USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 TYR OH : rot 100:sc= -0.351 USER MOD Set 1.2: A 95 GLN : amide:sc= -1.31! C(o=-1.7!,f=-2.9!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 160:sc= -0.0436 (180deg=-0.291) USER MOD Set 2.2: A 44 HIS : no HE2:sc= -2.24 K(o=-4,f=-2.6) USER MOD Set 2.3: A 45 THR OG1 : rot -133:sc= -1.71 USER MOD Single : A 24 HIS : no HD1:sc= -2.86! K(o=-2.9!,f=-1.4) USER MOD Single : A 26 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0414) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.0903 (180deg=-0.393) USER MOD Single : A 48 SER OG : rot 180:sc= -0.533 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -131:sc= -0.234 (180deg=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.777 USER MOD Single : A 58 GLN : amide:sc= -0.292 K(o=-0.29,f=-0.81) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 157:sc= 0 (180deg=-0.165) USER MOD Single : A 64 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.26) USER MOD Single : A 85 MET CE :methyl 175:sc= -4.81! (180deg=-4.93!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.962 8.354 12.444 1.00 0.00 N ATOM 308 CA HIS A 24 7.259 7.463 11.527 1.00 0.00 C ATOM 309 C HIS A 24 8.169 6.328 11.068 1.00 0.00 C ATOM 310 O HIS A 24 9.391 6.413 11.188 1.00 0.00 O ATOM 311 CB HIS A 24 6.747 8.243 10.316 1.00 0.00 C ATOM 312 CG HIS A 24 5.772 9.325 10.669 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.488 9.373 10.169 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.900 10.401 11.479 1.00 0.00 C ATOM 315 CE1 HIS A 24 3.869 10.434 10.655 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.703 11.075 11.453 1.00 0.00 N ATOM 0 HA HIS A 24 6.410 7.033 12.058 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.595 8.686 9.794 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.272 7.550 9.622 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.779 10.678 12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.853 10.727 10.437 1.00 0.00 H new ATOM 0 HE2 HIS A 24 4.493 11.931 11.966 1.00 0.00 H new ATOM 325 N ILE A 25 7.565 5.267 10.544 1.00 0.00 N ATOM 326 CA ILE A 25 8.321 4.116 10.067 1.00 0.00 C ATOM 327 C ILE A 25 8.134 3.919 8.566 1.00 0.00 C ATOM 328 O ILE A 25 7.061 4.180 8.025 1.00 0.00 O ATOM 329 CB ILE A 25 7.904 2.826 10.798 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.434 2.508 10.519 1.00 0.00 C ATOM 331 CG2 ILE A 25 8.148 2.963 12.294 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.951 1.241 11.190 1.00 0.00 C ATOM 0 H ILE A 25 6.554 5.181 10.439 1.00 0.00 H new ATOM 0 HA ILE A 25 9.371 4.320 10.277 1.00 0.00 H new ATOM 0 HB ILE A 25 8.511 2.001 10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.820 3.344 10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.288 2.417 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.849 2.044 12.797 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.207 3.147 12.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.563 3.797 12.683 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.901 1.079 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.540 0.395 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.064 1.335 12.270 1.00 0.00 H new ATOM 344 N ASN A 26 9.187 3.454 7.901 1.00 0.00 N ATOM 345 CA ASN A 26 9.139 3.221 6.462 1.00 0.00 C ATOM 346 C ASN A 26 9.237 1.731 6.149 1.00 0.00 C ATOM 347 O ASN A 26 10.101 1.029 6.678 1.00 0.00 O ATOM 348 CB ASN A 26 10.272 3.975 5.764 1.00 0.00 C ATOM 349 CG ASN A 26 10.449 5.381 6.304 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.524 5.961 6.872 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.643 5.937 6.127 1.00 0.00 N ATOM 0 H ASN A 26 10.083 3.231 8.335 1.00 0.00 H new ATOM 0 HA ASN A 26 8.183 3.591 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.203 3.422 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.068 4.022 4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.821 6.882 6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.381 5.419 5.650 1.00 0.00 H new ATOM 358 N LEU A 27 8.347 1.253 5.286 1.00 0.00 N ATOM 359 CA LEU A 27 8.333 -0.154 4.901 1.00 0.00 C ATOM 360 C LEU A 27 8.554 -0.310 3.400 1.00 0.00 C ATOM 361 O LEU A 27 7.923 0.374 2.594 1.00 0.00 O ATOM 362 CB LEU A 27 7.006 -0.800 5.303 1.00 0.00 C ATOM 363 CG LEU A 27 6.320 -0.212 6.537 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.980 -0.889 6.776 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.215 -0.349 7.761 1.00 0.00 C ATOM 0 H LEU A 27 7.626 1.819 4.840 1.00 0.00 H new ATOM 0 HA LEU A 27 9.147 -0.656 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.319 -0.726 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.180 -1.861 5.480 1.00 0.00 H new ATOM 0 HG LEU A 27 6.141 0.848 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.507 -0.458 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.337 -0.739 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.135 -1.957 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.711 0.075 8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.425 -1.403 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.151 0.183 7.589 1.00 0.00 H new ATOM 377 N LYS A 28 9.453 -1.217 3.031 1.00 0.00 N ATOM 378 CA LYS A 28 9.755 -1.467 1.627 1.00 0.00 C ATOM 379 C LYS A 28 8.865 -2.572 1.067 1.00 0.00 C ATOM 380 O LYS A 28 8.976 -3.733 1.463 1.00 0.00 O ATOM 381 CB LYS A 28 11.227 -1.850 1.461 1.00 0.00 C ATOM 382 CG LYS A 28 12.184 -0.685 1.649 1.00 0.00 C ATOM 383 CD LYS A 28 13.554 -1.157 2.107 1.00 0.00 C ATOM 384 CE LYS A 28 13.637 -1.238 3.624 1.00 0.00 C ATOM 385 NZ LYS A 28 15.040 -1.125 4.109 1.00 0.00 N ATOM 0 H LYS A 28 9.985 -1.791 3.685 1.00 0.00 H new ATOM 0 HA LYS A 28 9.559 -0.550 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.474 -2.631 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.374 -2.273 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.281 -0.138 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.774 0.010 2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.765 -2.136 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.318 -0.474 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.036 -0.442 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.211 -2.183 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.071 -1.319 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.637 -1.813 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.393 -0.164 3.929 1.00 0.00 H new ATOM 399 N VAL A 29 7.983 -2.205 0.143 1.00 0.00 N ATOM 400 CA VAL A 29 7.076 -3.166 -0.474 1.00 0.00 C ATOM 401 C VAL A 29 7.685 -3.763 -1.737 1.00 0.00 C ATOM 402 O VAL A 29 8.142 -3.039 -2.621 1.00 0.00 O ATOM 403 CB VAL A 29 5.725 -2.516 -0.825 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.776 -3.545 -1.420 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.112 -1.862 0.404 1.00 0.00 C ATOM 0 H VAL A 29 7.877 -1.249 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 29 6.910 -3.959 0.255 1.00 0.00 H new ATOM 0 HB VAL A 29 5.898 -1.741 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.827 -3.067 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.214 -3.962 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.607 -4.344 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.158 -1.408 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.952 -2.615 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.786 -1.093 0.782 1.00 0.00 H new ATOM 415 N ALA A 30 7.686 -5.090 -1.816 1.00 0.00 N ATOM 416 CA ALA A 30 8.236 -5.786 -2.973 1.00 0.00 C ATOM 417 C ALA A 30 7.126 -6.372 -3.840 1.00 0.00 C ATOM 418 O ALA A 30 6.177 -6.967 -3.331 1.00 0.00 O ATOM 419 CB ALA A 30 9.192 -6.881 -2.525 1.00 0.00 C ATOM 0 H ALA A 30 7.312 -5.704 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 30 8.786 -5.062 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.595 -7.392 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.009 -6.440 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.658 -7.597 -1.900 1.00 0.00 H new ATOM 479 N VAL A 36 11.079 -1.340 -5.845 1.00 0.00 N ATOM 480 CA VAL A 36 10.594 -1.323 -4.470 1.00 0.00 C ATOM 481 C VAL A 36 9.915 0.003 -4.144 1.00 0.00 C ATOM 482 O VAL A 36 10.457 1.074 -4.416 1.00 0.00 O ATOM 483 CB VAL A 36 11.739 -1.561 -3.468 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.220 -1.495 -2.039 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.413 -2.898 -3.738 1.00 0.00 C ATOM 0 HA VAL A 36 9.869 -2.132 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 36 12.481 -0.773 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.043 -1.665 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.787 -0.512 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.458 -2.260 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.220 -3.050 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.682 -3.701 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.821 -2.902 -4.749 1.00 0.00 H new ATOM 495 N VAL A 37 8.724 -0.077 -3.558 1.00 0.00 N ATOM 496 CA VAL A 37 7.971 1.117 -3.193 1.00 0.00 C ATOM 497 C VAL A 37 7.960 1.318 -1.681 1.00 0.00 C ATOM 498 O VAL A 37 7.522 0.445 -0.933 1.00 0.00 O ATOM 499 CB VAL A 37 6.519 1.041 -3.700 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.881 2.422 -3.704 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.471 0.419 -5.088 1.00 0.00 C ATOM 0 H VAL A 37 8.261 -0.956 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 37 8.469 1.963 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 37 5.949 0.406 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.855 2.348 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.881 2.826 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.449 3.083 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.437 0.373 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.056 1.026 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.886 -0.588 -5.050 1.00 0.00 H new ATOM 511 N GLN A 38 8.443 2.475 -1.240 1.00 0.00 N ATOM 512 CA GLN A 38 8.488 2.791 0.182 1.00 0.00 C ATOM 513 C GLN A 38 7.211 3.498 0.624 1.00 0.00 C ATOM 514 O GLN A 38 6.468 4.031 -0.200 1.00 0.00 O ATOM 515 CB GLN A 38 9.704 3.666 0.493 1.00 0.00 C ATOM 516 CG GLN A 38 11.009 2.890 0.566 1.00 0.00 C ATOM 517 CD GLN A 38 12.216 3.746 0.233 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.317 4.297 -0.863 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.139 3.862 1.181 1.00 0.00 N ATOM 0 H GLN A 38 8.808 3.209 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 38 8.572 1.855 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.792 4.437 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.541 4.176 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.126 2.477 1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.965 2.047 -0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.014 3.388 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.973 4.426 1.015 1.00 0.00 H new ATOM 528 N PHE A 39 6.962 3.498 1.930 1.00 0.00 N ATOM 529 CA PHE A 39 5.774 4.139 2.481 1.00 0.00 C ATOM 530 C PHE A 39 6.027 4.619 3.907 1.00 0.00 C ATOM 531 O PHE A 39 6.436 3.844 4.772 1.00 0.00 O ATOM 532 CB PHE A 39 4.590 3.170 2.460 1.00 0.00 C ATOM 533 CG PHE A 39 4.117 2.832 1.075 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.653 1.754 0.389 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.135 3.592 0.459 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.220 1.442 -0.886 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.697 3.284 -0.815 1.00 0.00 C ATOM 538 CZ PHE A 39 3.240 2.207 -1.488 1.00 0.00 C ATOM 0 H PHE A 39 7.567 3.061 2.626 1.00 0.00 H new ATOM 0 HA PHE A 39 5.538 5.004 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.874 2.251 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.764 3.606 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.418 1.151 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.707 4.435 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.648 0.601 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.931 3.884 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.899 1.963 -2.483 1.00 0.00 H new ATOM 548 N LYS A 40 5.783 5.903 4.145 1.00 0.00 N ATOM 549 CA LYS A 40 5.983 6.489 5.465 1.00 0.00 C ATOM 550 C LYS A 40 4.647 6.726 6.163 1.00 0.00 C ATOM 551 O LYS A 40 3.861 7.576 5.746 1.00 0.00 O ATOM 552 CB LYS A 40 6.751 7.807 5.349 1.00 0.00 C ATOM 553 CG LYS A 40 6.965 8.505 6.681 1.00 0.00 C ATOM 554 CD LYS A 40 7.103 10.008 6.507 1.00 0.00 C ATOM 555 CE LYS A 40 8.432 10.376 5.866 1.00 0.00 C ATOM 556 NZ LYS A 40 9.587 9.994 6.725 1.00 0.00 N ATOM 0 H LYS A 40 5.446 6.559 3.440 1.00 0.00 H new ATOM 0 HA LYS A 40 6.566 5.788 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.720 7.614 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.209 8.476 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.127 8.290 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.861 8.110 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.285 10.380 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.018 10.497 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.519 9.880 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.459 11.449 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.430 10.528 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.368 10.212 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.771 8.975 6.626 1.00 0.00 H new ATOM 570 N ILE A 41 4.399 5.970 7.227 1.00 0.00 N ATOM 571 CA ILE A 41 3.160 6.101 7.984 1.00 0.00 C ATOM 572 C ILE A 41 3.434 6.144 9.484 1.00 0.00 C ATOM 573 O ILE A 41 4.582 6.064 9.919 1.00 0.00 O ATOM 574 CB ILE A 41 2.192 4.941 7.684 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.692 3.649 8.334 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.035 4.758 6.182 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.758 2.475 8.141 1.00 0.00 C ATOM 0 H ILE A 41 5.039 5.261 7.584 1.00 0.00 H new ATOM 0 HA ILE A 41 2.698 7.039 7.674 1.00 0.00 H new ATOM 0 HB ILE A 41 1.216 5.183 8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.669 3.398 7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.833 3.820 9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.348 3.935 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.639 5.674 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.006 4.534 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.176 1.594 8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.788 2.706 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.637 2.278 7.076 1.00 0.00 H new ATOM 589 N LYS A 42 2.370 6.271 10.270 1.00 0.00 N ATOM 590 CA LYS A 42 2.493 6.322 11.722 1.00 0.00 C ATOM 591 C LYS A 42 2.302 4.938 12.333 1.00 0.00 C ATOM 592 O LYS A 42 1.704 4.055 11.718 1.00 0.00 O ATOM 593 CB LYS A 42 1.468 7.296 12.307 1.00 0.00 C ATOM 594 CG LYS A 42 1.421 8.634 11.589 1.00 0.00 C ATOM 595 CD LYS A 42 0.128 9.377 11.880 1.00 0.00 C ATOM 596 CE LYS A 42 -0.134 10.463 10.848 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.484 9.892 9.518 1.00 0.00 N ATOM 0 H LYS A 42 1.412 6.341 9.925 1.00 0.00 H new ATOM 0 HA LYS A 42 3.497 6.671 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.480 6.837 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.699 7.465 13.359 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.270 9.244 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.517 8.475 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.704 8.673 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.178 9.822 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.946 11.104 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.750 11.093 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.974 10.612 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.384 9.596 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.107 9.069 9.647 1.00 0.00 H new ATOM 611 N ARG A 43 2.812 4.756 13.547 1.00 0.00 N ATOM 612 CA ARG A 43 2.696 3.479 14.241 1.00 0.00 C ATOM 613 C ARG A 43 1.266 3.249 14.721 1.00 0.00 C ATOM 614 O ARG A 43 0.876 2.121 15.025 1.00 0.00 O ATOM 615 CB ARG A 43 3.658 3.432 15.430 1.00 0.00 C ATOM 616 CG ARG A 43 3.379 4.492 16.482 1.00 0.00 C ATOM 617 CD ARG A 43 4.638 4.858 17.252 1.00 0.00 C ATOM 618 NE ARG A 43 5.366 5.955 16.622 1.00 0.00 N ATOM 619 CZ ARG A 43 6.401 6.570 17.184 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.827 6.197 18.382 1.00 0.00 N ATOM 621 NH2 ARG A 43 7.011 7.561 16.547 1.00 0.00 N ATOM 0 H ARG A 43 3.309 5.477 14.070 1.00 0.00 H new ATOM 0 HA ARG A 43 2.957 2.687 13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.600 2.448 15.894 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.678 3.553 15.066 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.972 5.383 16.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.620 4.128 17.175 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.371 5.138 18.271 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.287 3.985 17.321 1.00 0.00 H new ATOM 0 HE ARG A 43 5.063 6.267 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.360 5.436 18.875 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.622 6.671 18.811 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.685 7.851 15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.805 8.033 16.979 1.00 0.00 H new ATOM 635 N HIS A 44 0.489 4.326 14.788 1.00 0.00 N ATOM 636 CA HIS A 44 -0.898 4.241 15.231 1.00 0.00 C ATOM 637 C HIS A 44 -1.855 4.541 14.081 1.00 0.00 C ATOM 638 O HIS A 44 -2.910 5.145 14.278 1.00 0.00 O ATOM 639 CB HIS A 44 -1.148 5.214 16.384 1.00 0.00 C ATOM 640 CG HIS A 44 -0.568 6.576 16.154 1.00 0.00 C ATOM 641 ND1 HIS A 44 -0.162 7.404 17.180 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.324 7.253 15.008 1.00 0.00 C ATOM 643 CE1 HIS A 44 0.303 8.532 16.674 1.00 0.00 C ATOM 644 NE2 HIS A 44 0.217 8.465 15.358 1.00 0.00 N ATOM 0 H HIS A 44 0.796 5.267 14.541 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.081 3.224 15.577 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.222 5.308 16.543 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.725 4.798 17.298 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -0.213 7.180 18.174 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.519 6.904 14.005 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.688 9.367 17.240 1.00 0.00 H new ATOM 653 N THR A 45 -1.480 4.115 12.878 1.00 0.00 N ATOM 654 CA THR A 45 -2.303 4.340 11.697 1.00 0.00 C ATOM 655 C THR A 45 -2.543 3.039 10.939 1.00 0.00 C ATOM 656 O THR A 45 -1.639 2.225 10.753 1.00 0.00 O ATOM 657 CB THR A 45 -1.653 5.362 10.745 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.576 6.643 11.381 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.447 5.478 9.453 1.00 0.00 C ATOM 0 H THR A 45 -0.611 3.612 12.697 1.00 0.00 H new ATOM 0 HA THR A 45 -3.256 4.736 12.047 1.00 0.00 H new ATOM 0 HB THR A 45 -0.648 5.015 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.895 7.334 10.764 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.969 6.205 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.479 4.508 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.462 5.804 9.678 1.00 0.00 H new ATOM 667 N PRO A 46 -3.791 2.836 10.491 1.00 0.00 N ATOM 668 CA PRO A 46 -4.179 1.635 9.745 1.00 0.00 C ATOM 669 C PRO A 46 -3.566 1.597 8.349 1.00 0.00 C ATOM 670 O PRO A 46 -3.670 2.559 7.588 1.00 0.00 O ATOM 671 CB PRO A 46 -5.703 1.749 9.657 1.00 0.00 C ATOM 672 CG PRO A 46 -5.981 3.209 9.769 1.00 0.00 C ATOM 673 CD PRO A 46 -4.919 3.764 10.677 1.00 0.00 C ATOM 0 HA PRO A 46 -3.834 0.723 10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.076 1.346 8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.189 1.191 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.948 3.689 8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.976 3.387 10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.649 4.784 10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.251 3.790 11.715 1.00 0.00 H new ATOM 681 N LEU A 47 -2.929 0.479 8.019 1.00 0.00 N ATOM 682 CA LEU A 47 -2.299 0.315 6.713 1.00 0.00 C ATOM 683 C LEU A 47 -3.252 0.723 5.594 1.00 0.00 C ATOM 684 O LEU A 47 -2.826 1.001 4.473 1.00 0.00 O ATOM 685 CB LEU A 47 -1.856 -1.136 6.518 1.00 0.00 C ATOM 686 CG LEU A 47 -0.920 -1.702 7.586 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.702 -3.191 7.371 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.408 -0.960 7.579 1.00 0.00 C ATOM 0 H LEU A 47 -2.835 -0.327 8.637 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.424 0.964 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.746 -1.764 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.361 -1.217 5.550 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.387 -1.562 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.033 -3.576 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.658 -3.711 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.258 -3.356 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.061 -1.376 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.880 -1.068 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.236 0.097 7.784 1.00 0.00 H new ATOM 700 N SER A 48 -4.544 0.758 5.907 1.00 0.00 N ATOM 701 CA SER A 48 -5.557 1.131 4.928 1.00 0.00 C ATOM 702 C SER A 48 -5.026 2.196 3.973 1.00 0.00 C ATOM 703 O SER A 48 -4.991 1.996 2.759 1.00 0.00 O ATOM 704 CB SER A 48 -6.814 1.644 5.633 1.00 0.00 C ATOM 705 OG SER A 48 -6.533 2.805 6.395 1.00 0.00 O ATOM 0 H SER A 48 -4.913 0.532 6.831 1.00 0.00 H new ATOM 0 HA SER A 48 -5.810 0.243 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.584 1.868 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.213 0.866 6.284 1.00 0.00 H new ATOM 0 HG SER A 48 -7.353 3.114 6.834 1.00 0.00 H new ATOM 711 N LYS A 49 -4.612 3.328 4.532 1.00 0.00 N ATOM 712 CA LYS A 49 -4.080 4.426 3.733 1.00 0.00 C ATOM 713 C LYS A 49 -2.868 3.973 2.925 1.00 0.00 C ATOM 714 O LYS A 49 -2.780 4.228 1.723 1.00 0.00 O ATOM 715 CB LYS A 49 -3.694 5.600 4.636 1.00 0.00 C ATOM 716 CG LYS A 49 -4.844 6.551 4.920 1.00 0.00 C ATOM 717 CD LYS A 49 -5.616 6.138 6.161 1.00 0.00 C ATOM 718 CE LYS A 49 -4.881 6.536 7.433 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.111 7.965 7.782 1.00 0.00 N ATOM 0 H LYS A 49 -4.635 3.509 5.536 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.857 4.748 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.313 5.211 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.881 6.155 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.458 7.562 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.517 6.575 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.602 6.602 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.772 5.059 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.212 5.903 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.813 6.361 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.594 8.197 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.772 8.570 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.128 8.127 7.929 1.00 0.00 H new ATOM 733 N LEU A 50 -1.936 3.300 3.591 1.00 0.00 N ATOM 734 CA LEU A 50 -0.730 2.810 2.933 1.00 0.00 C ATOM 735 C LEU A 50 -1.079 1.976 1.705 1.00 0.00 C ATOM 736 O LEU A 50 -0.671 2.297 0.589 1.00 0.00 O ATOM 737 CB LEU A 50 0.104 1.976 3.909 1.00 0.00 C ATOM 738 CG LEU A 50 0.953 0.867 3.288 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.824 1.423 2.172 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.811 0.194 4.350 1.00 0.00 C ATOM 0 H LEU A 50 -1.992 3.081 4.586 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.147 3.672 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.764 2.648 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.569 1.526 4.638 1.00 0.00 H new ATOM 0 HG LEU A 50 0.284 0.120 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.421 0.619 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.191 1.858 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.485 2.191 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.409 -0.593 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.471 0.932 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.168 -0.240 5.116 1.00 0.00 H new ATOM 752 N MET A 51 -1.838 0.906 1.918 1.00 0.00 N ATOM 753 CA MET A 51 -2.245 0.029 0.827 1.00 0.00 C ATOM 754 C MET A 51 -2.881 0.829 -0.306 1.00 0.00 C ATOM 755 O MET A 51 -2.399 0.812 -1.439 1.00 0.00 O ATOM 756 CB MET A 51 -3.227 -1.029 1.334 1.00 0.00 C ATOM 757 CG MET A 51 -2.680 -1.867 2.477 1.00 0.00 C ATOM 758 SD MET A 51 -3.975 -2.472 3.577 1.00 0.00 S ATOM 759 CE MET A 51 -3.255 -4.016 4.131 1.00 0.00 C ATOM 0 H MET A 51 -2.183 0.626 2.836 1.00 0.00 H new ATOM 0 HA MET A 51 -1.354 -0.467 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.142 -0.536 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.497 -1.687 0.508 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.129 -2.715 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.970 -1.272 3.051 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.987 -4.817 4.027 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.377 -4.246 3.527 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.962 -3.926 5.177 1.00 0.00 H new ATOM 769 N LYS A 52 -3.967 1.529 0.007 1.00 0.00 N ATOM 770 CA LYS A 52 -4.669 2.336 -0.983 1.00 0.00 C ATOM 771 C LYS A 52 -3.682 3.080 -1.877 1.00 0.00 C ATOM 772 O LYS A 52 -3.785 3.034 -3.103 1.00 0.00 O ATOM 773 CB LYS A 52 -5.599 3.335 -0.290 1.00 0.00 C ATOM 774 CG LYS A 52 -6.843 2.697 0.304 1.00 0.00 C ATOM 775 CD LYS A 52 -7.997 3.683 0.372 1.00 0.00 C ATOM 776 CE LYS A 52 -8.825 3.660 -0.903 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.239 4.054 -0.653 1.00 0.00 N ATOM 0 H LYS A 52 -4.380 1.553 0.939 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.263 1.667 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.048 3.843 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.900 4.097 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.134 1.836 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.621 2.326 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.633 3.443 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.609 4.688 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.384 4.336 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.798 2.660 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.770 4.026 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.668 3.394 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.267 5.018 -0.264 1.00 0.00 H new ATOM 791 N ALA A 53 -2.726 3.762 -1.257 1.00 0.00 N ATOM 792 CA ALA A 53 -1.719 4.513 -1.997 1.00 0.00 C ATOM 793 C ALA A 53 -0.900 3.592 -2.895 1.00 0.00 C ATOM 794 O ALA A 53 -0.517 3.970 -4.003 1.00 0.00 O ATOM 795 CB ALA A 53 -0.809 5.264 -1.037 1.00 0.00 C ATOM 0 H ALA A 53 -2.627 3.810 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.232 5.235 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.062 5.820 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.402 5.957 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.310 4.554 -0.378 1.00 0.00 H new ATOM 801 N TYR A 54 -0.633 2.385 -2.411 1.00 0.00 N ATOM 802 CA TYR A 54 0.144 1.412 -3.169 1.00 0.00 C ATOM 803 C TYR A 54 -0.559 1.051 -4.474 1.00 0.00 C ATOM 804 O TYR A 54 0.087 0.714 -5.468 1.00 0.00 O ATOM 805 CB TYR A 54 0.375 0.150 -2.335 1.00 0.00 C ATOM 806 CG TYR A 54 1.178 -0.911 -3.052 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.565 -0.849 -3.096 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.549 -1.977 -3.685 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.303 -1.817 -3.751 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.279 -2.950 -4.341 1.00 0.00 C ATOM 811 CZ TYR A 54 2.656 -2.865 -4.371 1.00 0.00 C ATOM 812 OH TYR A 54 3.387 -3.831 -5.023 1.00 0.00 O ATOM 0 H TYR A 54 -0.943 2.056 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 54 1.107 1.862 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.890 0.423 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.590 -0.268 -2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.075 -0.031 -2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.529 -2.046 -3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.381 -1.753 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.775 -3.772 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 54 3.472 -4.620 -4.448 1.00 0.00 H new ATOM 822 N CYS A 55 -1.885 1.125 -4.464 1.00 0.00 N ATOM 823 CA CYS A 55 -2.678 0.806 -5.646 1.00 0.00 C ATOM 824 C CYS A 55 -2.644 1.954 -6.649 1.00 0.00 C ATOM 825 O CYS A 55 -2.204 1.785 -7.786 1.00 0.00 O ATOM 826 CB CYS A 55 -4.123 0.501 -5.250 1.00 0.00 C ATOM 827 SG CYS A 55 -4.297 -0.887 -4.104 1.00 0.00 S ATOM 0 H CYS A 55 -2.434 1.403 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.245 -0.077 -6.116 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.559 1.390 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.698 0.289 -6.151 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.554 -1.066 -3.827 1.00 0.00 H new ATOM 833 N GLU A 56 -3.114 3.122 -6.220 1.00 0.00 N ATOM 834 CA GLU A 56 -3.140 4.297 -7.082 1.00 0.00 C ATOM 835 C GLU A 56 -1.800 4.484 -7.788 1.00 0.00 C ATOM 836 O GLU A 56 -1.751 4.816 -8.972 1.00 0.00 O ATOM 837 CB GLU A 56 -3.478 5.548 -6.267 1.00 0.00 C ATOM 838 CG GLU A 56 -2.281 6.149 -5.550 1.00 0.00 C ATOM 839 CD GLU A 56 -2.583 7.509 -4.951 1.00 0.00 C ATOM 840 OE1 GLU A 56 -2.826 8.457 -5.727 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.575 7.625 -3.708 1.00 0.00 O ATOM 0 H GLU A 56 -3.481 3.279 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.911 4.144 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.908 6.298 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.243 5.297 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.958 5.472 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.451 6.241 -6.250 1.00 0.00 H new ATOM 848 N ARG A 57 -0.715 4.269 -7.051 1.00 0.00 N ATOM 849 CA ARG A 57 0.626 4.415 -7.605 1.00 0.00 C ATOM 850 C ARG A 57 0.784 3.584 -8.875 1.00 0.00 C ATOM 851 O ARG A 57 1.237 4.086 -9.903 1.00 0.00 O ATOM 852 CB ARG A 57 1.675 3.995 -6.574 1.00 0.00 C ATOM 853 CG ARG A 57 3.106 4.211 -7.038 1.00 0.00 C ATOM 854 CD ARG A 57 4.097 3.468 -6.155 1.00 0.00 C ATOM 855 NE ARG A 57 5.480 3.797 -6.488 1.00 0.00 N ATOM 856 CZ ARG A 57 6.080 4.920 -6.108 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.421 5.817 -5.388 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.342 5.148 -6.450 1.00 0.00 N ATOM 0 H ARG A 57 -0.738 3.993 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 57 0.775 5.465 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.512 4.555 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.535 2.941 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.210 3.872 -8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.336 5.276 -7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.907 3.714 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.944 2.394 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 57 6.015 3.128 -7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.451 5.646 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.884 6.678 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.852 4.461 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.802 6.010 -6.158 1.00 0.00 H new ATOM 872 N GLN A 58 0.407 2.312 -8.794 1.00 0.00 N ATOM 873 CA GLN A 58 0.508 1.412 -9.936 1.00 0.00 C ATOM 874 C GLN A 58 -0.818 1.332 -10.685 1.00 0.00 C ATOM 875 O GLN A 58 -0.936 0.628 -11.687 1.00 0.00 O ATOM 876 CB GLN A 58 0.932 0.016 -9.476 1.00 0.00 C ATOM 877 CG GLN A 58 2.259 -0.003 -8.734 1.00 0.00 C ATOM 878 CD GLN A 58 3.394 0.580 -9.553 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.394 0.498 -10.781 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.369 1.173 -8.875 1.00 0.00 N ATOM 0 H GLN A 58 0.029 1.882 -7.950 1.00 0.00 H new ATOM 0 HA GLN A 58 1.264 1.809 -10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.157 -0.395 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.002 -0.638 -10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.160 0.559 -7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.503 -1.029 -8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.328 1.218 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.159 1.584 -9.372 1.00 0.00 H new ATOM 889 N GLY A 59 -1.816 2.060 -10.192 1.00 0.00 N ATOM 890 CA GLY A 59 -3.121 2.057 -10.826 1.00 0.00 C ATOM 891 C GLY A 59 -3.782 0.693 -10.787 1.00 0.00 C ATOM 892 O GLY A 59 -4.535 0.334 -11.693 1.00 0.00 O ATOM 0 H GLY A 59 -1.743 2.652 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.764 2.783 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.019 2.378 -11.863 1.00 0.00 H new ATOM 896 N LEU A 60 -3.499 -0.069 -9.737 1.00 0.00 N ATOM 897 CA LEU A 60 -4.070 -1.403 -9.584 1.00 0.00 C ATOM 898 C LEU A 60 -5.240 -1.385 -8.606 1.00 0.00 C ATOM 899 O LEU A 60 -5.638 -0.328 -8.117 1.00 0.00 O ATOM 900 CB LEU A 60 -3.001 -2.385 -9.100 1.00 0.00 C ATOM 901 CG LEU A 60 -1.674 -2.360 -9.860 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.624 -3.180 -9.126 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.862 -2.877 -11.278 1.00 0.00 C ATOM 0 H LEU A 60 -2.878 0.213 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.438 -1.727 -10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.799 -2.182 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.410 -3.394 -9.156 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.327 -1.328 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.314 -3.151 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.469 -2.765 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.963 -4.212 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.908 -2.852 -11.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.232 -3.902 -11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.582 -2.248 -11.802 1.00 0.00 H new ATOM 915 N SER A 61 -5.786 -2.564 -8.322 1.00 0.00 N ATOM 916 CA SER A 61 -6.912 -2.684 -7.403 1.00 0.00 C ATOM 917 C SER A 61 -6.517 -3.478 -6.162 1.00 0.00 C ATOM 918 O SER A 61 -5.816 -4.485 -6.253 1.00 0.00 O ATOM 919 CB SER A 61 -8.096 -3.358 -8.099 1.00 0.00 C ATOM 920 OG SER A 61 -9.259 -3.305 -7.292 1.00 0.00 O ATOM 0 H SER A 61 -5.467 -3.449 -8.715 1.00 0.00 H new ATOM 0 HA SER A 61 -7.205 -1.681 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.289 -2.867 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.849 -4.397 -8.319 1.00 0.00 H new ATOM 0 HG SER A 61 -10.002 -3.741 -7.760 1.00 0.00 H new ATOM 926 N MET A 62 -6.974 -3.016 -5.002 1.00 0.00 N ATOM 927 CA MET A 62 -6.670 -3.683 -3.742 1.00 0.00 C ATOM 928 C MET A 62 -6.934 -5.182 -3.842 1.00 0.00 C ATOM 929 O MET A 62 -6.146 -5.995 -3.358 1.00 0.00 O ATOM 930 CB MET A 62 -7.503 -3.082 -2.608 1.00 0.00 C ATOM 931 CG MET A 62 -6.939 -3.364 -1.224 1.00 0.00 C ATOM 932 SD MET A 62 -7.911 -2.601 0.090 1.00 0.00 S ATOM 933 CE MET A 62 -6.763 -1.360 0.682 1.00 0.00 C ATOM 0 H MET A 62 -7.556 -2.183 -4.909 1.00 0.00 H new ATOM 0 HA MET A 62 -5.612 -3.532 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.571 -2.004 -2.751 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.518 -3.476 -2.665 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.901 -4.442 -1.064 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.914 -2.998 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.314 -0.563 1.180 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.067 -1.815 1.386 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.208 -0.946 -0.160 1.00 0.00 H new ATOM 943 N ARG A 63 -8.047 -5.541 -4.474 1.00 0.00 N ATOM 944 CA ARG A 63 -8.416 -6.942 -4.636 1.00 0.00 C ATOM 945 C ARG A 63 -7.398 -7.675 -5.506 1.00 0.00 C ATOM 946 O ARG A 63 -6.836 -8.690 -5.097 1.00 0.00 O ATOM 947 CB ARG A 63 -9.809 -7.057 -5.257 1.00 0.00 C ATOM 948 CG ARG A 63 -10.789 -6.011 -4.751 1.00 0.00 C ATOM 949 CD ARG A 63 -12.229 -6.473 -4.911 1.00 0.00 C ATOM 950 NE ARG A 63 -12.787 -6.087 -6.204 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.604 -6.783 -7.321 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.882 -7.895 -7.302 1.00 0.00 N ATOM 953 NH2 ARG A 63 -13.145 -6.368 -8.459 1.00 0.00 N ATOM 0 H ARG A 63 -8.709 -4.881 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.426 -7.405 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.723 -6.969 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.210 -8.049 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.588 -5.800 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.642 -5.079 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.276 -7.557 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.837 -6.048 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.348 -5.237 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.466 -8.218 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.743 -8.428 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.702 -5.514 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.004 -6.903 -9.316 1.00 0.00 H new ATOM 967 N GLN A 64 -7.167 -7.152 -6.706 1.00 0.00 N ATOM 968 CA GLN A 64 -6.218 -7.757 -7.633 1.00 0.00 C ATOM 969 C GLN A 64 -4.915 -8.111 -6.924 1.00 0.00 C ATOM 970 O GLN A 64 -4.360 -9.191 -7.130 1.00 0.00 O ATOM 971 CB GLN A 64 -5.937 -6.808 -8.799 1.00 0.00 C ATOM 972 CG GLN A 64 -5.339 -7.498 -10.015 1.00 0.00 C ATOM 973 CD GLN A 64 -3.997 -8.138 -9.721 1.00 0.00 C ATOM 974 OE1 GLN A 64 -3.893 -9.358 -9.587 1.00 0.00 O ATOM 975 NE2 GLN A 64 -2.958 -7.316 -9.619 1.00 0.00 N ATOM 0 H GLN A 64 -7.624 -6.311 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.661 -8.675 -8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.866 -6.318 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.256 -6.026 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.031 -8.261 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.223 -6.772 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.089 -6.311 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.029 -7.690 -9.423 1.00 0.00 H new ATOM 984 N ILE A 65 -4.434 -7.196 -6.090 1.00 0.00 N ATOM 985 CA ILE A 65 -3.197 -7.413 -5.350 1.00 0.00 C ATOM 986 C ILE A 65 -3.482 -7.859 -3.920 1.00 0.00 C ATOM 987 O ILE A 65 -4.631 -7.866 -3.479 1.00 0.00 O ATOM 988 CB ILE A 65 -2.330 -6.140 -5.317 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.118 -4.977 -4.712 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.848 -5.791 -6.716 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.243 -3.919 -4.077 1.00 0.00 C ATOM 0 H ILE A 65 -4.882 -6.297 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.652 -8.200 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.458 -6.328 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.724 -4.515 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.806 -5.366 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.237 -4.889 -6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.254 -6.615 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.707 -5.618 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.869 -3.126 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.655 -4.366 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.573 -3.502 -4.829 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.428 -8.228 -3.200 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.565 -8.674 -1.818 1.00 0.00 C ATOM 1005 C ARG A 66 -1.360 -8.244 -0.986 1.00 0.00 C ATOM 1006 O ARG A 66 -0.237 -8.179 -1.488 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.718 -10.195 -1.764 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.152 -10.669 -1.937 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.010 -10.298 -0.737 1.00 0.00 C ATOM 1010 NE ARG A 66 -4.994 -11.338 0.289 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.105 -11.384 1.275 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -3.165 -10.454 1.368 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -4.156 -12.362 2.170 1.00 0.00 N ATOM 0 H ARG A 66 -1.470 -8.227 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.458 -8.210 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.100 -10.642 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.337 -10.556 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.576 -10.228 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.165 -11.750 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.651 -9.362 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.036 -10.127 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.704 -12.069 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.123 -9.701 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.484 -10.492 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.878 -13.079 2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.473 -12.397 2.927 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.601 -7.951 0.287 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.537 -7.526 1.189 1.00 0.00 C ATOM 1029 C PHE A 67 -0.220 -8.616 2.209 1.00 0.00 C ATOM 1030 O PHE A 67 -1.044 -9.492 2.472 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.936 -6.237 1.910 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.079 -5.056 0.993 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.288 -4.790 0.369 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.006 -4.213 0.754 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.422 -3.705 -0.476 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.135 -3.126 -0.090 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.345 -2.871 -0.705 1.00 0.00 C ATOM 0 H PHE A 67 -2.524 -8.000 0.718 1.00 0.00 H new ATOM 0 HA PHE A 67 0.357 -7.340 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.880 -6.399 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.188 -6.009 2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.134 -5.438 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.942 -4.407 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.369 -3.509 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.709 -2.477 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.449 -2.021 -1.364 1.00 0.00 H new ATOM 1047 N ARG A 68 0.978 -8.554 2.779 1.00 0.00 N ATOM 1048 CA ARG A 68 1.405 -9.536 3.769 1.00 0.00 C ATOM 1049 C ARG A 68 2.569 -9.001 4.598 1.00 0.00 C ATOM 1050 O ARG A 68 3.316 -8.130 4.150 1.00 0.00 O ATOM 1051 CB ARG A 68 1.812 -10.840 3.081 1.00 0.00 C ATOM 1052 CG ARG A 68 0.632 -11.704 2.668 1.00 0.00 C ATOM 1053 CD ARG A 68 1.072 -13.117 2.315 1.00 0.00 C ATOM 1054 NE ARG A 68 0.081 -13.810 1.496 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.314 -14.963 0.880 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.499 -15.549 0.988 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.638 -15.533 0.152 1.00 0.00 N ATOM 0 H ARG A 68 1.671 -7.834 2.573 1.00 0.00 H new ATOM 0 HA ARG A 68 0.566 -9.731 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.406 -10.605 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.452 -11.411 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.095 -11.740 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.132 -11.253 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.021 -13.078 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.245 -13.682 3.231 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.840 -13.385 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.234 -15.114 1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.675 -16.435 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.550 -15.085 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.457 -16.419 -0.321 1.00 0.00 H new ATOM 1071 N PHE A 69 2.718 -9.528 5.809 1.00 0.00 N ATOM 1072 CA PHE A 69 3.789 -9.103 6.702 1.00 0.00 C ATOM 1073 C PHE A 69 4.371 -10.293 7.458 1.00 0.00 C ATOM 1074 O PHE A 69 3.711 -10.880 8.316 1.00 0.00 O ATOM 1075 CB PHE A 69 3.272 -8.057 7.692 1.00 0.00 C ATOM 1076 CG PHE A 69 4.316 -7.583 8.663 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.230 -6.608 8.296 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.384 -8.113 9.941 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.191 -6.169 9.187 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.343 -7.678 10.836 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.249 -6.706 10.458 1.00 0.00 C ATOM 0 H PHE A 69 2.110 -10.251 6.194 1.00 0.00 H new ATOM 0 HA PHE A 69 4.579 -8.659 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.888 -7.201 7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.434 -8.478 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.191 -6.186 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.680 -8.875 10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.896 -5.407 8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.384 -8.098 11.830 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.001 -6.367 11.155 1.00 0.00 H new ATOM 1091 N ASP A 70 5.610 -10.644 7.134 1.00 0.00 N ATOM 1092 CA ASP A 70 6.282 -11.764 7.783 1.00 0.00 C ATOM 1093 C ASP A 70 5.640 -13.089 7.383 1.00 0.00 C ATOM 1094 O ASP A 70 5.710 -14.072 8.120 1.00 0.00 O ATOM 1095 CB ASP A 70 6.240 -11.601 9.303 1.00 0.00 C ATOM 1096 CG ASP A 70 7.310 -12.416 10.003 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.474 -12.380 9.551 1.00 0.00 O ATOM 1098 OD2 ASP A 70 6.984 -13.088 11.003 1.00 0.00 O ATOM 0 H ASP A 70 6.170 -10.169 6.426 1.00 0.00 H new ATOM 0 HA ASP A 70 7.321 -11.771 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.366 -10.548 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.259 -11.902 9.671 1.00 0.00 H new ATOM 1103 N GLY A 71 5.013 -13.107 6.211 1.00 0.00 N ATOM 1104 CA GLY A 71 4.366 -14.315 5.734 1.00 0.00 C ATOM 1105 C GLY A 71 2.996 -14.521 6.350 1.00 0.00 C ATOM 1106 O GLY A 71 2.587 -15.653 6.604 1.00 0.00 O ATOM 0 H GLY A 71 4.942 -12.306 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.270 -14.268 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.996 -15.175 5.961 1.00 0.00 H new ATOM 1110 N GLN A 72 2.286 -13.423 6.591 1.00 0.00 N ATOM 1111 CA GLN A 72 0.956 -13.489 7.183 1.00 0.00 C ATOM 1112 C GLN A 72 0.023 -12.467 6.541 1.00 0.00 C ATOM 1113 O GLN A 72 0.432 -11.369 6.162 1.00 0.00 O ATOM 1114 CB GLN A 72 1.033 -13.249 8.692 1.00 0.00 C ATOM 1115 CG GLN A 72 1.722 -14.372 9.451 1.00 0.00 C ATOM 1116 CD GLN A 72 1.865 -14.073 10.931 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.307 -12.991 11.318 1.00 0.00 O ATOM 1118 NE2 GLN A 72 1.490 -15.033 11.768 1.00 0.00 N ATOM 0 H GLN A 72 2.610 -12.478 6.385 1.00 0.00 H new ATOM 0 HA GLN A 72 0.554 -14.486 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.566 -12.316 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.024 -13.122 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.154 -15.294 9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.709 -14.544 9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.129 -15.915 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.563 -14.889 12.775 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.261 -12.834 6.415 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.278 -11.963 5.819 1.00 0.00 C ATOM 1129 C PRO A 73 -2.606 -10.765 6.703 1.00 0.00 C ATOM 1130 O PRO A 73 -3.069 -10.924 7.833 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.497 -12.880 5.687 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.304 -13.920 6.736 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.818 -14.128 6.844 1.00 0.00 C ATOM 0 HA PRO A 73 -1.945 -11.535 4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.425 -12.330 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.552 -13.325 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.723 -13.596 7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.809 -14.847 6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.520 -14.376 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.479 -14.943 6.205 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.363 -9.567 6.183 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.635 -8.343 6.925 1.00 0.00 C ATOM 1143 C ILE A 74 -3.891 -7.652 6.407 1.00 0.00 C ATOM 1144 O ILE A 74 -4.185 -7.691 5.213 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.451 -7.360 6.843 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.912 -7.296 5.412 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.352 -7.773 7.811 1.00 0.00 C ATOM 1148 CD1 ILE A 74 -0.264 -5.973 5.070 1.00 0.00 C ATOM 0 H ILE A 74 -1.978 -9.418 5.250 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.786 -8.632 7.965 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.801 -6.367 7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.185 -8.095 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.730 -7.482 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.477 -7.069 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.744 -7.773 8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.001 -8.773 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.095 -5.999 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.994 -5.171 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.575 -5.794 5.743 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.628 -7.018 7.313 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.854 -6.317 6.947 1.00 0.00 C ATOM 1162 C ASN A 75 -5.697 -4.811 7.140 1.00 0.00 C ATOM 1163 O ASN A 75 -5.199 -4.357 8.169 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.029 -6.830 7.781 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.968 -8.329 8.004 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.981 -8.800 9.141 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.902 -9.087 6.915 1.00 0.00 N ATOM 0 H ASN A 75 -4.398 -6.975 8.306 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.054 -6.512 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.036 -6.322 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.964 -6.577 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.860 -10.102 7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.894 -8.654 5.992 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.127 -4.044 6.143 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.034 -2.590 6.204 1.00 0.00 C ATOM 1176 C GLU A 76 -6.405 -2.079 7.594 1.00 0.00 C ATOM 1177 O GLU A 76 -5.835 -1.103 8.082 1.00 0.00 O ATOM 1178 CB GLU A 76 -6.948 -1.954 5.155 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.298 -2.641 5.026 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.204 -1.962 4.017 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.025 -0.749 3.782 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.091 -2.644 3.463 1.00 0.00 O ATOM 0 H GLU A 76 -6.543 -4.405 5.284 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.002 -2.308 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.106 -0.906 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.446 -1.974 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.146 -3.679 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.789 -2.654 5.999 1.00 0.00 H new ATOM 1189 N THR A 77 -7.365 -2.747 8.227 1.00 0.00 N ATOM 1190 CA THR A 77 -7.813 -2.360 9.559 1.00 0.00 C ATOM 1191 C THR A 77 -6.671 -2.431 10.565 1.00 0.00 C ATOM 1192 O THR A 77 -6.495 -1.528 11.383 1.00 0.00 O ATOM 1193 CB THR A 77 -8.967 -3.258 10.045 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.543 -4.625 10.081 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.179 -3.121 9.135 1.00 0.00 C ATOM 0 H THR A 77 -7.847 -3.558 7.839 1.00 0.00 H new ATOM 0 HA THR A 77 -8.167 -1.332 9.488 1.00 0.00 H new ATOM 0 HB THR A 77 -9.248 -2.939 11.049 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.282 -5.189 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.981 -3.764 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.517 -2.085 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.908 -3.416 8.121 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.897 -3.509 10.500 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.769 -3.696 11.406 1.00 0.00 C ATOM 1205 C ASP A 78 -3.791 -2.530 11.303 1.00 0.00 C ATOM 1206 O ASP A 78 -3.748 -1.827 10.293 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.051 -5.010 11.095 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.663 -6.191 11.823 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.739 -6.659 11.395 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.066 -6.646 12.821 1.00 0.00 O ATOM 0 H ASP A 78 -6.030 -4.266 9.830 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.154 -3.734 12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.083 -5.193 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.001 -4.921 11.372 1.00 0.00 H new ATOM 1215 N THR A 79 -3.005 -2.329 12.357 1.00 0.00 N ATOM 1216 CA THR A 79 -2.028 -1.248 12.387 1.00 0.00 C ATOM 1217 C THR A 79 -0.605 -1.793 12.409 1.00 0.00 C ATOM 1218 O THR A 79 -0.362 -2.947 12.762 1.00 0.00 O ATOM 1219 CB THR A 79 -2.236 -0.337 13.611 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.749 -1.101 14.709 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.195 0.798 13.285 1.00 0.00 C ATOM 0 H THR A 79 -3.027 -2.901 13.201 1.00 0.00 H new ATOM 0 HA THR A 79 -2.176 -0.663 11.479 1.00 0.00 H new ATOM 0 HB THR A 79 -1.272 0.091 13.885 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.877 -0.515 15.484 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.326 1.428 14.165 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.788 1.395 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.159 0.386 12.987 1.00 0.00 H new ATOM 1229 N PRO A 80 0.360 -0.945 12.023 1.00 0.00 N ATOM 1230 CA PRO A 80 1.777 -1.320 11.992 1.00 0.00 C ATOM 1231 C PRO A 80 2.360 -1.503 13.389 1.00 0.00 C ATOM 1232 O PRO A 80 3.445 -2.061 13.551 1.00 0.00 O ATOM 1233 CB PRO A 80 2.442 -0.136 11.286 1.00 0.00 C ATOM 1234 CG PRO A 80 1.533 1.016 11.542 1.00 0.00 C ATOM 1235 CD PRO A 80 0.143 0.445 11.590 1.00 0.00 C ATOM 0 HA PRO A 80 1.934 -2.276 11.492 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.440 0.051 11.682 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.553 -0.323 10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.784 1.510 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.620 1.764 10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.491 0.989 12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.344 0.491 10.616 1.00 0.00 H new ATOM 1243 N ALA A 81 1.632 -1.030 14.395 1.00 0.00 N ATOM 1244 CA ALA A 81 2.076 -1.143 15.779 1.00 0.00 C ATOM 1245 C ALA A 81 1.661 -2.482 16.380 1.00 0.00 C ATOM 1246 O ALA A 81 2.316 -2.994 17.288 1.00 0.00 O ATOM 1247 CB ALA A 81 1.520 0.005 16.608 1.00 0.00 C ATOM 0 H ALA A 81 0.732 -0.565 14.278 1.00 0.00 H new ATOM 0 HA ALA A 81 3.165 -1.090 15.791 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.860 -0.093 17.639 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.870 0.952 16.199 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.431 -0.021 16.581 1.00 0.00 H new ATOM 1253 N GLN A 82 0.570 -3.042 15.869 1.00 0.00 N ATOM 1254 CA GLN A 82 0.067 -4.321 16.358 1.00 0.00 C ATOM 1255 C GLN A 82 0.974 -5.466 15.918 1.00 0.00 C ATOM 1256 O GLN A 82 1.191 -6.421 16.664 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.357 -4.560 15.854 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.094 -5.654 16.608 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.488 -5.232 18.010 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.710 -5.369 18.954 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.703 -4.716 18.153 1.00 0.00 N ATOM 0 H GLN A 82 0.017 -2.631 15.117 1.00 0.00 H new ATOM 0 HA GLN A 82 0.058 -4.287 17.447 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.922 -3.631 15.934 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.320 -4.821 14.796 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.989 -5.934 16.052 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.463 -6.541 16.663 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.315 -4.621 17.343 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.024 -4.415 19.073 1.00 0.00 H new ATOM 1270 N LEU A 83 1.500 -5.364 14.702 1.00 0.00 N ATOM 1271 CA LEU A 83 2.383 -6.391 14.162 1.00 0.00 C ATOM 1272 C LEU A 83 3.833 -6.122 14.552 1.00 0.00 C ATOM 1273 O LEU A 83 4.741 -6.840 14.133 1.00 0.00 O ATOM 1274 CB LEU A 83 2.255 -6.453 12.639 1.00 0.00 C ATOM 1275 CG LEU A 83 0.834 -6.570 12.089 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.815 -6.292 10.594 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.260 -7.949 12.384 1.00 0.00 C ATOM 0 H LEU A 83 1.330 -4.580 14.072 1.00 0.00 H new ATOM 0 HA LEU A 83 2.085 -7.351 14.584 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.713 -5.557 12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.833 -7.305 12.280 1.00 0.00 H new ATOM 0 HG LEU A 83 0.211 -5.825 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.205 -6.380 10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.184 -5.284 10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.452 -7.013 10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.752 -8.015 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.884 -8.711 11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.237 -8.110 13.462 1.00 0.00 H new ATOM 1289 N GLU A 84 4.042 -5.086 15.357 1.00 0.00 N ATOM 1290 CA GLU A 84 5.382 -4.724 15.804 1.00 0.00 C ATOM 1291 C GLU A 84 6.264 -4.336 14.621 1.00 0.00 C ATOM 1292 O GLU A 84 7.446 -4.675 14.577 1.00 0.00 O ATOM 1293 CB GLU A 84 6.019 -5.885 16.571 1.00 0.00 C ATOM 1294 CG GLU A 84 5.614 -5.943 18.034 1.00 0.00 C ATOM 1295 CD GLU A 84 6.254 -7.104 18.770 1.00 0.00 C ATOM 1296 OE1 GLU A 84 5.863 -8.261 18.507 1.00 0.00 O ATOM 1297 OE2 GLU A 84 7.145 -6.857 19.610 1.00 0.00 O ATOM 0 H GLU A 84 3.301 -4.482 15.713 1.00 0.00 H new ATOM 0 HA GLU A 84 5.296 -3.864 16.468 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.743 -6.823 16.089 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.104 -5.801 16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.894 -5.009 18.522 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.529 -6.027 18.104 1.00 0.00 H new ATOM 1304 N MET A 85 5.679 -3.625 13.662 1.00 0.00 N ATOM 1305 CA MET A 85 6.412 -3.191 12.479 1.00 0.00 C ATOM 1306 C MET A 85 7.558 -2.259 12.860 1.00 0.00 C ATOM 1307 O MET A 85 7.336 -1.107 13.230 1.00 0.00 O ATOM 1308 CB MET A 85 5.471 -2.486 11.500 1.00 0.00 C ATOM 1309 CG MET A 85 4.408 -3.400 10.914 1.00 0.00 C ATOM 1310 SD MET A 85 3.597 -2.687 9.470 1.00 0.00 S ATOM 1311 CE MET A 85 3.902 -3.959 8.247 1.00 0.00 C ATOM 0 H MET A 85 4.700 -3.338 13.681 1.00 0.00 H new ATOM 0 HA MET A 85 6.831 -4.075 11.998 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.983 -1.656 12.011 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.059 -2.059 10.688 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.864 -4.350 10.637 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.660 -3.616 11.676 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.385 -3.705 7.322 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.973 -4.031 8.056 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.534 -4.916 8.618 1.00 0.00 H new ATOM 1321 N GLU A 86 8.783 -2.767 12.767 1.00 0.00 N ATOM 1322 CA GLU A 86 9.964 -1.980 13.104 1.00 0.00 C ATOM 1323 C GLU A 86 10.308 -1.007 11.979 1.00 0.00 C ATOM 1324 O GLU A 86 9.631 -0.965 10.952 1.00 0.00 O ATOM 1325 CB GLU A 86 11.155 -2.899 13.380 1.00 0.00 C ATOM 1326 CG GLU A 86 10.939 -3.839 14.554 1.00 0.00 C ATOM 1327 CD GLU A 86 10.296 -5.149 14.140 1.00 0.00 C ATOM 1328 OE1 GLU A 86 9.809 -5.236 12.994 1.00 0.00 O ATOM 1329 OE2 GLU A 86 10.280 -6.087 14.965 1.00 0.00 O ATOM 0 H GLU A 86 8.984 -3.719 12.461 1.00 0.00 H new ATOM 0 HA GLU A 86 9.742 -1.405 14.003 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.363 -3.488 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.037 -2.289 13.572 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.897 -4.044 15.032 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.310 -3.348 15.297 1.00 0.00 H new ATOM 1336 N ASP A 87 11.363 -0.227 12.182 1.00 0.00 N ATOM 1337 CA ASP A 87 11.798 0.746 11.186 1.00 0.00 C ATOM 1338 C ASP A 87 12.593 0.067 10.075 1.00 0.00 C ATOM 1339 O ASP A 87 13.326 -0.890 10.320 1.00 0.00 O ATOM 1340 CB ASP A 87 12.646 1.836 11.844 1.00 0.00 C ATOM 1341 CG ASP A 87 11.808 2.832 12.620 1.00 0.00 C ATOM 1342 OD1 ASP A 87 11.512 2.564 13.804 1.00 0.00 O ATOM 1343 OD2 ASP A 87 11.449 3.880 12.045 1.00 0.00 O ATOM 0 H ASP A 87 11.933 -0.249 13.027 1.00 0.00 H new ATOM 0 HA ASP A 87 10.911 1.202 10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.370 1.374 12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.214 2.363 11.077 1.00 0.00 H new ATOM 1348 N GLU A 88 12.440 0.569 8.854 1.00 0.00 N ATOM 1349 CA GLU A 88 13.142 0.009 7.705 1.00 0.00 C ATOM 1350 C GLU A 88 12.722 -1.438 7.463 1.00 0.00 C ATOM 1351 O GLU A 88 13.551 -2.291 7.145 1.00 0.00 O ATOM 1352 CB GLU A 88 14.655 0.084 7.918 1.00 0.00 C ATOM 1353 CG GLU A 88 15.194 1.504 7.963 1.00 0.00 C ATOM 1354 CD GLU A 88 14.876 2.207 9.269 1.00 0.00 C ATOM 1355 OE1 GLU A 88 15.307 1.710 10.330 1.00 0.00 O ATOM 1356 OE2 GLU A 88 14.197 3.254 9.228 1.00 0.00 O ATOM 0 H GLU A 88 11.837 1.362 8.635 1.00 0.00 H new ATOM 0 HA GLU A 88 12.876 0.598 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.908 -0.421 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.154 -0.460 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.274 1.483 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.773 2.075 7.135 1.00 0.00 H new ATOM 1363 N ASP A 89 11.431 -1.707 7.618 1.00 0.00 N ATOM 1364 CA ASP A 89 10.900 -3.050 7.416 1.00 0.00 C ATOM 1365 C ASP A 89 10.576 -3.292 5.945 1.00 0.00 C ATOM 1366 O ASP A 89 10.842 -2.445 5.092 1.00 0.00 O ATOM 1367 CB ASP A 89 9.647 -3.260 8.268 1.00 0.00 C ATOM 1368 CG ASP A 89 9.450 -4.710 8.663 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.860 -5.467 7.864 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.886 -5.089 9.770 1.00 0.00 O ATOM 0 H ASP A 89 10.732 -1.013 7.883 1.00 0.00 H new ATOM 0 HA ASP A 89 11.663 -3.765 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.716 -2.648 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.773 -2.916 7.715 1.00 0.00 H new ATOM 1375 N THR A 90 10.000 -4.454 5.654 1.00 0.00 N ATOM 1376 CA THR A 90 9.642 -4.808 4.287 1.00 0.00 C ATOM 1377 C THR A 90 8.275 -5.481 4.233 1.00 0.00 C ATOM 1378 O THR A 90 7.984 -6.380 5.023 1.00 0.00 O ATOM 1379 CB THR A 90 10.689 -5.747 3.657 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.000 -5.193 3.813 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.398 -5.968 2.180 1.00 0.00 C ATOM 0 H THR A 90 9.771 -5.166 6.348 1.00 0.00 H new ATOM 0 HA THR A 90 9.609 -3.879 3.718 1.00 0.00 H new ATOM 0 HB THR A 90 10.638 -6.708 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.660 -5.796 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.150 -6.634 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.411 -6.417 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.424 -5.012 1.657 1.00 0.00 H new ATOM 1389 N ILE A 91 7.441 -5.041 3.297 1.00 0.00 N ATOM 1390 CA ILE A 91 6.105 -5.603 3.140 1.00 0.00 C ATOM 1391 C ILE A 91 6.073 -6.642 2.025 1.00 0.00 C ATOM 1392 O ILE A 91 6.926 -6.641 1.137 1.00 0.00 O ATOM 1393 CB ILE A 91 5.066 -4.508 2.836 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.198 -3.357 3.835 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.660 -5.087 2.870 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.131 -2.295 3.679 1.00 0.00 C ATOM 0 H ILE A 91 7.667 -4.297 2.636 1.00 0.00 H new ATOM 0 HA ILE A 91 5.851 -6.081 4.086 1.00 0.00 H new ATOM 0 HB ILE A 91 5.253 -4.119 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.154 -3.759 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.178 -2.895 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.937 -4.300 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.573 -5.876 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.461 -5.500 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.287 -1.511 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.188 -1.866 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.148 -2.742 3.826 1.00 0.00 H new ATOM 1408 N ASP A 92 5.084 -7.527 2.077 1.00 0.00 N ATOM 1409 CA ASP A 92 4.938 -8.571 1.069 1.00 0.00 C ATOM 1410 C ASP A 92 3.716 -8.315 0.193 1.00 0.00 C ATOM 1411 O ASP A 92 2.590 -8.241 0.686 1.00 0.00 O ATOM 1412 CB ASP A 92 4.824 -9.942 1.737 1.00 0.00 C ATOM 1413 CG ASP A 92 6.170 -10.490 2.169 1.00 0.00 C ATOM 1414 OD1 ASP A 92 6.776 -9.912 3.096 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.617 -11.496 1.581 1.00 0.00 O ATOM 0 H ASP A 92 4.371 -7.543 2.806 1.00 0.00 H new ATOM 0 HA ASP A 92 5.825 -8.556 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.170 -9.866 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.355 -10.642 1.045 1.00 0.00 H new ATOM 1420 N VAL A 93 3.945 -8.179 -1.109 1.00 0.00 N ATOM 1421 CA VAL A 93 2.863 -7.931 -2.054 1.00 0.00 C ATOM 1422 C VAL A 93 3.135 -8.609 -3.392 1.00 0.00 C ATOM 1423 O VAL A 93 4.287 -8.841 -3.759 1.00 0.00 O ATOM 1424 CB VAL A 93 2.657 -6.422 -2.288 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.505 -6.184 -3.253 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.414 -5.707 -0.968 1.00 0.00 C ATOM 0 H VAL A 93 4.871 -8.236 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 93 1.958 -8.350 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 93 3.564 -6.014 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.374 -5.113 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.725 -6.663 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.590 -6.606 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.271 -4.642 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.523 -6.116 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.274 -5.849 -0.313 1.00 0.00 H new ATOM 1436 N PHE A 94 2.067 -8.924 -4.118 1.00 0.00 N ATOM 1437 CA PHE A 94 2.190 -9.576 -5.416 1.00 0.00 C ATOM 1438 C PHE A 94 1.613 -8.698 -6.523 1.00 0.00 C ATOM 1439 O PHE A 94 0.401 -8.503 -6.604 1.00 0.00 O ATOM 1440 CB PHE A 94 1.478 -10.930 -5.400 1.00 0.00 C ATOM 1441 CG PHE A 94 1.870 -11.799 -4.239 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.468 -11.481 -2.952 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.639 -12.935 -4.435 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.828 -12.279 -1.882 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.002 -13.737 -3.369 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.594 -13.408 -2.091 1.00 0.00 C ATOM 0 H PHE A 94 1.107 -8.738 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 94 3.250 -9.733 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.401 -10.765 -5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.696 -11.457 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.867 -10.600 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.959 -13.197 -5.433 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.510 -12.019 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.603 -14.619 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.874 -14.033 -1.256 1.00 0.00 H new ATOM 1456 N GLN A 95 2.490 -8.172 -7.371 1.00 0.00 N ATOM 1457 CA GLN A 95 2.068 -7.314 -8.472 1.00 0.00 C ATOM 1458 C GLN A 95 1.870 -8.125 -9.749 1.00 0.00 C ATOM 1459 O GLN A 95 2.838 -8.518 -10.400 1.00 0.00 O ATOM 1460 CB GLN A 95 3.098 -6.209 -8.710 1.00 0.00 C ATOM 1461 CG GLN A 95 2.842 -4.953 -7.893 1.00 0.00 C ATOM 1462 CD GLN A 95 3.463 -3.717 -8.513 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.678 -3.657 -9.724 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.754 -2.721 -7.685 1.00 0.00 N ATOM 0 H GLN A 95 3.497 -8.325 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 95 1.115 -6.860 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.091 -6.591 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.102 -5.949 -9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.767 -4.803 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.241 -5.090 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.559 -2.813 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.173 -1.864 -8.046 1.00 0.00 H new