USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 33 THR OG1 : rot 62:sc= 1.74 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 150:sc= 0.505 (180deg=0) USER MOD Single : A 27 MET CE :methyl -143:sc= -1.41 (180deg=-1.78) USER MOD Single : A 30 HIS : no HD1:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 36 SER OG : rot 30:sc= 0.793 USER MOD Single : A 39 SER OG : rot -67:sc= -0.355! USER MOD Single : A 47 SER OG : rot 180:sc= 0.186 USER MOD Single : A 50 SER OG : rot 170:sc= 0.131 USER MOD Single : A 52 MET CE :methyl -162:sc= -1.9 (180deg=-2.59) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 65:sc= 0.83 USER MOD Single : A 66 SER OG : rot 177:sc= 0.458 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.153 (180deg=-0.185) USER MOD Single : A 76 THR OG1 : rot -170:sc= 0.438 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00344) USER MOD Single : A 98 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.928 -9.061 -1.770 1.00 0.00 N ATOM 393 CA MET A 27 5.561 -8.530 -1.586 1.00 0.00 C ATOM 394 C MET A 27 5.026 -7.853 -2.871 1.00 0.00 C ATOM 395 O MET A 27 3.877 -7.453 -2.882 1.00 0.00 O ATOM 396 CB MET A 27 5.562 -7.491 -0.426 1.00 0.00 C ATOM 397 CG MET A 27 6.269 -6.178 -0.793 1.00 0.00 C ATOM 398 SD MET A 27 6.420 -5.018 0.562 1.00 0.00 S ATOM 399 CE MET A 27 7.216 -3.666 -0.307 1.00 0.00 C ATOM 0 HA MET A 27 4.908 -9.370 -1.350 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.533 -7.275 -0.139 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.050 -7.928 0.445 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.265 -6.409 -1.171 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.723 -5.700 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.943 -3.189 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.724 -4.051 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.465 -2.935 -0.609 1.00 0.00 H new ATOM 409 N GLU A 28 5.868 -7.737 -3.927 1.00 0.00 N ATOM 410 CA GLU A 28 5.591 -6.903 -5.142 1.00 0.00 C ATOM 411 C GLU A 28 4.170 -7.099 -5.728 1.00 0.00 C ATOM 412 O GLU A 28 3.348 -6.176 -5.718 1.00 0.00 O ATOM 413 CB GLU A 28 6.653 -7.213 -6.233 1.00 0.00 C ATOM 414 CG GLU A 28 8.099 -6.880 -5.825 1.00 0.00 C ATOM 415 CD GLU A 28 9.146 -7.348 -6.849 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.281 -6.707 -7.909 1.00 0.00 O ATOM 417 OE2 GLU A 28 9.825 -8.371 -6.613 1.00 0.00 O ATOM 0 H GLU A 28 6.766 -8.219 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 28 5.649 -5.862 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.595 -8.271 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.404 -6.653 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.191 -5.802 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.312 -7.342 -4.861 1.00 0.00 H new ATOM 424 N ASP A 29 3.889 -8.326 -6.187 1.00 0.00 N ATOM 425 CA ASP A 29 2.600 -8.682 -6.812 1.00 0.00 C ATOM 426 C ASP A 29 1.466 -8.705 -5.772 1.00 0.00 C ATOM 427 O ASP A 29 0.307 -8.472 -6.109 1.00 0.00 O ATOM 428 CB ASP A 29 2.716 -10.060 -7.520 1.00 0.00 C ATOM 429 CG ASP A 29 3.740 -10.059 -8.677 1.00 0.00 C ATOM 430 OD1 ASP A 29 4.955 -10.239 -8.417 1.00 0.00 O ATOM 431 OD2 ASP A 29 3.339 -9.869 -9.844 1.00 0.00 O ATOM 0 H ASP A 29 4.547 -9.103 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 29 2.357 -7.921 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.003 -10.815 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.738 -10.347 -7.907 1.00 0.00 H new ATOM 436 N HIS A 30 1.839 -8.957 -4.503 1.00 0.00 N ATOM 437 CA HIS A 30 0.895 -9.102 -3.376 1.00 0.00 C ATOM 438 C HIS A 30 0.349 -7.727 -2.930 1.00 0.00 C ATOM 439 O HIS A 30 -0.825 -7.592 -2.581 1.00 0.00 O ATOM 440 CB HIS A 30 1.600 -9.822 -2.194 1.00 0.00 C ATOM 441 CG HIS A 30 2.240 -11.138 -2.564 1.00 0.00 C ATOM 442 ND1 HIS A 30 3.461 -11.552 -2.081 1.00 0.00 N ATOM 443 CD2 HIS A 30 1.815 -12.129 -3.380 1.00 0.00 C ATOM 444 CE1 HIS A 30 3.754 -12.732 -2.589 1.00 0.00 C ATOM 445 NE2 HIS A 30 2.770 -13.104 -3.373 1.00 0.00 N ATOM 0 H HIS A 30 2.815 -9.067 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 30 0.047 -9.703 -3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.364 -9.161 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.871 -9.995 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.889 -12.146 -3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.653 -13.298 -2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.726 -13.980 -3.893 1.00 0.00 H new ATOM 454 N LEU A 31 1.219 -6.707 -2.998 1.00 0.00 N ATOM 455 CA LEU A 31 0.899 -5.318 -2.618 1.00 0.00 C ATOM 456 C LEU A 31 0.087 -4.687 -3.759 1.00 0.00 C ATOM 457 O LEU A 31 -0.819 -3.887 -3.526 1.00 0.00 O ATOM 458 CB LEU A 31 2.238 -4.557 -2.312 1.00 0.00 C ATOM 459 CG LEU A 31 2.172 -3.106 -1.689 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.877 -2.012 -2.739 1.00 0.00 C ATOM 461 CD2 LEU A 31 1.169 -3.037 -0.515 1.00 0.00 C ATOM 0 H LEU A 31 2.179 -6.824 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 31 0.292 -5.266 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.822 -5.179 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.798 -4.489 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 31 3.168 -2.900 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.844 -1.038 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.662 -2.012 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.916 -2.213 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.150 -2.025 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.174 -3.304 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.475 -3.733 0.266 1.00 0.00 H new ATOM 473 N LEU A 32 0.419 -5.096 -4.994 1.00 0.00 N ATOM 474 CA LEU A 32 -0.303 -4.691 -6.209 1.00 0.00 C ATOM 475 C LEU A 32 -1.739 -5.299 -6.208 1.00 0.00 C ATOM 476 O LEU A 32 -2.683 -4.683 -6.721 1.00 0.00 O ATOM 477 CB LEU A 32 0.546 -5.105 -7.451 1.00 0.00 C ATOM 478 CG LEU A 32 0.157 -4.459 -8.833 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.385 -4.316 -9.760 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.950 -5.267 -9.542 1.00 0.00 C ATOM 0 H LEU A 32 1.203 -5.722 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.436 -3.610 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.588 -4.861 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.487 -6.188 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.227 -3.462 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.078 -3.867 -10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.130 -3.681 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.815 -5.300 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.194 -4.793 -10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.600 -6.283 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.839 -5.296 -8.912 1.00 0.00 H new ATOM 492 N THR A 33 -1.888 -6.500 -5.596 1.00 0.00 N ATOM 493 CA THR A 33 -3.201 -7.148 -5.368 1.00 0.00 C ATOM 494 C THR A 33 -4.037 -6.345 -4.344 1.00 0.00 C ATOM 495 O THR A 33 -5.247 -6.155 -4.524 1.00 0.00 O ATOM 496 CB THR A 33 -3.014 -8.624 -4.858 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.221 -9.368 -5.797 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.349 -9.363 -4.649 1.00 0.00 C ATOM 0 H THR A 33 -1.100 -7.046 -5.247 1.00 0.00 H new ATOM 0 HA THR A 33 -3.732 -7.169 -6.320 1.00 0.00 H new ATOM 0 HB THR A 33 -2.516 -8.556 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.334 -8.958 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.153 -10.376 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.947 -8.831 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.893 -9.406 -5.593 1.00 0.00 H new ATOM 506 N VAL A 34 -3.363 -5.875 -3.275 1.00 0.00 N ATOM 507 CA VAL A 34 -3.969 -5.003 -2.248 1.00 0.00 C ATOM 508 C VAL A 34 -4.534 -3.722 -2.884 1.00 0.00 C ATOM 509 O VAL A 34 -5.656 -3.310 -2.575 1.00 0.00 O ATOM 510 CB VAL A 34 -2.908 -4.641 -1.134 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.390 -3.510 -0.196 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.522 -5.901 -0.327 1.00 0.00 C ATOM 0 H VAL A 34 -2.381 -6.090 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.791 -5.546 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.023 -4.263 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.622 -3.303 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.581 -2.610 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.307 -3.819 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.791 -5.634 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.411 -6.314 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.092 -6.645 -0.998 1.00 0.00 H new ATOM 522 N LEU A 35 -3.752 -3.133 -3.798 1.00 0.00 N ATOM 523 CA LEU A 35 -4.137 -1.920 -4.535 1.00 0.00 C ATOM 524 C LEU A 35 -5.341 -2.185 -5.450 1.00 0.00 C ATOM 525 O LEU A 35 -6.159 -1.300 -5.643 1.00 0.00 O ATOM 526 CB LEU A 35 -2.932 -1.400 -5.354 1.00 0.00 C ATOM 527 CG LEU A 35 -1.703 -0.944 -4.509 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.483 -0.661 -5.403 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.055 0.276 -3.624 1.00 0.00 C ATOM 0 H LEU A 35 -2.829 -3.486 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.433 -1.157 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.611 -2.186 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.264 -0.561 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.434 -1.765 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.357 -0.345 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.213 -1.566 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.728 0.129 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.179 0.571 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.369 1.106 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.865 0.011 -2.945 1.00 0.00 H new ATOM 541 N SER A 36 -5.428 -3.412 -5.997 1.00 0.00 N ATOM 542 CA SER A 36 -6.534 -3.829 -6.891 1.00 0.00 C ATOM 543 C SER A 36 -7.876 -3.833 -6.149 1.00 0.00 C ATOM 544 O SER A 36 -8.915 -3.483 -6.714 1.00 0.00 O ATOM 545 CB SER A 36 -6.223 -5.226 -7.479 1.00 0.00 C ATOM 546 OG SER A 36 -7.195 -5.647 -8.423 1.00 0.00 O ATOM 0 H SER A 36 -4.737 -4.144 -5.834 1.00 0.00 H new ATOM 0 HA SER A 36 -6.617 -3.110 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.243 -5.206 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.169 -5.954 -6.669 1.00 0.00 H new ATOM 0 HG SER A 36 -7.574 -4.864 -8.874 1.00 0.00 H new ATOM 552 N VAL A 37 -7.822 -4.238 -4.875 1.00 0.00 N ATOM 553 CA VAL A 37 -8.986 -4.240 -3.981 1.00 0.00 C ATOM 554 C VAL A 37 -9.316 -2.799 -3.550 1.00 0.00 C ATOM 555 O VAL A 37 -10.460 -2.349 -3.669 1.00 0.00 O ATOM 556 CB VAL A 37 -8.704 -5.143 -2.721 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.909 -5.180 -1.752 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.300 -6.570 -3.157 1.00 0.00 C ATOM 0 H VAL A 37 -6.967 -4.575 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.843 -4.652 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.872 -4.696 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.670 -5.814 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.127 -4.170 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.780 -5.582 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.109 -7.180 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.108 -7.015 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.398 -6.522 -3.767 1.00 0.00 H new ATOM 568 N ALA A 38 -8.270 -2.081 -3.107 1.00 0.00 N ATOM 569 CA ALA A 38 -8.384 -0.750 -2.485 1.00 0.00 C ATOM 570 C ALA A 38 -8.866 0.326 -3.482 1.00 0.00 C ATOM 571 O ALA A 38 -9.511 1.300 -3.081 1.00 0.00 O ATOM 572 CB ALA A 38 -7.037 -0.363 -1.851 1.00 0.00 C ATOM 0 H ALA A 38 -7.308 -2.413 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.145 -0.804 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.121 0.622 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.768 -1.097 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.266 -0.339 -2.621 1.00 0.00 H new ATOM 578 N SER A 39 -8.544 0.142 -4.775 1.00 0.00 N ATOM 579 CA SER A 39 -9.018 1.020 -5.853 1.00 0.00 C ATOM 580 C SER A 39 -10.333 0.472 -6.419 1.00 0.00 C ATOM 581 O SER A 39 -11.338 1.188 -6.497 1.00 0.00 O ATOM 582 CB SER A 39 -7.956 1.118 -6.968 1.00 0.00 C ATOM 583 OG SER A 39 -7.686 -0.148 -7.549 1.00 0.00 O ATOM 0 H SER A 39 -7.948 -0.620 -5.099 1.00 0.00 H new ATOM 0 HA SER A 39 -9.190 2.019 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.301 1.806 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.036 1.534 -6.558 1.00 0.00 H new ATOM 0 HG SER A 39 -7.250 -0.725 -6.888 1.00 0.00 H new ATOM 589 N GLY A 40 -10.311 -0.814 -6.798 1.00 0.00 N ATOM 590 CA GLY A 40 -11.444 -1.471 -7.448 1.00 0.00 C ATOM 591 C GLY A 40 -11.167 -1.818 -8.909 1.00 0.00 C ATOM 592 O GLY A 40 -11.969 -2.526 -9.532 1.00 0.00 O ATOM 0 H GLY A 40 -9.505 -1.424 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.691 -2.382 -6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.316 -0.820 -7.393 1.00 0.00 H new ATOM 596 N VAL A 41 -10.047 -1.301 -9.470 1.00 0.00 N ATOM 597 CA VAL A 41 -9.612 -1.616 -10.845 1.00 0.00 C ATOM 598 C VAL A 41 -8.883 -2.982 -10.872 1.00 0.00 C ATOM 599 O VAL A 41 -8.391 -3.433 -9.831 1.00 0.00 O ATOM 600 CB VAL A 41 -8.667 -0.488 -11.427 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.319 0.906 -11.348 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.277 -0.486 -10.754 1.00 0.00 C ATOM 0 H VAL A 41 -9.425 -0.657 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.501 -1.667 -11.473 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.519 -0.726 -12.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.637 1.651 -11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.245 0.908 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.537 1.147 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.664 0.305 -11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.391 -0.313 -9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.793 -1.449 -10.916 1.00 0.00 H new ATOM 612 N PRO A 42 -8.822 -3.685 -12.055 1.00 0.00 N ATOM 613 CA PRO A 42 -8.005 -4.914 -12.205 1.00 0.00 C ATOM 614 C PRO A 42 -6.493 -4.646 -12.027 1.00 0.00 C ATOM 615 O PRO A 42 -6.013 -3.525 -12.259 1.00 0.00 O ATOM 616 CB PRO A 42 -8.338 -5.402 -13.646 1.00 0.00 C ATOM 617 CG PRO A 42 -8.832 -4.181 -14.356 1.00 0.00 C ATOM 618 CD PRO A 42 -9.577 -3.389 -13.306 1.00 0.00 C ATOM 0 HA PRO A 42 -8.235 -5.656 -11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.458 -5.817 -14.137 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.095 -6.186 -13.633 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.005 -3.605 -14.771 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.485 -4.446 -15.187 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.579 -2.323 -13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.619 -3.701 -13.231 1.00 0.00 H new ATOM 626 N LYS A 43 -5.763 -5.712 -11.648 1.00 0.00 N ATOM 627 CA LYS A 43 -4.304 -5.682 -11.417 1.00 0.00 C ATOM 628 C LYS A 43 -3.522 -5.270 -12.688 1.00 0.00 C ATOM 629 O LYS A 43 -2.390 -4.774 -12.598 1.00 0.00 O ATOM 630 CB LYS A 43 -3.832 -7.081 -10.934 1.00 0.00 C ATOM 631 CG LYS A 43 -4.457 -7.533 -9.591 1.00 0.00 C ATOM 632 CD LYS A 43 -3.960 -8.916 -9.113 1.00 0.00 C ATOM 633 CE LYS A 43 -2.434 -8.973 -8.956 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.961 -10.320 -8.545 1.00 0.00 N ATOM 0 H LYS A 43 -6.175 -6.632 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.099 -4.932 -10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.073 -7.818 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.747 -7.071 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.231 -6.790 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.542 -7.562 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.429 -9.157 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.277 -9.678 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.963 -8.697 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.119 -8.238 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.006 -10.482 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.938 -10.378 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.608 -11.044 -8.918 1.00 0.00 H new ATOM 648 N GLU A 44 -4.154 -5.479 -13.856 1.00 0.00 N ATOM 649 CA GLU A 44 -3.582 -5.167 -15.171 1.00 0.00 C ATOM 650 C GLU A 44 -3.329 -3.649 -15.340 1.00 0.00 C ATOM 651 O GLU A 44 -2.310 -3.241 -15.910 1.00 0.00 O ATOM 652 CB GLU A 44 -4.555 -5.674 -16.272 1.00 0.00 C ATOM 653 CG GLU A 44 -4.035 -5.571 -17.725 1.00 0.00 C ATOM 654 CD GLU A 44 -2.865 -6.531 -18.026 1.00 0.00 C ATOM 655 OE1 GLU A 44 -1.690 -6.157 -17.804 1.00 0.00 O ATOM 656 OE2 GLU A 44 -3.124 -7.672 -18.472 1.00 0.00 O ATOM 0 H GLU A 44 -5.092 -5.876 -13.910 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.617 -5.667 -15.260 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.797 -6.716 -16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.485 -5.110 -16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.854 -5.782 -18.412 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.714 -4.547 -17.917 1.00 0.00 H new ATOM 663 N GLU A 45 -4.259 -2.826 -14.805 1.00 0.00 N ATOM 664 CA GLU A 45 -4.241 -1.352 -14.974 1.00 0.00 C ATOM 665 C GLU A 45 -3.384 -0.649 -13.901 1.00 0.00 C ATOM 666 O GLU A 45 -3.260 0.585 -13.909 1.00 0.00 O ATOM 667 CB GLU A 45 -5.691 -0.796 -14.953 1.00 0.00 C ATOM 668 CG GLU A 45 -6.623 -1.428 -16.009 1.00 0.00 C ATOM 669 CD GLU A 45 -7.975 -0.706 -16.138 1.00 0.00 C ATOM 670 OE1 GLU A 45 -8.769 -0.739 -15.175 1.00 0.00 O ATOM 671 OE2 GLU A 45 -8.251 -0.114 -17.199 1.00 0.00 O ATOM 0 H GLU A 45 -5.042 -3.162 -14.245 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.783 -1.141 -15.940 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.117 -0.960 -13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.658 0.282 -15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.122 -1.421 -16.977 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.800 -2.472 -15.749 1.00 0.00 H new ATOM 678 N ILE A 46 -2.806 -1.436 -12.980 1.00 0.00 N ATOM 679 CA ILE A 46 -1.983 -0.913 -11.874 1.00 0.00 C ATOM 680 C ILE A 46 -0.498 -1.025 -12.230 1.00 0.00 C ATOM 681 O ILE A 46 -0.058 -2.052 -12.764 1.00 0.00 O ATOM 682 CB ILE A 46 -2.254 -1.695 -10.539 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.777 -1.718 -10.244 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.462 -1.078 -9.347 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.161 -2.458 -8.993 1.00 0.00 C ATOM 0 H ILE A 46 -2.895 -2.452 -12.979 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.253 0.132 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.903 -2.720 -10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.134 -0.691 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.291 -2.172 -11.091 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.672 -1.643 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.394 -1.118 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.765 -0.040 -9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.243 -2.422 -8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.839 -3.496 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.680 -1.993 -8.133 1.00 0.00 H new ATOM 697 N SER A 47 0.259 0.024 -11.911 1.00 0.00 N ATOM 698 CA SER A 47 1.706 0.050 -12.087 1.00 0.00 C ATOM 699 C SER A 47 2.340 0.840 -10.947 1.00 0.00 C ATOM 700 O SER A 47 1.699 1.732 -10.372 1.00 0.00 O ATOM 701 CB SER A 47 2.077 0.680 -13.448 1.00 0.00 C ATOM 702 OG SER A 47 3.484 0.683 -13.661 1.00 0.00 O ATOM 0 H SER A 47 -0.121 0.886 -11.520 1.00 0.00 H new ATOM 0 HA SER A 47 2.085 -0.972 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.589 0.127 -14.250 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.700 1.702 -13.491 1.00 0.00 H new ATOM 0 HG SER A 47 3.682 1.087 -14.532 1.00 0.00 H new ATOM 708 N ARG A 48 3.599 0.490 -10.616 1.00 0.00 N ATOM 709 CA ARG A 48 4.444 1.306 -9.729 1.00 0.00 C ATOM 710 C ARG A 48 4.700 2.690 -10.380 1.00 0.00 C ATOM 711 O ARG A 48 4.814 3.708 -9.685 1.00 0.00 O ATOM 712 CB ARG A 48 5.766 0.543 -9.340 1.00 0.00 C ATOM 713 CG ARG A 48 6.512 -0.187 -10.494 1.00 0.00 C ATOM 714 CD ARG A 48 7.344 0.748 -11.387 1.00 0.00 C ATOM 715 NE ARG A 48 7.785 0.087 -12.621 1.00 0.00 N ATOM 716 CZ ARG A 48 8.267 0.712 -13.704 1.00 0.00 C ATOM 717 NH1 ARG A 48 8.486 2.022 -13.698 1.00 0.00 N ATOM 718 NH2 ARG A 48 8.537 0.016 -14.790 1.00 0.00 N ATOM 0 H ARG A 48 4.053 -0.359 -10.954 1.00 0.00 H new ATOM 0 HA ARG A 48 3.922 1.483 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.453 1.259 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.522 -0.192 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.169 -0.945 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.782 -0.709 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.753 1.628 -11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.215 1.098 -10.833 1.00 0.00 H new ATOM 0 HE ARG A 48 7.719 -0.930 -12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.287 2.569 -12.860 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.853 2.481 -14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.379 -0.992 -14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.904 0.485 -15.618 1.00 0.00 H new ATOM 732 N ASP A 49 4.735 2.704 -11.733 1.00 0.00 N ATOM 733 CA ASP A 49 4.863 3.927 -12.526 1.00 0.00 C ATOM 734 C ASP A 49 3.470 4.568 -12.696 1.00 0.00 C ATOM 735 O ASP A 49 2.784 4.371 -13.710 1.00 0.00 O ATOM 736 CB ASP A 49 5.536 3.625 -13.889 1.00 0.00 C ATOM 737 CG ASP A 49 5.874 4.893 -14.688 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.748 5.668 -14.240 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.271 5.127 -15.758 1.00 0.00 O ATOM 0 H ASP A 49 4.674 1.857 -12.298 1.00 0.00 H new ATOM 0 HA ASP A 49 5.506 4.639 -12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.450 3.056 -13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.874 2.994 -14.483 1.00 0.00 H new ATOM 744 N SER A 50 3.055 5.279 -11.641 1.00 0.00 N ATOM 745 CA SER A 50 1.743 5.929 -11.541 1.00 0.00 C ATOM 746 C SER A 50 1.778 6.931 -10.381 1.00 0.00 C ATOM 747 O SER A 50 2.431 6.665 -9.366 1.00 0.00 O ATOM 748 CB SER A 50 0.628 4.870 -11.301 1.00 0.00 C ATOM 749 OG SER A 50 -0.651 5.474 -11.165 1.00 0.00 O ATOM 0 H SER A 50 3.635 5.422 -10.814 1.00 0.00 H new ATOM 0 HA SER A 50 1.521 6.449 -12.473 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.611 4.165 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.857 4.298 -10.402 1.00 0.00 H new ATOM 0 HG SER A 50 -1.343 4.780 -11.177 1.00 0.00 H new ATOM 755 N ARG A 51 1.028 8.046 -10.502 1.00 0.00 N ATOM 756 CA ARG A 51 0.995 9.127 -9.473 1.00 0.00 C ATOM 757 C ARG A 51 -0.050 8.797 -8.372 1.00 0.00 C ATOM 758 O ARG A 51 -0.571 9.717 -7.728 1.00 0.00 O ATOM 759 CB ARG A 51 0.622 10.496 -10.129 1.00 0.00 C ATOM 760 CG ARG A 51 1.238 10.786 -11.514 1.00 0.00 C ATOM 761 CD ARG A 51 0.703 12.100 -12.123 1.00 0.00 C ATOM 762 NE ARG A 51 1.081 12.259 -13.541 1.00 0.00 N ATOM 763 CZ ARG A 51 0.217 12.310 -14.574 1.00 0.00 C ATOM 764 NH1 ARG A 51 -1.089 12.119 -14.384 1.00 0.00 N ATOM 765 NH2 ARG A 51 0.669 12.522 -15.800 1.00 0.00 N ATOM 0 H ARG A 51 0.429 8.230 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 51 1.987 9.195 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.463 10.546 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.921 11.293 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.323 10.844 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.019 9.958 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.383 12.122 -12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.086 12.945 -11.551 1.00 0.00 H new ATOM 0 HE ARG A 51 2.075 12.336 -13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.446 11.931 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.731 12.161 -15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.669 12.646 -15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.018 12.561 -16.584 1.00 0.00 H new ATOM 779 N MET A 52 -0.318 7.485 -8.152 1.00 0.00 N ATOM 780 CA MET A 52 -1.479 6.980 -7.380 1.00 0.00 C ATOM 781 C MET A 52 -2.790 7.269 -8.146 1.00 0.00 C ATOM 782 O MET A 52 -3.830 7.525 -7.526 1.00 0.00 O ATOM 783 CB MET A 52 -1.536 7.554 -5.927 1.00 0.00 C ATOM 784 CG MET A 52 -0.375 7.147 -5.022 1.00 0.00 C ATOM 785 SD MET A 52 -0.261 5.354 -4.848 1.00 0.00 S ATOM 786 CE MET A 52 0.794 5.196 -3.420 1.00 0.00 C ATOM 0 H MET A 52 0.276 6.738 -8.512 1.00 0.00 H new ATOM 0 HA MET A 52 -1.356 5.902 -7.275 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.567 8.642 -5.984 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.468 7.232 -5.462 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.558 7.533 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.503 7.601 -4.039 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.208 4.188 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.606 5.920 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.214 5.383 -2.516 1.00 0.00 H new ATOM 796 N GLU A 53 -2.718 7.166 -9.500 1.00 0.00 N ATOM 797 CA GLU A 53 -3.842 7.459 -10.424 1.00 0.00 C ATOM 798 C GLU A 53 -5.068 6.561 -10.137 1.00 0.00 C ATOM 799 O GLU A 53 -5.180 5.462 -10.689 1.00 0.00 O ATOM 800 CB GLU A 53 -3.375 7.286 -11.905 1.00 0.00 C ATOM 801 CG GLU A 53 -2.283 8.276 -12.366 1.00 0.00 C ATOM 802 CD GLU A 53 -2.769 9.736 -12.352 1.00 0.00 C ATOM 803 OE1 GLU A 53 -3.540 10.126 -13.251 1.00 0.00 O ATOM 804 OE2 GLU A 53 -2.400 10.493 -11.437 1.00 0.00 O ATOM 0 H GLU A 53 -1.869 6.874 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.148 8.492 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.002 6.270 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.241 7.394 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.412 8.180 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.960 8.013 -13.373 1.00 0.00 H new ATOM 811 N ASP A 54 -5.939 7.040 -9.215 1.00 0.00 N ATOM 812 CA ASP A 54 -7.159 6.340 -8.749 1.00 0.00 C ATOM 813 C ASP A 54 -6.824 5.030 -7.992 1.00 0.00 C ATOM 814 O ASP A 54 -7.720 4.245 -7.682 1.00 0.00 O ATOM 815 CB ASP A 54 -8.159 6.083 -9.925 1.00 0.00 C ATOM 816 CG ASP A 54 -8.676 7.381 -10.581 1.00 0.00 C ATOM 817 OD1 ASP A 54 -8.000 7.924 -11.485 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.755 7.874 -10.186 1.00 0.00 O ATOM 0 H ASP A 54 -5.808 7.946 -8.765 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.653 7.002 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.669 5.471 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.008 5.509 -9.552 1.00 0.00 H new ATOM 823 N LEU A 55 -5.532 4.829 -7.656 1.00 0.00 N ATOM 824 CA LEU A 55 -5.032 3.580 -7.037 1.00 0.00 C ATOM 825 C LEU A 55 -4.937 3.724 -5.511 1.00 0.00 C ATOM 826 O LEU A 55 -5.275 2.797 -4.760 1.00 0.00 O ATOM 827 CB LEU A 55 -3.647 3.207 -7.636 1.00 0.00 C ATOM 828 CG LEU A 55 -3.618 3.008 -9.189 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.203 2.657 -9.696 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.656 1.951 -9.642 1.00 0.00 C ATOM 0 H LEU A 55 -4.804 5.528 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.739 2.779 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.934 3.989 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.301 2.288 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.896 3.961 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.226 2.527 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.515 3.463 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.867 1.732 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.610 1.837 -10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.434 0.996 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.656 2.276 -9.354 1.00 0.00 H new ATOM 842 N ALA A 56 -4.463 4.904 -5.072 1.00 0.00 N ATOM 843 CA ALA A 56 -4.286 5.238 -3.650 1.00 0.00 C ATOM 844 C ALA A 56 -4.254 6.763 -3.469 1.00 0.00 C ATOM 845 O ALA A 56 -4.661 7.488 -4.381 1.00 0.00 O ATOM 846 CB ALA A 56 -3.019 4.556 -3.087 1.00 0.00 C ATOM 0 H ALA A 56 -4.190 5.659 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.133 4.856 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.904 4.814 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.113 3.475 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.145 4.897 -3.642 1.00 0.00 H new ATOM 852 N PHE A 57 -3.829 7.220 -2.259 1.00 0.00 N ATOM 853 CA PHE A 57 -3.694 8.652 -1.865 1.00 0.00 C ATOM 854 C PHE A 57 -5.051 9.267 -1.422 1.00 0.00 C ATOM 855 O PHE A 57 -5.072 10.212 -0.626 1.00 0.00 O ATOM 856 CB PHE A 57 -2.973 9.524 -2.945 1.00 0.00 C ATOM 857 CG PHE A 57 -2.691 10.966 -2.509 1.00 0.00 C ATOM 858 CD1 PHE A 57 -1.703 11.239 -1.559 1.00 0.00 C ATOM 859 CD2 PHE A 57 -3.420 12.037 -3.029 1.00 0.00 C ATOM 860 CE1 PHE A 57 -1.460 12.532 -1.144 1.00 0.00 C ATOM 861 CE2 PHE A 57 -3.173 13.329 -2.613 1.00 0.00 C ATOM 862 CZ PHE A 57 -2.192 13.577 -1.672 1.00 0.00 C ATOM 0 H PHE A 57 -3.563 6.583 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.040 8.661 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.030 9.046 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.585 9.543 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.123 10.428 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.187 11.852 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.697 12.727 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.747 14.147 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.998 14.589 -1.349 1.00 0.00 H new ATOM 872 N ASP A 58 -6.169 8.734 -1.948 1.00 0.00 N ATOM 873 CA ASP A 58 -7.531 9.010 -1.431 1.00 0.00 C ATOM 874 C ASP A 58 -7.618 8.618 0.057 1.00 0.00 C ATOM 875 O ASP A 58 -7.135 7.550 0.427 1.00 0.00 O ATOM 876 CB ASP A 58 -8.568 8.225 -2.276 1.00 0.00 C ATOM 877 CG ASP A 58 -10.004 8.285 -1.719 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.743 9.236 -2.046 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.392 7.392 -0.935 1.00 0.00 O ATOM 0 H ASP A 58 -6.158 8.098 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.749 10.075 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.567 8.619 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.256 7.182 -2.338 1.00 0.00 H new ATOM 884 N SER A 59 -8.252 9.483 0.878 1.00 0.00 N ATOM 885 CA SER A 59 -8.303 9.337 2.351 1.00 0.00 C ATOM 886 C SER A 59 -8.804 7.947 2.802 1.00 0.00 C ATOM 887 O SER A 59 -8.215 7.335 3.696 1.00 0.00 O ATOM 888 CB SER A 59 -9.201 10.442 2.948 1.00 0.00 C ATOM 889 OG SER A 59 -8.781 11.730 2.532 1.00 0.00 O ATOM 0 H SER A 59 -8.746 10.307 0.536 1.00 0.00 H new ATOM 0 HA SER A 59 -7.283 9.437 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.234 10.278 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.178 10.384 4.036 1.00 0.00 H new ATOM 0 HG SER A 59 -9.369 12.408 2.924 1.00 0.00 H new ATOM 895 N LEU A 60 -9.873 7.456 2.147 1.00 0.00 N ATOM 896 CA LEU A 60 -10.491 6.161 2.482 1.00 0.00 C ATOM 897 C LEU A 60 -9.562 4.993 2.092 1.00 0.00 C ATOM 898 O LEU A 60 -9.452 4.000 2.827 1.00 0.00 O ATOM 899 CB LEU A 60 -11.871 6.033 1.787 1.00 0.00 C ATOM 900 CG LEU A 60 -12.716 4.768 2.144 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.048 4.712 3.658 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.001 4.704 1.289 1.00 0.00 C ATOM 0 H LEU A 60 -10.329 7.943 1.376 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.644 6.116 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.460 6.917 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.712 6.044 0.709 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.111 3.892 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.636 3.819 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.122 4.680 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.619 5.597 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.572 3.815 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.605 5.592 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.734 4.660 0.233 1.00 0.00 H new ATOM 914 N VAL A 61 -8.879 5.137 0.938 1.00 0.00 N ATOM 915 CA VAL A 61 -7.912 4.132 0.456 1.00 0.00 C ATOM 916 C VAL A 61 -6.682 4.064 1.391 1.00 0.00 C ATOM 917 O VAL A 61 -6.165 2.978 1.643 1.00 0.00 O ATOM 918 CB VAL A 61 -7.446 4.404 -1.026 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.483 3.300 -1.522 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.658 4.522 -1.979 1.00 0.00 C ATOM 0 H VAL A 61 -8.981 5.943 0.321 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.428 3.172 0.466 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.911 5.353 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.179 3.515 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.602 3.271 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.988 2.335 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.306 4.709 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.229 3.594 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.295 5.346 -1.658 1.00 0.00 H new ATOM 930 N VAL A 62 -6.242 5.231 1.912 1.00 0.00 N ATOM 931 CA VAL A 62 -5.101 5.324 2.855 1.00 0.00 C ATOM 932 C VAL A 62 -5.464 4.674 4.207 1.00 0.00 C ATOM 933 O VAL A 62 -4.608 4.062 4.851 1.00 0.00 O ATOM 934 CB VAL A 62 -4.636 6.827 3.066 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.522 6.956 4.139 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.158 7.447 1.729 1.00 0.00 C ATOM 0 H VAL A 62 -6.665 6.133 1.693 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.265 4.780 2.416 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.505 7.377 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.239 8.003 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.891 6.581 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.652 6.375 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.844 8.477 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.318 6.871 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.975 7.430 1.007 1.00 0.00 H new ATOM 946 N SER A 63 -6.750 4.798 4.608 1.00 0.00 N ATOM 947 CA SER A 63 -7.283 4.154 5.825 1.00 0.00 C ATOM 948 C SER A 63 -7.174 2.620 5.709 1.00 0.00 C ATOM 949 O SER A 63 -6.650 1.949 6.609 1.00 0.00 O ATOM 950 CB SER A 63 -8.759 4.567 6.050 1.00 0.00 C ATOM 951 OG SER A 63 -8.897 5.977 6.132 1.00 0.00 O ATOM 0 H SER A 63 -7.443 5.346 4.098 1.00 0.00 H new ATOM 0 HA SER A 63 -6.693 4.485 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.373 4.187 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.130 4.110 6.967 1.00 0.00 H new ATOM 0 HG SER A 63 -8.664 6.379 5.269 1.00 0.00 H new ATOM 957 N GLU A 64 -7.650 2.096 4.561 1.00 0.00 N ATOM 958 CA GLU A 64 -7.631 0.657 4.248 1.00 0.00 C ATOM 959 C GLU A 64 -6.183 0.145 4.070 1.00 0.00 C ATOM 960 O GLU A 64 -5.857 -0.962 4.496 1.00 0.00 O ATOM 961 CB GLU A 64 -8.466 0.390 2.960 1.00 0.00 C ATOM 962 CG GLU A 64 -8.558 -1.095 2.528 1.00 0.00 C ATOM 963 CD GLU A 64 -9.174 -2.017 3.604 1.00 0.00 C ATOM 964 OE1 GLU A 64 -10.418 -2.093 3.697 1.00 0.00 O ATOM 965 OE2 GLU A 64 -8.424 -2.678 4.355 1.00 0.00 O ATOM 0 H GLU A 64 -8.061 2.666 3.821 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.075 0.114 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.476 0.769 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.033 0.964 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.155 -1.163 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.559 -1.455 2.282 1.00 0.00 H new ATOM 972 N LEU A 65 -5.335 0.987 3.456 1.00 0.00 N ATOM 973 CA LEU A 65 -3.930 0.652 3.138 1.00 0.00 C ATOM 974 C LEU A 65 -3.107 0.523 4.425 1.00 0.00 C ATOM 975 O LEU A 65 -2.328 -0.410 4.573 1.00 0.00 O ATOM 976 CB LEU A 65 -3.321 1.734 2.202 1.00 0.00 C ATOM 977 CG LEU A 65 -1.847 1.517 1.715 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.690 0.201 0.908 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.357 2.730 0.891 1.00 0.00 C ATOM 0 H LEU A 65 -5.604 1.926 3.163 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.905 -0.307 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.958 1.816 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.368 2.692 2.719 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.222 1.427 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.653 0.091 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.969 -0.646 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.337 0.232 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.332 2.557 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.999 2.861 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.394 3.628 1.508 1.00 0.00 H new ATOM 991 N SER A 66 -3.316 1.468 5.356 1.00 0.00 N ATOM 992 CA SER A 66 -2.643 1.479 6.666 1.00 0.00 C ATOM 993 C SER A 66 -3.072 0.277 7.508 1.00 0.00 C ATOM 994 O SER A 66 -2.238 -0.380 8.135 1.00 0.00 O ATOM 995 CB SER A 66 -2.948 2.796 7.412 1.00 0.00 C ATOM 996 OG SER A 66 -2.287 2.846 8.667 1.00 0.00 O ATOM 0 H SER A 66 -3.959 2.249 5.221 1.00 0.00 H new ATOM 0 HA SER A 66 -1.568 1.411 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.636 3.643 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.024 2.890 7.562 1.00 0.00 H new ATOM 0 HG SER A 66 -2.460 3.711 9.094 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.385 -0.002 7.481 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.995 -1.137 8.186 1.00 0.00 C ATOM 1004 C LEU A 67 -4.462 -2.476 7.623 1.00 0.00 C ATOM 1005 O LEU A 67 -4.230 -3.438 8.376 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.539 -1.058 8.040 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.367 -2.078 8.878 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.218 -1.816 10.398 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.850 -2.085 8.440 1.00 0.00 C ATOM 0 H LEU A 67 -5.059 0.561 6.963 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.731 -1.090 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.857 -0.052 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.790 -1.196 6.988 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.965 -3.072 8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.808 -2.545 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.170 -1.907 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.571 -0.811 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.404 -2.806 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.276 -1.092 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.917 -2.363 7.388 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.243 -2.496 6.292 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.787 -3.686 5.557 1.00 0.00 C ATOM 1023 C LYS A 68 -2.327 -4.001 5.906 1.00 0.00 C ATOM 1024 O LYS A 68 -1.987 -5.132 6.264 1.00 0.00 O ATOM 1025 CB LYS A 68 -3.925 -3.462 4.025 1.00 0.00 C ATOM 1026 CG LYS A 68 -3.843 -4.749 3.175 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.062 -5.674 3.385 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.398 -5.011 2.978 1.00 0.00 C ATOM 1029 NZ LYS A 68 -7.575 -5.840 3.362 1.00 0.00 N ATOM 0 H LYS A 68 -4.380 -1.679 5.696 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.412 -4.530 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.879 -2.972 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.142 -2.777 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.772 -4.481 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.932 -5.291 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.924 -6.586 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.113 -5.968 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.475 -4.032 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.407 -4.846 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.449 -5.358 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.516 -6.765 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.582 -5.976 4.393 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.477 -2.966 5.798 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.047 -3.060 6.114 1.00 0.00 C ATOM 1045 C LEU A 69 0.157 -3.462 7.582 1.00 0.00 C ATOM 1046 O LEU A 69 1.043 -4.248 7.886 1.00 0.00 O ATOM 1047 CB LEU A 69 0.673 -1.715 5.822 1.00 0.00 C ATOM 1048 CG LEU A 69 0.683 -1.238 4.334 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.388 0.125 4.191 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.315 -2.288 3.394 1.00 0.00 C ATOM 0 H LEU A 69 -1.766 -2.038 5.488 1.00 0.00 H new ATOM 0 HA LEU A 69 0.389 -3.830 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.203 -0.939 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.706 -1.801 6.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.357 -1.116 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.379 0.431 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.865 0.870 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.419 0.040 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.301 -1.915 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.345 -2.475 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.746 -3.216 3.450 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.700 -2.920 8.462 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.620 -3.113 9.923 1.00 0.00 C ATOM 1064 C ARG A 70 -0.712 -4.599 10.319 1.00 0.00 C ATOM 1065 O ARG A 70 0.169 -5.109 11.025 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.723 -2.274 10.618 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.783 -2.398 12.163 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.548 -1.236 12.815 1.00 0.00 C ATOM 1069 NE ARG A 70 -1.824 0.041 12.629 1.00 0.00 N ATOM 1070 CZ ARG A 70 -2.334 1.174 12.118 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -3.603 1.251 11.749 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -1.554 2.233 11.996 1.00 0.00 N ATOM 0 H ARG A 70 -1.479 -2.327 8.177 1.00 0.00 H new ATOM 0 HA ARG A 70 0.357 -2.767 10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.574 -1.225 10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.690 -2.568 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.262 -3.340 12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.769 -2.431 12.562 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.544 -1.161 12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.679 -1.433 13.879 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.845 0.063 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.214 0.440 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.970 2.121 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.578 2.184 12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.928 3.100 11.610 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.772 -5.295 9.860 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.969 -6.722 10.185 1.00 0.00 C ATOM 1088 C LYS A 71 -1.188 -7.620 9.209 1.00 0.00 C ATOM 1089 O LYS A 71 -0.264 -8.336 9.609 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.473 -7.117 10.167 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.375 -6.351 11.160 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.746 -7.052 11.368 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.740 -6.226 12.197 1.00 0.00 C ATOM 1094 NZ LYS A 71 -7.191 -5.008 11.475 1.00 0.00 N ATOM 0 H LYS A 71 -2.500 -4.895 9.267 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.588 -6.872 11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.859 -6.962 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.553 -8.183 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.864 -6.263 12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.539 -5.338 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.187 -7.265 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.583 -8.011 11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.605 -6.842 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.274 -5.937 13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.947 -4.543 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.391 -4.353 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.551 -5.274 10.536 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.565 -7.542 7.920 1.00 0.00 N ATOM 1109 CA GLU A 72 -1.149 -8.504 6.877 1.00 0.00 C ATOM 1110 C GLU A 72 0.372 -8.449 6.604 1.00 0.00 C ATOM 1111 O GLU A 72 1.043 -9.492 6.570 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.977 -8.223 5.594 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.790 -9.217 4.432 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.784 -8.967 3.280 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.918 -9.497 3.337 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.454 -8.217 2.338 1.00 0.00 O ATOM 0 H GLU A 72 -2.173 -6.803 7.567 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.347 -9.518 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.033 -8.207 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.725 -7.225 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.771 -9.141 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.916 -10.234 4.803 1.00 0.00 H new ATOM 1123 N PHE A 73 0.912 -7.231 6.430 1.00 0.00 N ATOM 1124 CA PHE A 73 2.350 -7.016 6.135 1.00 0.00 C ATOM 1125 C PHE A 73 3.179 -6.825 7.426 1.00 0.00 C ATOM 1126 O PHE A 73 4.400 -7.018 7.411 1.00 0.00 O ATOM 1127 CB PHE A 73 2.532 -5.797 5.185 1.00 0.00 C ATOM 1128 CG PHE A 73 1.939 -6.006 3.786 1.00 0.00 C ATOM 1129 CD1 PHE A 73 0.568 -5.862 3.554 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.753 -6.352 2.703 1.00 0.00 C ATOM 1131 CE1 PHE A 73 0.038 -6.050 2.293 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.219 -6.540 1.439 1.00 0.00 C ATOM 1133 CZ PHE A 73 0.860 -6.392 1.236 1.00 0.00 C ATOM 0 H PHE A 73 0.372 -6.368 6.488 1.00 0.00 H new ATOM 0 HA PHE A 73 2.722 -7.912 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.067 -4.922 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.596 -5.579 5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.086 -5.600 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.815 -6.475 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.023 -5.929 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.864 -6.802 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.441 -6.543 0.252 1.00 0.00 H new ATOM 1143 N GLY A 74 2.506 -6.448 8.536 1.00 0.00 N ATOM 1144 CA GLY A 74 3.172 -6.182 9.825 1.00 0.00 C ATOM 1145 C GLY A 74 3.793 -4.782 9.926 1.00 0.00 C ATOM 1146 O GLY A 74 4.391 -4.434 10.951 1.00 0.00 O ATOM 0 H GLY A 74 1.494 -6.321 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.447 -6.306 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.952 -6.927 9.980 1.00 0.00 H new ATOM 1150 N VAL A 75 3.645 -3.983 8.852 1.00 0.00 N ATOM 1151 CA VAL A 75 4.215 -2.629 8.740 1.00 0.00 C ATOM 1152 C VAL A 75 3.219 -1.588 9.308 1.00 0.00 C ATOM 1153 O VAL A 75 2.177 -1.320 8.704 1.00 0.00 O ATOM 1154 CB VAL A 75 4.553 -2.314 7.229 1.00 0.00 C ATOM 1155 CG1 VAL A 75 5.125 -0.894 7.042 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.519 -3.382 6.649 1.00 0.00 C ATOM 0 H VAL A 75 3.118 -4.266 8.026 1.00 0.00 H new ATOM 0 HA VAL A 75 5.136 -2.575 9.320 1.00 0.00 H new ATOM 0 HB VAL A 75 3.616 -2.354 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.341 -0.725 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.396 -0.160 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.043 -0.792 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.739 -3.146 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.445 -3.385 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.052 -4.365 6.708 1.00 0.00 H new ATOM 1166 N THR A 76 3.548 -1.011 10.473 1.00 0.00 N ATOM 1167 CA THR A 76 2.666 -0.056 11.181 1.00 0.00 C ATOM 1168 C THR A 76 3.463 1.182 11.637 1.00 0.00 C ATOM 1169 O THR A 76 4.699 1.174 11.619 1.00 0.00 O ATOM 1170 CB THR A 76 1.969 -0.748 12.402 1.00 0.00 C ATOM 1171 OG1 THR A 76 1.106 0.183 13.070 1.00 0.00 O ATOM 1172 CG2 THR A 76 2.987 -1.328 13.408 1.00 0.00 C ATOM 0 H THR A 76 4.429 -1.189 10.954 1.00 0.00 H new ATOM 0 HA THR A 76 1.891 0.273 10.489 1.00 0.00 H new ATOM 0 HB THR A 76 1.385 -1.580 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.799 -0.205 13.916 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.454 -1.797 14.235 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.608 -2.072 12.909 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.618 -0.526 13.791 1.00 0.00 H new ATOM 1180 N GLY A 77 2.737 2.247 12.039 1.00 0.00 N ATOM 1181 CA GLY A 77 3.353 3.519 12.436 1.00 0.00 C ATOM 1182 C GLY A 77 3.872 4.314 11.241 1.00 0.00 C ATOM 1183 O GLY A 77 4.680 5.238 11.399 1.00 0.00 O ATOM 0 H GLY A 77 1.719 2.245 12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.622 4.119 12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.176 3.322 13.123 1.00 0.00 H new ATOM 1187 N VAL A 78 3.376 3.954 10.050 1.00 0.00 N ATOM 1188 CA VAL A 78 3.769 4.560 8.764 1.00 0.00 C ATOM 1189 C VAL A 78 2.613 5.394 8.182 1.00 0.00 C ATOM 1190 O VAL A 78 2.655 5.777 7.019 1.00 0.00 O ATOM 1191 CB VAL A 78 4.201 3.432 7.738 1.00 0.00 C ATOM 1192 CG1 VAL A 78 5.471 2.701 8.226 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.051 2.416 7.476 1.00 0.00 C ATOM 0 H VAL A 78 2.676 3.219 9.948 1.00 0.00 H new ATOM 0 HA VAL A 78 4.617 5.222 8.939 1.00 0.00 H new ATOM 0 HB VAL A 78 4.426 3.925 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.748 1.932 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.287 3.416 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.275 2.238 9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.388 1.660 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.769 1.936 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.189 2.941 7.064 1.00 0.00 H new ATOM 1203 N ASP A 79 1.619 5.707 9.036 1.00 0.00 N ATOM 1204 CA ASP A 79 0.352 6.366 8.649 1.00 0.00 C ATOM 1205 C ASP A 79 0.596 7.734 7.971 1.00 0.00 C ATOM 1206 O ASP A 79 -0.005 8.049 6.932 1.00 0.00 O ATOM 1207 CB ASP A 79 -0.547 6.557 9.902 1.00 0.00 C ATOM 1208 CG ASP A 79 -0.889 5.251 10.650 1.00 0.00 C ATOM 1209 OD1 ASP A 79 0.038 4.607 11.204 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -2.082 4.870 10.710 1.00 0.00 O ATOM 0 H ASP A 79 1.674 5.506 10.034 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.148 5.721 7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.046 7.236 10.593 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.475 7.040 9.597 1.00 0.00 H new ATOM 1215 N ASP A 80 1.498 8.523 8.581 1.00 0.00 N ATOM 1216 CA ASP A 80 1.884 9.856 8.077 1.00 0.00 C ATOM 1217 C ASP A 80 2.667 9.733 6.761 1.00 0.00 C ATOM 1218 O ASP A 80 2.498 10.542 5.856 1.00 0.00 O ATOM 1219 CB ASP A 80 2.725 10.621 9.135 1.00 0.00 C ATOM 1220 CG ASP A 80 1.956 10.859 10.451 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.097 11.766 10.497 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.207 10.143 11.442 1.00 0.00 O ATOM 0 H ASP A 80 1.981 8.255 9.438 1.00 0.00 H new ATOM 0 HA ASP A 80 0.972 10.422 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.634 10.057 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.035 11.581 8.722 1.00 0.00 H new ATOM 1227 N GLU A 81 3.496 8.686 6.661 1.00 0.00 N ATOM 1228 CA GLU A 81 4.299 8.404 5.456 1.00 0.00 C ATOM 1229 C GLU A 81 3.405 7.920 4.288 1.00 0.00 C ATOM 1230 O GLU A 81 3.730 8.134 3.116 1.00 0.00 O ATOM 1231 CB GLU A 81 5.379 7.354 5.802 1.00 0.00 C ATOM 1232 CG GLU A 81 6.342 7.785 6.935 1.00 0.00 C ATOM 1233 CD GLU A 81 7.366 6.701 7.312 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.030 5.826 8.131 1.00 0.00 O ATOM 1235 OE2 GLU A 81 8.504 6.713 6.785 1.00 0.00 O ATOM 0 H GLU A 81 3.632 8.008 7.411 1.00 0.00 H new ATOM 0 HA GLU A 81 4.784 9.323 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.887 6.425 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.962 7.140 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.874 8.685 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.759 8.046 7.818 1.00 0.00 H new ATOM 1242 N LEU A 82 2.268 7.288 4.637 1.00 0.00 N ATOM 1243 CA LEU A 82 1.245 6.853 3.664 1.00 0.00 C ATOM 1244 C LEU A 82 0.443 8.053 3.141 1.00 0.00 C ATOM 1245 O LEU A 82 -0.105 8.018 2.032 1.00 0.00 O ATOM 1246 CB LEU A 82 0.303 5.805 4.298 1.00 0.00 C ATOM 1247 CG LEU A 82 0.965 4.436 4.635 1.00 0.00 C ATOM 1248 CD1 LEU A 82 0.007 3.529 5.420 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.469 3.729 3.363 1.00 0.00 C ATOM 0 H LEU A 82 2.032 7.064 5.604 1.00 0.00 H new ATOM 0 HA LEU A 82 1.755 6.391 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.116 6.223 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.530 5.630 3.617 1.00 0.00 H new ATOM 0 HG LEU A 82 1.827 4.640 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.500 2.582 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.273 4.017 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.887 3.343 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.926 2.777 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.631 3.552 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.208 4.358 2.866 1.00 0.00 H new ATOM 1261 N ASP A 83 0.367 9.100 3.971 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.203 10.392 3.577 1.00 0.00 C ATOM 1263 C ASP A 83 0.754 11.124 2.607 1.00 0.00 C ATOM 1264 O ASP A 83 0.311 11.752 1.641 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.477 11.242 4.841 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.097 12.616 4.542 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.339 12.706 4.417 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.350 13.618 4.442 1.00 0.00 O ATOM 0 H ASP A 83 0.699 9.074 4.935 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.147 10.232 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.144 10.689 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.459 11.386 5.381 1.00 0.00 H new ATOM 1273 N LEU A 84 2.070 10.982 2.868 1.00 0.00 N ATOM 1274 CA LEU A 84 3.147 11.654 2.101 1.00 0.00 C ATOM 1275 C LEU A 84 3.549 10.871 0.827 1.00 0.00 C ATOM 1276 O LEU A 84 4.612 11.133 0.246 1.00 0.00 O ATOM 1277 CB LEU A 84 4.383 11.852 3.023 1.00 0.00 C ATOM 1278 CG LEU A 84 4.147 12.719 4.297 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.395 12.739 5.204 1.00 0.00 C ATOM 1280 CD2 LEU A 84 3.688 14.150 3.932 1.00 0.00 C ATOM 0 H LEU A 84 2.421 10.393 3.623 1.00 0.00 H new ATOM 0 HA LEU A 84 2.766 12.619 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.741 10.871 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.180 12.310 2.437 1.00 0.00 H new ATOM 0 HG LEU A 84 3.340 12.254 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.196 13.352 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.634 11.723 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.238 13.156 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.533 14.726 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.452 14.633 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.755 14.101 3.371 1.00 0.00 H new ATOM 1292 N LEU A 85 2.700 9.921 0.389 1.00 0.00 N ATOM 1293 CA LEU A 85 2.938 9.150 -0.841 1.00 0.00 C ATOM 1294 C LEU A 85 2.674 10.001 -2.090 1.00 0.00 C ATOM 1295 O LEU A 85 1.609 10.619 -2.228 1.00 0.00 O ATOM 1296 CB LEU A 85 2.066 7.869 -0.874 1.00 0.00 C ATOM 1297 CG LEU A 85 2.448 6.780 0.170 1.00 0.00 C ATOM 1298 CD1 LEU A 85 1.470 5.593 0.118 1.00 0.00 C ATOM 1299 CD2 LEU A 85 3.910 6.314 -0.017 1.00 0.00 C ATOM 0 H LEU A 85 1.839 9.670 0.874 1.00 0.00 H new ATOM 0 HA LEU A 85 3.987 8.855 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.026 8.153 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.128 7.432 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 85 2.370 7.228 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.762 4.848 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.461 5.943 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.493 5.146 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.147 5.553 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.034 5.896 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.581 7.164 0.106 1.00 0.00 H new ATOM 1311 N GLU A 86 3.673 10.029 -2.978 1.00 0.00 N ATOM 1312 CA GLU A 86 3.594 10.711 -4.272 1.00 0.00 C ATOM 1313 C GLU A 86 3.134 9.716 -5.343 1.00 0.00 C ATOM 1314 O GLU A 86 2.103 9.903 -5.993 1.00 0.00 O ATOM 1315 CB GLU A 86 4.984 11.292 -4.635 1.00 0.00 C ATOM 1316 CG GLU A 86 5.546 12.284 -3.601 1.00 0.00 C ATOM 1317 CD GLU A 86 4.690 13.554 -3.460 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.675 14.372 -4.406 1.00 0.00 O ATOM 1319 OE2 GLU A 86 4.035 13.740 -2.414 1.00 0.00 O ATOM 0 H GLU A 86 4.570 9.572 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 86 2.875 11.528 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.689 10.469 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.915 11.792 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.615 11.790 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.559 12.565 -3.889 1.00 0.00 H new ATOM 1326 N THR A 87 3.925 8.638 -5.495 1.00 0.00 N ATOM 1327 CA THR A 87 3.703 7.598 -6.514 1.00 0.00 C ATOM 1328 C THR A 87 3.483 6.231 -5.853 1.00 0.00 C ATOM 1329 O THR A 87 3.704 6.058 -4.641 1.00 0.00 O ATOM 1330 CB THR A 87 4.925 7.518 -7.490 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.119 7.215 -6.755 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.124 8.829 -8.271 1.00 0.00 C ATOM 0 H THR A 87 4.742 8.464 -4.909 1.00 0.00 H new ATOM 0 HA THR A 87 2.811 7.865 -7.080 1.00 0.00 H new ATOM 0 HB THR A 87 4.717 6.726 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.879 7.165 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.982 8.730 -8.936 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.231 9.041 -8.860 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.300 9.646 -7.571 1.00 0.00 H new ATOM 1340 N VAL A 88 3.053 5.258 -6.667 1.00 0.00 N ATOM 1341 CA VAL A 88 2.905 3.863 -6.233 1.00 0.00 C ATOM 1342 C VAL A 88 4.299 3.239 -6.003 1.00 0.00 C ATOM 1343 O VAL A 88 4.483 2.417 -5.107 1.00 0.00 O ATOM 1344 CB VAL A 88 2.092 3.037 -7.290 1.00 0.00 C ATOM 1345 CG1 VAL A 88 1.856 1.586 -6.828 1.00 0.00 C ATOM 1346 CG2 VAL A 88 0.752 3.721 -7.629 1.00 0.00 C ATOM 0 H VAL A 88 2.799 5.415 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 88 2.350 3.841 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 88 2.697 3.003 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.290 1.049 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.816 1.092 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.296 1.588 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.214 3.123 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.151 3.812 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.943 4.713 -8.038 1.00 0.00 H new ATOM 1356 N ASP A 89 5.278 3.680 -6.818 1.00 0.00 N ATOM 1357 CA ASP A 89 6.696 3.290 -6.692 1.00 0.00 C ATOM 1358 C ASP A 89 7.257 3.717 -5.319 1.00 0.00 C ATOM 1359 O ASP A 89 8.009 2.969 -4.684 1.00 0.00 O ATOM 1360 CB ASP A 89 7.501 3.942 -7.843 1.00 0.00 C ATOM 1361 CG ASP A 89 8.971 3.499 -7.909 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.244 2.395 -8.432 1.00 0.00 O ATOM 1363 OD2 ASP A 89 9.858 4.246 -7.452 1.00 0.00 O ATOM 0 H ASP A 89 5.104 4.324 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 89 6.783 2.206 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.018 3.704 -8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.464 5.025 -7.730 1.00 0.00 H new ATOM 1368 N GLU A 90 6.850 4.929 -4.884 1.00 0.00 N ATOM 1369 CA GLU A 90 7.163 5.485 -3.551 1.00 0.00 C ATOM 1370 C GLU A 90 6.627 4.554 -2.434 1.00 0.00 C ATOM 1371 O GLU A 90 7.325 4.293 -1.449 1.00 0.00 O ATOM 1372 CB GLU A 90 6.534 6.907 -3.431 1.00 0.00 C ATOM 1373 CG GLU A 90 6.750 7.644 -2.088 1.00 0.00 C ATOM 1374 CD GLU A 90 8.212 8.065 -1.842 1.00 0.00 C ATOM 1375 OE1 GLU A 90 8.603 9.163 -2.306 1.00 0.00 O ATOM 1376 OE2 GLU A 90 8.973 7.314 -1.199 1.00 0.00 O ATOM 0 H GLU A 90 6.287 5.557 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 90 8.244 5.558 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.939 7.528 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.461 6.822 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.117 8.531 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.425 6.998 -1.273 1.00 0.00 H new ATOM 1383 N LEU A 91 5.383 4.053 -2.624 1.00 0.00 N ATOM 1384 CA LEU A 91 4.730 3.107 -1.687 1.00 0.00 C ATOM 1385 C LEU A 91 5.517 1.789 -1.558 1.00 0.00 C ATOM 1386 O LEU A 91 5.725 1.303 -0.439 1.00 0.00 O ATOM 1387 CB LEU A 91 3.270 2.835 -2.135 1.00 0.00 C ATOM 1388 CG LEU A 91 2.471 1.738 -1.350 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.396 2.035 0.166 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.058 1.566 -1.944 1.00 0.00 C ATOM 0 H LEU A 91 4.805 4.293 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 91 4.718 3.570 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.716 3.771 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.287 2.552 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 91 3.017 0.801 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.832 1.246 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.404 2.077 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.899 2.992 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.519 0.800 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.518 2.511 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.137 1.265 -2.989 1.00 0.00 H new ATOM 1402 N PHE A 92 5.941 1.218 -2.707 1.00 0.00 N ATOM 1403 CA PHE A 92 6.736 -0.031 -2.729 1.00 0.00 C ATOM 1404 C PHE A 92 8.050 0.133 -1.935 1.00 0.00 C ATOM 1405 O PHE A 92 8.411 -0.749 -1.158 1.00 0.00 O ATOM 1406 CB PHE A 92 7.026 -0.496 -4.189 1.00 0.00 C ATOM 1407 CG PHE A 92 5.847 -1.201 -4.879 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.562 -2.543 -4.602 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.040 -0.543 -5.807 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.505 -3.188 -5.220 1.00 0.00 C ATOM 1411 CE2 PHE A 92 3.986 -1.194 -6.421 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.721 -2.513 -6.136 1.00 0.00 C ATOM 0 H PHE A 92 5.746 1.602 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 92 6.141 -0.806 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.312 0.372 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.881 -1.172 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.176 -3.083 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.241 0.490 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.293 -4.221 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.367 -0.663 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.903 -3.020 -6.626 1.00 0.00 H new ATOM 1422 N GLN A 93 8.730 1.283 -2.114 1.00 0.00 N ATOM 1423 CA GLN A 93 9.987 1.593 -1.394 1.00 0.00 C ATOM 1424 C GLN A 93 9.740 1.787 0.115 1.00 0.00 C ATOM 1425 O GLN A 93 10.571 1.391 0.944 1.00 0.00 O ATOM 1426 CB GLN A 93 10.652 2.864 -1.977 1.00 0.00 C ATOM 1427 CG GLN A 93 11.061 2.755 -3.458 1.00 0.00 C ATOM 1428 CD GLN A 93 11.873 3.954 -3.932 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.325 4.943 -4.427 1.00 0.00 O ATOM 1430 NE2 GLN A 93 13.183 3.892 -3.740 1.00 0.00 N ATOM 0 H GLN A 93 8.430 2.018 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 93 10.655 0.742 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.964 3.702 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.537 3.098 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.644 1.846 -3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.165 2.662 -4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.599 3.057 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.775 4.679 -4.004 1.00 0.00 H new ATOM 1439 N LEU A 94 8.597 2.412 0.445 1.00 0.00 N ATOM 1440 CA LEU A 94 8.213 2.720 1.835 1.00 0.00 C ATOM 1441 C LEU A 94 8.041 1.431 2.655 1.00 0.00 C ATOM 1442 O LEU A 94 8.722 1.229 3.672 1.00 0.00 O ATOM 1443 CB LEU A 94 6.902 3.556 1.856 1.00 0.00 C ATOM 1444 CG LEU A 94 6.345 3.918 3.272 1.00 0.00 C ATOM 1445 CD1 LEU A 94 7.348 4.775 4.071 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.979 4.617 3.169 1.00 0.00 C ATOM 0 H LEU A 94 7.911 2.719 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 94 9.012 3.306 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.076 4.482 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.133 3.004 1.315 1.00 0.00 H new ATOM 0 HG LEU A 94 6.203 2.984 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.929 5.008 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.279 4.222 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.546 5.701 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.617 4.857 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.083 5.535 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.268 3.955 2.674 1.00 0.00 H new ATOM 1458 N VAL A 95 7.141 0.557 2.180 1.00 0.00 N ATOM 1459 CA VAL A 95 6.804 -0.700 2.863 1.00 0.00 C ATOM 1460 C VAL A 95 8.039 -1.623 2.934 1.00 0.00 C ATOM 1461 O VAL A 95 8.237 -2.300 3.935 1.00 0.00 O ATOM 1462 CB VAL A 95 5.602 -1.430 2.151 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.176 -2.720 2.897 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.397 -0.479 1.986 1.00 0.00 C ATOM 0 H VAL A 95 6.626 0.702 1.311 1.00 0.00 H new ATOM 0 HA VAL A 95 6.492 -0.460 3.879 1.00 0.00 H new ATOM 0 HB VAL A 95 5.952 -1.725 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.345 -3.188 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.017 -3.412 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.866 -2.468 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.581 -1.007 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.066 -0.137 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.691 0.380 1.382 1.00 0.00 H new ATOM 1474 N GLU A 96 8.880 -1.587 1.871 1.00 0.00 N ATOM 1475 CA GLU A 96 10.118 -2.395 1.760 1.00 0.00 C ATOM 1476 C GLU A 96 11.143 -2.008 2.843 1.00 0.00 C ATOM 1477 O GLU A 96 11.745 -2.884 3.483 1.00 0.00 O ATOM 1478 CB GLU A 96 10.740 -2.191 0.359 1.00 0.00 C ATOM 1479 CG GLU A 96 11.996 -3.037 0.064 1.00 0.00 C ATOM 1480 CD GLU A 96 12.675 -2.642 -1.259 1.00 0.00 C ATOM 1481 OE1 GLU A 96 12.256 -3.135 -2.326 1.00 0.00 O ATOM 1482 OE2 GLU A 96 13.615 -1.811 -1.228 1.00 0.00 O ATOM 0 H GLU A 96 8.716 -0.991 1.060 1.00 0.00 H new ATOM 0 HA GLU A 96 9.855 -3.443 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.984 -2.419 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.996 -1.138 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.707 -2.923 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.720 -4.091 0.026 1.00 0.00 H new ATOM 1489 N LYS A 97 11.326 -0.689 3.035 1.00 0.00 N ATOM 1490 CA LYS A 97 12.294 -0.145 4.005 1.00 0.00 C ATOM 1491 C LYS A 97 11.885 -0.503 5.445 1.00 0.00 C ATOM 1492 O LYS A 97 12.726 -0.874 6.262 1.00 0.00 O ATOM 1493 CB LYS A 97 12.438 1.396 3.834 1.00 0.00 C ATOM 1494 CG LYS A 97 13.495 2.073 4.752 1.00 0.00 C ATOM 1495 CD LYS A 97 14.922 1.500 4.550 1.00 0.00 C ATOM 1496 CE LYS A 97 15.955 2.111 5.516 1.00 0.00 C ATOM 1497 NZ LYS A 97 16.125 3.576 5.325 1.00 0.00 N ATOM 0 H LYS A 97 10.809 0.027 2.524 1.00 0.00 H new ATOM 0 HA LYS A 97 13.265 -0.599 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.695 1.607 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.469 1.858 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.508 3.145 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.201 1.944 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.897 0.419 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.240 1.682 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.645 1.916 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.916 1.617 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.855 3.929 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.414 3.767 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.225 4.058 5.520 1.00 0.00 H new ATOM 1511 N HIS A 98 10.578 -0.406 5.727 1.00 0.00 N ATOM 1512 CA HIS A 98 10.007 -0.719 7.057 1.00 0.00 C ATOM 1513 C HIS A 98 9.827 -2.241 7.266 1.00 0.00 C ATOM 1514 O HIS A 98 9.661 -2.701 8.403 1.00 0.00 O ATOM 1515 CB HIS A 98 8.682 0.050 7.261 1.00 0.00 C ATOM 1516 CG HIS A 98 8.873 1.541 7.401 1.00 0.00 C ATOM 1517 ND1 HIS A 98 9.083 2.151 8.613 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.890 2.537 6.486 1.00 0.00 C ATOM 1519 CE1 HIS A 98 9.230 3.442 8.435 1.00 0.00 C ATOM 1520 NE2 HIS A 98 9.119 3.706 7.155 1.00 0.00 N ATOM 0 H HIS A 98 9.882 -0.109 5.043 1.00 0.00 H new ATOM 0 HA HIS A 98 10.715 -0.388 7.817 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.022 -0.147 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.182 -0.331 8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.748 2.428 5.421 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.412 4.168 9.214 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.192 4.630 6.730 1.00 0.00 H new ATOM 1529 N ARG A 99 9.847 -3.002 6.153 1.00 0.00 N ATOM 1530 CA ARG A 99 9.812 -4.483 6.168 1.00 0.00 C ATOM 1531 C ARG A 99 11.169 -5.024 6.664 1.00 0.00 C ATOM 1532 O ARG A 99 11.226 -5.935 7.496 1.00 0.00 O ATOM 1533 CB ARG A 99 9.501 -5.007 4.737 1.00 0.00 C ATOM 1534 CG ARG A 99 9.290 -6.529 4.606 1.00 0.00 C ATOM 1535 CD ARG A 99 9.102 -6.970 3.139 1.00 0.00 C ATOM 1536 NE ARG A 99 10.326 -6.756 2.345 1.00 0.00 N ATOM 1537 CZ ARG A 99 10.388 -6.682 1.003 1.00 0.00 C ATOM 1538 NH1 ARG A 99 9.289 -6.612 0.272 1.00 0.00 N ATOM 1539 NH2 ARG A 99 11.563 -6.616 0.400 1.00 0.00 N ATOM 0 H ARG A 99 9.888 -2.607 5.213 1.00 0.00 H new ATOM 0 HA ARG A 99 9.031 -4.830 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.605 -4.503 4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.320 -4.716 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.147 -7.050 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.416 -6.824 5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.828 -8.024 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.277 -6.413 2.694 1.00 0.00 H new ATOM 0 HE ARG A 99 11.202 -6.655 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.375 -6.613 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.355 -6.556 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.421 -6.621 0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.612 -6.560 -0.617 1.00 0.00 H new ATOM 1553 N ALA A 100 12.254 -4.434 6.130 1.00 0.00 N ATOM 1554 CA ALA A 100 13.637 -4.801 6.486 1.00 0.00 C ATOM 1555 C ALA A 100 14.019 -4.172 7.840 1.00 0.00 C ATOM 1556 O ALA A 100 14.233 -4.880 8.838 1.00 0.00 O ATOM 1557 CB ALA A 100 14.593 -4.351 5.369 1.00 0.00 C ATOM 0 H ALA A 100 12.196 -3.687 5.438 1.00 0.00 H new ATOM 0 HA ALA A 100 13.715 -5.883 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.615 -4.623 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.317 -4.841 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.525 -3.270 5.246 1.00 0.00 H new ATOM 1563 N ALA A 101 14.094 -2.833 7.855 1.00 0.00 N ATOM 1564 CA ALA A 101 14.362 -2.053 9.066 1.00 0.00 C ATOM 1565 C ALA A 101 13.071 -1.941 9.894 1.00 0.00 C ATOM 1566 O ALA A 101 12.196 -1.126 9.591 1.00 0.00 O ATOM 1567 CB ALA A 101 14.916 -0.666 8.703 1.00 0.00 C ATOM 0 H ALA A 101 13.969 -2.260 7.020 1.00 0.00 H new ATOM 0 HA ALA A 101 15.119 -2.559 9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.109 -0.101 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.844 -0.780 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.188 -0.132 8.093 1.00 0.00 H new