Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pns_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A NE2 LEU 8.A O no hydrogen 3.216 N/A VAL 15.A N ILE 11.A O no hydrogen 2.768 N/A GLN 17.A N GLN 13.A O no hydrogen 3.355 N/A VAL 18.A N LYS 14.A O no hydrogen 2.790 N/A GLN 19.A N VAL 15.A O no hydrogen 2.940 N/A ALA 20.A N ARG 16.A O no hydrogen 3.356 N/A ASP 21.A N GLN 17.A O no hydrogen 3.284 N/A TYR 22.A N VAL 18.A O no hydrogen 3.278 N/A MET 23.A N GLN 19.A O no hydrogen 3.285 N/A THR 24.A N ALA 20.A O no hydrogen 3.294 N/A ALA 25.A N TYR 22.A O no hydrogen 2.890 N/A ARG 27.A N MET 23.A O no hydrogen 3.337 N/A THR 32.A OG1 ASP 30.A OD1 no hydrogen 3.146 N/A VAL 36.A N VAL 33.A O no hydrogen 3.113 N/A GLN 37.A N VAL 33.A O no hydrogen 3.370 N/A LYS 38.A N PRO 34.A O no hydrogen 3.224 N/A LEU 40.A N VAL 36.A O no hydrogen 2.805 N/A ASP 41.A N GLN 37.A O no hydrogen 3.190 N/A LEU 46.A N ILE 43.A O no hydrogen 3.153 N/A ALA 47.A N LYS 44.A O no hydrogen 3.356 N/A GLU 49.A N LEU 46.A O no hydrogen 3.410 N/A GLN 50.A NE2 TYR 52.A O no hydrogen 3.557 N/A VAL 55.A N ILE 116.A O no hydrogen 3.205 N/A SER 59.A OG ILE 60.A O no hydrogen 3.523 N/A SER 61.A N GLY 137.A O no hydrogen 2.742 N/A PHE 62.A N GLY 137.A O no hydrogen 3.166 N/A ARG 63.A N VAL 76.A O no hydrogen 3.141 N/A ILE 65.A N LEU 74.A O no hydrogen 2.985 N/A GLN 68.A NE2 VAL 802.A O no hydrogen 3.619 N/A SER 69.A OG ARG 694.A O no hydrogen 3.275 N/A SER 69.A OG GLN 695.A O no hydrogen 2.484 N/A SER 69.A OG GLN 695.A OE1 no hydrogen 3.564 N/A VAL 73.A N VAL 833.A O no hydrogen 3.083 N/A LEU 74.A N ILE 65.A O no hydrogen 3.267 N/A ARG 75.A N GLU 831.A O no hydrogen 3.235 N/A ARG 75.A NH1 GLN 837.A O no hydrogen 2.854 N/A VAL 76.A N ARG 63.A O no hydrogen 2.717 N/A ASP 77.A N ILE 829.A O no hydrogen 3.089 N/A TYR 79.A N ASP 77.A O no hydrogen 2.652 N/A TYR 79.A OH ASP 668.A O no hydrogen 3.178 N/A TYR 80.A OH ASP 668.A OD1 no hydrogen 3.043 N/A GLU 82.A N TYR 79.A O no hydrogen 3.046 N/A MET 83.A N TYR 79.A O no hydrogen 2.769 N/A SER 84.A OG TYR 80.A O no hydrogen 2.917 N/A THR 91.A OG1 VAL 89.A O no hydrogen 3.561 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 3.020 N/A GLU 94.A N THR 91.A O no hydrogen 3.473 N/A LYS 97.A NZ GLU 94.A OE2 no hydrogen 3.373 N/A TYR 99.A N PRO 95.A O no hydrogen 3.182 N/A SER 100.A N GLU 96.A O no hydrogen 3.344 N/A THR 101.A N PHE 98.A O no hydrogen 3.424 N/A THR 101.A OG1 LYS 97.A O no hydrogen 2.536 N/A LYS 104.A NZ VAL 86.A O no hydrogen 3.098 N/A LYS 105.A N THR 101.A O no hydrogen 2.972 N/A LYS 105.A NZ MET 83.A O no hydrogen 3.522 N/A LYS 105.A NZ LEU 669.A O no hydrogen 3.172 N/A VAL 106.A N ILE 102.A O no hydrogen 2.516 N/A ARG 107.A N ILE 103.A O no hydrogen 3.244 N/A ILE 109.A N VAL 106.A O no hydrogen 2.940 N/A ARG 110.A N VAL 106.A O no hydrogen 3.340 N/A ARG 110.A NH1 GLU 656.A OE1 no hydrogen 2.913 N/A GLY 111.A N ARG 107.A O no hydrogen 3.281 N/A LYS 112.A N PHE 108.A O no hydrogen 3.080 N/A LYS 112.A N ILE 109.A O no hydrogen 3.297 N/A LYS 112.A NZ GLU 82.A OE1 no hydrogen 3.135 N/A GLY 113.A N ILE 109.A O no hydrogen 3.278 N/A SER 114.A OG VAL 51.A O no hydrogen 3.471 N/A SER 114.A OG ARG 110.A O no hydrogen 3.261 N/A SER 114.A OG SER 114.A O no hydrogen 2.410 N/A HIS 118.A N VAL 55.A O no hydrogen 3.212 N/A HIS 118.A NE2 MET 853.A O no hydrogen 3.024 N/A ASP 119.A N TYR 849.A O no hydrogen 3.429 N/A ARG 123.A N VAL 130.A O no hydrogen 2.991 N/A HIS 125.A N MET 128.A O no hydrogen 3.013 N/A MET 128.A N HIS 125.A O no hydrogen 3.349 N/A VAL 130.A N ARG 123.A O no hydrogen 2.772 N/A GLU 132.A N PRO 121.A O no hydrogen 3.364 N/A VAL 135.A N GLU 132.A O no hydrogen 3.050 N/A GLU 139.A N PHE 62.A O no hydrogen 3.114 N/A LYS 141.A NZ GLU 139.A OE2 no hydrogen 2.429 N/A ASN 142.A ND2 HIS 64.A O no hydrogen 3.358 N/A VAL 143.A N PHE 140.A O no hydrogen 3.255 N/A VAL 146.A N VAL 143.A O no hydrogen 3.308 N/A HIS 151.A N THR 148.A OG1 no hydrogen 3.295 N/A ARG 152.A N THR 148.A O no hydrogen 3.004 N/A ARG 152.A NE LEU 144.A O no hydrogen 3.505 N/A ALA 153.A N ALA 149.A O no hydrogen 3.410 N/A ILE 155.A N HIS 151.A O no hydrogen 3.336 N/A ASN 157.A N ALA 153.A O no hydrogen 2.706 N/A ALA 158.A N MET 154.A O no hydrogen 3.184 N/A SER 162.A OG SER 162.A O no hydrogen 2.359 N/A ILE 163.A N GLY 161.A O no hydrogen 2.889 N/A ILE 164.A N GLU 129.A O no hydrogen 2.960 N/A GLU 165.A N VAL 176.A O no hydrogen 3.106 N/A ASN 166.A ND2 GLU 129.A OE2 no hydrogen 3.368 N/A ASN 166.A ND2 ASP 175.A OD1 no hydrogen 3.124 N/A ASN 168.A ND2 ARG 172.A O no hydrogen 2.479 N/A THR 171.A OG1 ALA 170.A O no hydrogen 2.679 N/A ARG 172.A N VAL 169.A O no hydrogen 3.186 N/A ASP 175.A N ALA 848.A O no hydrogen 2.826 N/A VAL 176.A N GLU 165.A O no hydrogen 3.032 N/A PHE 177.A N PHE 846.A O no hydrogen 3.492 N/A GLY 179.A N ARG 844.A O no hydrogen 2.933 N/A SER 182.A OG ASP 77.A OD1 no hydrogen 3.428 N/A TYR 186.A N SER 182.A O no hydrogen 3.234 N/A TYR 186.A OH ARG 845.A O no hydrogen 2.933 N/A ARG 187.A NE GLU 658.A OE2 no hydrogen 3.006 N/A ARG 187.A NH2 GLU 658.A OE2 no hydrogen 2.670 N/A ILE 188.A N VAL 185.A O no hydrogen 3.222 N/A TYR 189.A N VAL 185.A O no hydrogen 3.379 N/A ASN 190.A N TYR 186.A O no hydrogen 2.893 N/A ARG 191.A N ILE 188.A O no hydrogen 3.109 N/A ARG 191.A NH1 ARG 191.A O no hydrogen 3.116 N/A LEU 192.A N ILE 188.A O no hydrogen 2.828 N/A GLN 193.A N TYR 189.A O no hydrogen 3.206 N/A TYR 195.A N LEU 192.A O no hydrogen 2.912 N/A TYR 195.A OH LEU 239.A O no hydrogen 3.274 N/A ILE 196.A N LEU 192.A O no hydrogen 3.097 N/A GLU 197.A N GLN 193.A O no hydrogen 3.122 N/A ALA 198.A N TYR 195.A O no hydrogen 3.182 N/A VAL 199.A N TYR 195.A O no hydrogen 3.030 N/A VAL 199.A N ILE 196.A O no hydrogen 3.321 N/A LEU 204.A N VAL 199.A O no hydrogen 3.016 N/A SER 207.A N GLU 203.A O no hydrogen 3.128 N/A SER 207.A OG GLU 203.A O no hydrogen 3.206 N/A ILE 208.A N LEU 204.A O no hydrogen 3.429 N/A TRP 210.A NE1 PRO 436.A O no hydrogen 2.929 N/A LEU 211.A N SER 207.A O no hydrogen 3.378 N/A GLU 212.A N ILE 208.A O no hydrogen 3.413 N/A LEU 214.A N LEU 211.A O no hydrogen 3.043 N/A GLY 215.A N LEU 211.A O no hydrogen 2.874 N/A ARG 217.A N LEU 214.A O no hydrogen 3.001 N/A ARG 217.A NE ASN 507.A O no hydrogen 3.198 N/A ARG 217.A NH2 ASN 507.A O no hydrogen 3.305 N/A LYS 218.A N LEU 214.A O no hydrogen 3.018 N/A LYS 218.A NZ HIS 511.A O no hydrogen 3.339 N/A ARG 219.A NH2 ARG 452.A O no hydrogen 3.296 N/A ILE 220.A N GLY 215.A O no hydrogen 3.244 N/A TYR 222.A OH GLU 566.A O no hydrogen 3.093 N/A SER 223.A N MET 864.A O no hydrogen 3.363 N/A THR 228.A OG1 THR 228.A O no hydrogen 2.652 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 3.215 N/A ASP 234.A N ASP 234.A OD1 no hydrogen 2.453 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.648 N/A THR 235.A OG1 ASP 234.A O no hydrogen 2.860 N/A ILE 236.A N ARG 854.A O no hydrogen 2.822 N/A TRP 237.A N GLN 200.A OE1 no hydrogen 3.040 N/A VAL 238.A N MET 856.A O no hydrogen 3.231 N/A GLN 242.A NE2 TYR 195.A OH no hydrogen 3.311 N/A LEU 243.A N SER 207.A OG no hydrogen 3.331 N/A VAL 249.A N ASN 246.A O no hydrogen 3.346 N/A TRP 251.A NE1 VAL 513.A O no hydrogen 2.953 N/A SER 256.A N VAL 253.A O no hydrogen 3.236 N/A SER 256.A OG VAL 253.A O no hydrogen 3.217 N/A SER 256.A OG SER 256.A O no hydrogen 2.306 N/A ALA 259.A N SER 627.A OG no hydrogen 3.312 N/A ASN 260.A ND2 SER 256.A O no hydrogen 2.383 N/A LEU 261.A N ILE 258.A O no hydrogen 2.914 N/A ILE 262.A N ILE 258.A O no hydrogen 2.912 N/A MET 263.A N ALA 259.A O no hydrogen 3.052 N/A ILE 265.A N LEU 261.A O no hydrogen 3.141 N/A ALA 266.A N ILE 262.A O no hydrogen 3.055 N/A THR 267.A OG1 MET 263.A O no hydrogen 2.714 N/A CYS 268.A N ASN 264.A O no hydrogen 3.410 N/A LEU 269.A N ILE 265.A O no hydrogen 3.289 N/A THR 271.A N HIS 560.A O no hydrogen 2.979 N/A ILE 275.A N SER 555.A O no hydrogen 3.380 N/A ILE 281.A N ASN 278.A O no hydrogen 3.364 N/A THR 285.A OG1 ILE 281.A O no hydrogen 2.829 N/A THR 287.A N SER 282.A O no hydrogen 3.153 N/A THR 287.A OG1 SER 282.A O no hydrogen 3.436 N/A THR 291.A OG1 ILE 290.A O no hydrogen 2.615 N/A THR 292.A OG1 THR 291.A O no hydrogen 2.668 N/A LEU 299.A N PHE 296.A O no hydrogen 3.175 N/A THR 300.A OG1 ALA 297.A O no hydrogen 3.484 N/A SER 302.A OG LEU 299.A O no hydrogen 2.771 N/A SER 302.A OG GLY 301.A O no hydrogen 2.711 N/A SER 302.A OG SER 302.A O no hydrogen 2.503 N/A ALA 306.A N THR 305.A OG1 no hydrogen 2.654 N/A LEU 309.A N THR 305.A O no hydrogen 3.271 N/A ASN 310.A N GLN 307.A O no hydrogen 3.162 N/A ARG 313.A N ASN 310.A O no hydrogen 3.106 N/A ARG 313.A NE GLU 28.A OE1 no hydrogen 3.364 N/A ARG 313.A NH2 ALA 25.A O no hydrogen 3.513 N/A ARG 313.A NH2 GLU 28.A OE1 no hydrogen 3.255 N/A ILE 315.A N ASP 311.A O no hydrogen 3.217 N/A TYR 316.A N VAL 312.A O no hydrogen 3.239 N/A TYR 316.A OH ALA 551.A O no hydrogen 3.021 N/A TYR 316.A OH ARG 554.A O no hydrogen 2.272 N/A ALA 318.A N LYS 314.A O no hydrogen 3.349 N/A LEU 319.A N ILE 315.A O no hydrogen 3.160 N/A PHE 321.A N LEU 317.A O no hydrogen 3.289 N/A ILE 326.A N VAL 539.A O no hydrogen 3.005 N/A LEU 327.A N ASN 361.A O no hydrogen 3.090 N/A ASP 328.A N LEU 541.A O no hydrogen 2.804 N/A LEU 329.A N ASP 328.A OD1 no hydrogen 2.511 N/A LYS 330.A N VAL 543.A O no hydrogen 2.947 N/A ARG 336.A NH2 LYS 330.A O no hydrogen 3.077 N/A ASP 338.A N GLU 335.A O no hydrogen 3.151 N/A ALA 340.A N ASP 338.A OD1 no hydrogen 3.156 N/A VAL 341.A N ASP 338.A OD1 no hydrogen 3.413 N/A ARG 342.A NH1 ASP 376.A OD2 no hydrogen 2.507 N/A ARG 342.A NH2 ASP 376.A OD2 no hydrogen 3.074 N/A MET 343.A N PRO 339.A O no hydrogen 3.363 N/A GLY 346.A N MET 343.A O no hydrogen 3.210 N/A VAL 347.A N MET 343.A O no hydrogen 3.405 N/A VAL 348.A N VAL 344.A O no hydrogen 3.275 N/A LEU 351.A N VAL 348.A O no hydrogen 2.871 N/A PHE 353.A N GLY 349.A O no hydrogen 3.340 N/A THR 360.A OG1 LEU 362.A O no hydrogen 2.638 N/A ASN 361.A N THR 354.A O no hydrogen 2.840 N/A LEU 362.A N THR 360.A OG1 no hydrogen 3.146 N/A ALA 367.A N THR 363.A O no hydrogen 3.468 N/A ARG 368.A N ASN 365.A O no hydrogen 3.180 N/A ARG 368.A NH2 GLU 395.A OE2 no hydrogen 2.629 N/A GLN 369.A N ASN 365.A O no hydrogen 3.204 N/A LEU 370.A N MET 366.A O no hydrogen 3.050 N/A ASP 371.A N ARG 368.A O no hydrogen 3.324 N/A ALA 373.A N GLN 369.A O no hydrogen 3.364 N/A ASN 375.A N ASP 371.A O no hydrogen 2.800 N/A ASP 376.A N ILE 372.A O no hydrogen 2.878 N/A TYR 377.A N LEU 374.A O no hydrogen 3.052 N/A LEU 378.A N LEU 374.A O no hydrogen 3.073 N/A TYR 380.A N TYR 377.A O no hydrogen 3.366 N/A VAL 386.A N ASN 383.A OD1 no hydrogen 3.242 N/A GLY 391.A N ASP 398.A OD1 no hydrogen 2.562 N/A GLU 395.A N THR 393.A OG1 no hydrogen 2.867 N/A GLN 400.A N ASN 389.A O no hydrogen 3.061 N/A GLY 402.A N GLN 387.A O no hydrogen 3.400 N/A GLN 405.A N GLY 402.A O no hydrogen 3.308 N/A GLN 405.A NE2 GLY 402.A O no hydrogen 3.172 N/A TYR 406.A N ILE 401.A O no hydrogen 2.844 N/A TYR 406.A OH GLU 471.A OE1 no hydrogen 2.406 N/A CYS 408.A N PHE 399.A O no hydrogen 3.308 N/A ASN 409.A N ASP 407.A OD1 no hydrogen 3.419 N/A ALA 413.A N ASP 371.A OD2 no hydrogen 2.967 N/A THR 417.A N ASP 414.A O no hydrogen 3.189 N/A GLY 418.A N ASP 414.A O no hydrogen 2.612 N/A THR 419.A OG1 VAL 410.A O no hydrogen 2.812 N/A TYR 421.A OH ASP 371.A OD1 no hydrogen 3.247 N/A ASN 422.A N PHE 353.A O no hydrogen 3.290 N/A ASN 422.A ND2 LEU 351.A O no hydrogen 3.293 N/A THR 426.A OG1 TRP 424.A O no hydrogen 3.205 N/A GLU 430.A N TYR 443.A O no hydrogen 3.123 N/A ARG 432.A NH2 GLU 430.A OE1 no hydrogen 2.957 N/A ARG 432.A NH2 ASP 450.A OD2 no hydrogen 2.659 N/A GLU 433.A N GLU 433.A OE2 no hydrogen 2.750 N/A ARG 442.A NH1 LEU 516.A O no hydrogen 2.485 N/A ARG 442.A NH1 ASP 518.A OD1 no hydrogen 3.432 N/A ARG 442.A NH2 LEU 516.A O no hydrogen 3.232 N/A ARG 445.A N ASP 428.A O no hydrogen 2.890 N/A ARG 445.A NH1 GLU 430.A OE1 no hydrogen 2.871 N/A TYR 446.A N ASN 503.A OD1 no hydrogen 2.920 N/A TYR 446.A OH LEU 319.A O no hydrogen 3.292 N/A TYR 446.A OH ASN 361.A OD1 no hydrogen 3.154 N/A CYS 447.A SG TYR 446.A O no hydrogen 2.887 N/A SER 451.A OG ILE 449.A O no hydrogen 2.967 N/A ARG 452.A N ASP 450.A O no hydrogen 3.221 N/A ARG 452.A N GLU 453.A OE1 no hydrogen 3.037 N/A THR 458.A OG1 THR 459.A OG1 no hydrogen 3.009 N/A THR 459.A OG1 THR 458.A OG1 no hydrogen 3.009 N/A THR 465.A OG1 TYR 466.A O no hydrogen 3.089 N/A CYS 468.A SG HIS 350.A O no hydrogen 3.290 N/A CYS 468.A SG GLY 420.A O no hydrogen 3.288 N/A TYR 469.A OH PHE 488.A O no hydrogen 2.498 N/A ASN 470.A N TYR 466.A O no hydrogen 3.178 N/A GLU 471.A N HIS 467.A O no hydrogen 3.248 N/A MET 472.A N TYR 469.A O no hydrogen 3.325 N/A LEU 473.A N TYR 469.A O no hydrogen 3.304 N/A ARG 474.A N ASN 470.A O no hydrogen 3.313 N/A MET 475.A N MET 472.A O no hydrogen 3.246 N/A LEU 476.A N MET 472.A O no hydrogen 2.911 N/A VAL 477.A N LEU 473.A O no hydrogen 3.367 N/A ALA 478.A N ARG 474.A O no hydrogen 3.357 N/A ALA 479.A N MET 475.A O no hydrogen 2.914 N/A GLY 480.A N VAL 477.A O no hydrogen 3.233 N/A LYS 481.A NZ LEU 378.A O no hydrogen 3.208 N/A LYS 481.A NZ ALA 479.A O no hydrogen 3.167 N/A ALA 485.A N ASP 482.A O no hydrogen 2.888 N/A ALA 486.A N ASP 482.A O no hydrogen 2.985 N/A PHE 488.A N ALA 485.A O no hydrogen 3.306 N/A ARG 489.A N ALA 485.A O no hydrogen 3.341 N/A MET 491.A N PHE 488.A O no hydrogen 3.118 N/A PHE 494.A N MET 491.A O no hydrogen 2.960 N/A HIS 495.A N MET 491.A O no hydrogen 2.704 N/A HIS 495.A NE2 LEU 351.A O no hydrogen 3.097 N/A MET 496.A N LEU 492.A O no hydrogen 3.199 N/A ARG 498.A N PHE 494.A O no hydrogen 3.378 N/A ARG 498.A NE HIS 495.A ND1 no hydrogen 3.255 N/A ARG 498.A NH1 TYR 316.A OH no hydrogen 3.267 N/A ARG 498.A NH1 PHE 552.A O no hydrogen 2.712 N/A ARG 498.A NH1 ARG 554.A O no hydrogen 3.480 N/A ARG 498.A NH2 HIS 495.A ND1 no hydrogen 3.081 N/A ARG 498.A NH2 PHE 552.A O no hydrogen 2.850 N/A PHE 499.A N HIS 495.A O no hydrogen 3.434 N/A ALA 500.A N MET 496.A O no hydrogen 3.273 N/A ALA 500.A N VAL 497.A O no hydrogen 3.133 N/A ARG 501.A N VAL 497.A O no hydrogen 2.837 N/A ARG 501.A NH2 GLU 557.A OE2 no hydrogen 2.985 N/A ILE 502.A N ARG 498.A O no hydrogen 3.206 N/A ASN 503.A N PHE 499.A O no hydrogen 3.332 N/A ASN 503.A ND2 TYR 446.A O no hydrogen 3.490 N/A ILE 505.A N ILE 502.A O no hydrogen 2.976 N/A ILE 506.A N ILE 502.A O no hydrogen 3.114 N/A ASN 507.A ND2 ILE 444.A O no hydrogen 3.300 N/A GLU 508.A N GLN 504.A O no hydrogen 3.104 N/A ASP 509.A N ILE 505.A O no hydrogen 3.362 N/A LEU 510.A N ILE 505.A O no hydrogen 2.831 N/A SER 512.A OG GLU 572.A OE2 no hydrogen 2.430 N/A SER 515.A N SER 512.A O no hydrogen 3.199 N/A SER 515.A OG SER 512.A O no hydrogen 3.249 N/A ASP 518.A N HIS 439.A O no hydrogen 3.347 N/A PHE 521.A N PRO 517.A O no hydrogen 2.988 N/A ASN 522.A N ASP 518.A O no hydrogen 3.214 N/A ILE 529.A N LEU 525.A O no hydrogen 3.428 N/A ALA 530.A N PRO 526.A O no hydrogen 3.206 N/A HIS 533.A ND1 GLY 531.A O no hydrogen 2.643 N/A VAL 539.A N GLN 324.A O no hydrogen 2.890 N/A LEU 541.A N ILE 326.A O no hydrogen 3.072 N/A VAL 543.A N ASP 328.A O no hydrogen 2.885 N/A SER 544.A N ASP 311.A OD2 no hydrogen 3.215 N/A SER 544.A OG ASP 311.A OD2 no hydrogen 2.910 N/A TRP 545.A N GLU 335.A OE1 no hydrogen 3.294 N/A SER 547.A OG SER 544.A O no hydrogen 3.048 N/A TRP 549.A N ILE 546.A O no hydrogen 2.785 N/A ALA 551.A N SER 547.A O no hydrogen 2.993 N/A PHE 552.A N LEU 548.A O no hydrogen 3.320 N/A ASN 553.A ND2 TYR 487.A OH no hydrogen 3.327 N/A ARG 554.A NH1 ASN 553.A O no hydrogen 3.027 N/A SER 555.A N ILE 275.A O no hydrogen 2.989 N/A GLU 557.A N GLU 273.A O no hydrogen 3.323 N/A THR 559.A OG1 THR 271.A O no hydrogen 3.446 N/A HIS 560.A N THR 271.A O no hydrogen 3.040 N/A ARG 561.A NH1 LYS 218.A O no hydrogen 3.070 N/A GLU 563.A N ASN 562.A OD1 no hydrogen 2.617 N/A MET 564.A N ASN 562.A OD1 no hydrogen 3.311 N/A GLU 566.A N GLU 566.A OE1 no hydrogen 3.122 N/A ALA 568.A N LEU 565.A O no hydrogen 3.362 N/A ILE 571.A N VAL 567.A O no hydrogen 3.304 N/A GLU 572.A N ALA 568.A O no hydrogen 3.021 N/A SER 573.A OG GLN 242.A O no hydrogen 3.335 N/A VAL 574.A N LEU 570.A O no hydrogen 3.302 N/A TYR 575.A N ILE 571.A O no hydrogen 3.131 N/A ALA 576.A N GLU 572.A O no hydrogen 3.389 N/A SER 577.A N SER 573.A O no hydrogen 3.139 N/A SER 577.A N VAL 574.A O no hydrogen 3.257 N/A SER 577.A OG SER 650.A OG no hydrogen 2.464 N/A LEU 579.A N TYR 575.A O no hydrogen 3.355 N/A SER 580.A OG ALA 576.A O no hydrogen 3.387 N/A MET 582.A N GLU 578.A O no hydrogen 3.291 N/A LYS 583.A N LEU 579.A O no hydrogen 3.027 N/A LYS 583.A N SER 580.A O no hydrogen 3.265 N/A LYS 583.A NZ LEU 644.A O no hydrogen 3.494 N/A LYS 583.A NZ SER 646.A O no hydrogen 2.756 N/A VAL 584.A N SER 580.A O no hydrogen 3.117 N/A ASP 585.A N VAL 581.A O no hydrogen 3.125 N/A MET 586.A N MET 582.A O no hydrogen 3.343 N/A ARG 587.A N LYS 583.A O no hydrogen 2.861 N/A ARG 587.A NE VAL 642.A O no hydrogen 3.316 N/A ARG 587.A NH2 VAL 642.A O no hydrogen 3.443 N/A HIS 588.A N VAL 584.A O no hydrogen 3.461 N/A SER 590.A N ARG 587.A O no hydrogen 3.428 N/A SER 590.A OG MET 586.A O no hydrogen 3.294 N/A SER 590.A OG ARG 587.A O no hydrogen 2.802 N/A MET 592.A N LEU 589.A O no hydrogen 3.344 N/A ARG 595.A N LEU 591.A O no hydrogen 3.170 N/A ARG 595.A NH2 ASN 664.A O no hydrogen 3.202 N/A PHE 596.A N MET 592.A O no hydrogen 3.208 N/A LEU 600.A N PHE 596.A O no hydrogen 3.498 N/A HIS 607.A N ARG 604.A O no hydrogen 3.021 N/A ASP 615.A N VAL 612.A O no hydrogen 3.209 N/A SER 616.A N VAL 612.A O no hydrogen 3.058 N/A SER 616.A OG VAL 612.A O no hydrogen 2.566 N/A LYS 621.A N PRO 617.A O no hydrogen 3.441 N/A LYS 621.A NZ LEU 613.A O no hydrogen 2.831 N/A ALA 622.A N GLU 618.A O no hydrogen 2.898 N/A VAL 623.A N ALA 619.A O no hydrogen 2.987 N/A MET 624.A N VAL 620.A O no hydrogen 3.412 N/A ASN 625.A N LYS 621.A O no hydrogen 3.041 N/A LEU 626.A N VAL 623.A O no hydrogen 3.353 N/A SER 627.A N MET 624.A O no hydrogen 3.270 N/A HIS 630.A N SER 627.A O no hydrogen 3.441 N/A ASP 637.A N ASN 634.A O no hydrogen 2.814 N/A VAL 642.A N MET 638.A O no hydrogen 2.782 N/A MET 643.A N MET 639.A O no hydrogen 3.156 N/A SER 646.A OG PRO 645.A O no hydrogen 2.677 N/A GLN 648.A N SER 580.A OG no hydrogen 3.081 N/A GLN 648.A NE2 GLN 242.A O no hydrogen 3.691 N/A SER 650.A OG SER 577.A OG no hydrogen 2.464 N/A LEU 651.A N ALA 240.A O no hydrogen 3.166 N/A LYS 652.A NZ GLU 49.A OE1 no hydrogen 3.346 N/A LYS 652.A NZ GLU 578.A OE2 no hydrogen 2.425 N/A ALA 654.A N SER 650.A O no hydrogen 3.137 N/A GLU 656.A N LYS 652.A O no hydrogen 3.281 N/A GLU 657.A N LEU 653.A O no hydrogen 2.993 N/A ALA 659.A N LEU 655.A O no hydrogen 2.996 N/A TRP 660.A N GLU 656.A O no hydrogen 3.221 N/A TRP 660.A NE1 ASP 585.A OD1 no hydrogen 2.651 N/A ALA 662.A N GLU 658.A O no hydrogen 3.161 N/A ALA 663.A N ALA 659.A O no hydrogen 3.105 N/A GLU 667.A N ASP 665.A OD1 no hydrogen 3.418 N/A ASP 668.A N ASP 665.A O no hydrogen 2.921 N/A MET 670.A N GLU 667.A O no hydrogen 3.307 N/A TYR 676.A N LYS 822.A O no hydrogen 2.901 N/A MET 677.A N VAL 744.A O no hydrogen 3.240 N/A HIS 678.A NE2 ASP 741.A OD1 no hydrogen 2.586 N/A ARG 679.A NH2 ASP 739.A OD1 no hydrogen 2.417 N/A ASP 680.A N HIS 678.A O no hydrogen 2.846 N/A ASP 680.A N THR 819.A O no hydrogen 3.089 N/A MET 681.A N ASP 680.A OD1 no hydrogen 2.726 N/A LEU 682.A N THR 817.A O no hydrogen 2.993 N/A LEU 687.A N PRO 808.A O no hydrogen 3.030 N/A PHE 693.A N ASP 689.A O no hydrogen 3.304 N/A ARG 694.A N ILE 690.A O no hydrogen 3.371 N/A ARG 694.A NH1 VAL 802.A O no hydrogen 2.987 N/A GLN 695.A N GLU 691.A O no hydrogen 2.905 N/A GLU 696.A N PHE 693.A O no hydrogen 3.400 N/A TYR 700.A N LEU 798.A O no hydrogen 3.267 N/A TYR 700.A OH THR 819.A OG1 no hydrogen 3.330 N/A THR 701.A OG1 PHE 796.A O no hydrogen 3.501 N/A ASN 702.A ND2 THR 794.A O no hydrogen 3.122 N/A LEU 704.A N VAL 823.A O no hydrogen 2.915 N/A GLU 705.A N GLU 705.A OE2 no hydrogen 2.770 N/A GLU 709.A N GLU 709.A OE1 no hydrogen 2.791 N/A ARG 712.A N GLU 709.A O no hydrogen 3.001 N/A ARG 712.A NH1 ASP 740.A O no hydrogen 3.195 N/A ARG 712.A NH1 ASP 741.A O no hydrogen 2.539 N/A VAL 713.A N ILE 710.A O no hydrogen 3.384 N/A VAL 714.A N TRP 743.A O no hydrogen 2.718 N/A TYR 716.A N ARG 745.A O no hydrogen 3.037 N/A ARG 722.A N TYR 718.A O no hydrogen 3.024 N/A LEU 723.A N GLU 719.A O no hydrogen 3.120 N/A GLN 724.A N ILE 720.A O no hydrogen 3.105 N/A ALA 725.A N ALA 721.A O no hydrogen 3.183 N/A ASN 726.A N LEU 723.A O no hydrogen 3.242 N/A GLN 729.A N GLN 724.A O no hydrogen 2.692 N/A ALA 733.A N GLN 729.A O no hydrogen 3.070 N/A ALA 733.A N PHE 730.A O no hydrogen 3.330 N/A LEU 734.A N PHE 730.A O no hydrogen 3.338 N/A ARG 736.A N ALA 732.A O no hydrogen 3.335 N/A ILE 737.A N ALA 733.A O no hydrogen 3.259 N/A ILE 737.A N LEU 734.A O no hydrogen 3.237 N/A MET 738.A N LEU 734.A O no hydrogen 3.104 N/A ASP 739.A N ARG 735.A O no hydrogen 3.217 N/A ASP 740.A N ILE 737.A O no hydrogen 3.166 N/A ASP 741.A N MET 738.A O no hydrogen 3.449 N/A VAL 744.A N MET 677.A O no hydrogen 3.469 N/A ARG 745.A N VAL 714.A O no hydrogen 3.351 N/A ARG 745.A NE ASP 673.A O no hydrogen 3.315 N/A ARG 745.A NH2 ASP 673.A O no hydrogen 3.484 N/A GLY 747.A N TYR 716.A O no hydrogen 3.437 N/A THR 752.A OG1 VAL 753.A O no hydrogen 3.555 N/A ARG 754.A N THR 793.A O no hydrogen 2.567 N/A LYS 756.A N ILE 795.A O no hydrogen 3.166 N/A TYR 758.A N TYR 797.A O no hydrogen 2.938 N/A LEU 767.A N PRO 763.A O no hydrogen 3.493 N/A ASP 775.A N THR 786.A O no hydrogen 3.266 N/A TYR 784.A N ASN 777.A O no hydrogen 3.074 N/A THR 786.A N ASP 775.A O no hydrogen 3.192 N/A TYR 789.A OH THR 717.A O no hydrogen 3.029 N/A ALA 790.A N PRO 771.A O no hydrogen 3.029 N/A THR 793.A N THR 752.A O no hydrogen 3.168 N/A ILE 795.A N ARG 754.A O no hydrogen 2.834 N/A PHE 796.A N ASN 702.A OD1 no hydrogen 3.026 N/A TYR 797.A N LYS 756.A O no hydrogen 3.360 N/A LEU 798.A N TYR 700.A O no hydrogen 2.933 N/A ILE 799.A N TYR 758.A O no hydrogen 3.269 N/A TYR 800.A OH PRO 683.A O no hydrogen 2.956 N/A GLU 803.A N ASN 806.A OD1 no hydrogen 2.684 N/A SER 805.A OG SER 805.A O no hydrogen 2.384 N/A SER 810.A N THR 807.A O no hydrogen 3.214 N/A THR 819.A N ASP 680.A O no hydrogen 2.592 N/A THR 819.A OG1 ASP 680.A O no hydrogen 3.324 N/A THR 819.A OG1 TYR 700.A OH no hydrogen 3.330 N/A LYS 822.A N TYR 676.A O no hydrogen 3.461 N/A LYS 822.A NZ ASP 680.A OD2 no hydrogen 2.665 N/A VAL 823.A N ASN 702.A O no hydrogen 3.130 N/A PHE 824.A N GLN 674.A O no hydrogen 3.047 N/A ASN 826.A N GLU 667.A OE1 no hydrogen 3.441 N/A LYS 827.A NZ ASP 668.A OD1 no hydrogen 3.424 N/A ARG 828.A NE GLU 831.A OE1 no hydrogen 2.479 N/A ARG 828.A NH2 GLU 831.A OE2 no hydrogen 3.139 N/A ILE 829.A N LYS 827.A O no hydrogen 2.950 N/A VAL 833.A N VAL 73.A O no hydrogen 2.956 N/A VAL 835.A N ASP 71.A O no hydrogen 3.188 N/A GLN 837.A N ARG 834.A O no hydrogen 3.127 N/A ARG 844.A N GLY 179.A O no hydrogen 3.022 N/A VAL 847.A N TYR 189.A OH no hydrogen 3.306 N/A ALA 848.A N ASP 175.A O no hydrogen 3.084 N/A TYR 849.A N LEU 117.A O no hydrogen 3.465 N/A ARG 854.A NE THR 235.A OG1 no hydrogen 2.750 N/A ARG 854.A NH1 ASP 229.A OD2 no hydrogen 2.564 N/A MET 856.A N ILE 236.A O no hydrogen 3.268 N/A ILE 858.A N VAL 238.A O no hydrogen 3.315 N/A SER 861.A N ILE 858.A O no hydrogen 3.076 N/A THR 866.A N THR 221.A O no hydrogen 3.207 N/A LYS 867.A NZ GLU 566.A OE1 no hydrogen 2.578 N/A LEU 868.A N ARG 219.A O no hydrogen 3.101 N/A THR 872.A OG1 VAL 873.A OXT no hydrogen 3.525 N/A