 2.301 N/A GLU 413.A N ARG 410.A O no hydrogen 3.284 N/A THR 414.A N ARG 410.A O no hydrogen 3.311 N/A ILE 419.A N PHE 509.A O no hydrogen 3.025 N/A MET 421.A N THR 507.A O no hydrogen 2.963 N/A ARG 422.A N LEU 401.A O no hydrogen 2.996 N/A ARG 422.A NE GLN 506.A OE1 no hydrogen 3.073 N/A ARG 422.A NH2 GLN 506.A OE1 no hydrogen 3.520 N/A SER 423.A OG GLU 441.A O no hydrogen 2.709 N/A SER 423.A OG LEU 505.A O no hydrogen 3.039 N/A ARG 424.A N GLU 441.A O no hydrogen 3.147 N/A ARG 424.A NE GLU 441.A OE1 no hydrogen 2.771 N/A ARG 424.A NH1 GLU 665.A OE1 no hydrogen 2.460 N/A ARG 424.A NH2 GLU 441.A OE2 no hydrogen 3.560 N/A VAL 426.A N VAL 438.A O no hydrogen 2.628 N/A GLU 428.A N ARG 436.A O no hydrogen 3.189 N/A ARG 430.A N ARG 434.A O no hydrogen 3.171 N/A ARG 430.A NE GLN 435.A O no hydrogen 2.856 N/A GLY 431.A N ARG 434.A O no hydrogen 3.209 N/A ILE 437.A N ILE 484.A O no hydrogen 2.792 N/A VAL 438.A N VAL 426.A O no hydrogen 2.922 N/A VAL 439.A N VAL 482.A O no hydrogen 2.912 N/A THR 440.A N ARG 424.A O no hydrogen 2.794 N/A VAL 446.A N PRO 443.A O no hydrogen 2.984 N/A LYS 448.A NZ ASP 292.A OD1 no hydrogen 2.481 N/A LYS 448.A NZ ASP 472.A OD1 no hydrogen 2.974 N/A LYS 448.A NZ THR 474.A OG1 no hydrogen 2.976 N/A ALA 449.A N ASN 447.A OD1 no hydrogen 3.127 N/A MET 451.A N ASN 447.A O no hydrogen 3.137 N/A ILE 452.A N LYS 448.A O no hydrogen 3.217 N/A GLU 453.A N ALA 449.A O no hydrogen 2.897 N/A LYS 454.A N ARG 450.A O no hydrogen 3.285 N/A ILE 455.A N ILE 452.A O no hydrogen 3.005 N/A ALA 456.A N ILE 452.A O no hydrogen 3.449 N/A GLU 457.A N GLU 453.A O no hydrogen 3.162 N/A LEU 458.A N ILE 455.A O no hydrogen 2.951 N/A VAL 459.A N ILE 455.A O no hydrogen 3.174 N/A VAL 459.A N ALA 456.A O no hydrogen 2.643 N/A ARG 460.A N ALA 456.A O no hydrogen 2.760 N/A ARG 460.A NH2 GLU 453.A OE2 no hydrogen 3.195 N/A LYS 462.A N VAL 459.A O no hydrogen 2.702 N/A LYS 463.A N LEU 458.A O no hydrogen 2.640 N/A THR 468.A N ASP 485.A O no hydrogen 3.134 N/A ARG 471.A NE GLU 473.A OE2 no hydrogen 2.806 N/A ARG 471.A NH1 ASP 469.A OD1 no hydrogen 2.834 N/A ARG 471.A NH2 GLU 473.A OE2 no hydrogen 2.927 N/A GLU 473.A N ARG 481.A O no hydrogen 3.007 N/A THR 474.A OG1 ASP 472.A OD1 no hydrogen 2.711 N/A THR 474.A OG1 ASP 472.A OD2 no hydrogen 3.477 N/A SER 475.A N THR 478.A OG1 no hydrogen 3.428 N/A SER 475.A OG GLU 473.A O no hydrogen 3.458 N/A SER 475.A OG THR 478.A OG1 no hydrogen 2.886 N/A THR 478.A OG1 GLU 473.A O no hydrogen 3.346 N/A THR 478.A OG1 SER 475.A OG no hydrogen 2.886 N/A VAL 482.A N VAL 439.A O no hydrogen 3.004 N/A VAL 483.A N ARG 471.A O no hydrogen 2.955 N/A ILE 484.A N ILE 437.A O no hydrogen 2.878 N/A ASP 485.A N ASP 469.A O no hydrogen 2.942 N/A VAL 486.A N GLN 435.A O no hydrogen 3.386 N/A ARG 487.A N GLY 466.A O no hydrogen 2.917 N/A VAL 494.A N ASN 491.A O no hydrogen 3.239 N/A ILE 495.A N ASN 491.A O no hydrogen 3.415 N/A LEU 496.A N ALA 492.A O no hydrogen 2.921 N/A ASN 497.A N SER 493.A O no hydrogen 2.953 N/A ASN 498.A N ILE 495.A O no hydrogen 2.472 N/A LEU 499.A N ILE 495.A O no hydrogen 2.622 N/A TYR 500.A N LEU 496.A O no hydrogen 3.221 N/A GLN 502.A N ASN 498.A O no hydrogen 2.738 N/A THR 503.A N LEU 499.A O no hydrogen 3.146 N/A THR 503.A OG1 LEU 499.A O no hydrogen 3.073 N/A THR 507.A N MET 421.A O no hydrogen 2.635 N/A PHE 509.A N ILE 419.A O no hydrogen 2.946 N/A VAL 511.A N GLY 417.A O no hydrogen 3.137 N/A VAL 511.A N PHE 509.A O no hydrogen 3.220 N/A ASN 512.A N ASN 360.A O no hydrogen 2.919 N/A MET 513.A N GLY 415.A O no hydrogen 3.017 N/A ILE 514.A N THR 359.A OG1 no hydrogen 2.957 N/A ALA 515.A N LYS 522.A O no hydrogen 3.235 N/A LEU 516.A N PRO 214.A O no hydrogen 2.854 N/A VAL 517.A N ARG 520.A O no hydrogen 2.752 N/A ARG 520.A N VAL 517.A O no hydrogen 2.813 N/A LYS 522.A NZ GLU 528.A OE1 no hydrogen 2.766 N/A ILE 524.A N MET 513.A O no hydrogen 3.277 N/A LYS 527.A NZ ILE 382.A O no hydrogen 2.649 N/A ALA 529.A N ASN 525.A O no hydrogen 3.418 N/A LEU 530.A N LEU 526.A O no hydrogen 3.048 N/A VAL 531.A N LYS 527.A O no hydrogen 2.834 N/A HIS 532.A N GLU 528.A O no hydrogen 2.606 N/A TYR 533.A N ALA 529.A O no hydrogen 2.854 N/A TYR 533.A OH ALA 340.A O no hydrogen 3.077 N/A LEU 534.A N LEU 530.A O no hydrogen 2.523 N/A GLU 535.A N VAL 531.A O no hydrogen 2.527 N/A HIS 536.A N HIS 532.A O no hydrogen 3.044 N/A HIS 536.A NE2 PRO 339.A O no hydrogen 3.086 N/A GLN 537.A N TYR 533.A O no hydrogen 3.135 N/A GLN 537.A NE2 PRO 339.A O no hydrogen 3.486 N/A GLN 537.A NE2 ALA 340.A O no hydrogen 2.545 N/A LYS 538.A N LEU 534.A O no hydrogen 3.026 N/A LYS 538.A NZ GLU 535.A OE1 no hydrogen 3.411 N/A LYS 538.A NZ GLU 535.A OE2 no hydrogen 3.101 N/A THR 539.A N GLU 535.A O no hydrogen 2.849 N/A THR 539.A N HIS 536.A O no hydrogen 2.860 N/A THR 539.A OG1 GLU 535.A O no hydrogen 2.860 N/A VAL 540.A N GLN 537.A O no hydrogen 2.890 N/A VAL 541.A N GLN 537.A O no hydrogen 3.037 N/A ARG 543.A NE ASP 320.A O no hydrogen 3.461 N/A ARG 543.A NH1 ASP 323.A OD1 no hydrogen 2.823 N/A ARG 543.A NH2 ASP 320.A OD1 no hydrogen 3.071 N/A ARG 544.A N VAL 540.A O no hydrogen 2.973 N/A ARG 544.A NH1 ASP 316.A OD2 no hydrogen 3.233 N/A ARG 544.A NH1 GLU 650.A OE2 no hydrogen 2.828 N/A ARG 544.A NH2 GLU 650.A OE1 no hydrogen 3.140 N/A ARG 544.A NH2 GLU 650.A OE2 no hydrogen 2.741 N/A THR 545.A N VAL 541.A O no hydrogen 2.959 N/A THR 545.A OG1 VAL 541.A O no hydrogen 3.024 N/A GLN 546.A N ARG 542.A O no hydrogen 2.542 N/A TYR 547.A N ARG 543.A O no hydrogen 3.023 N/A ASN 548.A N ARG 544.A O no hydrogen 2.594 N/A ARG 550.A N GLN 546.A O no hydrogen 3.394 N/A LYS 551.A N TYR 547.A O no hydrogen 3.264 N/A ALA 552.A N LEU 549.A O no hydrogen 2.954 N/A LYS 553.A N LEU 549.A O no hydrogen 2.629 N/A ASP 554.A N ARG 550.A O no hydrogen 3.069 N/A ARG 555.A N ALA 552.A O no hydrogen 2.847 N/A ARG 555.A NE GLU 622.A OE1 no hydrogen 3.175 N/A ALA 556.A N ALA 552.A O no hydrogen 2.746 N/A HIS 557.A NE2 SER 596.A OG no hydrogen 3.075 N/A LEU 559.A N ARG 555.A O no hydrogen 2.677 N/A GLU 560.A N ALA 556.A O no hydrogen 2.941 N/A GLY 561.A N HIS 557.A O no hydrogen 3.226 N/A LEU 562.A N ILE 558.A O no hydrogen 3.130 N/A ARG 563.A N LEU 559.A O no hydrogen 3.315 N/A ARG 563.A NE GLU 620.A OE1 no hydrogen 3.158 N/A ARG 563.A NE GLU 620.A OE2 no hydrogen 3.153 N/A ARG 563.A NH2 GLU 620.A OE2 no hydrogen 2.684 N/A ILE 564.A N GLU 560.A O no hydrogen 2.895 N/A ALA 565.A N GLY 561.A O no hydrogen 3.325 N/A LEU 566.A N LEU 562.A O no hydrogen 2.671 N/A ASP 567.A N ARG 563.A O no hydrogen 2.831 N/A ASP 567.A N ILE 564.A O no hydrogen 3.234 N/A HIS 568.A N ILE 564.A O no hydrogen 3.050 N/A ILE 569.A N ASP 567.A O no hydrogen 2.561 N/A ILE 572.A N HIS 568.A O no hydrogen 3.213 N/A ILE 573.A N ILE 569.A O no hydrogen 2.681 N/A SER 574.A N ASP 570.A O no hydrogen 2.847 N/A SER 574.A OG ASP 570.A O no hydrogen 2.880 N/A THR 575.A N GLU 571.A O no hydrogen 2.756 N/A THR 575.A OG1 GLU 571.A O no hydrogen 2.674 N/A ARG 577.A N ILE 573.A O no hydrogen 3.174 N/A GLU 578.A N SER 574.A O no hydrogen 2.827 N/A SER 579.A N ILE 576.A O no hydrogen 2.742 N/A SER 579.A OG THR 575.A O no hydrogen 2.710 N/A LYS 583.A NZ GLU 587.A OE1 no hydrogen 2.469 N/A LYS 583.A NZ GLU 587.A OE2 no hydrogen 3.474 N/A VAL 584.A N THR 581.A OG1 no hydrogen 3.294 N/A ALA 585.A N THR 581.A O no hydrogen 2.766 N/A MET 586.A N ASP 582.A O no hydrogen 2.571 N/A GLU 587.A N LYS 583.A O no hydrogen 2.963 N/A SER 588.A N VAL 584.A O no hydrogen 2.469 N/A SER 588.A OG VAL 584.A O no hydrogen 3.072 N/A LEU 589.A N ALA 585.A O no hydrogen 2.776 N/A GLN 590.A N MET 586.A O no hydrogen 2.666 N/A GLN 591.A N SER 588.A O no hydrogen 3.294 N/A ARG 592.A N SER 588.A O no hydrogen 2.945 N/A LYS 594.A N GLN 591.A O no hydrogen 3.015 N/A SER 596.A N GLN 599.A OE1 no hydrogen 3.303 N/A SER 596.A OG HIS 557.A NE2 no hydrogen 3.075 N/A SER 596.A OG GLN 599.A OE1 no hydrogen 2.394 N/A GLN 599.A N SER 596.A OG no hydrogen 2.865 N/A GLN 599.A NE2 HIS 557.A O no hydrogen 3.132 N/A ALA 600.A N SER 596.A O no hydrogen 2.901 N/A GLN 601.A N GLU 597.A O no hydrogen 3.340 N/A ALA 602.A N LYS 598.A O no hydrogen 3.282 N/A ILE 603.A N ALA 600.A O no hydrogen 3.321 N/A LEU 604.A N ALA 600.A O no hydrogen 2.906 N/A ASP 605.A N GLN 601.A O no hydrogen 2.660 N/A MET 606.A N ILE 603.A O no hydrogen 3.010 N/A THR 612.A OG1 ARG 609.A O no hydrogen 3.391 N/A GLU 615.A N THR 612.A OG1 no hydrogen 3.353 N/A ARG 616.A N GLY 613.A O no hydrogen 2.891 N/A ASP 617.A N LEU 614.A O no hydrogen 2.535 N/A LYS 618.A N LEU 614.A O no hydrogen 2.808 N/A ALA 621.A N ASP 617.A O no hydrogen 2.831 N/A GLU 622.A N LYS 618.A O no hydrogen 3.160 N/A GLU 622.A N ILE 619.A O no hydrogen 2.882 N/A TYR 623.A N ILE 619.A O no hydrogen 2.810 N/A TYR 623.A OH GLU 560.A OE2 no hydrogen 2.731 N/A ASN 624.A N GLU 620.A O no hydrogen 3.238 N/A LEU 626.A N GLU 622.A O no hydrogen 3.316 N/A LEU 627.A N ASN 624.A O no hydrogen 2.821 N/A TYR 629.A N GLU 625.A O no hydrogen 2.995 N/A ILE 630.A N LEU 626.A O no hydrogen 3.207 N/A SER 631.A N LEU 627.A O no hydrogen 2.844 N/A GLU 632.A N ASN 628.A O no hydrogen 3.273 N/A LEU 633.A N TYR 629.A O no hydrogen 2.931 N/A GLU 634.A N ILE 630.A O no hydrogen 2.902 N/A THR 635.A N GLU 632.A O no hydrogen 2.819 N/A THR 635.A OG1 SER 631.A O no hydrogen 2.895 N/A ILE 636.A N GLU 632.A O no hydrogen 2.693 N/A LEU 637.A N LEU 633.A O no hydrogen 2.634 N/A ASP 639.A N LEU 637.A O no hydrogen 2.441 N/A GLU 641.A N ASP 639.A OD2 no hydrogen 2.869 N/A LEU 643.A N ASP 639.A O no hydrogen 3.503 N/A GLN 645.A N GLU 641.A O no hydrogen 2.843 N/A GLN 645.A N VAL 642.A O no hydrogen 2.936 N/A GLN 645.A NE2 ASP 649.A OD1 no hydrogen 2.426 N/A LEU 646.A N VAL 642.A O no hydrogen 2.799 N/A ARG 648.A N LEU 644.A O no hydrogen 3.317 N/A ARG 648.A NE SER 377.A OG no hydrogen 2.761 N/A ARG 648.A NH1 GLN 645.A OE1 no hydrogen 2.562 N/A ASP 649.A N GLN 645.A O no hydrogen 2.883 N/A GLU 650.A N LEU 646.A O no hydrogen 2.839 N/A LEU 651.A N VAL 647.A O no hydrogen 2.823 N/A THR 652.A N ARG 648.A O no hydrogen 2.740 N/A THR 652.A OG1 ARG 648.A O no hydrogen 2.451 N/A GLU 653.A N ASP 649.A O no hydrogen 2.861 N/A ARG 655.A N LEU 651.A O no hydrogen 3.255 N/A ARG 657.A N ILE 654.A O no hydrogen 2.422 N/A ARG 657.A NE GLU 653.A OE1 no hydrogen 3.144 N/A ARG 657.A NH2 GLU 653.A OE1 no hydrogen 2.952 N/A PHE 658.A N ILE 654.A O no hydrogen 2.683 N/A ARG 662.A NE GLU 368.A OE2 no hydrogen 2.909 N/A ARG 662.A NH1 PRO 394.A O no hydrogen 2.657 N/A ARG 662.A NH1 THR 664.A O no hydrogen 3.298 N/A ARG 662.A NH2 GLU 368.A OE1 no hydrogen 2.830 N/A ARG 662.A NH2 GLU 368.A OE2 no hydrogen 2.564 N/A ARG 662.A NH2 GLY 393.A O no hydrogen 3.002 N/A ARG 662.A NH2 PRO 394.A O no hydrogen 3.460 N/A ARG 663.A N ASP 395.A OD1 no hydrogen 3.058 N/A ARG 663.A N ASP 395.A OD2 no hydrogen 3.410 N/A ARG 663.A NH1 PRO 397.A O no hydrogen 3.217 N/A THR 664.A N ASP 395.A OD1 no hydrogen 2.793 N/A THR 664.A OG1 ALA 399.A O no hydrogen 2.686 N/A GLU 665.A N GLY 400.A O no hydrogen 2.955 N/A GLN 667.A N ILE 402.A O no hydrogen 3.297 N/A GLN 667.A NE2 GLU 665.A OE2 no hydrogen 2.586 N/A