Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7sti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH CYS 218.A O no hydrogen 2.758 N/A VAL 5.A N GLU 4.A OE1 no hydrogen 3.192 N/A CYS 6.A SG VAL 26.A O no hydrogen 3.224 N/A MET 9.A N HIS 30.A O no hydrogen 3.041 N/A ILE 11.A N GLN 32.A O no hydrogen 2.807 N/A ASN 13.A N LEU 35.A O no hydrogen 2.611 N/A ARG 17.A NE ASP 10.A O no hydrogen 2.888 N/A ARG 17.A NH2 ASP 10.A O no hydrogen 2.279 N/A LEU 18.A N LEU 15.A O no hydrogen 3.013 N/A HIS 19.A ND1 GLU 22.A OE2 no hydrogen 3.171 N/A GLU 20.A N ARG 17.A O no hydrogen 3.296 N/A LEU 21.A N LEU 18.A O no hydrogen 3.327 N/A GLU 22.A N HIS 19.A O no hydrogen 3.254 N/A CYS 24.A N LEU 21.A O no hydrogen 3.331 N/A CYS 24.A SG VAL 26.A O no hydrogen 3.417 N/A SER 25.A OG LYS 51.A O no hydrogen 2.789 N/A ILE 27.A N MET 54.A O no hydrogen 3.456 N/A GLU 28.A N VAL 5.A O no hydrogen 2.756 N/A GLU 28.A N CYS 6.A O no hydrogen 2.774 N/A LEU 31.A N TYR 58.A O no hydrogen 3.315 N/A GLN 32.A N MET 9.A O no hydrogen 3.296 N/A GLN 32.A NE2 TYR 58.A OH no hydrogen 3.227 N/A ILE 33.A N LEU 60.A O no hydrogen 2.726 N/A LEU 34.A N ILE 11.A O no hydrogen 3.170 N/A LEU 35.A N PHE 62.A O no hydrogen 2.979 N/A MET 36.A N ARG 63.A O no hydrogen 3.145 N/A THR 39.A OG1 TYR 65.A O no hydrogen 2.451 N/A ARG 40.A N ASP 43.A OD2 no hydrogen 3.080 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.636 N/A ASP 43.A N ARG 40.A O no hydrogen 3.062 N/A PHE 44.A N PRO 41.A O no hydrogen 2.849 N/A ASP 46.A N ASP 46.A OD1 no hydrogen 2.438 N/A SER 48.A OG ASP 72.A O no hydrogen 2.664 N/A SER 48.A OG ASP 72.A OD1 no hydrogen 2.380 N/A PHE 49.A N LEU 73.A O no hydrogen 2.572 N/A ILE 53.A N SER 25.A O no hydrogen 2.594 N/A ILE 55.A N VAL 79.A O no hydrogen 2.775 N/A THR 56.A N ILE 27.A O no hydrogen 3.329 N/A THR 56.A OG1 ILE 27.A O no hydrogen 2.709 N/A ASP 57.A N GLY 29.A O no hydrogen 3.202 N/A LEU 59.A N ALA 90.A O no hydrogen 3.100 N/A LEU 60.A N LEU 31.A O no hydrogen 2.799 N/A PHE 62.A N ILE 33.A O no hydrogen 3.361 N/A TYR 65.A N MET 36.A O no hydrogen 3.106 N/A LEU 70.A N LEU 102.A O no hydrogen 2.976 N/A LYS 71.A NZ GLY 103.A O no hydrogen 2.625 N/A LYS 71.A NZ HIS 180.A ND1 no hydrogen 2.935 N/A PHE 74.A N LEU 70.A O no hydrogen 3.040 N/A ASN 76.A ND2 PRO 50.A O no hydrogen 2.480 N/A THR 78.A N ILE 53.A O no hydrogen 2.518 N/A THR 78.A OG1 ILE 53.A O no hydrogen 3.327 N/A THR 78.A OG1 ASN 76.A O no hydrogen 2.850 N/A ARG 81.A N ILE 55.A O no hydrogen 2.985 N/A ARG 81.A NH1 CYS 221.A O no hydrogen 2.998 N/A ARG 81.A NH2 ASN 223.A O no hydrogen 2.846 N/A SER 83.A N THR 56.A O no hydrogen 2.914 N/A TYR 89.A N PHE 86.A O no hydrogen 3.134 N/A TYR 89.A OH ASP 140.A O no hydrogen 3.297 N/A ALA 90.A N SER 114.A O no hydrogen 3.139 N/A ILE 93.A N ARG 116.A O no hydrogen 2.666 N/A GLU 95.A N GLU 118.A O no hydrogen 3.215 N/A MET 96.A N ASN 120.A OD1 no hydrogen 2.451 N/A LYS 100.A N GLU 68.A O no hydrogen 3.284 N/A LYS 100.A NZ HIS 98.A O no hydrogen 2.448 N/A GLU 101.A N GLU 68.A O no hydrogen 3.366 N/A TYR 105.A N GLY 103.A O no hydrogen 2.849 N/A ASN 106.A ND2 PRO 75.A O no hydrogen 2.261 N/A ILE 110.A N ILE 134.A O no hydrogen 3.285 N/A THR 111.A N ILE 80.A O no hydrogen 2.856 N/A THR 111.A OG1 ILE 80.A O no hydrogen 3.552 N/A SER 114.A OG ASP 140.A OD2 no hydrogen 2.914 N/A ARG 116.A N LEU 91.A O no hydrogen 3.077 N/A ARG 116.A NE GLU 118.A OE1 no hydrogen 3.219 N/A ARG 116.A NH2 GLU 118.A OE1 no hydrogen 3.376 N/A ILE 117.A N TYR 142.A O no hydrogen 3.274 N/A GLU 118.A N ILE 93.A O no hydrogen 3.009 N/A LYS 119.A NZ GLU 118.A OE2 no hydrogen 2.575 N/A ASN 120.A N LEU 145.A O no hydrogen 3.058 N/A ASN 120.A ND2 ILE 93.A O no hydrogen 3.350 N/A CYS 124.A N LYS 100.A O no hydrogen 2.525 N/A CYS 124.A SG GLU 122.A O no hydrogen 3.964 N/A THR 128.A OG1 CYS 175.A O no hydrogen 2.355 N/A ASP 130.A N GLN 182.A OE1 no hydrogen 2.669 N/A SER 132.A OG ASP 130.A OD1 no hydrogen 2.279 N/A ARG 133.A N ASP 130.A O no hydrogen 3.207 N/A ILE 134.A N TRP 131.A O no hydrogen 2.941 N/A LEU 135.A N TRP 131.A O no hydrogen 2.536 N/A SER 137.A OG GLU 139.A OE1 no hydrogen 2.391 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.560 N/A ASN 141.A ND2 VAL 115.A O no hydrogen 2.477 N/A VAL 144.A N ILE 117.A O no hydrogen 3.074 N/A ASN 146.A N ASP 149.A OD1 no hydrogen 3.307 N/A ASP 149.A N ASP 149.A OD1 no hydrogen 2.447 N/A GLU 151.A N LYS 147.A O no hydrogen 3.367 N/A CYS 153.A SG GLY 154.A O no hydrogen 3.979 N/A VAL 156.A N TYR 125.A OH no hydrogen 3.355 N/A CYS 157.A SG ASP 155.A O no hydrogen 3.573 N/A GLY 159.A N CYS 157.A O no hydrogen 2.545 N/A CYS 162.A SG PRO 158.A O no hydrogen 3.374 N/A THR 165.A N VAL 172.A O no hydrogen 2.800 N/A THR 165.A OG1 ASP 130.A OD2 no hydrogen 3.306 N/A ILE 167.A N GLN 170.A O no hydrogen 3.351 N/A GLN 170.A NE2 PHE 171.A O no hydrogen 3.653 N/A GLN 170.A NE2 SER 628.A O no hydrogen 2.433 N/A VAL 172.A N THR 165.A O no hydrogen 2.643 N/A ARG 174.A N PRO 163.A O no hydrogen 2.556 N/A ARG 174.A NH1 GLU 173.A O no hydrogen 3.143 N/A CYS 175.A N THR 128.A O no hydrogen 2.844 N/A CYS 175.A SG THR 128.A OG1 no hydrogen 3.225 N/A CYS 175.A SG VAL 156.A O no hydrogen 3.399 N/A CYS 175.A SG THR 177.A O no hydrogen 3.444 N/A TRP 176.A N HIS 180.A O no hydrogen 2.746 N/A THR 177.A N HIS 180.A O no hydrogen 3.183 N/A SER 179.A N THR 177.A OG1 no hydrogen 3.306 N/A CYS 181.A SG PRO 158.A O no hydrogen 3.984 N/A GLN 182.A N ARG 174.A O no hydrogen 3.114 N/A GLN 182.A NE2 ASP 130.A O no hydrogen 2.858 N/A LYS 183.A NZ LYS 183.A O no hydrogen 2.727 N/A CYS 185.A SG CYS 189.A O no hydrogen 3.063 N/A LYS 190.A N ILE 188.A O no hydrogen 2.866 N/A LYS 190.A NZ ILE 188.A O no hydrogen 3.513 N/A HIS 192.A ND1 CYS 201.A O no hydrogen 2.614 N/A THR 195.A N LEU 199.A O no hydrogen 3.377 N/A ALA 196.A N THR 195.A OG1 no hydrogen 2.591 N/A GLY 198.A N THR 195.A O no hydrogen 2.995 N/A CYS 201.A N GLY 193.A O no hydrogen 2.766 N/A CYS 201.A SG GLY 193.A O no hydrogen 3.209 N/A CYS 201.A SG LEU 199.A O no hydrogen 3.946 N/A GLU 204.A N HIS 202.A ND1 no hydrogen 3.081 N/A CYS 205.A SG ASP 214.A O no hydrogen 3.221 N/A ASN 208.A N LEU 206.A O no hydrogen 2.769 N/A CYS 209.A N ASN 208.A OD1 no hydrogen 2.737 N/A SER 210.A N LYS 217.A O no hydrogen 2.673 N/A SER 210.A OG LYS 217.A O no hydrogen 3.276 N/A THR 216.A N ASP 214.A OD1 no hydrogen 3.223 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 2.530 N/A LYS 217.A N ASP 214.A O no hydrogen 3.040 N/A LYS 217.A NZ GLU 211.A OE1 no hydrogen 3.194 N/A LYS 217.A NZ GLU 211.A OE2 no hydrogen 3.289 N/A CYS 218.A SG ASP 214.A O no hydrogen 3.184 N/A CYS 218.A SG PRO 215.A O no hydrogen 3.549 N/A CYS 221.A SG TYR 1.A OH no hydrogen 3.242 N/A CYS 221.A SG GLN 229.A O no hydrogen 3.760 N/A ARG 222.A N GLU 204.A O no hydrogen 2.736 N/A ARG 222.A NH2 SER 191.A OG no hydrogen 3.008 N/A LEU 226.A N GLN 229.A O no hydrogen 2.697 N/A GLY 228.A N TYR 225.A OH no hydrogen 3.180 N/A GLN 229.A N LEU 226.A O no hydrogen 3.022 N/A CYS 230.A SG TYR 1.A OH no hydrogen 3.134 N/A CYS 230.A SG PRO 215.A O no hydrogen 4.003 N/A VAL 231.A N PHE 224.A O no hydrogen 2.682 N/A THR 233.A OG1 HIS 240.A NE2 no hydrogen 3.216 N/A CYS 234.A SG ARG 245.A O no hydrogen 3.450 N/A TYR 238.A N PRO 235.A O no hydrogen 2.872 N/A TYR 239.A N VAL 247.A O no hydrogen 2.467 N/A HIS 240.A N ASN 272.A O no hydrogen 2.723 N/A HIS 240.A ND1 ASN 272.A O no hydrogen 2.671 N/A HIS 240.A NE2 THR 233.A OG1 no hydrogen 3.216 N/A PHE 241.A N ARG 245.A O no hydrogen 2.602 N/A TRP 244.A N PHE 241.A O no hydrogen 3.284 N/A ARG 245.A N PHE 241.A O no hydrogen 3.088 N/A ARG 245.A NE GLU 28.A OE2 no hydrogen 3.099 N/A ARG 245.A NH2 GLU 28.A OE2 no hydrogen 2.865 N/A CYS 246.A N TYR 225.A O no hydrogen 3.224 N/A CYS 246.A SG TYR 225.A O no hydrogen 3.836 N/A VAL 247.A N TYR 239.A O no hydrogen 2.895 N/A GLN 253.A N PHE 249.A O no hydrogen 2.622 N/A ASP 254.A N SER 250.A O no hydrogen 2.759 N/A LEU 255.A N PHE 251.A O no hydrogen 2.768 N/A HIS 256.A N CYS 252.A O no hydrogen 3.031 N/A HIS 256.A ND1 TYR 267.A O no hydrogen 2.701 N/A PHE 257.A N GLN 253.A O no hydrogen 2.723 N/A LYS 258.A N ASP 254.A O no hydrogen 2.629 N/A CYS 259.A N LEU 255.A O no hydrogen 3.060 N/A CYS 259.A SG GLN 266.A OE1 no hydrogen 3.417 N/A ARG 260.A N HIS 256.A O no hydrogen 2.891 N/A ARG 260.A NH1 GLN 266.A OE1 no hydrogen 3.349 N/A ASN 261.A N PHE 257.A O no hydrogen 3.419 N/A SER 262.A N CYS 259.A O no hydrogen 3.451 N/A ARG 263.A N SER 262.A OG no hydrogen 2.644 N/A CYS 264.A SG CYS 259.A O no hydrogen 3.271 N/A GLN 266.A NE2 HIS 256.A O no hydrogen 2.156 N/A VAL 268.A N ILE 275.A O no hydrogen 3.320 N/A ILE 269.A N LEU 289.A O no hydrogen 3.075 N/A HIS 270.A N LYS 273.A O no hydrogen 2.901 N/A GLY 281.A N PRO 297.A O no hydrogen 2.530 N/A TYR 282.A N PRO 279.A O no hydrogen 3.168 N/A THR 283.A N THR 292.A O no hydrogen 2.445 N/A THR 283.A OG1 TYR 282.A O no hydrogen 2.752 N/A ASN 285.A N MET 290.A O no hydrogen 2.800 N/A MET 290.A N ASN 288.A OD1 no hydrogen 3.293 N/A CYS 291.A N ILE 269.A O no hydrogen 3.272 N/A CYS 291.A SG ILE 269.A O no hydrogen 3.760 N/A CYS 291.A SG LEU 289.A O no hydrogen 3.971 N/A CYS 294.A SG GLY 296.A O no hydrogen 3.090 N/A CYS 298.A SG TYR 282.A O no hydrogen 3.231 N/A CYS 298.A SG THR 283.A OG1 no hydrogen 3.711 N/A CYS 302.A SG GLU 317.A O no hydrogen 3.238 N/A CYS 302.A SG GLU 317.A OE1 no hydrogen 3.390 N/A GLN 303.A N GLN 303.A OE1 no hydrogen 2.483 N/A ILE 304.A N CYS 302.A O no hydrogen 2.686 N/A LYS 307.A NZ THR 308.A O no hydrogen 2.221 N/A LYS 307.A NZ SER 314.A O no hydrogen 3.154 N/A LYS 307.A NZ SER 314.A OG no hydrogen 2.367 N/A THR 308.A OG1 ILE 329.A O no hydrogen 2.885 N/A SER 311.A OG THR 313.A OG1 no hydrogen 3.124 N/A THR 313.A OG1 SER 311.A OG no hydrogen 3.124 N/A SER 314.A OG THR 308.A O no hydrogen 2.747 N/A ALA 315.A N VAL 312.A O no hydrogen 2.958 N/A GLN 316.A N THR 313.A O no hydrogen 3.233 N/A ARG 319.A N GLN 316.A O no hydrogen 3.373 N/A ARG 319.A NH1 ALA 315.A O no hydrogen 2.938 N/A CYS 321.A N LEU 318.A O no hydrogen 3.238 N/A CYS 321.A SG GLU 317.A O no hydrogen 3.354 N/A THR 322.A N LYS 300.A O no hydrogen 3.076 N/A THR 322.A OG1 LYS 300.A O no hydrogen 3.485 N/A ILE 324.A N GLU 347.A O no hydrogen 2.886 N/A ASN 325.A N CYS 302.A O no hydrogen 3.225 N/A SER 327.A N GLY 305.A O no hydrogen 2.568 N/A SER 327.A OG THR 376.A OG1 no hydrogen 2.444 N/A LEU 328.A N PHE 351.A O no hydrogen 3.007 N/A ILE 329.A N LYS 307.A O no hydrogen 3.410 N/A ILE 330.A N LYS 353.A O no hydrogen 3.081 N/A ASN 331.A N ILE 309.A O no hydrogen 3.175 N/A ILE 332.A N SER 357.A OG no hydrogen 3.021 N/A ARG 333.A N ASP 310.A OD1 no hydrogen 2.452 N/A ARG 333.A NH1 ARG 356.A O no hydrogen 2.263 N/A ARG 333.A NH1 GLN 390.A OE1 no hydrogen 3.455 N/A ALA 335.A N GLU 337.A OE1 no hydrogen 3.046 N/A ALA 335.A N GLU 337.A OE2 no hydrogen 2.900 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.404 N/A GLU 339.A N ALA 335.A O no hydrogen 3.385 N/A ALA 340.A N ALA 336.A O no hydrogen 2.532 N/A ASN 341.A N GLU 337.A O no hydrogen 2.509 N/A LEU 342.A N LEU 338.A O no hydrogen 2.621 N/A GLU 346.A N THR 322.A O no hydrogen 2.546 N/A GLU 347.A N THR 322.A O no hydrogen 3.381 N/A SER 349.A N ILE 324.A O no hydrogen 2.493 N/A SER 349.A OG GLY 326.A O no hydrogen 2.878 N/A PHE 351.A N SER 327.A OG no hydrogen 2.684 N/A LEU 352.A N SER 383.A O no hydrogen 2.663 N/A LYS 353.A N LEU 328.A O no hydrogen 3.036 N/A LYS 353.A NZ GLU 378.A OE2 no hydrogen 3.464 N/A ILE 354.A N TYR 385.A O no hydrogen 2.561 N/A ARG 356.A N LEU 387.A O no hydrogen 2.715 N/A SER 357.A OG ILE 332.A O no hydrogen 3.443 N/A SER 357.A OG ARG 355.A O no hydrogen 3.312 N/A SER 362.A OG GLN 394.A O no hydrogen 2.605 N/A LEU 363.A N GLN 394.A O no hydrogen 3.409 N/A PHE 366.A N LEU 363.A O no hydrogen 3.213 N/A ARG 367.A NE GLU 339.A OE2 no hydrogen 2.478 N/A ARG 367.A NH2 GLU 339.A OE2 no hydrogen 2.830 N/A LYS 368.A N GLY 343.A O no hydrogen 2.764 N/A HIS 370.A N GLU 346.A O no hydrogen 3.056 N/A HIS 370.A ND1 ASN 402.A O no hydrogen 2.705 N/A LEU 371.A N GLU 346.A O no hydrogen 3.208 N/A ILE 372.A N THR 404.A O no hydrogen 2.684 N/A ARG 373.A N GLU 347.A OE2 no hydrogen 3.254 N/A GLU 375.A N SER 349.A O no hydrogen 3.303 N/A THR 376.A OG1 SER 327.A OG no hydrogen 2.444 N/A GLU 378.A N TYR 382.A O no hydrogen 2.560 N/A TYR 382.A N GLU 378.A O no hydrogen 2.776 N/A TYR 382.A OH ASP 440.A OD1 no hydrogen 2.284 N/A SER 383.A OG LYS 409.A O no hydrogen 3.256 N/A PHE 384.A N LYS 409.A O no hydrogen 3.350 N/A LEU 387.A N ILE 354.A O no hydrogen 3.078 N/A ASP 388.A N HIS 413.A O no hydrogen 3.014 N/A ASN 389.A N ASN 415.A OD1 no hydrogen 3.415 N/A GLN 390.A N SER 357.A O no hydrogen 3.446 N/A GLN 390.A NE2 ASP 388.A O no hydrogen 2.268 N/A ASN 391.A ND2 TYR 358.A O no hydrogen 2.353 N/A ARG 393.A N VAL 361.A O no hydrogen 2.812 N/A GLN 394.A N VAL 361.A O no hydrogen 3.454 N/A GLN 394.A NE2 GLU 501.A O no hydrogen 2.540 N/A TRP 396.A NE1 PHE 366.A O no hydrogen 2.822 N/A SER 399.A N ASP 397.A OD1 no hydrogen 3.301 N/A SER 399.A OG ASP 397.A OD1 no hydrogen 2.485 N/A SER 399.A OG ASP 397.A OD2 no hydrogen 2.973 N/A LYS 400.A N ASP 397.A O no hydrogen 2.943 N/A HIS 401.A N ASP 397.A O no hydrogen 2.567 N/A THR 404.A OG1 HIS 370.A O no hydrogen 3.323 N/A ILE 405.A N SER 430.A O no hydrogen 3.288 N/A THR 406.A N ILE 372.A O no hydrogen 2.880 N/A THR 406.A OG1 ILE 372.A O no hydrogen 3.546 N/A GLN 407.A NE2 GLU 375.A OE1 no hydrogen 2.827 N/A LYS 409.A N ASN 381.A O no hydrogen 3.359 N/A LYS 409.A NZ GLY 380.A O no hydrogen 2.883 N/A LYS 409.A NZ GLU 437.A OE2 no hydrogen 3.414 N/A PHE 412.A N ASP 440.A O no hydrogen 3.370 N/A HIS 413.A N ALA 386.A O no hydrogen 2.856 N/A HIS 413.A NE2 ASP 440.A O no hydrogen 2.645 N/A TYR 414.A N THR 445.A OG1 no hydrogen 2.943 N/A ASN 415.A N THR 445.A O no hydrogen 3.199 N/A LEU 418.A N ASN 415.A O no hydrogen 3.043 N/A CYS 419.A SG SER 421.A OG no hydrogen 3.212 N/A GLU 422.A N CYS 419.A O no hydrogen 3.034 N/A HIS 424.A N LEU 420.A O no hydrogen 2.512 N/A LYS 425.A N SER 421.A O no hydrogen 2.453 N/A MET 426.A N ILE 423.A O no hydrogen 2.964 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.557 N/A VAL 429.A N LYS 425.A O no hydrogen 3.007 N/A SER 430.A N MET 426.A O no hydrogen 2.443 N/A SER 430.A OG MET 426.A O no hydrogen 2.434 N/A SER 430.A OG THR 432.A OG1 no hydrogen 2.950 N/A THR 432.A N GLU 427.A O no hydrogen 2.792 N/A THR 432.A OG1 SER 430.A OG no hydrogen 2.950 N/A ARG 435.A NH1 ILE 405.A O no hydrogen 2.340 N/A ARG 435.A NH2 ILE 405.A O no hydrogen 2.964 N/A GLN 436.A NE2 THR 432.A O no hydrogen 2.464 N/A GLU 437.A N ASP 440.A OD2 no hydrogen 2.630 N/A ASP 440.A N GLU 437.A O no hydrogen 3.304 N/A ALA 442.A N PHE 412.A O no hydrogen 2.947 N/A THR 445.A OG1 ALA 442.A O no hydrogen 3.423 N/A THR 445.A OG1 ASN 446.A OD1 no hydrogen 3.281 N/A ASN 446.A ND2 PHE 412.A O no hydrogen 2.539 N/A GLY 447.A N ASN 415.A O no hydrogen 2.467 N/A GLN 449.A N PRO 416.A O no hydrogen 2.352 N/A ALA 450.A N GLY 447.A O no hydrogen 3.407 N/A SER 451.A OG THR 551.A OG1 no hydrogen 2.646 N/A GLU 453.A N SER 451.A O no hydrogen 3.008 N/A SER 460.A N ARG 472.A O no hydrogen 2.369 N/A SER 460.A OG HIS 521.A ND1 no hydrogen 3.130 N/A PHE 461.A N ARG 472.A O no hydrogen 2.878 N/A ARG 463.A N LEU 470.A O no hydrogen 2.748 N/A SER 465.A N LYS 468.A O no hydrogen 2.666 N/A ILE 469.A N MET 526.A O no hydrogen 2.979 N/A LEU 470.A N ARG 463.A O no hydrogen 2.758 N/A LEU 471.A N TRP 524.A O no hydrogen 2.389 N/A GLU 474.A N LYS 458.A O no hydrogen 2.935 N/A ARG 482.A NE ASP 480.A OD1 no hydrogen 3.388 N/A ARG 482.A NH1 ASP 655.A OD1 no hydrogen 2.691 N/A ARG 482.A NH2 ASP 480.A OD1 no hydrogen 3.522 N/A ARG 482.A NH2 ASP 480.A OD2 no hydrogen 3.477 N/A ARG 482.A NH2 ASP 655.A OD1 no hydrogen 3.029 N/A ASP 483.A N ASP 480.A O no hydrogen 3.118 N/A LEU 484.A N PHE 481.A O no hydrogen 3.186 N/A LEU 485.A N LEU 542.A O no hydrogen 3.092 N/A PHE 487.A N ILE 514.A O no hydrogen 2.941 N/A MET 488.A N LYS 540.A O no hydrogen 2.429 N/A LEU 489.A N VAL 512.A O no hydrogen 2.952 N/A PHE 490.A N PHE 538.A O no hydrogen 2.878 N/A LYS 492.A N ALA 536.A O no hydrogen 3.035 N/A GLU 493.A N GLU 493.A OE1 no hydrogen 2.392 N/A ALA 494.A N GLN 534.A O no hydrogen 2.918 N/A VAL 499.A N TYR 560.A OH no hydrogen 2.620 N/A SER 506.A OG ASN 507.A OD1 no hydrogen 2.665 N/A ASN 507.A N SER 506.A OG no hydrogen 2.474 N/A TRP 509.A N SER 508.A OG no hydrogen 2.603 N/A VAL 512.A N LEU 489.A O no hydrogen 3.248 N/A ILE 514.A N PHE 487.A O no hydrogen 2.924 N/A HIS 521.A ND1 TRP 473.A O no hydrogen 2.644 N/A TRP 524.A N LEU 471.A O no hydrogen 2.730 N/A MET 526.A N ILE 469.A O no hydrogen 2.358 N/A LEU 529.A N ASP 467.A O no hydrogen 2.625 N/A TRP 532.A N ASP 564.A O no hydrogen 2.643 N/A THR 533.A OG1 LYS 530.A O no hydrogen 2.705 N/A THR 533.A OG1 PRO 531.A O no hydrogen 3.270 N/A TYR 535.A N VAL 561.A O no hydrogen 2.318 N/A ALA 536.A N LYS 492.A O no hydrogen 2.653 N/A ILE 537.A N ILE 559.A O no hydrogen 2.756 N/A PHE 538.A N PHE 490.A O no hydrogen 2.973 N/A VAL 539.A N SER 556.A OG no hydrogen 2.246 N/A LYS 540.A N MET 488.A O no hydrogen 2.617 N/A THR 541.A N ALA 554.A O no hydrogen 3.310 N/A THR 541.A OG1 ALA 554.A O no hydrogen 2.471 N/A LEU 542.A N GLY 486.A O no hydrogen 2.930 N/A THR 544.A OG1 LEU 644.A O no hydrogen 3.424 N/A THR 544.A OG1 SER 647.A OG no hydrogen 3.359 N/A SER 546.A N ARG 550.A O no hydrogen 3.032 N/A SER 546.A OG ARG 550.A O no hydrogen 3.026 N/A ARG 549.A N SER 546.A O no hydrogen 3.104 N/A ARG 549.A NH1 GLN 449.A OE1 no hydrogen 2.634 N/A THR 551.A OG1 SER 451.A OG no hydrogen 2.646 N/A GLY 553.A N SER 451.A OG no hydrogen 3.016 N/A ALA 554.A N THR 541.A OG1 no hydrogen 2.549 N/A LYS 555.A N GLU 455.A O no hydrogen 3.096 N/A SER 556.A N VAL 539.A O no hydrogen 3.089 N/A SER 556.A OG VAL 539.A O no hydrogen 2.830 N/A ILE 559.A N ILE 537.A O no hydrogen 2.664 N/A VAL 561.A N TYR 535.A O no hydrogen 2.606 N/A THR 563.A N THR 533.A O no hydrogen 2.773 N/A THR 563.A OG1 SER 465.A O no hydrogen 2.311 N/A THR 563.A OG1 ASP 564.A OD1 no hydrogen 3.423 N/A THR 566.A N ASN 595.A O no hydrogen 3.272 N/A ASN 567.A N THR 566.A OG1 no hydrogen 2.637 N/A ASN 567.A ND2 CYS 706.A O no hydrogen 3.077 N/A SER 569.A N ASP 593.A O no hydrogen 2.639 N/A SER 569.A OG VAL 570.A O no hydrogen 3.368 N/A SER 569.A OG SER 592.A OG no hydrogen 2.925 N/A LEU 572.A N LYS 589.A O no hydrogen 2.679 N/A ILE 575.A N LYS 587.A O no hydrogen 2.546 N/A VAL 577.A N ILE 585.A O no hydrogen 2.673 N/A SER 578.A OG ARG 715.A O no hydrogen 3.525 N/A ASN 579.A N ASN 579.A OD1 no hydrogen 2.584 N/A SER 580.A N GLN 583.A O no hydrogen 3.232 N/A SER 581.A OG GLU 719.A OE2 no hydrogen 2.543 N/A SER 582.A OG GLN 583.A OE1 no hydrogen 3.525 N/A SER 582.A OG LEU 684.A O no hydrogen 3.491 N/A GLN 583.A N SER 580.A O no hydrogen 3.119 N/A GLN 583.A NE2 SER 682.A OG no hydrogen 2.422 N/A ILE 584.A N ILE 681.A O no hydrogen 2.729 N/A ILE 585.A N VAL 577.A O no hydrogen 2.523 N/A LEU 586.A N LEU 679.A O no hydrogen 2.273 N/A LYS 587.A N ILE 575.A O no hydrogen 2.775 N/A LYS 587.A NZ TRP 588.A O no hydrogen 2.281 N/A LYS 587.A NZ GLU 677.A O no hydrogen 3.532 N/A TRP 588.A N GLU 677.A O no hydrogen 3.126 N/A LYS 589.A N LEU 572.A O no hydrogen 2.350 N/A LYS 589.A NZ ASP 573.A OD2 no hydrogen 3.017 N/A SER 592.A OG SER 569.A OG no hydrogen 2.925 N/A SER 592.A OG ASP 593.A OD2 no hydrogen 3.567 N/A THR 599.A N CYS 697.A O no hydrogen 2.948 N/A THR 599.A OG1 HIS 600.A ND1 no hydrogen 2.809 N/A THR 599.A OG1 CYS 697.A O no hydrogen 2.619 N/A HIS 600.A N CYS 697.A O no hydrogen 2.960 N/A HIS 600.A NE2 GLU 704.A OE1 no hydrogen 2.588 N/A TYR 601.A N VAL 673.A O no hydrogen 2.439 N/A TYR 601.A OH GLU 677.A OE1 no hydrogen 2.873 N/A LEU 602.A N GLN 695.A O no hydrogen 2.634 N/A VAL 603.A N GLU 671.A O no hydrogen 3.113 N/A TYR 604.A N GLU 693.A O no hydrogen 2.462 N/A TRP 605.A N PRO 669.A O no hydrogen 3.220 N/A GLU 606.A N ARG 691.A O no hydrogen 2.751 N/A GLN 608.A N GLY 689.A O no hydrogen 2.443 N/A GLU 613.A N GLU 613.A OE1 no hydrogen 2.547 N/A GLU 616.A N GLU 613.A O no hydrogen 3.149 N/A LEU 617.A N GLU 613.A O no hydrogen 2.810 N/A LEU 617.A N LEU 614.A O no hydrogen 3.375 N/A CYS 620.A N ASP 618.A OD1 no hydrogen 3.121 N/A CYS 633.A SG CYS 631.A O no hydrogen 3.956 N/A LYS 635.A NZ THR 636.A O no hydrogen 3.390 N/A THR 636.A N GLN 639.A OE1 no hydrogen 3.247 N/A THR 636.A OG1 SER 638.A OG no hydrogen 3.072 N/A THR 636.A OG1 GLN 639.A OE1 no hydrogen 2.388 N/A SER 638.A OG THR 636.A OG1 no hydrogen 3.072 N/A ILE 640.A N THR 636.A O no hydrogen 3.136 N/A LEU 641.A N ASP 637.A O no hydrogen 2.702 N/A LYS 642.A N GLN 639.A O no hydrogen 2.683 N/A GLU 643.A N GLU 643.A OE1 no hydrogen 2.808 N/A LEU 644.A N ILE 640.A O no hydrogen 3.413 N/A GLU 645.A N LEU 641.A O no hydrogen 3.381 N/A GLU 646.A N LYS 642.A O no hydrogen 2.513 N/A SER 647.A N GLU 643.A O no hydrogen 2.560 N/A SER 647.A OG THR 544.A OG1 no hydrogen 3.359 N/A SER 647.A OG GLU 643.A O no hydrogen 3.372 N/A SER 647.A OG LEU 644.A O no hydrogen 2.256 N/A SER 648.A N LEU 644.A O no hydrogen 3.275 N/A SER 648.A OG GLU 645.A O no hydrogen 2.300 N/A PHE 649.A N GLU 645.A O no hydrogen 2.605 N/A ARG 650.A N GLU 646.A O no hydrogen 2.932 N/A ARG 650.A NH1 GLU 646.A OE1 no hydrogen 2.861 N/A ARG 650.A NH2 GLU 646.A OE1 no hydrogen 3.567 N/A LYS 651.A N SER 647.A O no hydrogen 2.602 N/A LYS 651.A NZ ASP 655.A OD2 no hydrogen 2.341 N/A THR 652.A N SER 648.A O no hydrogen 2.653 N/A THR 652.A OG1 SER 648.A O no hydrogen 3.237 N/A THR 652.A OG1 PHE 649.A O no hydrogen 3.229 N/A GLU 654.A N ARG 650.A O no hydrogen 3.198 N/A ASP 655.A N LYS 651.A O no hydrogen 2.806 N/A TYR 656.A N THR 652.A O no hydrogen 2.540 N/A LEU 657.A N PHE 653.A O no hydrogen 3.056 N/A HIS 658.A N GLU 654.A O no hydrogen 3.266 N/A VAL 660.A N TYR 656.A O no hydrogen 3.089 N/A VAL 661.A N LEU 657.A O no hydrogen 2.741 N/A PHE 662.A N HIS 658.A O no hydrogen 2.865 N/A ARG 668.A NH1 GLU 606.A OE1 no hydrogen 2.986 N/A GLU 671.A N VAL 603.A O no hydrogen 2.694 N/A VAL 673.A N TYR 601.A O no hydrogen 3.070 N/A LEU 679.A N LEU 586.A O no hydrogen 2.464 N/A ILE 681.A N ILE 584.A O no hydrogen 2.525 N/A LEU 684.A N SER 582.A OG no hydrogen 2.977 N/A ARG 685.A NH1 PRO 749.A O no hydrogen 3.410 N/A HIS 686.A NE2 PRO 749.A O no hydrogen 2.546 N/A THR 688.A OG1 ARG 685.A O no hydrogen 2.821 N/A THR 688.A OG1 HIS 686.A O no hydrogen 3.033 N/A GLY 689.A N GLU 610.A OE2 no hydrogen 3.227 N/A TYR 690.A N ALA 714.A O no hydrogen 2.433 N/A ARG 691.A N GLU 606.A O no hydrogen 2.673 N/A ILE 692.A N VAL 712.A O no hydrogen 2.676 N/A GLU 693.A N TYR 604.A O no hydrogen 2.549 N/A LEU 694.A N ALA 710.A O no hydrogen 2.853 N/A GLN 695.A N LEU 602.A O no hydrogen 2.584 N/A CYS 697.A N HIS 600.A O no hydrogen 3.258 N/A CYS 697.A SG GLU 704.A OE1 no hydrogen 3.513 N/A ASN 698.A N ARG 705.A O no hydrogen 3.146 N/A ASN 698.A ND2 THR 566.A O no hydrogen 2.260 N/A ASN 698.A ND2 ASN 595.A O no hydrogen 2.380 N/A SER 701.A N ASP 700.A OD1 no hydrogen 2.509 N/A ASP 703.A N SER 701.A O no hydrogen 2.938 N/A ARG 705.A NH2 ASN 698.A O no hydrogen 2.678 N/A CYS 706.A SG GLU 704.A OE1 no hydrogen 3.481 N/A SER 707.A N ALA 696.A O no hydrogen 2.700 N/A SER 707.A OG VAL 708.A O no hydrogen 3.354 N/A ALA 710.A N LEU 694.A O no hydrogen 2.516 N/A VAL 712.A N ILE 692.A O no hydrogen 3.163 N/A ALA 714.A N TYR 690.A O no hydrogen 2.520 N/A ARG 715.A NH1 GLU 610.A OE2 no hydrogen 2.950 N/A ARG 715.A NH1 PHE 687.A O no hydrogen 2.450 N/A ARG 715.A NH2 GLU 610.A OE1 no hydrogen 2.687 N/A ARG 715.A NH2 GLU 610.A OE2 no hydrogen 3.108 N/A THR 716.A OG1 SER 581.A O no hydrogen 3.167 N/A THR 716.A OG1 ARG 685.A O no hydrogen 2.766 N/A THR 730.A N MET 742.A O no hydrogen 2.807 N/A GLU 732.A N HIS 740.A O no hydrogen 3.102 N/A PHE 734.A N VAL 738.A O no hydrogen 2.739 N/A ASN 737.A N PHE 734.A O no hydrogen 3.339 N/A ASN 737.A ND2 LEU 788.A O no hydrogen 3.026 N/A VAL 739.A N LEU 785.A O no hydrogen 2.764 N/A HIS 740.A N GLU 732.A O no hydrogen 3.162 N/A LEU 741.A N CYS 783.A O no hydrogen 2.700 N/A MET 742.A N THR 730.A O no hydrogen 2.653 N/A ASN 750.A ND2 GLU 719.A O no hydrogen 2.906 N/A VAL 754.A N THR 800.A O no hydrogen 3.008 N/A TYR 756.A N VAL 772.A O no hydrogen 2.967 N/A TYR 756.A OH GLU 745.A OE1 no hydrogen 2.224 N/A GLU 757.A N ARG 798.A O no hydrogen 2.820 N/A VAL 758.A N LEU 770.A O no hydrogen 2.616 N/A SER 759.A N ARG 796.A O no hydrogen 2.735 N/A ARG 761.A NE ASP 765.A O no hydrogen 2.886 N/A ARG 762.A NE TYR 763.A O no hydrogen 3.198 N/A TYR 763.A N ASN 792.A O no hydrogen 2.631 N/A ASP 765.A N ARG 762.A O no hydrogen 2.914 N/A GLU 767.A N GLU 767.A OE1 no hydrogen 2.764 N/A LEU 768.A N TYR 760.A O no hydrogen 2.696 N/A LEU 770.A N VAL 758.A O no hydrogen 2.572 N/A VAL 772.A N TYR 756.A O no hydrogen 2.815 N/A SER 773.A OG ASP 618.A OD2 no hydrogen 3.254 N/A LYS 775.A NZ GLU 616.A O no hydrogen 2.798 N/A HIS 776.A N SER 773.A OG no hydrogen 2.816 N/A PHE 777.A N SER 773.A O no hydrogen 2.593 N/A ALA 778.A N ARG 774.A O no hydrogen 2.801 N/A LEU 779.A N LYS 775.A O no hydrogen 2.552 N/A GLU 780.A N HIS 776.A O no hydrogen 2.843 N/A ARG 781.A NE ALA 778.A O no hydrogen 3.532 N/A GLY 782.A N PHE 777.A O no hydrogen 3.331 N/A CYS 783.A N LEU 741.A O no hydrogen 3.194 N/A LEU 785.A N VAL 739.A O no hydrogen 2.768 N/A LEU 788.A N ASN 737.A O no hydrogen 2.907 N/A SER 789.A OG TYR 793.A OH no hydrogen 2.429 N/A GLY 791.A N VAL 816.A O no hydrogen 2.502 N/A TYR 793.A N PHE 814.A O no hydrogen 3.151 N/A TYR 793.A OH SER 789.A OG no hydrogen 2.429 N/A VAL 797.A N THR 809.A OG1 no hydrogen 2.795 N/A ARG 798.A N GLU 757.A O no hydrogen 2.728 N/A ARG 798.A NE GLU 757.A OE2 no hydrogen 2.351 N/A THR 800.A N LEU 755.A O no hydrogen 3.010 N/A THR 800.A OG1 ASN 805.A OD1 no hydrogen 2.347 N/A SER 801.A N GLY 804.A O no hydrogen 2.695 N/A SER 801.A OG GLY 804.A O no hydrogen 3.550 N/A LEU 802.A N LEU 752.A O no hydrogen 2.933 N/A ALA 803.A N SER 801.A OG no hydrogen 3.201 N/A GLY 804.A N SER 801.A O no hydrogen 2.970 N/A THR 809.A OG1 VAL 795.A O no hydrogen 3.429 N/A THR 812.A OG1 GLU 810.A O no hydrogen 3.351 N/A VAL 816.A N GLY 791.A O no hydrogen 2.410 N/A