Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a4z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLN 5.A OE1 no hydrogen 2.581 N/A GLN 5.A NE2 SER 1.A O no hydrogen 3.198 N/A ALA 6.A N GLU 3.A O no hydrogen 3.417 N/A PHE 7.A N SER 4.A O no hydrogen 3.121 N/A GLN 8.A N SER 4.A O no hydrogen 3.313 N/A ARG 9.A N GLN 5.A O no hydrogen 3.303 N/A GLN 10.A N ALA 6.A O no hydrogen 3.040 N/A LEU 11.A N PHE 7.A O no hydrogen 2.856 N/A THR 12.A N GLN 8.A O no hydrogen 2.729 N/A THR 12.A OG1 GLN 8.A O no hydrogen 3.337 N/A THR 12.A OG1 ASP 18.A OD2 no hydrogen 3.547 N/A ALA 13.A N ARG 9.A O no hydrogen 3.041 N/A LEU 14.A N GLN 10.A O no hydrogen 3.148 N/A ILE 15.A N LEU 11.A O no hydrogen 2.819 N/A GLY 16.A N THR 12.A O no hydrogen 2.882 N/A THR 20.A N ASP 18.A OD1 no hydrogen 2.690 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 2.402 N/A THR 20.A OG1 ASP 18.A OD2 no hydrogen 2.506 N/A ASP 21.A N ASP 18.A O no hydrogen 3.270 N/A ASN 24.A ND2 THR 271.A O no hydrogen 3.650 N/A ASN 24.A ND2 THR 271.A OG1 no hydrogen 2.718 N/A ASN 24.A ND2 ASN 272.A O no hydrogen 3.583 N/A GLU 29.A N ASP 27.A OD2 no hydrogen 2.692 N/A PHE 32.A N ASP 28.A O no hydrogen 2.736 N/A THR 33.A N GLU 29.A O no hydrogen 2.755 N/A THR 33.A OG1 GLU 29.A O no hydrogen 2.198 N/A ARG 34.A N LEU 30.A O no hydrogen 2.892 N/A ARG 34.A NE GLU 468.A OE1 no hydrogen 2.703 N/A ARG 34.A NE GLU 468.A OE2 no hydrogen 3.387 N/A ARG 34.A NH1 GLU 31.A OE1 no hydrogen 2.911 N/A ARG 35.A N GLU 31.A O no hydrogen 2.752 N/A GLY 36.A N PHE 32.A O no hydrogen 2.787 N/A LEU 37.A N THR 33.A O no hydrogen 2.947 N/A LEU 37.A N ARG 34.A O no hydrogen 3.152 N/A ARG 41.A N LEU 37.A O no hydrogen 3.137 N/A ARG 41.A NH1 ALA 469.A O no hydrogen 3.296 N/A ARG 41.A NH2 GLU 158.A OE2 no hydrogen 2.850 N/A MET 42.A N VAL 38.A O no hydrogen 3.049 N/A ALA 43.A N THR 39.A O no hydrogen 2.850 N/A GLU 44.A N ARG 41.A O no hydrogen 2.650 N/A VAL 45.A N ARG 41.A O no hydrogen 2.825 N/A ALA 46.A N MET 42.A O no hydrogen 2.979 N/A ARG 48.A N VAL 45.A O no hydrogen 3.293 N/A LYS 51.A N ASP 49.A OD1 no hydrogen 3.029 N/A LEU 52.A N ASP 49.A OD2 no hydrogen 2.793 N/A TYR 53.A N ASP 49.A O no hydrogen 3.248 N/A TYR 53.A OH CYS 474.A O no hydrogen 2.697 N/A ALA 54.A N PRO 50.A O no hydrogen 3.267 N/A MET 55.A N LEU 52.A O no hydrogen 3.254 N/A HIS 56.A N TYR 53.A O no hydrogen 2.547 N/A SER 61.A OG GLU 402.A OE1 no hydrogen 2.828 N/A SER 61.A OG GLU 402.A OE2 no hydrogen 3.513 N/A LYS 62.A N THR 60.A OG1 no hydrogen 2.962 N/A GLU 66.A N SER 599.A OG no hydrogen 3.321 N/A LEU 68.A N PRO 65.A O no hydrogen 3.302 N/A TRP 69.A N PRO 65.A O no hydrogen 3.205 N/A TRP 69.A N GLU 66.A O no hydrogen 2.352 N/A LYS 70.A N GLU 66.A O no hydrogen 2.859 N/A ILE 72.A N TRP 69.A O no hydrogen 2.710 N/A ALA 73.A N LYS 70.A O no hydrogen 3.294 N/A ASN 75.A N ILE 72.A O no hydrogen 3.371 N/A CYS 76.A SG ASN 74.A O no hydrogen 2.810 N/A CYS 76.A SG ASN 75.A O no hydrogen 2.757 N/A ILE 77.A N VAL 88.A O no hydrogen 3.005 N/A ILE 79.A N ILE 86.A O no hydrogen 2.769 N/A ILE 81.A N GLN 84.A O no hydrogen 3.267 N/A THR 85.A OG1 SER 83.A O no hydrogen 3.348 N/A ILE 86.A N ILE 79.A O no hydrogen 3.317 N/A VAL 88.A N ILE 77.A O no hydrogen 2.500 N/A ASP 91.A N SER 89.A O no hydrogen 2.385 N/A ASP 92.A N SER 89.A O no hydrogen 2.793 N/A ILE 97.A N THR 93.A O no hydrogen 3.134 N/A LEU 98.A N GLY 95.A O no hydrogen 2.581 N/A GLN 99.A N GLY 95.A O no hydrogen 2.614 N/A GLN 99.A N ALA 96.A O no hydrogen 3.113 N/A SER 100.A N ALA 96.A O no hydrogen 3.402 N/A THR 103.A N SER 100.A O no hydrogen 2.752 N/A THR 103.A OG1 GLN 99.A O no hydrogen 2.950 N/A THR 103.A OG1 THR 103.A O no hydrogen 2.600 N/A VAL 108.A N ASP 145.A O no hydrogen 2.627 N/A ARG 110.A N VAL 143.A O no hydrogen 3.476 N/A ARG 110.A NH2 THR 561.A OG1 no hydrogen 3.156 N/A CYS 112.A N HIS 141.A O no hydrogen 3.150 N/A CYS 112.A SG HIS 141.A O no hydrogen 3.895 N/A CYS 112.A SG VAL 142.A O no hydrogen 2.921 N/A GLY 113.A N THR 561.A OG1 no hydrogen 3.412 N/A ARG 114.A NH1 ASP 528.A OD1 no hydrogen 3.133 N/A ARG 114.A NH1 ASP 528.A OD2 no hydrogen 2.644 N/A ARG 114.A NH1 GLY 530.A O no hydrogen 3.466 N/A ARG 114.A NH2 ASP 528.A OD2 no hydrogen 2.553 N/A ASP 115.A N GLY 530.A O no hydrogen 3.107 N/A LEU 118.A N LEU 109.A O no hydrogen 2.649 N/A THR 122.A N GLY 120.A O no hydrogen 2.614 N/A ILE 124.A N ASP 92.A O no hydrogen 3.164 N/A ASN 126.A N PRO 123.A O no hydrogen 2.547 N/A GLN 128.A N TRP 58.A O no hydrogen 3.318 N/A ARG 131.A N PHE 127.A O no hydrogen 2.998 N/A ARG 131.A NE LYS 125.A O no hydrogen 3.154 N/A ARG 131.A NH2 LYS 62.A O no hydrogen 2.998 N/A ARG 131.A NH2 ASN 126.A OD1 no hydrogen 3.519 N/A HIS 132.A N GLN 128.A O no hydrogen 2.866 N/A CYS 133.A N TRP 129.A O no hydrogen 2.822 N/A CYS 133.A SG TRP 129.A O no hydrogen 2.948 N/A LEU 134.A N VAL 130.A O no hydrogen 2.963 N/A LYS 135.A N ARG 131.A O no hydrogen 2.720 N/A ASN 136.A N HIS 132.A O no hydrogen 2.744 N/A GLY 137.A N LEU 134.A O no hydrogen 3.170 N/A GLU 138.A N CYS 133.A O no hydrogen 2.752 N/A VAL 142.A N VAL 80.A O no hydrogen 3.117 N/A ASP 145.A N VAL 108.A O no hydrogen 3.225 N/A THR 146.A OG1 PRO 147.A O no hydrogen 3.483 N/A LEU 152.A N ASP 149.A O no hydrogen 3.062 N/A ASP 153.A N PRO 150.A O no hydrogen 2.680 N/A PHE 163.A N ILE 215.A O no hydrogen 2.954 N/A VAL 165.A N LEU 211.A O no hydrogen 2.734 N/A LYS 166.A N LEU 284.A O no hydrogen 2.938 N/A ILE 167.A N VAL 209.A O no hydrogen 2.970 N/A ARG 168.A NE GLU 252.A OE1 no hydrogen 2.650 N/A ARG 168.A NE GLU 252.A OE2 no hydrogen 2.938 N/A ARG 168.A NH2 GLU 252.A OE2 no hydrogen 2.621 N/A GLY 169.A N SER 282.A O no hydrogen 3.364 N/A ILE 170.A N VAL 205.A O no hydrogen 3.034 N/A ASP 171.A N SER 280.A O no hydrogen 3.050 N/A ILE 172.A N GLU 203.A O no hydrogen 2.767 N/A THR 177.A OG1 PRO 198.A O no hydrogen 3.387 N/A VAL 178.A N LYS 199.A O no hydrogen 3.314 N/A PHE 179.A N TYR 231.A O no hydrogen 2.946 N/A VAL 180.A N THR 196.A OG1 no hydrogen 2.688 N/A GLU 181.A N GLN 229.A O no hydrogen 3.045 N/A ASN 183.A N ASN 227.A O no hydrogen 2.825 N/A ASN 183.A ND2 ASN 227.A OD1 no hydrogen 2.599 N/A ASN 183.A ND2 GLN 229.A OE1 no hydrogen 3.272 N/A GLN 185.A N LEU 225.A O no hydrogen 3.067 N/A HIS 186.A N GLN 189.A O no hydrogen 3.188 N/A GLY 187.A N SER 386.A OG no hydrogen 2.846 N/A GLN 189.A N HIS 186.A O no hydrogen 2.809 N/A CYS 192.A SG SER 214.A OG no hydrogen 2.819 N/A GLN 193.A NE2 GLU 181.A OE2 no hydrogen 2.778 N/A ARG 194.A N ALA 182.A O no hydrogen 3.221 N/A ARG 195.A NE GLU 181.A OE2 no hydrogen 2.824 N/A ARG 195.A NH2 GLU 181.A OE2 no hydrogen 2.886 N/A THR 196.A OG1 VAL 180.A O no hydrogen 3.411 N/A THR 202.A OG1 GLU 204.A O no hydrogen 3.087 N/A VAL 205.A N ILE 170.A O no hydrogen 3.036 N/A TRP 207.A N ARG 168.A O no hydrogen 2.782 N/A TRP 207.A NE1 SER 197.A O no hydrogen 2.712 N/A ASN 208.A N ARG 168.A O no hydrogen 3.381 N/A LEU 211.A N VAL 165.A O no hydrogen 2.478 N/A PHE 213.A N PHE 163.A O no hydrogen 2.692 N/A ILE 217.A N ARG 161.A O no hydrogen 3.067 N/A LEU 220.A N LYS 216.A O no hydrogen 3.249 N/A LEU 226.A N LEU 239.A O no hydrogen 2.662 N/A ASN 227.A N ASN 183.A O no hydrogen 3.113 N/A ASN 227.A ND2 ASN 238.A OD1 no hydrogen 3.331 N/A LEU 228.A N VAL 237.A O no hydrogen 2.785 N/A ILE 230.A N TYR 235.A O no hydrogen 2.896 N/A TYR 231.A N PHE 179.A O no hydrogen 2.927 N/A TYR 231.A OH GLN 229.A OE1 no hydrogen 3.190 N/A LEU 234.A N ILE 230.A O no hydrogen 2.971 N/A TYR 236.A N TRP 258.A O no hydrogen 2.953 N/A VAL 237.A N LEU 228.A O no hydrogen 2.798 N/A ASN 238.A ND2 LYS 266.A O no hydrogen 2.993 N/A ASN 238.A ND2 THR 268.A O no hydrogen 3.326 N/A LEU 239.A N LEU 226.A O no hydrogen 3.193 N/A LEU 241.A N ALA 224.A O no hydrogen 3.399 N/A ASP 243.A N LEU 247.A O no hydrogen 2.761 N/A HIS 244.A NE2 ASP 28.A OD2 no hydrogen 3.199 N/A ARG 245.A N ASP 243.A OD1 no hydrogen 2.710 N/A PHE 246.A N ASP 243.A O no hydrogen 2.800 N/A ARG 249.A N LEU 241.A O no hydrogen 2.468 N/A TYR 253.A N ILE 283.A O no hydrogen 3.202 N/A LEU 255.A N ILE 281.A O no hydrogen 2.974 N/A HIS 256.A ND1 SER 278.A OG no hydrogen 3.148 N/A MET 257.A N MET 279.A O no hydrogen 2.790 N/A TRP 258.A N TYR 236.A O no hydrogen 3.023 N/A TRP 258.A NE1 ALA 270.A O no hydrogen 2.921 N/A ILE 260.A N LEU 234.A O no hydrogen 2.606 N/A ALA 264.A N MET 761.A O no hydrogen 2.782 N/A LYS 266.A N ASN 263.A O no hydrogen 3.371 N/A LEU 267.A N ALA 264.A O no hydrogen 3.322 N/A THR 268.A N ASP 265.A O no hydrogen 3.334 N/A THR 268.A OG1 HIS 458.A O no hydrogen 2.853 N/A ALA 270.A N THR 268.A OG1 no hydrogen 2.922 N/A ASN 272.A N HIS 256.A O no hydrogen 2.904 N/A ASN 272.A ND2 MET 257.A O no hydrogen 3.201 N/A ASP 274.A N ASN 272.A OD1 no hydrogen 2.503 N/A LYS 275.A N PRO 273.A O no hydrogen 3.271 N/A LYS 275.A NZ SER 23.A O no hydrogen 3.434 N/A GLU 276.A N ASP 274.A OD1 no hydrogen 3.259 N/A SER 278.A OG ASP 274.A O no hydrogen 2.881 N/A SER 280.A N ASP 171.A O no hydrogen 2.689 N/A ILE 281.A N LEU 255.A O no hydrogen 2.834 N/A SER 282.A N GLY 169.A O no hydrogen 2.733 N/A ILE 283.A N TYR 253.A O no hydrogen 3.279 N/A LEU 284.A N LYS 166.A O no hydrogen 2.586 N/A LEU 285.A N GLY 251.A O no hydrogen 2.695 N/A GLN 304.A N GLN 300.A O no hydrogen 3.330 N/A GLN 304.A NE2 GLU 320.A OE2 no hydrogen 3.249 N/A LEU 305.A N LEU 301.A O no hydrogen 2.701 N/A GLU 306.A N ARG 302.A O no hydrogen 2.836 N/A ALA 307.A N LYS 303.A O no hydrogen 2.880 N/A ILE 308.A N GLN 304.A O no hydrogen 3.098 N/A ILE 309.A N LEU 305.A O no hydrogen 2.857 N/A ALA 310.A N ILE 308.A O no hydrogen 2.414 N/A THR 311.A N ILE 308.A O no hydrogen 3.030 N/A THR 311.A OG1 ILE 308.A O no hydrogen 2.821 N/A ASN 315.A N ASP 312.A OD1 no hydrogen 2.357 N/A LYS 322.A N THR 318.A O no hydrogen 3.065 N/A GLU 323.A N ALA 319.A O no hydrogen 3.249 N/A LEU 324.A N GLU 320.A O no hydrogen 3.192 N/A LEU 325.A N ASP 321.A O no hydrogen 2.966 N/A TRP 326.A N LYS 322.A O no hydrogen 2.984 N/A HIS 327.A N GLU 323.A O no hydrogen 3.231 N/A PHE 328.A N LEU 324.A O no hydrogen 3.253 N/A ARG 329.A N TRP 326.A O no hydrogen 3.100 N/A GLU 331.A N PHE 328.A O no hydrogen 2.766 N/A SER 332.A N PHE 328.A O no hydrogen 2.945 N/A SER 332.A OG LEU 325.A O no hydrogen 3.494 N/A SER 332.A OG PHE 328.A O no hydrogen 3.555 N/A LEU 333.A N ARG 329.A O no hydrogen 2.712 N/A LYS 334.A N GLU 331.A O no hydrogen 2.765 N/A LYS 337.A NZ ASP 373.A OD2 no hydrogen 3.172 N/A ALA 338.A N HIS 335.A O no hydrogen 2.834 N/A TYR 339.A N PRO 336.A O no hydrogen 2.760 N/A TYR 339.A OH LEU 333.A O no hydrogen 3.241 N/A LYS 341.A NZ THR 311.A O no hydrogen 2.914 N/A LEU 342.A N ALA 338.A O no hydrogen 2.765 N/A PHE 343.A N TYR 339.A O no hydrogen 2.700 N/A SER 344.A N LYS 341.A O no hydrogen 3.352 N/A SER 344.A OG PRO 340.A O no hydrogen 2.708 N/A SER 345.A N LEU 342.A O no hydrogen 3.160 N/A SER 345.A OG LEU 342.A O no hydrogen 2.610 N/A GLN 350.A N LYS 347.A O no hydrogen 3.210 N/A VAL 354.A N GLN 350.A O no hydrogen 2.855 N/A ALA 355.A N GLN 351.A O no hydrogen 2.715 N/A LYS 356.A N GLU 352.A O no hydrogen 3.022 N/A THR 357.A N ILE 353.A O no hydrogen 2.982 N/A THR 357.A OG1 ILE 353.A O no hydrogen 2.744 N/A THR 357.A OG1 VAL 354.A O no hydrogen 3.258 N/A TYR 358.A N VAL 354.A O no hydrogen 2.944 N/A TYR 358.A OH ASP 387.A OD1 no hydrogen 3.341 N/A TYR 358.A OH ASP 387.A OD2 no hydrogen 2.385 N/A GLN 359.A N ALA 355.A O no hydrogen 3.121 N/A LEU 360.A N THR 357.A O no hydrogen 2.698 N/A LEU 361.A N THR 357.A O no hydrogen 2.928 N/A LEU 361.A N TYR 358.A O no hydrogen 2.985 N/A ALA 362.A N TYR 358.A O no hydrogen 3.331 N/A ARG 363.A N LEU 360.A O no hydrogen 3.355 N/A ARG 364.A N LEU 361.A O no hydrogen 3.017 N/A ARG 364.A NH1 LEU 361.A O no hydrogen 2.630 N/A SER 370.A N TRP 367.A O no hydrogen 2.783 N/A SER 370.A OG TRP 367.A O no hydrogen 2.563 N/A LEU 376.A N ASP 373.A OD1 no hydrogen 3.220 N/A THR 377.A N ASP 373.A O no hydrogen 2.692 N/A THR 377.A OG1 ASP 373.A O no hydrogen 2.618 N/A MET 378.A N VAL 374.A O no hydrogen 2.687 N/A GLN 379.A N GLY 375.A O no hydrogen 3.281 N/A GLN 379.A NE2 GLY 375.A O no hydrogen 3.079 N/A LEU 381.A N MET 378.A O no hydrogen 2.759 N/A CYS 383.A SG ASN 384.A OD1 no hydrogen 3.509 N/A ASN 384.A N ASP 382.A OD1 no hydrogen 2.468 N/A PHE 385.A N ASP 382.A O no hydrogen 3.125 N/A ASN 389.A N ASP 387.A OD1 no hydrogen 2.905 N/A VAL 390.A N ASP 387.A OD1 no hydrogen 3.201 N/A ARG 391.A N ASP 387.A O no hydrogen 2.972 N/A ARG 391.A NE GLU 420.A OE1 no hydrogen 2.674 N/A ARG 391.A NH1 LEU 381.A O no hydrogen 3.132 N/A ARG 391.A NH1 GLU 420.A OE1 no hydrogen 2.881 N/A ARG 391.A NH2 LEU 381.A O no hydrogen 3.138 N/A ARG 391.A NH2 PHE 385.A O no hydrogen 2.958 N/A ALA 392.A N GLU 388.A O no hydrogen 2.829 N/A ILE 393.A N ASN 389.A O no hydrogen 3.333 N/A VAL 395.A N ARG 391.A O no hydrogen 3.051 N/A GLN 396.A N ALA 392.A O no hydrogen 2.818 N/A GLN 396.A N ILE 393.A O no hydrogen 2.807 N/A LYS 397.A N ILE 393.A O no hydrogen 2.965 N/A LYS 397.A N ALA 394.A O no hydrogen 3.273 N/A LYS 397.A NZ TRP 367.A O no hydrogen 2.933 N/A LEU 398.A N ALA 394.A O no hydrogen 3.282 N/A GLU 399.A N VAL 395.A O no hydrogen 3.250 N/A LEU 401.A N LEU 398.A O no hydrogen 2.664 N/A ASP 405.A N GLU 402.A O no hydrogen 2.919 N/A VAL 406.A N GLU 402.A O no hydrogen 3.281 N/A VAL 406.A N ASP 403.A O no hydrogen 2.593 N/A LEU 413.A N TYR 409.A O no hydrogen 2.887 N/A VAL 414.A N LEU 410.A O no hydrogen 2.610 N/A GLN 415.A N LEU 411.A O no hydrogen 2.780 N/A ALA 416.A N GLN 412.A O no hydrogen 2.919 N/A VAL 417.A N VAL 414.A O no hydrogen 3.412 N/A LYS 418.A N GLN 415.A O no hydrogen 3.126 N/A LYS 418.A NZ GLN 415.A OE1 no hydrogen 3.088 N/A LYS 418.A NZ GLU 452.A OE1 no hydrogen 3.271 N/A LYS 418.A NZ THR 762.A O no hydrogen 3.504 N/A PHE 419.A N ALA 416.A O no hydrogen 2.920 N/A GLU 420.A N VAL 417.A O no hydrogen 3.216 N/A TYR 422.A OH ILE 242.A O no hydrogen 2.567 N/A HIS 423.A N GLU 29.A OE2 no hydrogen 2.521 N/A ALA 428.A N SER 425.A OG no hydrogen 3.265 N/A ARG 429.A N SER 425.A O no hydrogen 2.907 N/A ARG 429.A NE ASP 424.A OD1 no hydrogen 2.521 N/A ARG 429.A NE ASP 424.A OD2 no hydrogen 3.327 N/A ARG 429.A NH2 ASP 424.A OD2 no hydrogen 2.498 N/A PHE 430.A N ALA 426.A O no hydrogen 2.716 N/A LEU 431.A N LEU 427.A O no hydrogen 2.863 N/A LEU 432.A N ALA 428.A O no hydrogen 2.713 N/A LYS 433.A N ARG 429.A O no hydrogen 3.004 N/A LYS 433.A NZ GLU 399.A OE2 no hydrogen 3.402 N/A ARG 434.A N PHE 430.A O no hydrogen 3.202 N/A ARG 434.A NH1 LEU 401.A O no hydrogen 2.795 N/A ARG 434.A NH2 LEU 401.A O no hydrogen 2.647 N/A ARG 434.A NH2 ASP 403.A OD1 no hydrogen 3.021 N/A GLY 435.A N LEU 431.A O no hydrogen 2.910 N/A GLY 435.A N LEU 432.A O no hydrogen 3.234 N/A LEU 436.A N LEU 432.A O no hydrogen 3.182 N/A ARG 437.A N LYS 433.A O no hydrogen 2.815 N/A ARG 437.A NE GLU 44.A OE2 no hydrogen 3.013 N/A ARG 437.A NH2 GLU 44.A OE2 no hydrogen 3.515 N/A ASN 438.A N ARG 434.A O no hydrogen 3.351 N/A GLY 442.A N ASN 438.A O no hydrogen 3.086 N/A HIS 443.A N LYS 439.A O no hydrogen 2.970 N/A HIS 443.A NE2 GLN 485.A OE1 no hydrogen 3.062 N/A PHE 444.A N ARG 440.A O no hydrogen 3.333 N/A LEU 445.A N ILE 441.A O no hydrogen 3.014 N/A PHE 446.A N GLY 442.A O no hydrogen 2.959 N/A TRP 447.A N HIS 443.A O no hydrogen 3.270 N/A TRP 447.A NE1 GLN 485.A OE1 no hydrogen 2.814 N/A PHE 448.A N PHE 444.A O no hydrogen 2.799 N/A LEU 449.A N LEU 445.A O no hydrogen 2.744 N/A ARG 450.A N PHE 446.A O no hydrogen 2.822 N/A ARG 450.A NE LEU 14.A O no hydrogen 2.464 N/A ARG 450.A NH2 LEU 14.A O no hydrogen 2.479 N/A SER 451.A N TRP 447.A O no hydrogen 3.085 N/A SER 451.A OG PHE 448.A O no hydrogen 3.235 N/A SER 451.A OG GLU 452.A OE2 no hydrogen 3.373 N/A ILE 453.A N LEU 449.A O no hydrogen 3.066 N/A ALA 454.A N ARG 450.A O no hydrogen 2.999 N/A GLN 455.A N GLU 452.A O no hydrogen 3.266 N/A GLN 455.A NE2 SER 451.A O no hydrogen 2.957 N/A GLN 455.A NE2 SER 611.A OG no hydrogen 3.052 N/A SER 456.A N GLU 452.A O no hydrogen 2.707 N/A TYR 459.A N SER 456.A O no hydrogen 3.028 N/A TYR 459.A N SER 456.A OG no hydrogen 2.832 N/A TYR 459.A OH ALA 264.A O no hydrogen 2.604 N/A ARG 462.A NH1 VAL 417.A O no hydrogen 2.782 N/A ARG 462.A NH1 GLU 420.A O no hydrogen 3.043 N/A ARG 462.A NH2 GLU 420.A O no hydrogen 3.312 N/A PHE 463.A N TYR 459.A O no hydrogen 3.233 N/A ALA 464.A N GLN 460.A O no hydrogen 2.637 N/A VAL 465.A N GLN 461.A O no hydrogen 3.050 N/A VAL 465.A N ARG 462.A O no hydrogen 3.259 N/A ILE 466.A N ARG 462.A O no hydrogen 3.240 N/A ILE 466.A N PHE 463.A O no hydrogen 2.837 N/A LEU 467.A N PHE 463.A O no hydrogen 2.943 N/A GLU 468.A N ALA 464.A O no hydrogen 3.324 N/A TYR 470.A N LEU 467.A O no hydrogen 2.499 N/A LEU 471.A N LEU 467.A O no hydrogen 2.705 N/A ARG 472.A N GLU 468.A O no hydrogen 3.187 N/A CYS 474.A SG TYR 470.A O no hydrogen 3.628 N/A CYS 474.A SG LEU 471.A O no hydrogen 3.722 N/A CYS 474.A SG GLY 475.A O no hydrogen 3.765 N/A THR 476.A N LEU 152.A O no hydrogen 3.047 N/A THR 476.A OG1 LEU 152.A O no hydrogen 3.249 N/A THR 476.A OG1 GLU 154.A O no hydrogen 2.624 N/A ALA 477.A N LEU 152.A O no hydrogen 3.073 N/A HIS 480.A N THR 476.A O no hydrogen 3.278 N/A HIS 480.A N ALA 477.A O no hydrogen 2.713 N/A ASP 481.A N ALA 477.A O no hydrogen 3.120 N/A PHE 482.A N MET 478.A O no hydrogen 2.775 N/A THR 483.A N LEU 479.A O no hydrogen 3.226 N/A THR 483.A OG1 LEU 479.A O no hydrogen 2.298 N/A THR 483.A OG1 HIS 480.A O no hydrogen 3.506 N/A GLN 484.A N HIS 480.A O no hydrogen 2.961 N/A GLN 485.A N ASP 481.A O no hydrogen 2.722 N/A VAL 486.A N PHE 482.A O no hydrogen 2.801 N/A GLN 487.A N THR 483.A O no hydrogen 3.109 N/A VAL 488.A N GLN 484.A O no hydrogen 3.325 N/A ILE 489.A N GLN 485.A O no hydrogen 3.247 N/A GLU 490.A N VAL 486.A O no hydrogen 3.010 N/A MET 491.A N GLN 487.A O no hydrogen 2.929 N/A LEU 492.A N VAL 488.A O no hydrogen 2.730 N/A GLN 493.A N ILE 489.A O no hydrogen 2.744 N/A LYS 494.A N MET 491.A O no hydrogen 2.676 N/A LYS 494.A NZ GLU 490.A O no hydrogen 3.326 N/A VAL 495.A N MET 491.A O no hydrogen 3.202 N/A THR 496.A N LEU 492.A O no hydrogen 3.055 N/A THR 496.A OG1 LEU 492.A O no hydrogen 2.824 N/A LEU 497.A N GLN 493.A O no hydrogen 2.913 N/A ASP 498.A N LYS 494.A O no hydrogen 3.041 N/A ILE 499.A N VAL 495.A O no hydrogen 3.074 N/A LYS 500.A N LEU 497.A O no hydrogen 3.001 N/A SER 501.A N LEU 497.A O no hydrogen 3.194 N/A SER 501.A N ASP 498.A O no hydrogen 2.612 N/A SER 501.A OG ASP 498.A O no hydrogen 2.427 N/A LEU 507.A N VAL 503.A O no hydrogen 2.730 N/A LYS 510.A N GLN 506.A O no hydrogen 2.820 N/A LYS 510.A NZ GLN 506.A OE1 no hydrogen 3.499 N/A LEU 511.A N LEU 507.A O no hydrogen 2.678 N/A GLU 512.A N LYS 508.A O no hydrogen 2.448 N/A ASN 513.A N GLN 509.A O no hydrogen 3.290 N/A LEU 514.A N LYS 510.A O no hydrogen 3.096 N/A LEU 514.A N LEU 511.A O no hydrogen 2.564 N/A GLN 515.A N LEU 511.A O no hydrogen 3.233 N/A ASN 516.A N GLU 512.A O no hydrogen 3.302 N/A GLN 518.A N LEU 514.A O no hydrogen 3.286 N/A LEU 519.A N LEU 514.A O no hydrogen 3.281 N/A SER 522.A OG ALA 533.A O no hydrogen 2.853 N/A PHE 523.A N ALA 533.A O no hydrogen 2.856 N/A ARG 524.A NE PRO 529.A O no hydrogen 2.535 N/A VAL 525.A N LEU 531.A O no hydrogen 3.158 N/A TYR 527.A OH GLY 569.A O no hydrogen 2.808 N/A ASP 528.A N VAL 525.A O no hydrogen 2.735 N/A LYS 532.A NZ SER 522.A O no hydrogen 3.193 N/A LYS 532.A NZ SER 522.A OG no hydrogen 2.998 N/A GLY 534.A N LYS 556.A O no hydrogen 2.771 N/A ALA 537.A N GLU 554.A O no hydrogen 2.709 N/A ILE 538.A N LEU 536.A O no hydrogen 2.556 N/A LYS 540.A N ALA 537.A O no hydrogen 2.479 N/A CYS 541.A N ILE 538.A O no hydrogen 2.952 N/A CYS 541.A SG ALA 537.A O no hydrogen 3.457 N/A CYS 541.A SG ILE 538.A O no hydrogen 3.869 N/A CYS 541.A SG GLU 554.A O no hydrogen 3.965 N/A LYS 542.A N TRP 552.A O no hydrogen 2.861 N/A SER 546.A OG LYS 548.A O no hydrogen 2.648 N/A LYS 548.A NZ ASP 576.A OD1 no hydrogen 3.376 N/A LYS 549.A NZ SER 546.A O no hydrogen 2.721 N/A LEU 551.A N PHE 572.A O no hydrogen 2.645 N/A TRP 552.A N LYS 542.A O no hydrogen 3.182 N/A LEU 553.A N ILE 570.A O no hydrogen 2.907 N/A PHE 555.A N ILE 568.A O no hydrogen 2.977 N/A LYS 556.A N ALA 535.A O no hydrogen 2.942 N/A THR 561.A OG1 ASP 559.A OD1 no hydrogen 2.915 N/A SER 564.A N ALA 562.A O no hydrogen 2.861 N/A GLU 566.A N SER 564.A OG no hydrogen 2.829 N/A THR 567.A N GLU 566.A OE2 no hydrogen 3.041 N/A ILE 568.A N PHE 555.A O no hydrogen 2.857 N/A ILE 570.A N LEU 553.A O no hydrogen 2.991 N/A ILE 571.A N ILE 619.A O no hydrogen 2.721 N/A PHE 572.A N LEU 551.A O no hydrogen 2.947 N/A LYS 573.A N GLY 617.A O no hydrogen 3.258 N/A LYS 573.A NZ ASP 576.A OD2 no hydrogen 2.383 N/A GLY 575.A N LYS 615.A O no hydrogen 2.819 N/A ARG 579.A N ASP 577.A OD1 no hydrogen 3.247 N/A ARG 579.A NH1 GLU 452.A OE2 no hydrogen 3.005 N/A GLN 580.A N ASP 577.A O no hydrogen 3.044 N/A GLN 580.A NE2 GLY 763.A O no hydrogen 3.103 N/A MET 582.A N LEU 578.A O no hydrogen 3.342 N/A ILE 584.A N GLN 580.A O no hydrogen 3.125 N/A LEU 585.A N ASP 581.A O no hydrogen 2.613 N/A GLN 586.A N MET 582.A O no hydrogen 2.827 N/A GLN 586.A NE2 LEU 407.A O no hydrogen 3.484 N/A ILE 587.A N LEU 583.A O no hydrogen 2.988 N/A LEU 588.A N ILE 584.A O no hydrogen 3.204 N/A ARG 589.A N LEU 585.A O no hydrogen 3.223 N/A ILE 590.A N GLN 586.A O no hydrogen 3.195 N/A ILE 590.A N ILE 587.A O no hydrogen 2.916 N/A MET 591.A N ILE 587.A O no hydrogen 3.145 N/A GLU 592.A N LEU 588.A O no hydrogen 2.841 N/A SER 593.A N ILE 590.A O no hydrogen 3.218 N/A SER 593.A OG ILE 590.A O no hydrogen 2.685 N/A ILE 594.A N ILE 590.A O no hydrogen 2.723 N/A TRP 595.A N MET 591.A O no hydrogen 3.155 N/A TRP 595.A NE1 ALA 741.A O no hydrogen 2.843 N/A THR 597.A N ILE 594.A O no hydrogen 2.596 N/A THR 597.A OG1 ILE 594.A O no hydrogen 2.535 N/A GLU 598.A N TRP 595.A O no hydrogen 2.831 N/A SER 599.A N GLU 596.A O no hydrogen 2.509 N/A LEU 600.A N TRP 595.A O no hydrogen 3.021 N/A CYS 603.A N ASP 601.A OD1 no hydrogen 2.742 N/A CYS 603.A SG ASP 601.A OD1 no hydrogen 3.673 N/A LEU 605.A N TYR 675.A OH no hydrogen 2.847 N/A GLY 608.A N GLU 620.A OE1 no hydrogen 2.869 N/A CYS 609.A SG LEU 578.A O no hydrogen 3.938 N/A ILE 610.A N MET 618.A O no hydrogen 2.967 N/A THR 612.A N ILE 616.A O no hydrogen 3.098 N/A THR 612.A OG1 GLN 493.A OE1 no hydrogen 3.380 N/A GLY 613.A N ILE 616.A O no hydrogen 3.484 N/A GLY 617.A N LYS 573.A O no hydrogen 3.321 N/A MET 618.A N ILE 610.A O no hydrogen 2.837 N/A ILE 619.A N ILE 571.A O no hydrogen 2.965 N/A GLU 620.A N GLY 608.A O no hydrogen 2.770 N/A LYS 623.A NZ GLU 566.A OE2 no hydrogen 2.739 N/A LYS 623.A NZ THR 567.A OG1 no hydrogen 2.496 N/A THR 626.A N ILE 694.A O no hydrogen 3.018 N/A ILE 628.A N ILE 692.A O no hydrogen 2.700 N/A LYS 630.A N THR 627.A OG1 no hydrogen 3.073 N/A ILE 631.A N THR 627.A O no hydrogen 3.376 N/A GLN 632.A N ILE 628.A O no hydrogen 3.375 N/A SER 634.A OG LYS 630.A O no hydrogen 3.244 N/A GLY 640.A N GLY 637.A O no hydrogen 2.938 N/A HIS 649.A N VAL 646.A O no hydrogen 3.011 N/A TRP 650.A N VAL 646.A O no hydrogen 3.063 N/A LEU 651.A N ASN 648.A O no hydrogen 3.383 N/A LYS 652.A N ASN 648.A O no hydrogen 3.401 N/A LYS 652.A NZ THR 657.A O no hydrogen 2.883 N/A LYS 652.A NZ GLU 658.A OE1 no hydrogen 2.583 N/A GLU 653.A N HIS 649.A O no hydrogen 2.860 N/A LYS 654.A N TRP 650.A O no hydrogen 3.194 N/A SER 655.A OG LEU 651.A O no hydrogen 2.462 N/A SER 655.A OG LYS 652.A O no hydrogen 3.530 N/A THR 657.A OG1 PRO 656.A O no hydrogen 2.662 N/A GLN 662.A N GLU 658.A O no hydrogen 3.493 N/A ALA 664.A N LYS 660.A O no hydrogen 3.010 N/A VAL 665.A N GLN 662.A O no hydrogen 2.835 N/A GLU 666.A N GLN 662.A O no hydrogen 2.591 N/A ARG 667.A N ALA 663.A O no hydrogen 2.833 N/A PHE 668.A N VAL 665.A O no hydrogen 3.187 N/A VAL 669.A N GLU 666.A O no hydrogen 3.129 N/A TYR 670.A OH GLU 666.A OE1 no hydrogen 2.540 N/A SER 671.A OG ARG 667.A O no hydrogen 2.989 N/A SER 671.A OG PHE 668.A O no hydrogen 2.981 N/A CYS 672.A N PHE 668.A O no hydrogen 2.992 N/A ALA 673.A N VAL 669.A O no hydrogen 2.624 N/A GLY 674.A N TYR 670.A O no hydrogen 2.536 N/A TYR 675.A N SER 671.A O no hydrogen 3.074 N/A CYS 676.A N CYS 672.A O no hydrogen 3.203 N/A CYS 676.A N ALA 673.A O no hydrogen 2.942 N/A CYS 676.A SG CYS 672.A O no hydrogen 2.799 N/A VAL 677.A N ALA 673.A O no hydrogen 2.943 N/A ALA 678.A N GLY 674.A O no hydrogen 3.036 N/A THR 679.A N TYR 675.A O no hydrogen 3.107 N/A THR 679.A OG1 TYR 675.A O no hydrogen 2.451 N/A THR 679.A OG1 CYS 676.A O no hydrogen 3.425 N/A PHE 680.A N CYS 676.A O no hydrogen 3.019 N/A VAL 681.A N VAL 677.A O no hydrogen 2.925 N/A LEU 682.A N ALA 678.A O no hydrogen 2.894 N/A GLY 683.A N PHE 680.A O no hydrogen 3.140 N/A ILE 684.A N THR 679.A O no hydrogen 3.037 N/A ARG 687.A N GLY 685.A O no hydrogen 2.941 N/A ARG 687.A NH1 ILE 703.A O no hydrogen 3.103 N/A ARG 687.A NH2 ILE 703.A O no hydrogen 2.382 N/A ILE 692.A N ASN 689.A O no hydrogen 2.654 N/A MET 693.A N PHE 701.A O no hydrogen 2.859 N/A ILE 694.A N THR 626.A O no hydrogen 3.048 N/A THR 695.A N ASN 699.A O no hydrogen 2.671 N/A THR 695.A OG1 ASN 699.A O no hydrogen 3.077 N/A GLU 696.A N ASP 624.A O no hydrogen 3.268 N/A GLY 698.A N THR 695.A O no hydrogen 2.632 N/A ASN 699.A N THR 695.A OG1 no hydrogen 2.619 N/A ASN 699.A ND2 CYS 603.A O no hydrogen 3.070 N/A PHE 701.A N MET 693.A O no hydrogen 2.552 N/A ILE 703.A N ASN 691.A O no hydrogen 2.783 N/A PHE 705.A N ASP 581.A OD2 no hydrogen 2.942 N/A LEU 717.A N THR 713.A O no hydrogen 3.193 N/A PHE 718.A N PRO 714.A O no hydrogen 2.360 N/A VAL 719.A N ASP 715.A O no hydrogen 2.611 N/A MET 720.A N PHE 716.A O no hydrogen 2.852 N/A GLY 721.A N LEU 717.A O no hydrogen 2.986 N/A THR 722.A N LEU 717.A O no hydrogen 3.197 N/A THR 722.A OG1 SER 728.A OG no hydrogen 2.808 N/A SER 728.A N THR 722.A OG1 no hydrogen 2.945 N/A SER 728.A OG THR 722.A OG1 no hydrogen 2.808 N/A PHE 731.A N SER 728.A OG no hydrogen 3.272 N/A GLN 732.A N SER 728.A O no hydrogen 3.317 N/A LYS 733.A NZ HIS 730.A ND1 no hydrogen 2.618 N/A PHE 734.A N HIS 730.A O no hydrogen 2.741 N/A GLN 735.A N PHE 731.A O no hydrogen 3.195 N/A ASP 736.A N GLN 732.A O no hydrogen 2.441 N/A ILE 737.A N PHE 734.A O no hydrogen 3.105 N/A CYS 738.A N PHE 734.A O no hydrogen 2.867 N/A CYS 738.A SG PHE 734.A O no hydrogen 3.499 N/A VAL 739.A N GLN 735.A O no hydrogen 3.364 N/A LYS 740.A NZ GLU 598.A OE1 no hydrogen 2.870 N/A LYS 740.A NZ LYS 740.A O no hydrogen 2.541 N/A ALA 741.A N ILE 737.A O no hydrogen 2.751 N/A ALA 741.A N CYS 738.A O no hydrogen 2.810 N/A TYR 742.A N CYS 738.A O no hydrogen 2.485 N/A TYR 742.A OH ALA 779.A O no hydrogen 2.636 N/A TYR 742.A OH THR 781.A OG1 no hydrogen 3.190 N/A LEU 743.A N VAL 739.A O no hydrogen 2.793 N/A ALA 744.A N ALA 741.A O no hydrogen 3.144 N/A LEU 745.A N ALA 741.A O no hydrogen 3.162 N/A LEU 745.A N TYR 742.A O no hydrogen 3.315 N/A ARG 746.A N TYR 742.A O no hydrogen 3.313 N/A ARG 746.A NE LEU 780.A O no hydrogen 2.510 N/A ARG 746.A NE THR 781.A O no hydrogen 3.319 N/A ARG 746.A NE THR 781.A OG1 no hydrogen 2.503 N/A ARG 746.A NH2 THR 781.A O no hydrogen 2.683 N/A HIS 747.A ND1 GLU 598.A OE2 no hydrogen 3.136 N/A HIS 748.A N LEU 745.A O no hydrogen 2.531 N/A THR 749.A N ARG 746.A O no hydrogen 2.993 N/A THR 749.A OG1 ARG 746.A O no hydrogen 2.902 N/A LEU 752.A N HIS 748.A O no hydrogen 3.099 N/A ILE 753.A N THR 749.A O no hydrogen 2.939 N/A ILE 754.A N ASN 750.A O no hydrogen 2.912 N/A ILE 754.A N LEU 751.A O no hydrogen 2.873 N/A LEU 755.A N LEU 751.A O no hydrogen 2.933 N/A PHE 756.A N LEU 752.A O no hydrogen 2.996 N/A SER 757.A N ILE 753.A O no hydrogen 3.329 N/A MET 758.A N ILE 754.A O no hydrogen 3.147 N/A MET 759.A N LEU 755.A O no hydrogen 2.732 N/A LEU 760.A N PHE 756.A O no hydrogen 3.050 N/A MET 761.A N SER 757.A O no hydrogen 3.175 N/A THR 762.A N MET 758.A O no hydrogen 3.139 N/A THR 762.A OG1 GLN 415.A OE1 no hydrogen 3.137 N/A THR 762.A OG1 MET 758.A O no hydrogen 3.348 N/A MET 764.A N LEU 760.A O no hydrogen 3.376 N/A THR 768.A OG1 ASP 772.A OD2 no hydrogen 2.439 N/A TYR 775.A OH PHE 680.A O no hydrogen 2.639 N/A ILE 776.A N ILE 773.A O no hydrogen 2.885 N/A ASP 778.A N GLU 774.A O no hydrogen 3.177 N/A ALA 779.A N TYR 775.A O no hydrogen 2.980 N/A LEU 780.A N ILE 776.A O no hydrogen 2.989 N/A THR 781.A N ASP 778.A O no hydrogen 2.460 N/A THR 781.A OG1 TYR 742.A OH no hydrogen 3.190 N/A THR 781.A OG1 LEU 780.A O no hydrogen 2.379 N/A VAL 782.A N ARG 777.A O no hydrogen 3.195 N/A ASN 785.A ND2 ASP 788.A OD1 no hydrogen 2.484 N/A GLU 787.A N ASN 785.A O no hydrogen 2.405 N/A ASP 788.A N ASN 785.A OD1 no hydrogen 2.505 N/A ALA 789.A N ASN 785.A O no hydrogen 3.403 N/A LYS 791.A N GLU 787.A O no hydrogen 2.920 N/A TYR 792.A N ASP 788.A O no hydrogen 2.936 N/A PHE 793.A N ALA 789.A O no hydrogen 2.921 N/A ASP 795.A N LYS 791.A O no hydrogen 2.858 N/A GLN 796.A N TYR 792.A O no hydrogen 3.173 N/A GLN 796.A NE2 TYR 792.A O no hydrogen 3.393 N/A ILE 797.A N PHE 793.A O no hydrogen 2.757 N/A GLU 798.A N LEU 794.A O no hydrogen 2.792 N/A VAL 799.A N ASP 795.A O no hydrogen 3.038 N/A CYS 800.A N GLN 796.A O no hydrogen 3.332 N/A CYS 800.A SG PHE 710.A O no hydrogen 2.854 N/A ARG 801.A N GLU 798.A O no hydrogen 2.334 N/A ASP 802.A N GLU 798.A O no hydrogen 2.591 N/A LYS 803.A N VAL 799.A O no hydrogen 3.061 N/A LYS 803.A NZ ASP 802.A OD1 no hydrogen 2.816 N/A THR 806.A N LYS 803.A O no hydrogen 2.676 N/A THR 806.A OG1 LYS 803.A O no hydrogen 2.571 N/A PHE 809.A N TRP 805.A O no hydrogen 3.123 N/A TRP 811.A N VAL 807.A O no hydrogen 2.721 N/A